USER MOD reduce.3.24.130724 H: found=0, std=0, add=1696, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1692 hydrogens (26 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 LYS NZ :NH3+ 171:sc= 0.206 (180deg=0.181) USER MOD Set 1.2: B 74 ASN : amide:sc= 0 X(o=0.21,f=0.32) USER MOD Set 2.1: A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0474) USER MOD Set 2.2: B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 THR OG1 : rot -17:sc= 0.231 USER MOD Set 3.2: A 19 THR OG1 : rot 80:sc= 0.697 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0024 (180deg=-0.5) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0461 (180deg=-0.169) USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.416 USER MOD Single : A 12 SER OG : rot 48:sc= 0.194 USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.244 USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.399 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -151:sc= 0.2 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0.264 (180deg=0.26) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.646 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0.208 (180deg=0.0299) USER MOD Single : A 55 SER OG : rot 28:sc= 0.544 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.000182 X(o=-0.00018,f=-0.00018) USER MOD Single : A 67 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.0042) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00697) USER MOD Single : A 99 ANW OAV : rot 179:sc= 0.507 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -176:sc= 0.0518 (180deg=0.0218) USER MOD Single : B 7 THR OG1 : rot 109:sc= 0.876 USER MOD Single : B 12 SER OG : rot 77:sc= 0.718 USER MOD Single : B 15 THR OG1 : rot 79:sc= 1.26 USER MOD Single : B 18 THR OG1 : rot -73:sc= 0.463 USER MOD Single : B 19 THR OG1 : rot 91:sc= 0.658 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.0637 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : B 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0276) USER MOD Single : B 43 THR OG1 : rot 73:sc= 0.908 USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 45 GLN : amide:sc= -0.0405 K(o=-0.04,f=-0.73) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0.426 (180deg=0.426) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl 169:sc= 0 (180deg=-0.124) USER MOD Single : B 61 LYS NZ :NH3+ -162:sc= 0.575 (180deg=0.391) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 67 GLN : amide:sc=-0.00518 X(o=-0.0052,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0231) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ 150:sc= 0.00975 (180deg=-0.93) USER MOD Single : B 90 LYS NZ :NH3+ -163:sc= -0.0222 (180deg=-0.167) USER MOD Single : B 91 LYS NZ :NH3+ -171:sc= -0.0153 (180deg=-0.0538) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.054) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 ANW OAV : rot 179:sc= 0.383! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.141 17.074 7.825 1.00 1.04 N ATOM 2 CA MET A 1 6.969 15.970 7.240 1.00 0.91 C ATOM 3 C MET A 1 7.346 14.914 8.308 1.00 0.73 C ATOM 4 O MET A 1 8.491 14.448 8.359 1.00 0.96 O ATOM 5 CB MET A 1 8.235 16.551 6.554 1.00 1.31 C ATOM 6 CG MET A 1 9.133 17.394 7.464 1.00 1.57 C ATOM 7 SD MET A 1 10.476 18.205 6.575 1.00 2.18 S ATOM 8 CE MET A 1 11.406 18.900 7.939 1.00 2.71 C ATOM 0 H1 MET A 1 6.035 17.836 7.126 1.00 1.04 H new ATOM 0 H2 MET A 1 5.203 16.706 8.081 1.00 1.04 H new ATOM 0 H3 MET A 1 6.610 17.447 8.675 1.00 1.04 H new ATOM 0 HA MET A 1 6.369 15.462 6.484 1.00 0.91 H new ATOM 0 HB2 MET A 1 8.823 15.726 6.151 1.00 1.31 H new ATOM 0 HB3 MET A 1 7.923 17.163 5.708 1.00 1.31 H new ATOM 0 HG2 MET A 1 8.527 18.150 7.964 1.00 1.57 H new ATOM 0 HG3 MET A 1 9.553 16.757 8.242 1.00 1.57 H new ATOM 0 HE1 MET A 1 12.418 19.134 7.608 1.00 2.71 H new ATOM 0 HE2 MET A 1 10.918 19.811 8.286 1.00 2.71 H new ATOM 0 HE3 MET A 1 11.449 18.178 8.755 1.00 2.71 H new ATOM 20 N ALA A 2 6.360 14.526 9.142 1.00 0.77 N ATOM 21 CA ALA A 2 6.566 13.536 10.208 1.00 0.71 C ATOM 22 C ALA A 2 5.331 12.641 10.375 1.00 0.59 C ATOM 23 O ALA A 2 4.202 13.074 10.108 1.00 0.68 O ATOM 24 CB ALA A 2 6.888 14.244 11.523 1.00 1.02 C ATOM 0 H ALA A 2 5.408 14.889 9.093 1.00 0.77 H new ATOM 0 HA ALA A 2 7.407 12.902 9.928 1.00 0.71 H new ATOM 0 HB1 ALA A 2 7.039 13.503 12.308 1.00 1.02 H new ATOM 0 HB2 ALA A 2 7.795 14.837 11.404 1.00 1.02 H new ATOM 0 HB3 ALA A 2 6.060 14.898 11.796 1.00 1.02 H new ATOM 30 N ALA A 3 5.552 11.391 10.822 1.00 0.56 N ATOM 31 CA ALA A 3 4.463 10.430 11.040 1.00 0.54 C ATOM 32 C ALA A 3 3.820 10.658 12.418 1.00 0.55 C ATOM 33 O ALA A 3 4.429 10.349 13.449 1.00 0.70 O ATOM 34 CB ALA A 3 4.992 9.001 10.907 1.00 0.66 C ATOM 0 H ALA A 3 6.479 11.025 11.039 1.00 0.56 H new ATOM 0 HA ALA A 3 3.695 10.581 10.282 1.00 0.54 H new ATOM 0 HB1 ALA A 3 4.178 8.295 11.070 1.00 0.66 H new ATOM 0 HB2 ALA A 3 5.403 8.857 9.908 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.773 8.832 11.648 1.00 0.66 H new ATOM 40 N GLU A 4 2.595 11.222 12.424 1.00 0.52 N ATOM 41 CA GLU A 4 1.861 11.512 13.668 1.00 0.55 C ATOM 42 C GLU A 4 0.706 10.503 13.854 1.00 0.52 C ATOM 43 O GLU A 4 -0.076 10.308 12.920 1.00 0.50 O ATOM 44 CB GLU A 4 1.324 12.957 13.633 1.00 0.61 C ATOM 45 CG GLU A 4 0.923 13.512 14.998 1.00 0.74 C ATOM 46 CD GLU A 4 0.319 14.902 14.909 1.00 0.86 C ATOM 47 OE1 GLU A 4 1.091 15.878 14.801 1.00 1.02 O ATOM 48 OE2 GLU A 4 -0.924 15.013 14.948 1.00 0.94 O ATOM 0 H GLU A 4 2.093 11.486 11.576 1.00 0.52 H new ATOM 0 HA GLU A 4 2.539 11.413 14.515 1.00 0.55 H new ATOM 0 HB2 GLU A 4 2.086 13.605 13.200 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.459 12.995 12.970 1.00 0.61 H new ATOM 0 HG2 GLU A 4 0.205 12.837 15.464 1.00 0.74 H new ATOM 0 HG3 GLU A 4 1.799 13.541 15.646 1.00 0.74 H new ATOM 55 N PRO A 5 0.570 9.844 15.058 1.00 0.57 N ATOM 56 CA PRO A 5 -0.502 8.847 15.313 1.00 0.59 C ATOM 57 C PRO A 5 -1.933 9.378 15.070 1.00 0.53 C ATOM 58 O PRO A 5 -2.324 10.407 15.629 1.00 0.59 O ATOM 59 CB PRO A 5 -0.303 8.474 16.794 1.00 0.74 C ATOM 60 CG PRO A 5 1.126 8.782 17.075 1.00 0.73 C ATOM 61 CD PRO A 5 1.449 9.993 16.249 1.00 0.67 C ATOM 0 HA PRO A 5 -0.420 8.006 14.624 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -0.966 9.050 17.440 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.523 7.421 16.970 1.00 0.74 H new ATOM 0 HG2 PRO A 5 1.283 8.978 18.136 1.00 0.73 H new ATOM 0 HG3 PRO A 5 1.768 7.943 16.807 1.00 0.73 H new ATOM 0 HD2 PRO A 5 1.239 10.916 16.790 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.502 10.020 15.970 1.00 0.67 H new ATOM 69 N LEU A 6 -2.699 8.651 14.225 1.00 0.58 N ATOM 70 CA LEU A 6 -4.097 8.994 13.879 1.00 0.67 C ATOM 71 C LEU A 6 -5.020 7.778 14.176 1.00 0.71 C ATOM 72 O LEU A 6 -4.608 6.865 14.900 1.00 1.19 O ATOM 73 CB LEU A 6 -4.157 9.406 12.383 1.00 0.84 C ATOM 74 CG LEU A 6 -3.400 10.701 11.996 1.00 0.91 C ATOM 75 CD1 LEU A 6 -3.341 10.868 10.473 1.00 1.14 C ATOM 76 CD2 LEU A 6 -4.038 11.932 12.653 1.00 1.03 C ATOM 0 H LEU A 6 -2.363 7.806 13.762 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.447 9.832 14.482 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -3.758 8.586 11.786 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -5.204 9.525 12.103 1.00 0.84 H new ATOM 0 HG LEU A 6 -2.379 10.612 12.368 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -2.804 11.785 10.228 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -2.823 10.016 10.033 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -4.354 10.923 10.073 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -3.486 12.826 12.364 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -5.074 12.023 12.326 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -4.008 11.822 13.737 1.00 1.03 H new ATOM 88 N THR A 7 -6.271 7.763 13.633 1.00 0.52 N ATOM 89 CA THR A 7 -7.227 6.637 13.840 1.00 0.52 C ATOM 90 C THR A 7 -6.608 5.278 13.404 1.00 0.49 C ATOM 91 O THR A 7 -5.650 5.260 12.637 1.00 0.56 O ATOM 92 CB THR A 7 -8.570 6.892 13.077 1.00 0.58 C ATOM 93 OG1 THR A 7 -8.991 8.254 13.269 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.697 5.968 13.551 1.00 0.94 C ATOM 0 H THR A 7 -6.639 8.515 13.051 1.00 0.52 H new ATOM 0 HA THR A 7 -7.440 6.585 14.908 1.00 0.52 H new ATOM 0 HB THR A 7 -8.377 6.687 12.024 1.00 0.58 H new ATOM 0 HG1 THR A 7 -8.793 8.774 12.462 1.00 0.98 H new ATOM 0 HG21 THR A 7 -10.606 6.186 12.990 1.00 0.94 H new ATOM 0 HG22 THR A 7 -9.409 4.930 13.387 1.00 0.94 H new ATOM 0 HG23 THR A 7 -9.878 6.131 14.613 1.00 0.94 H new ATOM 102 N GLU A 8 -7.168 4.153 13.912 1.00 0.51 N ATOM 103 CA GLU A 8 -6.678 2.769 13.629 1.00 0.50 C ATOM 104 C GLU A 8 -6.181 2.536 12.176 1.00 0.46 C ATOM 105 O GLU A 8 -5.024 2.141 11.986 1.00 0.48 O ATOM 106 CB GLU A 8 -7.770 1.730 13.980 1.00 0.55 C ATOM 107 CG GLU A 8 -7.253 0.291 14.092 1.00 0.91 C ATOM 108 CD GLU A 8 -8.366 -0.738 14.130 1.00 0.95 C ATOM 109 OE1 GLU A 8 -8.880 -1.016 15.233 1.00 1.42 O ATOM 110 OE2 GLU A 8 -8.724 -1.261 13.055 1.00 1.14 O ATOM 0 H GLU A 8 -7.977 4.174 14.533 1.00 0.51 H new ATOM 0 HA GLU A 8 -5.803 2.641 14.266 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.234 2.012 14.925 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.549 1.766 13.218 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -6.599 0.079 13.246 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.648 0.197 14.994 1.00 0.91 H new ATOM 117 N LEU A 9 -7.044 2.767 11.161 1.00 0.45 N ATOM 118 CA LEU A 9 -6.658 2.553 9.741 1.00 0.44 C ATOM 119 C LEU A 9 -5.659 3.610 9.246 1.00 0.42 C ATOM 120 O LEU A 9 -4.832 3.314 8.376 1.00 0.43 O ATOM 121 CB LEU A 9 -7.893 2.493 8.818 1.00 0.48 C ATOM 122 CG LEU A 9 -8.816 1.265 9.017 1.00 0.56 C ATOM 123 CD1 LEU A 9 -10.064 1.376 8.145 1.00 0.65 C ATOM 124 CD2 LEU A 9 -8.075 -0.052 8.736 1.00 0.65 C ATOM 0 H LEU A 9 -8.000 3.097 11.292 1.00 0.45 H new ATOM 0 HA LEU A 9 -6.158 1.585 9.699 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -8.483 3.397 8.970 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -7.552 2.505 7.783 1.00 0.48 H new ATOM 0 HG LEU A 9 -9.124 1.255 10.062 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.697 0.502 8.302 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -10.616 2.277 8.413 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -9.772 1.428 7.096 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -8.755 -0.891 8.886 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -7.716 -0.055 7.707 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.228 -0.145 9.416 1.00 0.65 H new ATOM 136 N GLU A 10 -5.743 4.842 9.789 1.00 0.42 N ATOM 137 CA GLU A 10 -4.801 5.921 9.433 1.00 0.44 C ATOM 138 C GLU A 10 -3.419 5.645 10.072 1.00 0.44 C ATOM 139 O GLU A 10 -2.390 6.045 9.524 1.00 0.48 O ATOM 140 CB GLU A 10 -5.336 7.297 9.885 1.00 0.49 C ATOM 141 CG GLU A 10 -6.626 7.725 9.188 1.00 0.54 C ATOM 142 CD GLU A 10 -7.181 9.033 9.722 1.00 0.63 C ATOM 143 OE1 GLU A 10 -6.667 10.101 9.329 1.00 1.03 O ATOM 144 OE2 GLU A 10 -8.126 8.988 10.537 1.00 0.96 O ATOM 0 H GLU A 10 -6.450 5.113 10.472 1.00 0.42 H new ATOM 0 HA GLU A 10 -4.696 5.942 8.348 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -5.508 7.272 10.961 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -4.570 8.050 9.702 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -6.439 7.825 8.119 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -7.375 6.942 9.309 1.00 0.54 H new ATOM 151 N GLU A 11 -3.422 4.957 11.242 1.00 0.44 N ATOM 152 CA GLU A 11 -2.192 4.591 11.966 1.00 0.46 C ATOM 153 C GLU A 11 -1.519 3.335 11.357 1.00 0.45 C ATOM 154 O GLU A 11 -0.341 3.081 11.629 1.00 0.47 O ATOM 155 CB GLU A 11 -2.499 4.360 13.463 1.00 0.52 C ATOM 156 CG GLU A 11 -1.265 4.361 14.370 1.00 0.61 C ATOM 157 CD GLU A 11 -1.602 4.139 15.835 1.00 0.69 C ATOM 158 OE1 GLU A 11 -1.665 2.966 16.260 1.00 0.81 O ATOM 159 OE2 GLU A 11 -1.799 5.140 16.557 1.00 0.79 O ATOM 0 H GLU A 11 -4.277 4.645 11.703 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.493 5.421 11.868 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -3.186 5.134 13.804 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -3.014 3.406 13.573 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.578 3.582 14.039 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.744 5.312 14.263 1.00 0.61 H new ATOM 166 N SER A 12 -2.266 2.552 10.533 1.00 0.45 N ATOM 167 CA SER A 12 -1.726 1.335 9.884 1.00 0.47 C ATOM 168 C SER A 12 -0.490 1.656 9.028 1.00 0.44 C ATOM 169 O SER A 12 0.526 0.964 9.122 1.00 0.49 O ATOM 170 CB SER A 12 -2.804 0.656 9.022 1.00 0.52 C ATOM 171 OG SER A 12 -3.901 0.239 9.815 1.00 0.63 O ATOM 0 H SER A 12 -3.241 2.745 10.305 1.00 0.45 H new ATOM 0 HA SER A 12 -1.422 0.649 10.675 1.00 0.47 H new ATOM 0 HB2 SER A 12 -3.149 1.348 8.253 1.00 0.52 H new ATOM 0 HB3 SER A 12 -2.375 -0.204 8.508 1.00 0.52 H new ATOM 0 HG SER A 12 -4.174 0.971 10.407 1.00 0.63 H new ATOM 177 N ILE A 13 -0.585 2.716 8.202 1.00 0.42 N ATOM 178 CA ILE A 13 0.535 3.156 7.345 1.00 0.43 C ATOM 179 C ILE A 13 1.475 4.143 8.085 1.00 0.41 C ATOM 180 O ILE A 13 2.573 4.420 7.605 1.00 0.46 O ATOM 181 CB ILE A 13 0.054 3.778 5.977 1.00 0.47 C ATOM 182 CG1 ILE A 13 -1.007 4.907 6.137 1.00 0.46 C ATOM 183 CG2 ILE A 13 -0.503 2.682 5.068 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.490 6.222 6.690 1.00 0.44 C ATOM 0 H ILE A 13 -1.427 3.285 8.110 1.00 0.42 H new ATOM 0 HA ILE A 13 1.098 2.253 7.110 1.00 0.43 H new ATOM 0 HB ILE A 13 0.936 4.238 5.530 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -1.459 5.096 5.163 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.800 4.545 6.792 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -0.832 3.122 4.127 1.00 0.56 H new ATOM 0 HG22 ILE A 13 0.274 1.943 4.871 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.348 2.198 5.557 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.311 6.935 6.760 1.00 0.44 H new ATOM 0 HD12 ILE A 13 -0.066 6.059 7.681 1.00 0.44 H new ATOM 0 HD13 ILE A 13 0.279 6.618 6.027 1.00 0.44 H new ATOM 196 N GLU A 14 1.033 4.659 9.257 1.00 0.39 N ATOM 197 CA GLU A 14 1.820 5.607 10.077 1.00 0.40 C ATOM 198 C GLU A 14 2.958 4.888 10.828 1.00 0.41 C ATOM 199 O GLU A 14 4.078 5.404 10.885 1.00 0.44 O ATOM 200 CB GLU A 14 0.875 6.323 11.068 1.00 0.43 C ATOM 201 CG GLU A 14 1.471 7.510 11.835 1.00 0.52 C ATOM 202 CD GLU A 14 2.211 7.108 13.106 1.00 0.61 C ATOM 203 OE1 GLU A 14 1.576 6.511 14.002 1.00 0.93 O ATOM 204 OE2 GLU A 14 3.419 7.398 13.206 1.00 1.00 O ATOM 0 H GLU A 14 0.124 4.430 9.658 1.00 0.39 H new ATOM 0 HA GLU A 14 2.283 6.343 9.420 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.003 6.675 10.517 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.520 5.590 11.793 1.00 0.43 H new ATOM 0 HG2 GLU A 14 2.157 8.047 11.180 1.00 0.52 H new ATOM 0 HG3 GLU A 14 0.670 8.203 12.095 1.00 0.52 H new ATOM 211 N THR A 15 2.663 3.697 11.398 1.00 0.42 N ATOM 212 CA THR A 15 3.662 2.898 12.142 1.00 0.45 C ATOM 213 C THR A 15 4.817 2.422 11.225 1.00 0.43 C ATOM 214 O THR A 15 5.932 2.188 11.703 1.00 0.45 O ATOM 215 CB THR A 15 2.995 1.684 12.855 1.00 0.50 C ATOM 216 OG1 THR A 15 1.851 2.129 13.605 1.00 0.65 O ATOM 217 CG2 THR A 15 3.960 0.974 13.809 1.00 0.77 C ATOM 0 H THR A 15 1.739 3.268 11.356 1.00 0.42 H new ATOM 0 HA THR A 15 4.090 3.551 12.903 1.00 0.45 H new ATOM 0 HB THR A 15 2.698 0.978 12.079 1.00 0.50 H new ATOM 0 HG1 THR A 15 1.125 2.358 12.988 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.451 0.135 14.283 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.821 0.608 13.250 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.296 1.674 14.574 1.00 0.77 H new ATOM 225 N VAL A 16 4.540 2.282 9.909 1.00 0.41 N ATOM 226 CA VAL A 16 5.557 1.874 8.914 1.00 0.42 C ATOM 227 C VAL A 16 6.545 3.042 8.632 1.00 0.42 C ATOM 228 O VAL A 16 7.708 2.800 8.280 1.00 0.46 O ATOM 229 CB VAL A 16 4.885 1.397 7.577 1.00 0.44 C ATOM 230 CG1 VAL A 16 5.918 0.987 6.516 1.00 0.50 C ATOM 231 CG2 VAL A 16 3.913 0.239 7.841 1.00 0.49 C ATOM 0 H VAL A 16 3.616 2.447 9.510 1.00 0.41 H new ATOM 0 HA VAL A 16 6.114 1.035 9.332 1.00 0.42 H new ATOM 0 HB VAL A 16 4.331 2.249 7.182 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.402 0.665 5.611 1.00 0.50 H new ATOM 0 HG12 VAL A 16 6.560 1.837 6.285 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.526 0.167 6.898 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.459 -0.076 6.902 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.455 -0.598 8.280 1.00 0.49 H new ATOM 0 HG23 VAL A 16 3.134 0.568 8.529 1.00 0.49 H new ATOM 241 N VAL A 17 6.070 4.299 8.799 1.00 0.42 N ATOM 242 CA VAL A 17 6.892 5.512 8.579 1.00 0.47 C ATOM 243 C VAL A 17 7.618 5.960 9.897 1.00 0.55 C ATOM 244 O VAL A 17 8.188 7.055 9.957 1.00 0.95 O ATOM 245 CB VAL A 17 6.002 6.679 7.988 1.00 0.51 C ATOM 246 CG1 VAL A 17 6.826 7.914 7.604 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.207 6.201 6.764 1.00 0.52 C ATOM 0 H VAL A 17 5.113 4.500 9.088 1.00 0.42 H new ATOM 0 HA VAL A 17 7.667 5.270 7.852 1.00 0.47 H new ATOM 0 HB VAL A 17 5.315 6.966 8.784 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.165 8.683 7.204 1.00 0.60 H new ATOM 0 HG12 VAL A 17 7.338 8.298 8.486 1.00 0.60 H new ATOM 0 HG13 VAL A 17 7.562 7.640 6.848 1.00 0.60 H new ATOM 0 HG21 VAL A 17 4.604 7.023 6.378 1.00 0.52 H new ATOM 0 HG22 VAL A 17 5.897 5.863 5.991 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.555 5.377 7.053 1.00 0.52 H new ATOM 257 N THR A 18 7.617 5.094 10.944 1.00 0.47 N ATOM 258 CA THR A 18 8.278 5.398 12.234 1.00 0.51 C ATOM 259 C THR A 18 9.307 4.320 12.619 1.00 0.51 C ATOM 260 O THR A 18 10.432 4.647 13.006 1.00 0.60 O ATOM 261 CB THR A 18 7.250 5.528 13.393 1.00 0.56 C ATOM 262 OG1 THR A 18 6.412 4.363 13.456 1.00 0.57 O ATOM 263 CG2 THR A 18 6.380 6.767 13.230 1.00 0.62 C ATOM 0 H THR A 18 7.165 4.180 10.917 1.00 0.47 H new ATOM 0 HA THR A 18 8.787 6.351 12.090 1.00 0.51 H new ATOM 0 HB THR A 18 7.816 5.621 14.320 1.00 0.56 H new ATOM 0 HG1 THR A 18 6.474 3.870 12.611 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.673 6.827 14.057 1.00 0.62 H new ATOM 0 HG22 THR A 18 7.010 7.656 13.227 1.00 0.62 H new ATOM 0 HG23 THR A 18 5.833 6.706 12.289 1.00 0.62 H new ATOM 271 N THR A 19 8.911 3.035 12.506 1.00 0.49 N ATOM 272 CA THR A 19 9.774 1.894 12.873 1.00 0.53 C ATOM 273 C THR A 19 11.061 1.791 12.018 1.00 0.53 C ATOM 274 O THR A 19 12.140 1.565 12.575 1.00 0.62 O ATOM 275 CB THR A 19 8.982 0.552 12.799 1.00 0.55 C ATOM 276 OG1 THR A 19 7.718 0.702 13.465 1.00 0.56 O ATOM 277 CG2 THR A 19 9.744 -0.606 13.448 1.00 0.66 C ATOM 0 H THR A 19 7.991 2.761 12.161 1.00 0.49 H new ATOM 0 HA THR A 19 10.090 2.081 13.899 1.00 0.53 H new ATOM 0 HB THR A 19 8.840 0.317 11.744 1.00 0.55 H new ATOM 0 HG1 THR A 19 7.087 1.159 12.870 1.00 0.56 H new ATOM 0 HG21 THR A 19 9.153 -1.519 13.372 1.00 0.66 H new ATOM 0 HG22 THR A 19 10.696 -0.747 12.937 1.00 0.66 H new ATOM 0 HG23 THR A 19 9.926 -0.378 14.498 1.00 0.66 H new ATOM 285 N PHE A 20 10.955 1.955 10.679 1.00 0.53 N ATOM 286 CA PHE A 20 12.132 1.840 9.786 1.00 0.57 C ATOM 287 C PHE A 20 12.683 3.197 9.301 1.00 0.57 C ATOM 288 O PHE A 20 13.869 3.279 8.967 1.00 0.89 O ATOM 289 CB PHE A 20 11.810 0.944 8.573 1.00 0.64 C ATOM 290 CG PHE A 20 13.030 0.569 7.742 1.00 0.71 C ATOM 291 CD1 PHE A 20 14.044 -0.215 8.286 1.00 0.83 C ATOM 292 CD2 PHE A 20 13.170 1.015 6.436 1.00 0.76 C ATOM 293 CE1 PHE A 20 15.157 -0.548 7.541 1.00 0.95 C ATOM 294 CE2 PHE A 20 14.285 0.683 5.689 1.00 0.86 C ATOM 295 CZ PHE A 20 15.277 -0.098 6.243 1.00 0.93 C ATOM 0 H PHE A 20 10.080 2.164 10.198 1.00 0.53 H new ATOM 0 HA PHE A 20 12.916 1.384 10.391 1.00 0.57 H new ATOM 0 HB2 PHE A 20 11.328 0.032 8.925 1.00 0.64 H new ATOM 0 HB3 PHE A 20 11.092 1.458 7.934 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.958 -0.567 9.303 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.398 1.630 5.997 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.934 -1.161 7.974 1.00 0.95 H new ATOM 0 HE2 PHE A 20 14.379 1.035 4.672 1.00 0.86 H new ATOM 0 HZ PHE A 20 16.148 -0.357 5.660 1.00 0.93 H new ATOM 305 N PHE A 21 11.848 4.256 9.259 1.00 0.71 N ATOM 306 CA PHE A 21 12.303 5.590 8.791 1.00 0.73 C ATOM 307 C PHE A 21 13.411 6.195 9.685 1.00 0.66 C ATOM 308 O PHE A 21 14.163 7.054 9.219 1.00 0.67 O ATOM 309 CB PHE A 21 11.108 6.560 8.644 1.00 1.04 C ATOM 310 CG PHE A 21 10.536 6.619 7.239 1.00 1.67 C ATOM 311 CD1 PHE A 21 10.067 5.468 6.607 1.00 1.97 C ATOM 312 CD2 PHE A 21 10.482 7.822 6.541 1.00 2.34 C ATOM 313 CE1 PHE A 21 9.559 5.521 5.323 1.00 2.74 C ATOM 314 CE2 PHE A 21 9.976 7.876 5.257 1.00 3.02 C ATOM 315 CZ PHE A 21 9.516 6.725 4.648 1.00 3.17 C ATOM 0 H PHE A 21 10.868 4.219 9.538 1.00 0.71 H new ATOM 0 HA PHE A 21 12.750 5.442 7.808 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.320 6.259 9.335 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.425 7.560 8.939 1.00 1.04 H new ATOM 0 HD1 PHE A 21 10.101 4.523 7.128 1.00 1.97 H new ATOM 0 HD2 PHE A 21 10.841 8.726 7.010 1.00 2.34 H new ATOM 0 HE1 PHE A 21 9.196 4.622 4.848 1.00 2.74 H new ATOM 0 HE2 PHE A 21 9.940 8.818 4.730 1.00 3.02 H new ATOM 0 HZ PHE A 21 9.122 6.767 3.643 1.00 3.17 H new ATOM 325 N THR A 22 13.511 5.749 10.956 1.00 0.75 N ATOM 326 CA THR A 22 14.564 6.224 11.880 1.00 0.89 C ATOM 327 C THR A 22 15.957 5.703 11.447 1.00 0.82 C ATOM 328 O THR A 22 16.974 6.360 11.702 1.00 0.97 O ATOM 329 CB THR A 22 14.273 5.786 13.348 1.00 1.11 C ATOM 330 OG1 THR A 22 12.909 6.083 13.690 1.00 1.25 O ATOM 331 CG2 THR A 22 15.207 6.472 14.350 1.00 1.37 C ATOM 0 H THR A 22 12.877 5.062 11.365 1.00 0.75 H new ATOM 0 HA THR A 22 14.563 7.313 11.837 1.00 0.89 H new ATOM 0 HB THR A 22 14.448 4.712 13.405 1.00 1.11 H new ATOM 0 HG1 THR A 22 12.321 5.395 13.315 1.00 1.25 H new ATOM 0 HG21 THR A 22 14.968 6.137 15.359 1.00 1.37 H new ATOM 0 HG22 THR A 22 16.241 6.216 14.118 1.00 1.37 H new ATOM 0 HG23 THR A 22 15.078 7.553 14.287 1.00 1.37 H new ATOM 339 N PHE A 23 15.985 4.519 10.797 1.00 0.69 N ATOM 340 CA PHE A 23 17.230 3.900 10.302 1.00 0.76 C ATOM 341 C PHE A 23 17.498 4.284 8.830 1.00 0.69 C ATOM 342 O PHE A 23 18.652 4.467 8.439 1.00 0.82 O ATOM 343 CB PHE A 23 17.146 2.364 10.419 1.00 0.87 C ATOM 344 CG PHE A 23 17.129 1.837 11.841 1.00 1.04 C ATOM 345 CD1 PHE A 23 18.278 1.870 12.621 1.00 1.34 C ATOM 346 CD2 PHE A 23 15.970 1.302 12.390 1.00 1.01 C ATOM 347 CE1 PHE A 23 18.271 1.382 13.912 1.00 1.55 C ATOM 348 CE2 PHE A 23 15.961 0.812 13.682 1.00 1.24 C ATOM 349 CZ PHE A 23 17.113 0.852 14.443 1.00 1.49 C ATOM 0 H PHE A 23 15.148 3.969 10.602 1.00 0.69 H new ATOM 0 HA PHE A 23 18.051 4.271 10.916 1.00 0.76 H new ATOM 0 HB2 PHE A 23 16.245 2.023 9.909 1.00 0.87 H new ATOM 0 HB3 PHE A 23 17.995 1.926 9.894 1.00 0.87 H new ATOM 0 HD1 PHE A 23 19.188 2.283 12.212 1.00 1.34 H new ATOM 0 HD2 PHE A 23 15.066 1.269 11.800 1.00 1.01 H new ATOM 0 HE1 PHE A 23 19.172 1.415 14.507 1.00 1.55 H new ATOM 0 HE2 PHE A 23 15.054 0.398 14.097 1.00 1.24 H new ATOM 0 HZ PHE A 23 17.107 0.469 15.453 1.00 1.49 H new ATOM 359 N ALA A 24 16.418 4.391 8.023 1.00 0.59 N ATOM 360 CA ALA A 24 16.509 4.729 6.587 1.00 0.67 C ATOM 361 C ALA A 24 16.807 6.219 6.323 1.00 0.62 C ATOM 362 O ALA A 24 17.350 6.556 5.265 1.00 0.83 O ATOM 363 CB ALA A 24 15.220 4.324 5.874 1.00 0.82 C ATOM 0 H ALA A 24 15.462 4.246 8.349 1.00 0.59 H new ATOM 0 HA ALA A 24 17.355 4.168 6.191 1.00 0.67 H new ATOM 0 HB1 ALA A 24 15.295 4.576 4.816 1.00 0.82 H new ATOM 0 HB2 ALA A 24 15.067 3.250 5.981 1.00 0.82 H new ATOM 0 HB3 ALA A 24 14.377 4.856 6.315 1.00 0.82 H new ATOM 369 N ARG A 25 16.450 7.110 7.277 1.00 0.61 N ATOM 370 CA ARG A 25 16.684 8.574 7.138 1.00 0.65 C ATOM 371 C ARG A 25 18.183 8.944 6.995 1.00 0.69 C ATOM 372 O ARG A 25 18.510 9.991 6.428 1.00 0.88 O ATOM 373 CB ARG A 25 16.074 9.342 8.339 1.00 0.75 C ATOM 374 CG ARG A 25 16.648 8.943 9.707 1.00 0.78 C ATOM 375 CD ARG A 25 16.040 9.748 10.852 1.00 0.97 C ATOM 376 NE ARG A 25 16.673 9.441 12.148 1.00 1.09 N ATOM 377 CZ ARG A 25 16.392 10.064 13.311 1.00 1.32 C ATOM 378 NH1 ARG A 25 15.480 11.042 13.378 1.00 1.55 N ATOM 379 NH2 ARG A 25 17.038 9.701 14.421 1.00 1.47 N ATOM 0 H ARG A 25 15.999 6.845 8.152 1.00 0.61 H new ATOM 0 HA ARG A 25 16.188 8.871 6.214 1.00 0.65 H new ATOM 0 HB2 ARG A 25 16.233 10.410 8.190 1.00 0.75 H new ATOM 0 HB3 ARG A 25 14.996 9.178 8.349 1.00 0.75 H new ATOM 0 HG2 ARG A 25 16.468 7.882 9.878 1.00 0.78 H new ATOM 0 HG3 ARG A 25 17.729 9.086 9.700 1.00 0.78 H new ATOM 0 HD2 ARG A 25 16.145 10.812 10.641 1.00 0.97 H new ATOM 0 HD3 ARG A 25 14.972 9.539 10.913 1.00 0.97 H new ATOM 0 HE ARG A 25 17.376 8.702 12.166 1.00 1.09 H new ATOM 0 HH11 ARG A 25 14.980 11.331 12.537 1.00 1.55 H new ATOM 0 HH12 ARG A 25 15.285 11.498 14.270 1.00 1.55 H new ATOM 0 HH21 ARG A 25 17.737 8.959 14.385 1.00 1.47 H new ATOM 0 HH22 ARG A 25 16.833 10.166 15.306 1.00 1.47 H new ATOM 393 N GLN A 26 19.078 8.080 7.510 1.00 0.73 N ATOM 394 CA GLN A 26 20.537 8.307 7.471 1.00 0.84 C ATOM 395 C GLN A 26 21.143 8.163 6.052 1.00 0.78 C ATOM 396 O GLN A 26 22.272 8.614 5.835 1.00 0.89 O ATOM 397 CB GLN A 26 21.229 7.332 8.454 1.00 1.01 C ATOM 398 CG GLN A 26 22.710 7.615 8.722 1.00 1.22 C ATOM 399 CD GLN A 26 23.216 6.969 10.009 1.00 1.49 C ATOM 400 OE1 GLN A 26 23.665 5.822 10.005 1.00 1.63 O ATOM 401 NE2 GLN A 26 23.144 7.698 11.124 1.00 1.80 N ATOM 0 H GLN A 26 18.812 7.206 7.964 1.00 0.73 H new ATOM 0 HA GLN A 26 20.713 9.340 7.771 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.694 7.358 9.403 1.00 1.01 H new ATOM 0 HB3 GLN A 26 21.135 6.319 8.062 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.302 7.251 7.882 1.00 1.22 H new ATOM 0 HG3 GLN A 26 22.864 8.693 8.778 1.00 1.22 H new ATOM 0 HE21 GLN A 26 22.766 8.645 11.091 1.00 1.80 H new ATOM 0 HE22 GLN A 26 23.467 7.308 12.010 1.00 1.80 H new ATOM 410 N GLU A 27 20.404 7.550 5.092 1.00 0.70 N ATOM 411 CA GLU A 27 20.918 7.346 3.722 1.00 0.76 C ATOM 412 C GLU A 27 20.017 7.978 2.641 1.00 0.93 C ATOM 413 O GLU A 27 18.932 7.461 2.346 1.00 1.59 O ATOM 414 CB GLU A 27 21.085 5.838 3.435 1.00 0.92 C ATOM 415 CG GLU A 27 22.067 5.108 4.358 1.00 1.09 C ATOM 416 CD GLU A 27 23.493 5.630 4.267 1.00 1.27 C ATOM 417 OE1 GLU A 27 24.133 5.441 3.210 1.00 1.52 O ATOM 418 OE2 GLU A 27 23.969 6.234 5.253 1.00 1.46 O ATOM 0 H GLU A 27 19.460 7.193 5.243 1.00 0.70 H new ATOM 0 HA GLU A 27 21.884 7.849 3.674 1.00 0.76 H new ATOM 0 HB2 GLU A 27 20.110 5.358 3.515 1.00 0.92 H new ATOM 0 HB3 GLU A 27 21.418 5.714 2.404 1.00 0.92 H new ATOM 0 HG2 GLU A 27 21.721 5.199 5.388 1.00 1.09 H new ATOM 0 HG3 GLU A 27 22.062 4.046 4.113 1.00 1.09 H new ATOM 425 N GLY A 28 20.481 9.114 2.074 1.00 0.79 N ATOM 426 CA GLY A 28 19.778 9.802 0.983 1.00 0.92 C ATOM 427 C GLY A 28 18.378 10.316 1.321 1.00 0.73 C ATOM 428 O GLY A 28 17.416 9.548 1.272 1.00 0.72 O ATOM 0 H GLY A 28 21.346 9.572 2.361 1.00 0.79 H new ATOM 0 HA2 GLY A 28 20.387 10.646 0.657 1.00 0.92 H new ATOM 0 HA3 GLY A 28 19.701 9.119 0.137 1.00 0.92 H new ATOM 432 N ARG A 29 18.274 11.629 1.643 1.00 0.72 N ATOM 433 CA ARG A 29 16.993 12.306 1.979 1.00 0.71 C ATOM 434 C ARG A 29 16.242 11.646 3.160 1.00 0.68 C ATOM 435 O ARG A 29 16.600 10.549 3.606 1.00 0.76 O ATOM 436 CB ARG A 29 16.091 12.434 0.725 1.00 0.73 C ATOM 437 CG ARG A 29 16.630 13.430 -0.308 1.00 0.92 C ATOM 438 CD ARG A 29 15.671 13.641 -1.480 1.00 1.31 C ATOM 439 NE ARG A 29 16.150 14.676 -2.422 1.00 1.46 N ATOM 440 CZ ARG A 29 15.499 15.070 -3.540 1.00 1.91 C ATOM 441 NH1 ARG A 29 14.301 14.560 -3.865 1.00 2.60 N ATOM 442 NH2 ARG A 29 16.049 15.991 -4.332 1.00 2.05 N ATOM 0 H ARG A 29 19.080 12.253 1.678 1.00 0.72 H new ATOM 0 HA ARG A 29 17.251 13.309 2.320 1.00 0.71 H new ATOM 0 HB2 ARG A 29 15.989 11.455 0.257 1.00 0.73 H new ATOM 0 HB3 ARG A 29 15.093 12.745 1.034 1.00 0.73 H new ATOM 0 HG2 ARG A 29 16.818 14.387 0.179 1.00 0.92 H new ATOM 0 HG3 ARG A 29 17.587 13.072 -0.687 1.00 0.92 H new ATOM 0 HD2 ARG A 29 15.542 12.700 -2.014 1.00 1.31 H new ATOM 0 HD3 ARG A 29 14.691 13.927 -1.097 1.00 1.31 H new ATOM 0 HE ARG A 29 17.040 15.127 -2.212 1.00 1.46 H new ATOM 0 HH11 ARG A 29 13.864 13.861 -3.264 1.00 2.60 H new ATOM 0 HH12 ARG A 29 13.827 14.871 -4.713 1.00 2.60 H new ATOM 0 HH21 ARG A 29 16.955 16.394 -4.093 1.00 2.05 H new ATOM 0 HH22 ARG A 29 15.564 16.293 -5.177 1.00 2.05 H new ATOM 456 N LYS A 30 15.202 12.338 3.666 1.00 0.67 N ATOM 457 CA LYS A 30 14.404 11.854 4.816 1.00 0.67 C ATOM 458 C LYS A 30 13.124 11.100 4.400 1.00 0.66 C ATOM 459 O LYS A 30 12.470 10.496 5.258 1.00 0.72 O ATOM 460 CB LYS A 30 14.010 13.041 5.725 1.00 0.76 C ATOM 461 CG LYS A 30 15.184 13.791 6.357 1.00 0.82 C ATOM 462 CD LYS A 30 15.913 12.948 7.406 1.00 0.89 C ATOM 463 CE LYS A 30 16.839 13.790 8.283 1.00 1.00 C ATOM 464 NZ LYS A 30 17.977 14.390 7.517 1.00 1.22 N ATOM 0 H LYS A 30 14.892 13.237 3.297 1.00 0.67 H new ATOM 0 HA LYS A 30 15.040 11.148 5.350 1.00 0.67 H new ATOM 0 HB2 LYS A 30 13.421 13.747 5.140 1.00 0.76 H new ATOM 0 HB3 LYS A 30 13.365 12.670 6.521 1.00 0.76 H new ATOM 0 HG2 LYS A 30 15.887 14.085 5.577 1.00 0.82 H new ATOM 0 HG3 LYS A 30 14.820 14.708 6.820 1.00 0.82 H new ATOM 0 HD2 LYS A 30 15.181 12.442 8.035 1.00 0.89 H new ATOM 0 HD3 LYS A 30 16.494 12.173 6.907 1.00 0.89 H new ATOM 0 HE2 LYS A 30 16.262 14.587 8.752 1.00 1.00 H new ATOM 0 HE3 LYS A 30 17.235 13.169 9.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 18.572 14.950 8.161 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 18.547 13.632 7.091 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 17.604 15.006 6.767 1.00 1.22 H new ATOM 478 N ASP A 31 12.773 11.117 3.098 1.00 0.66 N ATOM 479 CA ASP A 31 11.549 10.463 2.601 1.00 0.71 C ATOM 480 C ASP A 31 11.809 9.082 1.961 1.00 0.64 C ATOM 481 O ASP A 31 10.944 8.207 2.032 1.00 0.89 O ATOM 482 CB ASP A 31 10.856 11.384 1.576 1.00 0.87 C ATOM 483 CG ASP A 31 10.326 12.671 2.195 1.00 1.03 C ATOM 484 OD1 ASP A 31 11.126 13.613 2.389 1.00 1.43 O ATOM 485 OD2 ASP A 31 9.115 12.734 2.485 1.00 1.38 O ATOM 0 H ASP A 31 13.322 11.578 2.372 1.00 0.66 H new ATOM 0 HA ASP A 31 10.908 10.292 3.466 1.00 0.71 H new ATOM 0 HB2 ASP A 31 11.562 11.632 0.783 1.00 0.87 H new ATOM 0 HB3 ASP A 31 10.031 10.845 1.111 1.00 0.87 H new ATOM 490 N SER A 32 12.995 8.887 1.343 1.00 0.65 N ATOM 491 CA SER A 32 13.337 7.621 0.657 1.00 0.58 C ATOM 492 C SER A 32 14.071 6.614 1.568 1.00 0.56 C ATOM 493 O SER A 32 14.673 6.994 2.580 1.00 0.63 O ATOM 494 CB SER A 32 14.190 7.920 -0.584 1.00 0.58 C ATOM 495 OG SER A 32 15.373 8.625 -0.238 1.00 1.09 O ATOM 0 H SER A 32 13.732 9.591 1.305 1.00 0.65 H new ATOM 0 HA SER A 32 12.396 7.153 0.368 1.00 0.58 H new ATOM 0 HB2 SER A 32 14.453 6.986 -1.081 1.00 0.58 H new ATOM 0 HB3 SER A 32 13.609 8.507 -1.295 1.00 0.58 H new ATOM 0 HG SER A 32 15.653 9.184 -0.993 1.00 1.09 H new ATOM 501 N LEU A 33 14.013 5.315 1.181 1.00 0.54 N ATOM 502 CA LEU A 33 14.661 4.211 1.920 1.00 0.54 C ATOM 503 C LEU A 33 16.032 3.870 1.292 1.00 0.52 C ATOM 504 O LEU A 33 16.330 4.314 0.180 1.00 0.66 O ATOM 505 CB LEU A 33 13.765 2.945 1.919 1.00 0.55 C ATOM 506 CG LEU A 33 12.437 3.013 2.721 1.00 0.67 C ATOM 507 CD1 LEU A 33 11.404 3.924 2.046 1.00 0.76 C ATOM 508 CD2 LEU A 33 11.860 1.603 2.915 1.00 0.75 C ATOM 0 H LEU A 33 13.514 5.007 0.346 1.00 0.54 H new ATOM 0 HA LEU A 33 14.808 4.540 2.949 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.522 2.704 0.884 1.00 0.55 H new ATOM 0 HB3 LEU A 33 14.353 2.115 2.310 1.00 0.55 H new ATOM 0 HG LEU A 33 12.665 3.445 3.696 1.00 0.67 H new ATOM 0 HD11 LEU A 33 10.491 3.942 2.641 1.00 0.76 H new ATOM 0 HD12 LEU A 33 11.806 4.934 1.967 1.00 0.76 H new ATOM 0 HD13 LEU A 33 11.180 3.544 1.049 1.00 0.76 H new ATOM 0 HD21 LEU A 33 10.929 1.665 3.479 1.00 0.75 H new ATOM 0 HD22 LEU A 33 11.665 1.152 1.942 1.00 0.75 H new ATOM 0 HD23 LEU A 33 12.575 0.989 3.462 1.00 0.75 H new ATOM 520 N SER A 34 16.855 3.066 2.004 1.00 0.50 N ATOM 521 CA SER A 34 18.192 2.663 1.509 1.00 0.52 C ATOM 522 C SER A 34 18.099 1.409 0.619 1.00 0.47 C ATOM 523 O SER A 34 17.165 0.614 0.758 1.00 0.47 O ATOM 524 CB SER A 34 19.151 2.397 2.686 1.00 0.62 C ATOM 525 OG SER A 34 20.486 2.214 2.235 1.00 0.68 O ATOM 0 H SER A 34 16.618 2.685 2.920 1.00 0.50 H new ATOM 0 HA SER A 34 18.584 3.485 0.911 1.00 0.52 H new ATOM 0 HB2 SER A 34 19.113 3.233 3.385 1.00 0.62 H new ATOM 0 HB3 SER A 34 18.824 1.511 3.230 1.00 0.62 H new ATOM 0 HG SER A 34 21.071 2.049 3.004 1.00 0.68 H new ATOM 531 N VAL A 35 19.080 1.238 -0.290 1.00 0.50 N ATOM 532 CA VAL A 35 19.117 0.085 -1.215 1.00 0.49 C ATOM 533 C VAL A 35 19.605 -1.218 -0.525 1.00 0.45 C ATOM 534 O VAL A 35 19.225 -2.315 -0.954 1.00 0.46 O ATOM 535 CB VAL A 35 19.995 0.404 -2.482 1.00 0.59 C ATOM 536 CG1 VAL A 35 21.500 0.447 -2.169 1.00 0.63 C ATOM 537 CG2 VAL A 35 19.707 -0.573 -3.627 1.00 0.64 C ATOM 0 H VAL A 35 19.860 1.885 -0.404 1.00 0.50 H new ATOM 0 HA VAL A 35 18.090 -0.089 -1.536 1.00 0.49 H new ATOM 0 HB VAL A 35 19.708 1.405 -2.804 1.00 0.59 H new ATOM 0 HG11 VAL A 35 22.055 0.671 -3.080 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.695 1.220 -1.426 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.818 -0.520 -1.779 1.00 0.63 H new ATOM 0 HG21 VAL A 35 20.331 -0.322 -4.485 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.928 -1.590 -3.302 1.00 0.64 H new ATOM 0 HG23 VAL A 35 18.657 -0.503 -3.910 1.00 0.64 H new ATOM 547 N ASN A 36 20.433 -1.089 0.539 1.00 0.45 N ATOM 548 CA ASN A 36 20.992 -2.250 1.263 1.00 0.46 C ATOM 549 C ASN A 36 20.259 -2.547 2.592 1.00 0.44 C ATOM 550 O ASN A 36 20.052 -3.718 2.920 1.00 0.55 O ATOM 551 CB ASN A 36 22.499 -2.023 1.514 1.00 0.55 C ATOM 552 CG ASN A 36 23.200 -3.235 2.130 1.00 0.64 C ATOM 553 OD1 ASN A 36 23.606 -4.151 1.416 1.00 0.82 O ATOM 554 ND2 ASN A 36 23.348 -3.246 3.459 1.00 0.77 N ATOM 0 H ASN A 36 20.728 -0.188 0.914 1.00 0.45 H new ATOM 0 HA ASN A 36 20.846 -3.127 0.633 1.00 0.46 H new ATOM 0 HB2 ASN A 36 22.984 -1.773 0.570 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.625 -1.165 2.174 1.00 0.55 H new ATOM 0 HD21 ASN A 36 23.811 -4.033 3.914 1.00 0.77 H new ATOM 0 HD22 ASN A 36 22.998 -2.468 4.018 1.00 0.77 H new ATOM 561 N GLU A 37 19.880 -1.501 3.360 1.00 0.44 N ATOM 562 CA GLU A 37 19.195 -1.692 4.665 1.00 0.46 C ATOM 563 C GLU A 37 17.751 -2.223 4.519 1.00 0.41 C ATOM 564 O GLU A 37 17.249 -2.869 5.447 1.00 0.43 O ATOM 565 CB GLU A 37 19.189 -0.393 5.497 1.00 0.55 C ATOM 566 CG GLU A 37 20.578 0.152 5.820 1.00 0.70 C ATOM 567 CD GLU A 37 20.537 1.329 6.781 1.00 0.83 C ATOM 568 OE1 GLU A 37 20.474 1.091 8.007 1.00 1.25 O ATOM 569 OE2 GLU A 37 20.567 2.487 6.311 1.00 1.54 O ATOM 0 H GLU A 37 20.033 -0.525 3.106 1.00 0.44 H new ATOM 0 HA GLU A 37 19.774 -2.452 5.190 1.00 0.46 H new ATOM 0 HB2 GLU A 37 18.629 0.369 4.955 1.00 0.55 H new ATOM 0 HB3 GLU A 37 18.657 -0.576 6.431 1.00 0.55 H new ATOM 0 HG2 GLU A 37 21.185 -0.644 6.252 1.00 0.70 H new ATOM 0 HG3 GLU A 37 21.067 0.460 4.896 1.00 0.70 H new ATOM 576 N PHE A 38 17.075 -1.948 3.374 1.00 0.40 N ATOM 577 CA PHE A 38 15.690 -2.438 3.156 1.00 0.39 C ATOM 578 C PHE A 38 15.668 -3.979 3.039 1.00 0.37 C ATOM 579 O PHE A 38 14.796 -4.630 3.620 1.00 0.40 O ATOM 580 CB PHE A 38 15.006 -1.732 1.940 1.00 0.43 C ATOM 581 CG PHE A 38 14.941 -2.512 0.627 1.00 0.41 C ATOM 582 CD1 PHE A 38 16.024 -2.548 -0.243 1.00 0.49 C ATOM 583 CD2 PHE A 38 13.781 -3.194 0.265 1.00 0.50 C ATOM 584 CE1 PHE A 38 15.953 -3.243 -1.439 1.00 0.61 C ATOM 585 CE2 PHE A 38 13.710 -3.891 -0.928 1.00 0.61 C ATOM 586 CZ PHE A 38 14.795 -3.917 -1.781 1.00 0.65 C ATOM 0 H PHE A 38 17.457 -1.401 2.602 1.00 0.40 H new ATOM 0 HA PHE A 38 15.095 -2.171 4.030 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.988 -1.472 2.229 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.533 -0.797 1.752 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.934 -2.027 0.017 1.00 0.49 H new ATOM 0 HD2 PHE A 38 12.926 -3.178 0.925 1.00 0.50 H new ATOM 0 HE1 PHE A 38 16.803 -3.259 -2.105 1.00 0.61 H new ATOM 0 HE2 PHE A 38 12.804 -4.416 -1.192 1.00 0.61 H new ATOM 0 HZ PHE A 38 14.740 -4.462 -2.712 1.00 0.65 H new ATOM 596 N LYS A 39 16.652 -4.548 2.303 1.00 0.37 N ATOM 597 CA LYS A 39 16.777 -6.010 2.128 1.00 0.40 C ATOM 598 C LYS A 39 17.044 -6.711 3.481 1.00 0.38 C ATOM 599 O LYS A 39 16.574 -7.832 3.696 1.00 0.42 O ATOM 600 CB LYS A 39 17.899 -6.341 1.122 1.00 0.46 C ATOM 601 CG LYS A 39 17.926 -7.800 0.666 1.00 0.55 C ATOM 602 CD LYS A 39 19.062 -8.072 -0.321 1.00 0.64 C ATOM 603 CE LYS A 39 19.189 -9.560 -0.653 1.00 0.76 C ATOM 604 NZ LYS A 39 18.036 -10.070 -1.452 1.00 0.87 N ATOM 0 H LYS A 39 17.373 -4.012 1.820 1.00 0.37 H new ATOM 0 HA LYS A 39 15.832 -6.383 1.733 1.00 0.40 H new ATOM 0 HB2 LYS A 39 17.786 -5.701 0.247 1.00 0.46 H new ATOM 0 HB3 LYS A 39 18.860 -6.096 1.574 1.00 0.46 H new ATOM 0 HG2 LYS A 39 18.038 -8.449 1.535 1.00 0.55 H new ATOM 0 HG3 LYS A 39 16.973 -8.052 0.200 1.00 0.55 H new ATOM 0 HD2 LYS A 39 18.888 -7.510 -1.238 1.00 0.64 H new ATOM 0 HD3 LYS A 39 20.001 -7.713 0.099 1.00 0.64 H new ATOM 0 HE2 LYS A 39 20.113 -9.727 -1.207 1.00 0.76 H new ATOM 0 HE3 LYS A 39 19.265 -10.130 0.273 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 18.137 -11.096 -1.592 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 17.149 -9.876 -0.945 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 18.017 -9.595 -2.377 1.00 0.87 H new ATOM 618 N GLU A 40 17.805 -6.040 4.378 1.00 0.38 N ATOM 619 CA GLU A 40 18.106 -6.576 5.723 1.00 0.40 C ATOM 620 C GLU A 40 16.816 -6.674 6.564 1.00 0.40 C ATOM 621 O GLU A 40 16.666 -7.604 7.361 1.00 0.44 O ATOM 622 CB GLU A 40 19.153 -5.700 6.446 1.00 0.45 C ATOM 623 CG GLU A 40 20.543 -5.732 5.809 1.00 0.49 C ATOM 624 CD GLU A 40 21.542 -4.838 6.525 1.00 0.59 C ATOM 625 OE1 GLU A 40 22.081 -5.267 7.567 1.00 0.73 O ATOM 626 OE2 GLU A 40 21.788 -3.713 6.042 1.00 0.64 O ATOM 0 H GLU A 40 18.221 -5.127 4.193 1.00 0.38 H new ATOM 0 HA GLU A 40 18.524 -7.576 5.603 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.798 -4.670 6.465 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.233 -6.029 7.482 1.00 0.45 H new ATOM 0 HG2 GLU A 40 20.914 -6.757 5.810 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.467 -5.422 4.767 1.00 0.49 H new ATOM 633 N LEU A 41 15.889 -5.702 6.376 1.00 0.39 N ATOM 634 CA LEU A 41 14.592 -5.689 7.084 1.00 0.41 C ATOM 635 C LEU A 41 13.695 -6.861 6.628 1.00 0.40 C ATOM 636 O LEU A 41 13.008 -7.470 7.451 1.00 0.44 O ATOM 637 CB LEU A 41 13.864 -4.345 6.848 1.00 0.44 C ATOM 638 CG LEU A 41 12.685 -4.028 7.803 1.00 0.55 C ATOM 639 CD1 LEU A 41 13.189 -3.674 9.205 1.00 0.65 C ATOM 640 CD2 LEU A 41 11.815 -2.901 7.235 1.00 0.58 C ATOM 0 H LEU A 41 16.020 -4.917 5.738 1.00 0.39 H new ATOM 0 HA LEU A 41 14.792 -5.806 8.149 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.595 -3.541 6.928 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.489 -4.334 5.825 1.00 0.44 H new ATOM 0 HG LEU A 41 12.071 -4.924 7.887 1.00 0.55 H new ATOM 0 HD11 LEU A 41 12.340 -3.456 9.853 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.751 -4.515 9.613 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.836 -2.799 9.149 1.00 0.65 H new ATOM 0 HD21 LEU A 41 10.993 -2.695 7.921 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.419 -2.002 7.111 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.413 -3.204 6.268 1.00 0.58 H new ATOM 652 N VAL A 42 13.710 -7.160 5.306 1.00 0.36 N ATOM 653 CA VAL A 42 12.918 -8.270 4.729 1.00 0.37 C ATOM 654 C VAL A 42 13.442 -9.645 5.214 1.00 0.38 C ATOM 655 O VAL A 42 12.669 -10.602 5.292 1.00 0.41 O ATOM 656 CB VAL A 42 12.898 -8.211 3.156 1.00 0.40 C ATOM 657 CG1 VAL A 42 12.168 -9.415 2.537 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.256 -6.905 2.669 1.00 0.41 C ATOM 0 H VAL A 42 14.263 -6.646 4.620 1.00 0.36 H new ATOM 0 HA VAL A 42 11.894 -8.151 5.082 1.00 0.37 H new ATOM 0 HB VAL A 42 13.936 -8.247 2.826 1.00 0.40 H new ATOM 0 HG11 VAL A 42 12.181 -9.329 1.450 1.00 0.45 H new ATOM 0 HG12 VAL A 42 12.669 -10.336 2.834 1.00 0.45 H new ATOM 0 HG13 VAL A 42 11.136 -9.434 2.887 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.253 -6.885 1.579 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.231 -6.844 3.036 1.00 0.41 H new ATOM 0 HG23 VAL A 42 12.827 -6.056 3.045 1.00 0.41 H new ATOM 668 N THR A 43 14.747 -9.729 5.548 1.00 0.39 N ATOM 669 CA THR A 43 15.365 -10.980 6.017 1.00 0.42 C ATOM 670 C THR A 43 15.653 -10.947 7.544 1.00 0.49 C ATOM 671 O THR A 43 16.547 -11.653 8.021 1.00 0.80 O ATOM 672 CB THR A 43 16.686 -11.257 5.223 1.00 0.45 C ATOM 673 OG1 THR A 43 16.580 -10.759 3.874 1.00 0.46 O ATOM 674 CG2 THR A 43 17.025 -12.750 5.181 1.00 0.50 C ATOM 0 H THR A 43 15.392 -8.940 5.500 1.00 0.39 H new ATOM 0 HA THR A 43 14.656 -11.788 5.835 1.00 0.42 H new ATOM 0 HB THR A 43 17.487 -10.736 5.748 1.00 0.45 H new ATOM 0 HG1 THR A 43 16.646 -9.781 3.880 1.00 0.46 H new ATOM 0 HG21 THR A 43 17.948 -12.898 4.621 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.153 -13.123 6.197 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.215 -13.294 4.695 1.00 0.50 H new ATOM 682 N GLN A 44 14.878 -10.144 8.318 1.00 0.41 N ATOM 683 CA GLN A 44 15.078 -10.044 9.778 1.00 0.44 C ATOM 684 C GLN A 44 13.746 -9.841 10.528 1.00 0.44 C ATOM 685 O GLN A 44 13.355 -10.697 11.326 1.00 0.50 O ATOM 686 CB GLN A 44 16.073 -8.904 10.117 1.00 0.48 C ATOM 687 CG GLN A 44 16.616 -8.949 11.552 1.00 0.65 C ATOM 688 CD GLN A 44 17.631 -7.845 11.865 1.00 0.77 C ATOM 689 OE1 GLN A 44 18.367 -7.390 10.984 1.00 1.02 O ATOM 690 NE2 GLN A 44 17.694 -7.420 13.133 1.00 1.10 N ATOM 0 H GLN A 44 14.120 -9.565 7.957 1.00 0.41 H new ATOM 0 HA GLN A 44 15.501 -10.991 10.114 1.00 0.44 H new ATOM 0 HB2 GLN A 44 16.911 -8.950 9.422 1.00 0.48 H new ATOM 0 HB3 GLN A 44 15.578 -7.946 9.957 1.00 0.48 H new ATOM 0 HG2 GLN A 44 15.781 -8.870 12.249 1.00 0.65 H new ATOM 0 HG3 GLN A 44 17.084 -9.919 11.723 1.00 0.65 H new ATOM 0 HE21 GLN A 44 17.071 -7.818 13.836 1.00 1.10 H new ATOM 0 HE22 GLN A 44 18.365 -6.698 13.396 1.00 1.10 H new ATOM 699 N GLN A 45 13.051 -8.716 10.257 1.00 0.41 N ATOM 700 CA GLN A 45 11.777 -8.390 10.930 1.00 0.43 C ATOM 701 C GLN A 45 10.546 -8.656 10.037 1.00 0.41 C ATOM 702 O GLN A 45 9.418 -8.663 10.542 1.00 0.45 O ATOM 703 CB GLN A 45 11.790 -6.921 11.401 1.00 0.47 C ATOM 704 CG GLN A 45 10.862 -6.639 12.582 1.00 0.59 C ATOM 705 CD GLN A 45 11.029 -5.241 13.174 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.287 -4.273 12.456 1.00 0.65 O ATOM 707 NE2 GLN A 45 10.892 -5.127 14.496 1.00 0.84 N ATOM 0 H GLN A 45 13.352 -8.018 9.576 1.00 0.41 H new ATOM 0 HA GLN A 45 11.690 -9.052 11.792 1.00 0.43 H new ATOM 0 HB2 GLN A 45 12.808 -6.648 11.679 1.00 0.47 H new ATOM 0 HB3 GLN A 45 11.505 -6.280 10.567 1.00 0.47 H new ATOM 0 HG2 GLN A 45 9.829 -6.766 12.259 1.00 0.59 H new ATOM 0 HG3 GLN A 45 11.046 -7.378 13.362 1.00 0.59 H new ATOM 0 HE21 GLN A 45 10.678 -5.950 15.059 1.00 0.84 H new ATOM 0 HE22 GLN A 45 11.001 -4.217 14.943 1.00 0.84 H new ATOM 716 N LEU A 46 10.760 -8.880 8.722 1.00 0.40 N ATOM 717 CA LEU A 46 9.661 -9.144 7.780 1.00 0.40 C ATOM 718 C LEU A 46 9.925 -10.406 6.895 1.00 0.40 C ATOM 719 O LEU A 46 9.586 -10.391 5.704 1.00 0.42 O ATOM 720 CB LEU A 46 9.470 -7.886 6.896 1.00 0.41 C ATOM 721 CG LEU A 46 8.078 -7.706 6.249 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.123 -6.983 7.203 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.196 -6.959 4.916 1.00 0.67 C ATOM 0 H LEU A 46 11.685 -8.882 8.293 1.00 0.40 H new ATOM 0 HA LEU A 46 8.755 -9.355 8.348 1.00 0.40 H new ATOM 0 HB2 LEU A 46 9.681 -7.006 7.504 1.00 0.41 H new ATOM 0 HB3 LEU A 46 10.216 -7.910 6.101 1.00 0.41 H new ATOM 0 HG LEU A 46 7.663 -8.694 6.048 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.150 -6.868 6.726 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.012 -7.566 8.117 1.00 0.59 H new ATOM 0 HD13 LEU A 46 7.526 -6.000 7.446 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.206 -6.842 4.476 1.00 0.67 H new ATOM 0 HD22 LEU A 46 8.635 -5.976 5.087 1.00 0.67 H new ATOM 0 HD23 LEU A 46 8.831 -7.527 4.236 1.00 0.67 H new ATOM 735 N PRO A 47 10.512 -11.532 7.443 1.00 0.42 N ATOM 736 CA PRO A 47 10.779 -12.748 6.644 1.00 0.45 C ATOM 737 C PRO A 47 9.549 -13.664 6.439 1.00 0.47 C ATOM 738 O PRO A 47 9.472 -14.367 5.428 1.00 0.52 O ATOM 739 CB PRO A 47 11.867 -13.457 7.463 1.00 0.49 C ATOM 740 CG PRO A 47 11.547 -13.112 8.876 1.00 0.49 C ATOM 741 CD PRO A 47 10.982 -11.712 8.848 1.00 0.46 C ATOM 0 HA PRO A 47 11.068 -12.497 5.624 1.00 0.45 H new ATOM 0 HB2 PRO A 47 11.847 -14.535 7.302 1.00 0.49 H new ATOM 0 HB3 PRO A 47 12.863 -13.112 7.185 1.00 0.49 H new ATOM 0 HG2 PRO A 47 10.827 -13.815 9.295 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.439 -13.160 9.500 1.00 0.49 H new ATOM 0 HD2 PRO A 47 10.163 -11.599 9.559 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.738 -10.973 9.112 1.00 0.46 H new ATOM 749 N HIS A 48 8.590 -13.648 7.392 1.00 0.47 N ATOM 750 CA HIS A 48 7.375 -14.491 7.306 1.00 0.52 C ATOM 751 C HIS A 48 6.305 -13.905 6.354 1.00 0.50 C ATOM 752 O HIS A 48 5.330 -14.598 6.042 1.00 0.57 O ATOM 753 CB HIS A 48 6.762 -14.705 8.707 1.00 0.57 C ATOM 754 CG HIS A 48 7.625 -15.511 9.638 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.339 -14.951 10.681 1.00 0.69 N ATOM 756 CD2 HIS A 48 7.885 -16.841 9.680 1.00 0.79 C ATOM 757 CE1 HIS A 48 8.999 -15.902 11.319 1.00 0.80 C ATOM 758 NE2 HIS A 48 8.741 -17.055 10.733 1.00 0.85 N ATOM 0 H HIS A 48 8.633 -13.063 8.227 1.00 0.47 H new ATOM 0 HA HIS A 48 7.692 -15.448 6.892 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.568 -13.732 9.159 1.00 0.57 H new ATOM 0 HB3 HIS A 48 5.799 -15.204 8.598 1.00 0.57 H new ATOM 0 HD2 HIS A 48 7.492 -17.592 9.011 1.00 0.79 H new ATOM 0 HE1 HIS A 48 9.641 -15.759 12.176 1.00 0.80 H new ATOM 0 HE2 HIS A 48 9.117 -17.960 11.016 1.00 0.85 H new ATOM 767 N LEU A 49 6.484 -12.647 5.886 1.00 0.46 N ATOM 768 CA LEU A 49 5.518 -11.999 4.982 1.00 0.46 C ATOM 769 C LEU A 49 5.830 -12.331 3.513 1.00 0.45 C ATOM 770 O LEU A 49 5.023 -12.989 2.849 1.00 0.53 O ATOM 771 CB LEU A 49 5.505 -10.471 5.220 1.00 0.47 C ATOM 772 CG LEU A 49 4.328 -9.682 4.607 1.00 0.50 C ATOM 773 CD1 LEU A 49 2.983 -10.231 5.081 1.00 0.87 C ATOM 774 CD2 LEU A 49 4.445 -8.197 4.947 1.00 0.53 C ATOM 0 H LEU A 49 7.288 -12.066 6.122 1.00 0.46 H new ATOM 0 HA LEU A 49 4.524 -12.388 5.201 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.509 -10.294 6.296 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.433 -10.058 4.826 1.00 0.47 H new ATOM 0 HG LEU A 49 4.376 -9.800 3.525 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.175 -9.654 4.631 1.00 0.87 H new ATOM 0 HD12 LEU A 49 2.891 -11.276 4.784 1.00 0.87 H new ATOM 0 HD13 LEU A 49 2.922 -10.156 6.167 1.00 0.87 H new ATOM 0 HD21 LEU A 49 3.607 -7.656 4.507 1.00 0.53 H new ATOM 0 HD22 LEU A 49 4.431 -8.069 6.029 1.00 0.53 H new ATOM 0 HD23 LEU A 49 5.380 -7.805 4.547 1.00 0.53 H new ATOM 786 N LEU A 50 7.002 -11.880 3.013 1.00 0.43 N ATOM 787 CA LEU A 50 7.418 -12.158 1.629 1.00 0.45 C ATOM 788 C LEU A 50 8.055 -13.553 1.572 1.00 0.48 C ATOM 789 O LEU A 50 9.154 -13.756 2.102 1.00 0.54 O ATOM 790 CB LEU A 50 8.405 -11.078 1.111 1.00 0.48 C ATOM 791 CG LEU A 50 7.855 -9.630 1.047 1.00 0.57 C ATOM 792 CD1 LEU A 50 8.954 -8.642 0.646 1.00 0.66 C ATOM 793 CD2 LEU A 50 6.660 -9.520 0.089 1.00 0.73 C ATOM 0 H LEU A 50 7.670 -11.325 3.548 1.00 0.43 H new ATOM 0 HA LEU A 50 6.543 -12.130 0.980 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.287 -11.083 1.752 1.00 0.48 H new ATOM 0 HB3 LEU A 50 8.735 -11.365 0.113 1.00 0.48 H new ATOM 0 HG LEU A 50 7.506 -9.373 2.047 1.00 0.57 H new ATOM 0 HD11 LEU A 50 8.541 -7.634 0.609 1.00 0.66 H new ATOM 0 HD12 LEU A 50 9.760 -8.677 1.379 1.00 0.66 H new ATOM 0 HD13 LEU A 50 9.344 -8.911 -0.336 1.00 0.66 H new ATOM 0 HD21 LEU A 50 6.302 -8.491 0.071 1.00 0.73 H new ATOM 0 HD22 LEU A 50 6.969 -9.814 -0.914 1.00 0.73 H new ATOM 0 HD23 LEU A 50 5.859 -10.177 0.429 1.00 0.73 H new ATOM 805 N LYS A 51 7.336 -14.517 0.949 1.00 0.55 N ATOM 806 CA LYS A 51 7.797 -15.926 0.831 1.00 0.66 C ATOM 807 C LYS A 51 9.251 -16.060 0.317 1.00 0.63 C ATOM 808 O LYS A 51 9.991 -16.931 0.790 1.00 0.76 O ATOM 809 CB LYS A 51 6.817 -16.768 -0.040 1.00 0.78 C ATOM 810 CG LYS A 51 6.851 -16.526 -1.564 1.00 0.78 C ATOM 811 CD LYS A 51 6.324 -15.148 -1.980 1.00 1.18 C ATOM 812 CE LYS A 51 6.269 -14.983 -3.503 1.00 1.16 C ATOM 813 NZ LYS A 51 5.179 -15.790 -4.128 1.00 1.32 N ATOM 0 H LYS A 51 6.428 -14.345 0.517 1.00 0.55 H new ATOM 0 HA LYS A 51 7.797 -16.326 1.845 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.024 -17.823 0.140 1.00 0.78 H new ATOM 0 HB3 LYS A 51 5.803 -16.578 0.311 1.00 0.78 H new ATOM 0 HG2 LYS A 51 7.876 -16.635 -1.918 1.00 0.78 H new ATOM 0 HG3 LYS A 51 6.259 -17.296 -2.059 1.00 0.78 H new ATOM 0 HD2 LYS A 51 5.327 -15.002 -1.564 1.00 1.18 H new ATOM 0 HD3 LYS A 51 6.963 -14.374 -1.555 1.00 1.18 H new ATOM 0 HE2 LYS A 51 6.122 -13.931 -3.746 1.00 1.16 H new ATOM 0 HE3 LYS A 51 7.227 -15.278 -3.932 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 4.853 -15.319 -4.996 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 5.539 -16.737 -4.362 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 4.385 -15.876 -3.462 1.00 1.32 H new ATOM 827 N ASP A 52 9.648 -15.198 -0.640 1.00 0.64 N ATOM 828 CA ASP A 52 11.004 -15.213 -1.202 1.00 0.71 C ATOM 829 C ASP A 52 11.819 -14.039 -0.630 1.00 0.59 C ATOM 830 O ASP A 52 11.682 -12.897 -1.087 1.00 0.73 O ATOM 831 CB ASP A 52 10.936 -15.147 -2.746 1.00 0.99 C ATOM 832 CG ASP A 52 12.204 -15.651 -3.422 1.00 1.46 C ATOM 833 OD1 ASP A 52 13.290 -15.138 -3.095 1.00 2.08 O ATOM 834 OD2 ASP A 52 12.104 -16.558 -4.276 1.00 2.02 O ATOM 0 H ASP A 52 9.042 -14.481 -1.038 1.00 0.64 H new ATOM 0 HA ASP A 52 11.503 -16.142 -0.925 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.088 -15.738 -3.092 1.00 0.99 H new ATOM 0 HB3 ASP A 52 10.753 -14.117 -3.052 1.00 0.99 H new ATOM 839 N VAL A 53 12.655 -14.331 0.390 1.00 0.51 N ATOM 840 CA VAL A 53 13.504 -13.312 1.044 1.00 0.52 C ATOM 841 C VAL A 53 14.934 -13.300 0.457 1.00 0.56 C ATOM 842 O VAL A 53 15.570 -12.245 0.416 1.00 0.71 O ATOM 843 CB VAL A 53 13.569 -13.489 2.603 1.00 0.59 C ATOM 844 CG1 VAL A 53 12.177 -13.394 3.224 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.252 -14.801 3.019 1.00 0.64 C ATOM 0 H VAL A 53 12.760 -15.268 0.779 1.00 0.51 H new ATOM 0 HA VAL A 53 13.030 -12.352 0.838 1.00 0.52 H new ATOM 0 HB VAL A 53 14.181 -12.671 2.983 1.00 0.59 H new ATOM 0 HG11 VAL A 53 12.251 -13.520 4.304 1.00 0.65 H new ATOM 0 HG12 VAL A 53 11.745 -12.418 3.001 1.00 0.65 H new ATOM 0 HG13 VAL A 53 11.540 -14.176 2.810 1.00 0.65 H new ATOM 0 HG21 VAL A 53 14.270 -14.873 4.106 1.00 0.64 H new ATOM 0 HG22 VAL A 53 13.698 -15.645 2.609 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.273 -14.817 2.637 1.00 0.64 H new ATOM 855 N GLY A 54 15.429 -14.481 0.010 1.00 0.53 N ATOM 856 CA GLY A 54 16.773 -14.596 -0.563 1.00 0.64 C ATOM 857 C GLY A 54 16.897 -13.954 -1.941 1.00 0.61 C ATOM 858 O GLY A 54 17.770 -13.105 -2.152 1.00 0.83 O ATOM 0 H GLY A 54 14.911 -15.359 0.040 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.490 -14.130 0.113 1.00 0.64 H new ATOM 0 HA3 GLY A 54 17.041 -15.650 -0.635 1.00 0.64 H new ATOM 862 N SER A 55 16.017 -14.362 -2.879 1.00 0.57 N ATOM 863 CA SER A 55 16.014 -13.825 -4.249 1.00 0.58 C ATOM 864 C SER A 55 15.087 -12.601 -4.341 1.00 0.51 C ATOM 865 O SER A 55 13.957 -12.692 -4.839 1.00 0.62 O ATOM 866 CB SER A 55 15.596 -14.910 -5.265 1.00 0.74 C ATOM 867 OG SER A 55 15.626 -14.414 -6.596 1.00 0.85 O ATOM 0 H SER A 55 15.298 -15.065 -2.708 1.00 0.57 H new ATOM 0 HA SER A 55 17.027 -13.509 -4.497 1.00 0.58 H new ATOM 0 HB2 SER A 55 16.264 -15.767 -5.180 1.00 0.74 H new ATOM 0 HB3 SER A 55 14.592 -15.264 -5.030 1.00 0.74 H new ATOM 0 HG SER A 55 16.285 -13.691 -6.661 1.00 0.85 H new ATOM 873 N LEU A 56 15.578 -11.457 -3.829 1.00 0.49 N ATOM 874 CA LEU A 56 14.833 -10.189 -3.856 1.00 0.53 C ATOM 875 C LEU A 56 15.446 -9.273 -4.938 1.00 0.58 C ATOM 876 O LEU A 56 15.765 -8.109 -4.682 1.00 1.03 O ATOM 877 CB LEU A 56 14.863 -9.532 -2.441 1.00 0.67 C ATOM 878 CG LEU A 56 13.637 -8.679 -2.015 1.00 0.83 C ATOM 879 CD1 LEU A 56 13.507 -7.406 -2.858 1.00 1.22 C ATOM 880 CD2 LEU A 56 12.338 -9.497 -2.050 1.00 1.21 C ATOM 0 H LEU A 56 16.495 -11.388 -3.389 1.00 0.49 H new ATOM 0 HA LEU A 56 13.787 -10.361 -4.111 1.00 0.53 H new ATOM 0 HB2 LEU A 56 14.991 -10.326 -1.705 1.00 0.67 H new ATOM 0 HB3 LEU A 56 15.748 -8.899 -2.384 1.00 0.67 H new ATOM 0 HG LEU A 56 13.809 -8.373 -0.983 1.00 0.83 H new ATOM 0 HD11 LEU A 56 12.637 -6.838 -2.528 1.00 1.22 H new ATOM 0 HD12 LEU A 56 14.404 -6.798 -2.739 1.00 1.22 H new ATOM 0 HD13 LEU A 56 13.387 -7.675 -3.907 1.00 1.22 H new ATOM 0 HD21 LEU A 56 11.503 -8.866 -1.746 1.00 1.21 H new ATOM 0 HD22 LEU A 56 12.166 -9.864 -3.062 1.00 1.21 H new ATOM 0 HD23 LEU A 56 12.422 -10.342 -1.367 1.00 1.21 H new ATOM 892 N ASP A 57 15.621 -9.835 -6.156 1.00 0.49 N ATOM 893 CA ASP A 57 16.191 -9.105 -7.308 1.00 0.53 C ATOM 894 C ASP A 57 15.100 -8.751 -8.335 1.00 0.47 C ATOM 895 O ASP A 57 15.163 -7.683 -8.953 1.00 0.50 O ATOM 896 CB ASP A 57 17.344 -9.907 -7.965 1.00 0.67 C ATOM 897 CG ASP A 57 16.978 -11.344 -8.317 1.00 0.70 C ATOM 898 OD1 ASP A 57 16.317 -11.556 -9.357 1.00 0.77 O ATOM 899 OD2 ASP A 57 17.350 -12.255 -7.548 1.00 0.77 O ATOM 0 H ASP A 57 15.372 -10.802 -6.366 1.00 0.49 H new ATOM 0 HA ASP A 57 16.610 -8.170 -6.935 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.661 -9.391 -8.871 1.00 0.67 H new ATOM 0 HB3 ASP A 57 18.198 -9.916 -7.288 1.00 0.67 H new ATOM 904 N GLU A 58 14.100 -9.648 -8.513 1.00 0.46 N ATOM 905 CA GLU A 58 12.978 -9.405 -9.444 1.00 0.51 C ATOM 906 C GLU A 58 12.132 -8.200 -8.969 1.00 0.47 C ATOM 907 O GLU A 58 11.558 -7.482 -9.794 1.00 0.56 O ATOM 908 CB GLU A 58 12.100 -10.675 -9.577 1.00 0.60 C ATOM 909 CG GLU A 58 11.117 -10.643 -10.749 1.00 0.79 C ATOM 910 CD GLU A 58 10.417 -11.972 -10.983 1.00 0.92 C ATOM 911 OE1 GLU A 58 9.459 -12.279 -10.243 1.00 1.02 O ATOM 912 OE2 GLU A 58 10.827 -12.704 -11.911 1.00 1.09 O ATOM 0 H GLU A 58 14.050 -10.542 -8.025 1.00 0.46 H new ATOM 0 HA GLU A 58 13.387 -9.168 -10.426 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.751 -11.542 -9.688 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.540 -10.813 -8.652 1.00 0.60 H new ATOM 0 HG2 GLU A 58 10.368 -9.873 -10.565 1.00 0.79 H new ATOM 0 HG3 GLU A 58 11.652 -10.357 -11.655 1.00 0.79 H new ATOM 919 N LYS A 59 12.077 -7.984 -7.631 1.00 0.42 N ATOM 920 CA LYS A 59 11.332 -6.866 -7.027 1.00 0.47 C ATOM 921 C LYS A 59 12.220 -5.604 -6.904 1.00 0.53 C ATOM 922 O LYS A 59 11.719 -4.493 -7.075 1.00 0.91 O ATOM 923 CB LYS A 59 10.775 -7.280 -5.645 1.00 0.52 C ATOM 924 CG LYS A 59 9.622 -8.292 -5.714 1.00 0.60 C ATOM 925 CD LYS A 59 9.543 -9.182 -4.467 1.00 0.81 C ATOM 926 CE LYS A 59 8.355 -10.138 -4.526 1.00 1.17 C ATOM 927 NZ LYS A 59 8.336 -11.090 -3.376 1.00 1.55 N ATOM 0 H LYS A 59 12.547 -8.580 -6.949 1.00 0.42 H new ATOM 0 HA LYS A 59 10.496 -6.620 -7.682 1.00 0.47 H new ATOM 0 HB2 LYS A 59 11.584 -7.706 -5.052 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.431 -6.388 -5.121 1.00 0.52 H new ATOM 0 HG2 LYS A 59 8.680 -7.757 -5.834 1.00 0.60 H new ATOM 0 HG3 LYS A 59 9.747 -8.920 -6.596 1.00 0.60 H new ATOM 0 HD2 LYS A 59 10.465 -9.754 -4.370 1.00 0.81 H new ATOM 0 HD3 LYS A 59 9.462 -8.556 -3.578 1.00 0.81 H new ATOM 0 HE2 LYS A 59 7.429 -9.563 -4.534 1.00 1.17 H new ATOM 0 HE3 LYS A 59 8.390 -10.700 -5.459 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 7.512 -11.719 -3.459 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 9.207 -11.658 -3.381 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 8.276 -10.557 -2.485 1.00 1.55 H new ATOM 941 N MET A 60 13.539 -5.784 -6.623 1.00 0.39 N ATOM 942 CA MET A 60 14.493 -4.648 -6.490 1.00 0.41 C ATOM 943 C MET A 60 14.540 -3.779 -7.769 1.00 0.42 C ATOM 944 O MET A 60 14.635 -2.553 -7.670 1.00 0.46 O ATOM 945 CB MET A 60 15.906 -5.161 -6.134 1.00 0.45 C ATOM 946 CG MET A 60 16.908 -4.060 -5.775 1.00 0.53 C ATOM 947 SD MET A 60 18.512 -4.702 -5.235 1.00 0.66 S ATOM 948 CE MET A 60 19.345 -4.958 -6.802 1.00 0.84 C ATOM 0 H MET A 60 13.965 -6.701 -6.485 1.00 0.39 H new ATOM 0 HA MET A 60 14.132 -4.017 -5.678 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.827 -5.852 -5.294 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.296 -5.729 -6.978 1.00 0.45 H new ATOM 0 HG2 MET A 60 17.055 -3.415 -6.642 1.00 0.53 H new ATOM 0 HG3 MET A 60 16.488 -3.439 -4.984 1.00 0.53 H new ATOM 0 HE1 MET A 60 20.345 -5.352 -6.622 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.778 -5.668 -7.404 1.00 0.84 H new ATOM 0 HE3 MET A 60 19.419 -4.010 -7.334 1.00 0.84 H new ATOM 958 N LYS A 61 14.478 -4.416 -8.960 1.00 0.44 N ATOM 959 CA LYS A 61 14.487 -3.684 -10.247 1.00 0.49 C ATOM 960 C LYS A 61 13.200 -2.852 -10.413 1.00 0.46 C ATOM 961 O LYS A 61 13.230 -1.767 -11.005 1.00 0.49 O ATOM 962 CB LYS A 61 14.646 -4.654 -11.437 1.00 0.59 C ATOM 963 CG LYS A 61 16.048 -5.268 -11.577 1.00 0.70 C ATOM 964 CD LYS A 61 17.099 -4.268 -12.084 1.00 1.11 C ATOM 965 CE LYS A 61 16.857 -3.855 -13.537 1.00 1.90 C ATOM 966 NZ LYS A 61 17.971 -3.032 -14.090 1.00 2.56 N ATOM 0 H LYS A 61 14.421 -5.430 -9.057 1.00 0.44 H new ATOM 0 HA LYS A 61 15.342 -3.008 -10.236 1.00 0.49 H new ATOM 0 HB2 LYS A 61 13.919 -5.460 -11.332 1.00 0.59 H new ATOM 0 HB3 LYS A 61 14.402 -4.123 -12.357 1.00 0.59 H new ATOM 0 HG2 LYS A 61 16.365 -5.659 -10.610 1.00 0.70 H new ATOM 0 HG3 LYS A 61 16.000 -6.114 -12.263 1.00 0.70 H new ATOM 0 HD2 LYS A 61 17.088 -3.381 -11.450 1.00 1.11 H new ATOM 0 HD3 LYS A 61 18.091 -4.711 -11.995 1.00 1.11 H new ATOM 0 HE2 LYS A 61 16.731 -4.748 -14.149 1.00 1.90 H new ATOM 0 HE3 LYS A 61 15.926 -3.291 -13.601 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 17.759 -2.778 -15.076 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 18.076 -2.166 -13.524 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 18.856 -3.578 -14.056 1.00 2.56 H new ATOM 980 N SER A 62 12.074 -3.379 -9.891 1.00 0.44 N ATOM 981 CA SER A 62 10.777 -2.682 -9.934 1.00 0.46 C ATOM 982 C SER A 62 10.793 -1.438 -9.030 1.00 0.43 C ATOM 983 O SER A 62 10.194 -0.414 -9.374 1.00 0.47 O ATOM 984 CB SER A 62 9.644 -3.624 -9.500 1.00 0.53 C ATOM 985 OG SER A 62 9.640 -4.812 -10.274 1.00 0.61 O ATOM 0 H SER A 62 12.039 -4.290 -9.433 1.00 0.44 H new ATOM 0 HA SER A 62 10.602 -2.365 -10.962 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.760 -3.874 -8.445 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.685 -3.116 -9.604 1.00 0.53 H new ATOM 0 HG SER A 62 8.910 -5.394 -9.976 1.00 0.61 H new ATOM 991 N LEU A 63 11.497 -1.530 -7.873 1.00 0.40 N ATOM 992 CA LEU A 63 11.602 -0.408 -6.925 1.00 0.43 C ATOM 993 C LEU A 63 12.486 0.706 -7.507 1.00 0.45 C ATOM 994 O LEU A 63 12.015 1.826 -7.707 1.00 0.53 O ATOM 995 CB LEU A 63 12.155 -0.861 -5.546 1.00 0.45 C ATOM 996 CG LEU A 63 11.435 -2.052 -4.868 1.00 0.42 C ATOM 997 CD1 LEU A 63 12.229 -2.545 -3.655 1.00 0.48 C ATOM 998 CD2 LEU A 63 9.995 -1.698 -4.473 1.00 0.68 C ATOM 0 H LEU A 63 11.996 -2.370 -7.581 1.00 0.40 H new ATOM 0 HA LEU A 63 10.595 -0.023 -6.767 1.00 0.43 H new ATOM 0 HB2 LEU A 63 13.206 -1.124 -5.670 1.00 0.45 H new ATOM 0 HB3 LEU A 63 12.117 -0.009 -4.867 1.00 0.45 H new ATOM 0 HG LEU A 63 11.381 -2.860 -5.597 1.00 0.42 H new ATOM 0 HD11 LEU A 63 11.705 -3.382 -3.193 1.00 0.48 H new ATOM 0 HD12 LEU A 63 13.219 -2.869 -3.975 1.00 0.48 H new ATOM 0 HD13 LEU A 63 12.328 -1.736 -2.932 1.00 0.48 H new ATOM 0 HD21 LEU A 63 9.525 -2.560 -4.001 1.00 0.68 H new ATOM 0 HD22 LEU A 63 10.005 -0.862 -3.774 1.00 0.68 H new ATOM 0 HD23 LEU A 63 9.431 -1.420 -5.364 1.00 0.68 H new ATOM 1010 N ASP A 64 13.759 0.377 -7.820 1.00 0.45 N ATOM 1011 CA ASP A 64 14.701 1.355 -8.390 1.00 0.51 C ATOM 1012 C ASP A 64 14.454 1.510 -9.907 1.00 0.50 C ATOM 1013 O ASP A 64 15.095 0.842 -10.726 1.00 0.54 O ATOM 1014 CB ASP A 64 16.163 0.936 -8.093 1.00 0.60 C ATOM 1015 CG ASP A 64 17.145 2.099 -8.152 1.00 0.83 C ATOM 1016 OD1 ASP A 64 17.308 2.688 -9.242 1.00 1.28 O ATOM 1017 OD2 ASP A 64 17.745 2.421 -7.105 1.00 1.39 O ATOM 0 H ASP A 64 14.153 -0.555 -7.687 1.00 0.45 H new ATOM 0 HA ASP A 64 14.534 2.325 -7.921 1.00 0.51 H new ATOM 0 HB2 ASP A 64 16.209 0.480 -7.104 1.00 0.60 H new ATOM 0 HB3 ASP A 64 16.469 0.174 -8.810 1.00 0.60 H new ATOM 1022 N VAL A 65 13.494 2.389 -10.257 1.00 0.51 N ATOM 1023 CA VAL A 65 13.123 2.658 -11.664 1.00 0.55 C ATOM 1024 C VAL A 65 13.732 3.988 -12.181 1.00 0.55 C ATOM 1025 O VAL A 65 13.889 4.163 -13.391 1.00 0.60 O ATOM 1026 CB VAL A 65 11.562 2.647 -11.849 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.874 3.834 -11.154 1.00 0.67 C ATOM 1028 CG2 VAL A 65 11.167 2.577 -13.328 1.00 0.73 C ATOM 0 H VAL A 65 12.957 2.930 -9.579 1.00 0.51 H new ATOM 0 HA VAL A 65 13.544 1.853 -12.266 1.00 0.55 H new ATOM 0 HB VAL A 65 11.206 1.740 -11.360 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.797 3.776 -11.315 1.00 0.67 H new ATOM 0 HG12 VAL A 65 11.084 3.801 -10.085 1.00 0.67 H new ATOM 0 HG13 VAL A 65 11.253 4.768 -11.569 1.00 0.67 H new ATOM 0 HG21 VAL A 65 10.080 2.571 -13.415 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.568 3.444 -13.853 1.00 0.73 H new ATOM 0 HG23 VAL A 65 11.571 1.666 -13.770 1.00 0.73 H new ATOM 1038 N ASN A 66 14.070 4.915 -11.256 1.00 0.56 N ATOM 1039 CA ASN A 66 14.660 6.222 -11.613 1.00 0.60 C ATOM 1040 C ASN A 66 16.186 6.125 -11.883 1.00 0.59 C ATOM 1041 O ASN A 66 16.751 7.034 -12.502 1.00 0.66 O ATOM 1042 CB ASN A 66 14.367 7.248 -10.490 1.00 0.67 C ATOM 1043 CG ASN A 66 14.700 8.691 -10.873 1.00 0.94 C ATOM 1044 OD1 ASN A 66 13.866 9.399 -11.437 1.00 1.29 O ATOM 1045 ND2 ASN A 66 15.922 9.137 -10.566 1.00 1.44 N ATOM 0 H ASN A 66 13.943 4.779 -10.253 1.00 0.56 H new ATOM 0 HA ASN A 66 14.198 6.556 -12.542 1.00 0.60 H new ATOM 0 HB2 ASN A 66 13.313 7.187 -10.221 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.939 6.976 -9.603 1.00 0.67 H new ATOM 0 HD21 ASN A 66 16.189 10.093 -10.799 1.00 1.44 H new ATOM 0 HD22 ASN A 66 16.587 8.521 -10.098 1.00 1.44 H new ATOM 1052 N GLN A 67 16.847 5.030 -11.418 1.00 0.55 N ATOM 1053 CA GLN A 67 18.303 4.812 -11.604 1.00 0.60 C ATOM 1054 C GLN A 67 19.129 5.861 -10.824 1.00 0.63 C ATOM 1055 O GLN A 67 19.496 6.913 -11.369 1.00 0.78 O ATOM 1056 CB GLN A 67 18.706 4.789 -13.113 1.00 0.70 C ATOM 1057 CG GLN A 67 18.460 3.459 -13.837 1.00 0.88 C ATOM 1058 CD GLN A 67 16.985 3.108 -14.012 1.00 1.20 C ATOM 1059 OE1 GLN A 67 16.350 3.532 -14.979 1.00 1.96 O ATOM 1060 NE2 GLN A 67 16.434 2.315 -13.089 1.00 1.86 N ATOM 0 H GLN A 67 16.385 4.278 -10.906 1.00 0.55 H new ATOM 0 HA GLN A 67 18.533 3.828 -11.196 1.00 0.60 H new ATOM 0 HB2 GLN A 67 18.154 5.573 -13.631 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.764 5.037 -13.193 1.00 0.70 H new ATOM 0 HG2 GLN A 67 18.932 3.500 -14.819 1.00 0.88 H new ATOM 0 HG3 GLN A 67 18.949 2.659 -13.281 1.00 0.88 H new ATOM 0 HE21 GLN A 67 16.992 1.984 -12.302 1.00 1.86 H new ATOM 0 HE22 GLN A 67 15.455 2.041 -13.171 1.00 1.86 H new ATOM 1069 N ASP A 68 19.394 5.571 -9.529 1.00 0.62 N ATOM 1070 CA ASP A 68 20.176 6.467 -8.651 1.00 0.71 C ATOM 1071 C ASP A 68 20.766 5.679 -7.450 1.00 0.77 C ATOM 1072 O ASP A 68 21.947 5.327 -7.472 1.00 1.32 O ATOM 1073 CB ASP A 68 19.302 7.669 -8.187 1.00 0.78 C ATOM 1074 CG ASP A 68 20.054 8.693 -7.346 1.00 1.08 C ATOM 1075 OD1 ASP A 68 20.683 9.601 -7.933 1.00 1.41 O ATOM 1076 OD2 ASP A 68 20.007 8.590 -6.101 1.00 1.37 O ATOM 0 H ASP A 68 19.075 4.718 -9.069 1.00 0.62 H new ATOM 0 HA ASP A 68 21.016 6.871 -9.216 1.00 0.71 H new ATOM 0 HB2 ASP A 68 18.891 8.167 -9.065 1.00 0.78 H new ATOM 0 HB3 ASP A 68 18.458 7.290 -7.611 1.00 0.78 H new ATOM 1081 N SER A 69 19.921 5.386 -6.424 1.00 0.62 N ATOM 1082 CA SER A 69 20.324 4.649 -5.192 1.00 0.67 C ATOM 1083 C SER A 69 19.170 4.625 -4.163 1.00 0.68 C ATOM 1084 O SER A 69 18.894 3.587 -3.555 1.00 1.24 O ATOM 1085 CB SER A 69 21.574 5.273 -4.518 1.00 0.82 C ATOM 1086 OG SER A 69 21.960 4.542 -3.360 1.00 1.31 O ATOM 0 H SER A 69 18.937 5.655 -6.428 1.00 0.62 H new ATOM 0 HA SER A 69 20.567 3.634 -5.507 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.400 5.294 -5.229 1.00 0.82 H new ATOM 0 HB3 SER A 69 21.363 6.307 -4.244 1.00 0.82 H new ATOM 0 HG SER A 69 22.751 4.959 -2.959 1.00 1.31 H new ATOM 1092 N GLU A 70 18.501 5.787 -3.984 1.00 0.66 N ATOM 1093 CA GLU A 70 17.383 5.942 -3.027 1.00 0.77 C ATOM 1094 C GLU A 70 16.093 5.251 -3.509 1.00 0.64 C ATOM 1095 O GLU A 70 15.875 5.089 -4.714 1.00 0.75 O ATOM 1096 CB GLU A 70 17.099 7.439 -2.795 1.00 1.13 C ATOM 1097 CG GLU A 70 18.185 8.173 -2.012 1.00 1.41 C ATOM 1098 CD GLU A 70 18.140 9.679 -2.208 1.00 1.90 C ATOM 1099 OE1 GLU A 70 17.138 10.305 -1.801 1.00 2.42 O ATOM 1100 OE2 GLU A 70 19.108 10.229 -2.772 1.00 2.41 O ATOM 0 H GLU A 70 18.721 6.641 -4.497 1.00 0.66 H new ATOM 0 HA GLU A 70 17.689 5.462 -2.097 1.00 0.77 H new ATOM 0 HB2 GLU A 70 16.973 7.926 -3.762 1.00 1.13 H new ATOM 0 HB3 GLU A 70 16.153 7.539 -2.262 1.00 1.13 H new ATOM 0 HG2 GLU A 70 18.077 7.946 -0.951 1.00 1.41 H new ATOM 0 HG3 GLU A 70 19.162 7.801 -2.320 1.00 1.41 H new ATOM 1107 N LEU A 71 15.241 4.851 -2.537 1.00 0.57 N ATOM 1108 CA LEU A 71 13.954 4.196 -2.819 1.00 0.51 C ATOM 1109 C LEU A 71 12.798 5.012 -2.208 1.00 0.51 C ATOM 1110 O LEU A 71 12.363 4.746 -1.083 1.00 0.53 O ATOM 1111 CB LEU A 71 13.930 2.746 -2.272 1.00 0.53 C ATOM 1112 CG LEU A 71 14.791 1.704 -3.033 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.262 1.768 -2.607 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.234 0.292 -2.819 1.00 0.74 C ATOM 0 H LEU A 71 15.430 4.975 -1.542 1.00 0.57 H new ATOM 0 HA LEU A 71 13.828 4.151 -3.901 1.00 0.51 H new ATOM 0 HB2 LEU A 71 14.260 2.768 -1.233 1.00 0.53 H new ATOM 0 HB3 LEU A 71 12.897 2.399 -2.271 1.00 0.53 H new ATOM 0 HG LEU A 71 14.743 1.947 -4.095 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.834 1.024 -3.161 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.659 2.761 -2.817 1.00 0.95 H new ATOM 0 HD13 LEU A 71 16.341 1.565 -1.539 1.00 0.95 H new ATOM 0 HD21 LEU A 71 14.849 -0.428 -3.359 1.00 0.74 H new ATOM 0 HD22 LEU A 71 14.246 0.053 -1.756 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.210 0.245 -3.190 1.00 0.74 H new ATOM 1126 N LYS A 72 12.323 6.030 -2.956 1.00 0.53 N ATOM 1127 CA LYS A 72 11.194 6.898 -2.528 1.00 0.56 C ATOM 1128 C LYS A 72 9.922 6.042 -2.329 1.00 0.50 C ATOM 1129 O LYS A 72 9.891 4.906 -2.789 1.00 0.48 O ATOM 1130 CB LYS A 72 10.968 7.988 -3.604 1.00 0.63 C ATOM 1131 CG LYS A 72 10.080 9.164 -3.185 1.00 0.86 C ATOM 1132 CD LYS A 72 9.995 10.217 -4.296 1.00 1.00 C ATOM 1133 CE LYS A 72 9.066 11.381 -3.944 1.00 1.43 C ATOM 1134 NZ LYS A 72 7.644 10.957 -3.762 1.00 1.89 N ATOM 0 H LYS A 72 12.705 6.276 -3.869 1.00 0.53 H new ATOM 0 HA LYS A 72 11.427 7.380 -1.578 1.00 0.56 H new ATOM 0 HB2 LYS A 72 11.939 8.380 -3.907 1.00 0.63 H new ATOM 0 HB3 LYS A 72 10.526 7.518 -4.483 1.00 0.63 H new ATOM 0 HG2 LYS A 72 9.080 8.801 -2.947 1.00 0.86 H new ATOM 0 HG3 LYS A 72 10.479 9.619 -2.278 1.00 0.86 H new ATOM 0 HD2 LYS A 72 10.993 10.604 -4.500 1.00 1.00 H new ATOM 0 HD3 LYS A 72 9.644 9.743 -5.213 1.00 1.00 H new ATOM 0 HE2 LYS A 72 9.418 11.856 -3.028 1.00 1.43 H new ATOM 0 HE3 LYS A 72 9.118 12.132 -4.733 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 7.044 11.798 -3.643 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 7.331 10.423 -4.598 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 7.567 10.354 -2.918 1.00 1.89 H new ATOM 1148 N PHE A 73 8.882 6.561 -1.639 1.00 0.53 N ATOM 1149 CA PHE A 73 7.638 5.778 -1.426 1.00 0.50 C ATOM 1150 C PHE A 73 6.926 5.457 -2.759 1.00 0.47 C ATOM 1151 O PHE A 73 6.236 4.438 -2.848 1.00 0.47 O ATOM 1152 CB PHE A 73 6.672 6.473 -0.436 1.00 0.56 C ATOM 1153 CG PHE A 73 6.387 5.647 0.806 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.620 4.487 0.730 1.00 0.89 C ATOM 1155 CD2 PHE A 73 6.896 6.018 2.043 1.00 0.87 C ATOM 1156 CE1 PHE A 73 5.373 3.726 1.856 1.00 1.12 C ATOM 1157 CE2 PHE A 73 6.645 5.258 3.169 1.00 1.11 C ATOM 1158 CZ PHE A 73 5.885 4.112 3.074 1.00 1.20 C ATOM 0 H PHE A 73 8.874 7.495 -1.228 1.00 0.53 H new ATOM 0 HA PHE A 73 7.942 4.833 -0.975 1.00 0.50 H new ATOM 0 HB2 PHE A 73 7.097 7.431 -0.137 1.00 0.56 H new ATOM 0 HB3 PHE A 73 5.732 6.686 -0.945 1.00 0.56 H new ATOM 0 HD1 PHE A 73 5.213 4.178 -0.222 1.00 0.89 H new ATOM 0 HD2 PHE A 73 7.496 6.912 2.126 1.00 0.87 H new ATOM 0 HE1 PHE A 73 4.778 2.828 1.781 1.00 1.12 H new ATOM 0 HE2 PHE A 73 7.045 5.562 4.125 1.00 1.11 H new ATOM 0 HZ PHE A 73 5.691 3.517 3.955 1.00 1.20 H new ATOM 1168 N ASN A 74 7.077 6.332 -3.783 1.00 0.49 N ATOM 1169 CA ASN A 74 6.498 6.075 -5.121 1.00 0.51 C ATOM 1170 C ASN A 74 7.287 4.935 -5.812 1.00 0.49 C ATOM 1171 O ASN A 74 6.734 4.208 -6.643 1.00 0.53 O ATOM 1172 CB ASN A 74 6.507 7.355 -5.985 1.00 0.57 C ATOM 1173 CG ASN A 74 5.632 7.239 -7.236 1.00 0.65 C ATOM 1174 OD1 ASN A 74 6.112 6.857 -8.303 1.00 0.98 O ATOM 1175 ND2 ASN A 74 4.344 7.564 -7.115 1.00 0.91 N ATOM 0 H ASN A 74 7.589 7.211 -3.708 1.00 0.49 H new ATOM 0 HA ASN A 74 5.458 5.769 -5.004 1.00 0.51 H new ATOM 0 HB2 ASN A 74 6.161 8.195 -5.383 1.00 0.57 H new ATOM 0 HB3 ASN A 74 7.531 7.578 -6.284 1.00 0.57 H new ATOM 0 HD21 ASN A 74 3.724 7.500 -7.922 1.00 0.91 H new ATOM 0 HD22 ASN A 74 3.979 7.877 -6.215 1.00 0.91 H new ATOM 1182 N GLU A 75 8.591 4.814 -5.466 1.00 0.46 N ATOM 1183 CA GLU A 75 9.473 3.747 -5.976 1.00 0.47 C ATOM 1184 C GLU A 75 9.247 2.460 -5.156 1.00 0.43 C ATOM 1185 O GLU A 75 9.086 1.381 -5.721 1.00 0.44 O ATOM 1186 CB GLU A 75 10.953 4.185 -5.894 1.00 0.53 C ATOM 1187 CG GLU A 75 11.345 5.247 -6.924 1.00 0.61 C ATOM 1188 CD GLU A 75 12.726 5.829 -6.677 1.00 0.78 C ATOM 1189 OE1 GLU A 75 13.722 5.206 -7.107 1.00 0.98 O ATOM 1190 OE2 GLU A 75 12.812 6.909 -6.057 1.00 1.03 O ATOM 0 H GLU A 75 9.057 5.456 -4.825 1.00 0.46 H new ATOM 0 HA GLU A 75 9.233 3.553 -7.022 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.152 4.572 -4.895 1.00 0.53 H new ATOM 0 HB3 GLU A 75 11.588 3.310 -6.030 1.00 0.53 H new ATOM 0 HG2 GLU A 75 11.315 4.808 -7.921 1.00 0.61 H new ATOM 0 HG3 GLU A 75 10.609 6.051 -6.907 1.00 0.61 H new ATOM 1197 N TYR A 76 9.205 2.609 -3.808 1.00 0.42 N ATOM 1198 CA TYR A 76 8.971 1.495 -2.859 1.00 0.41 C ATOM 1199 C TYR A 76 7.518 0.963 -2.948 1.00 0.39 C ATOM 1200 O TYR A 76 7.235 -0.135 -2.458 1.00 0.52 O ATOM 1201 CB TYR A 76 9.287 1.965 -1.412 1.00 0.44 C ATOM 1202 CG TYR A 76 9.392 0.863 -0.347 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.176 -0.277 -0.541 1.00 0.52 C ATOM 1204 CD2 TYR A 76 8.712 0.980 0.867 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.274 -1.255 0.433 1.00 0.59 C ATOM 1206 CE2 TYR A 76 8.812 0.007 1.843 1.00 0.57 C ATOM 1207 CZ TYR A 76 9.590 -1.110 1.621 1.00 0.59 C ATOM 1208 OH TYR A 76 9.697 -2.087 2.592 1.00 0.69 O ATOM 0 H TYR A 76 9.333 3.510 -3.348 1.00 0.42 H new ATOM 0 HA TYR A 76 9.636 0.675 -3.128 1.00 0.41 H new ATOM 0 HB2 TYR A 76 10.228 2.516 -1.429 1.00 0.44 H new ATOM 0 HB3 TYR A 76 8.512 2.667 -1.103 1.00 0.44 H new ATOM 0 HD1 TYR A 76 10.716 -0.397 -1.469 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.096 1.848 1.047 1.00 0.51 H new ATOM 0 HE1 TYR A 76 10.885 -2.129 0.263 1.00 0.59 H new ATOM 0 HE2 TYR A 76 8.282 0.121 2.777 1.00 0.57 H new ATOM 0 HH TYR A 76 9.156 -1.836 3.370 1.00 0.69 H new ATOM 1218 N TRP A 77 6.608 1.754 -3.580 1.00 0.40 N ATOM 1219 CA TRP A 77 5.182 1.383 -3.774 1.00 0.42 C ATOM 1220 C TRP A 77 5.035 -0.031 -4.392 1.00 0.37 C ATOM 1221 O TRP A 77 4.065 -0.733 -4.091 1.00 0.39 O ATOM 1222 CB TRP A 77 4.479 2.478 -4.641 1.00 0.58 C ATOM 1223 CG TRP A 77 3.308 2.021 -5.487 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.075 1.631 -5.045 1.00 0.53 C ATOM 1225 CD2 TRP A 77 3.269 1.920 -6.921 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.281 1.284 -6.115 1.00 0.77 N ATOM 1227 CE2 TRP A 77 1.990 1.453 -7.274 1.00 0.97 C ATOM 1228 CE3 TRP A 77 4.193 2.177 -7.939 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 1.613 1.238 -8.598 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 3.817 1.964 -9.251 1.00 1.45 C ATOM 1231 CH2 TRP A 77 2.538 1.498 -9.570 1.00 1.62 C ATOM 0 H TRP A 77 6.845 2.667 -3.969 1.00 0.40 H new ATOM 0 HA TRP A 77 4.691 1.338 -2.802 1.00 0.42 H new ATOM 0 HB2 TRP A 77 4.132 3.269 -3.976 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.225 2.921 -5.301 1.00 0.58 H new ATOM 0 HD1 TRP A 77 1.769 1.600 -4.010 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.318 0.954 -6.054 1.00 0.77 H new ATOM 0 HE3 TRP A 77 5.184 2.536 -7.703 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 0.625 0.879 -8.847 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 4.523 2.161 -10.044 1.00 1.45 H new ATOM 0 HH2 TRP A 77 2.276 1.340 -10.606 1.00 1.62 H new ATOM 1242 N ARG A 78 6.008 -0.442 -5.240 1.00 0.39 N ATOM 1243 CA ARG A 78 5.994 -1.776 -5.881 1.00 0.42 C ATOM 1244 C ARG A 78 6.054 -2.907 -4.836 1.00 0.40 C ATOM 1245 O ARG A 78 5.383 -3.929 -5.002 1.00 0.45 O ATOM 1246 CB ARG A 78 7.152 -1.925 -6.894 1.00 0.49 C ATOM 1247 CG ARG A 78 7.090 -0.966 -8.091 1.00 0.64 C ATOM 1248 CD ARG A 78 5.987 -1.325 -9.104 1.00 0.82 C ATOM 1249 NE ARG A 78 6.516 -1.506 -10.467 1.00 1.11 N ATOM 1250 CZ ARG A 78 6.880 -0.512 -11.313 1.00 1.57 C ATOM 1251 NH1 ARG A 78 6.758 0.782 -10.969 1.00 1.96 N ATOM 1252 NH2 ARG A 78 7.369 -0.821 -12.514 1.00 1.93 N ATOM 0 H ARG A 78 6.812 0.132 -5.495 1.00 0.39 H new ATOM 0 HA ARG A 78 5.050 -1.860 -6.420 1.00 0.42 H new ATOM 0 HB2 ARG A 78 8.095 -1.770 -6.371 1.00 0.49 H new ATOM 0 HB3 ARG A 78 7.160 -2.949 -7.267 1.00 0.49 H new ATOM 0 HG2 ARG A 78 6.923 0.048 -7.727 1.00 0.64 H new ATOM 0 HG3 ARG A 78 8.054 -0.967 -8.599 1.00 0.64 H new ATOM 0 HD2 ARG A 78 5.489 -2.241 -8.786 1.00 0.82 H new ATOM 0 HD3 ARG A 78 5.233 -0.538 -9.111 1.00 0.82 H new ATOM 0 HE ARG A 78 6.617 -2.464 -10.803 1.00 1.11 H new ATOM 0 HH11 ARG A 78 6.385 1.033 -10.054 1.00 1.96 H new ATOM 0 HH12 ARG A 78 7.039 1.512 -11.623 1.00 1.96 H new ATOM 0 HH21 ARG A 78 7.466 -1.798 -12.789 1.00 1.93 H new ATOM 0 HH22 ARG A 78 7.646 -0.080 -13.158 1.00 1.93 H new ATOM 1266 N LEU A 79 6.855 -2.721 -3.758 1.00 0.37 N ATOM 1267 CA LEU A 79 6.958 -3.731 -2.689 1.00 0.37 C ATOM 1268 C LEU A 79 5.821 -3.572 -1.664 1.00 0.36 C ATOM 1269 O LEU A 79 5.336 -4.576 -1.145 1.00 0.39 O ATOM 1270 CB LEU A 79 8.329 -3.697 -1.970 1.00 0.40 C ATOM 1271 CG LEU A 79 8.704 -5.009 -1.234 1.00 0.44 C ATOM 1272 CD1 LEU A 79 9.155 -6.085 -2.225 1.00 0.49 C ATOM 1273 CD2 LEU A 79 9.770 -4.770 -0.161 1.00 0.53 C ATOM 0 H LEU A 79 7.430 -1.891 -3.611 1.00 0.37 H new ATOM 0 HA LEU A 79 6.866 -4.702 -3.175 1.00 0.37 H new ATOM 0 HB2 LEU A 79 9.104 -3.473 -2.703 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.326 -2.879 -1.249 1.00 0.40 H new ATOM 0 HG LEU A 79 7.807 -5.368 -0.729 1.00 0.44 H new ATOM 0 HD11 LEU A 79 9.412 -6.995 -1.682 1.00 0.49 H new ATOM 0 HD12 LEU A 79 8.347 -6.296 -2.925 1.00 0.49 H new ATOM 0 HD13 LEU A 79 10.028 -5.731 -2.774 1.00 0.49 H new ATOM 0 HD21 LEU A 79 10.007 -5.712 0.333 1.00 0.53 H new ATOM 0 HD22 LEU A 79 10.670 -4.368 -0.626 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.393 -4.060 0.575 1.00 0.53 H new ATOM 1285 N ILE A 80 5.394 -2.312 -1.376 1.00 0.38 N ATOM 1286 CA ILE A 80 4.285 -2.048 -0.420 1.00 0.41 C ATOM 1287 C ILE A 80 3.033 -2.864 -0.811 1.00 0.40 C ATOM 1288 O ILE A 80 2.318 -3.361 0.065 1.00 0.43 O ATOM 1289 CB ILE A 80 3.939 -0.517 -0.320 1.00 0.49 C ATOM 1290 CG1 ILE A 80 5.126 0.285 0.285 1.00 0.53 C ATOM 1291 CG2 ILE A 80 2.649 -0.257 0.482 1.00 0.59 C ATOM 1292 CD1 ILE A 80 5.459 -0.034 1.740 1.00 0.61 C ATOM 0 H ILE A 80 5.797 -1.471 -1.789 1.00 0.38 H new ATOM 0 HA ILE A 80 4.623 -2.365 0.566 1.00 0.41 H new ATOM 0 HB ILE A 80 3.763 -0.169 -1.338 1.00 0.49 H new ATOM 0 HG12 ILE A 80 6.013 0.101 -0.321 1.00 0.53 H new ATOM 0 HG13 ILE A 80 4.901 1.349 0.206 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.455 0.815 0.521 1.00 0.59 H new ATOM 0 HG22 ILE A 80 1.812 -0.760 -0.002 1.00 0.59 H new ATOM 0 HG23 ILE A 80 2.767 -0.642 1.495 1.00 0.59 H new ATOM 0 HD11 ILE A 80 6.300 0.579 2.064 1.00 0.61 H new ATOM 0 HD12 ILE A 80 4.593 0.179 2.367 1.00 0.61 H new ATOM 0 HD13 ILE A 80 5.722 -1.088 1.830 1.00 0.61 H new ATOM 1304 N GLY A 81 2.778 -2.985 -2.132 1.00 0.40 N ATOM 1305 CA GLY A 81 1.665 -3.789 -2.618 1.00 0.44 C ATOM 1306 C GLY A 81 1.905 -5.269 -2.356 1.00 0.41 C ATOM 1307 O GLY A 81 0.992 -5.973 -1.932 1.00 0.47 O ATOM 0 H GLY A 81 3.329 -2.537 -2.864 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.743 -3.474 -2.128 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.531 -3.622 -3.687 1.00 0.44 H new ATOM 1311 N GLU A 82 3.160 -5.732 -2.585 1.00 0.38 N ATOM 1312 CA GLU A 82 3.544 -7.139 -2.346 1.00 0.38 C ATOM 1313 C GLU A 82 3.416 -7.510 -0.852 1.00 0.36 C ATOM 1314 O GLU A 82 3.180 -8.672 -0.531 1.00 0.42 O ATOM 1315 CB GLU A 82 4.981 -7.422 -2.842 1.00 0.43 C ATOM 1316 CG GLU A 82 5.181 -7.266 -4.352 1.00 0.51 C ATOM 1317 CD GLU A 82 4.437 -8.308 -5.177 1.00 0.62 C ATOM 1318 OE1 GLU A 82 3.264 -8.062 -5.529 1.00 0.86 O ATOM 1319 OE2 GLU A 82 5.029 -9.372 -5.467 1.00 0.83 O ATOM 0 H GLU A 82 3.920 -5.148 -2.935 1.00 0.38 H new ATOM 0 HA GLU A 82 2.854 -7.761 -2.916 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.667 -6.749 -2.327 1.00 0.43 H new ATOM 0 HB3 GLU A 82 5.256 -8.437 -2.556 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.850 -6.272 -4.653 1.00 0.51 H new ATOM 0 HG3 GLU A 82 6.246 -7.329 -4.577 1.00 0.51 H new ATOM 1326 N LEU A 83 3.581 -6.523 0.062 1.00 0.36 N ATOM 1327 CA LEU A 83 3.430 -6.770 1.511 1.00 0.39 C ATOM 1328 C LEU A 83 1.962 -7.118 1.847 1.00 0.40 C ATOM 1329 O LEU A 83 1.699 -8.149 2.473 1.00 0.49 O ATOM 1330 CB LEU A 83 3.886 -5.543 2.352 1.00 0.44 C ATOM 1331 CG LEU A 83 5.375 -5.521 2.784 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.303 -5.224 1.610 1.00 0.67 C ATOM 1333 CD2 LEU A 83 5.596 -4.513 3.918 1.00 0.61 C ATOM 0 H LEU A 83 3.816 -5.560 -0.178 1.00 0.36 H new ATOM 0 HA LEU A 83 4.070 -7.614 1.768 1.00 0.39 H new ATOM 0 HB2 LEU A 83 3.683 -4.640 1.777 1.00 0.44 H new ATOM 0 HB3 LEU A 83 3.269 -5.495 3.249 1.00 0.44 H new ATOM 0 HG LEU A 83 5.622 -6.517 3.151 1.00 0.49 H new ATOM 0 HD11 LEU A 83 7.337 -5.218 1.956 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.181 -5.992 0.846 1.00 0.67 H new ATOM 0 HD13 LEU A 83 6.056 -4.250 1.188 1.00 0.67 H new ATOM 0 HD21 LEU A 83 6.647 -4.514 4.206 1.00 0.61 H new ATOM 0 HD22 LEU A 83 5.313 -3.516 3.579 1.00 0.61 H new ATOM 0 HD23 LEU A 83 4.985 -4.791 4.776 1.00 0.61 H new ATOM 1345 N ALA A 84 1.018 -6.257 1.402 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.429 -6.455 1.646 1.00 0.45 C ATOM 1347 C ALA A 84 -1.068 -7.492 0.687 1.00 0.45 C ATOM 1348 O ALA A 84 -2.201 -7.928 0.921 1.00 0.55 O ATOM 1349 CB ALA A 84 -1.166 -5.118 1.554 1.00 0.54 C ATOM 0 H ALA A 84 1.235 -5.414 0.869 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.528 -6.860 2.653 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -2.229 -5.275 1.735 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -0.768 -4.431 2.301 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -1.026 -4.693 0.560 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.346 -7.877 -0.387 1.00 0.42 N ATOM 1356 CA LYS A 85 -0.830 -8.868 -1.369 1.00 0.46 C ATOM 1357 C LYS A 85 -0.345 -10.282 -0.993 1.00 0.47 C ATOM 1358 O LYS A 85 -1.097 -11.253 -1.127 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.323 -8.500 -2.784 1.00 0.49 C ATOM 1360 CG LYS A 85 -0.902 -9.344 -3.931 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.046 -9.269 -5.207 1.00 0.64 C ATOM 1362 CE LYS A 85 -0.133 -7.909 -5.911 1.00 0.69 C ATOM 1363 NZ LYS A 85 0.652 -7.878 -7.181 1.00 0.96 N ATOM 0 H LYS A 85 0.583 -7.512 -0.596 1.00 0.42 H new ATOM 0 HA LYS A 85 -1.920 -8.859 -1.363 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.555 -7.452 -2.974 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.763 -8.594 -2.798 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -0.980 -10.383 -3.610 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -1.913 -9.003 -4.155 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.994 -9.474 -4.952 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -0.365 -10.050 -5.898 1.00 0.64 H new ATOM 0 HE2 LYS A 85 -1.177 -7.679 -6.126 1.00 0.69 H new ATOM 0 HE3 LYS A 85 0.233 -7.131 -5.241 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 0.443 -6.999 -7.697 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 1.668 -7.918 -6.962 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 0.392 -8.695 -7.770 1.00 0.96 H new ATOM 1377 N GLU A 86 0.915 -10.379 -0.515 1.00 0.42 N ATOM 1378 CA GLU A 86 1.534 -11.660 -0.126 1.00 0.46 C ATOM 1379 C GLU A 86 1.414 -11.918 1.401 1.00 0.52 C ATOM 1380 O GLU A 86 2.282 -12.575 1.991 1.00 0.92 O ATOM 1381 CB GLU A 86 3.021 -11.683 -0.574 1.00 0.49 C ATOM 1382 CG GLU A 86 3.256 -11.342 -2.053 1.00 0.55 C ATOM 1383 CD GLU A 86 2.749 -12.407 -3.012 1.00 1.03 C ATOM 1384 OE1 GLU A 86 1.524 -12.451 -3.260 1.00 1.65 O ATOM 1385 OE2 GLU A 86 3.577 -13.196 -3.516 1.00 1.52 O ATOM 0 H GLU A 86 1.528 -9.573 -0.389 1.00 0.42 H new ATOM 0 HA GLU A 86 0.996 -12.463 -0.629 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.581 -10.978 0.040 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.430 -12.674 -0.375 1.00 0.49 H new ATOM 0 HG2 GLU A 86 2.765 -10.396 -2.281 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.323 -11.195 -2.218 1.00 0.55 H new ATOM 1392 N ILE A 87 0.333 -11.403 2.036 1.00 0.44 N ATOM 1393 CA ILE A 87 0.090 -11.596 3.483 1.00 0.47 C ATOM 1394 C ILE A 87 -0.893 -12.755 3.712 1.00 0.51 C ATOM 1395 O ILE A 87 -0.643 -13.620 4.558 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.407 -10.268 4.190 1.00 0.51 C ATOM 1397 CG1 ILE A 87 -0.379 -10.385 5.753 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -1.779 -9.784 3.678 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -1.546 -11.123 6.407 1.00 0.66 C ATOM 0 H ILE A 87 -0.384 -10.850 1.566 1.00 0.44 H new ATOM 0 HA ILE A 87 1.043 -11.855 3.945 1.00 0.47 H new ATOM 0 HB ILE A 87 0.311 -9.498 3.908 1.00 0.51 H new ATOM 0 HG12 ILE A 87 0.545 -10.887 6.040 1.00 0.59 H new ATOM 0 HG13 ILE A 87 -0.337 -9.378 6.169 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -2.062 -8.871 4.202 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -1.718 -9.584 2.608 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.528 -10.554 3.861 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -1.409 -11.135 7.488 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -2.479 -10.615 6.165 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -1.584 -12.147 6.035 1.00 0.66 H new ATOM 1411 N ARG A 88 -1.987 -12.786 2.925 1.00 0.54 N ATOM 1412 CA ARG A 88 -3.019 -13.820 3.050 1.00 0.68 C ATOM 1413 C ARG A 88 -2.888 -14.908 1.960 1.00 0.68 C ATOM 1414 O ARG A 88 -3.121 -16.084 2.244 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.432 -13.173 3.067 1.00 0.83 C ATOM 1416 CG ARG A 88 -4.943 -12.584 1.737 1.00 0.91 C ATOM 1417 CD ARG A 88 -4.635 -11.091 1.580 1.00 1.05 C ATOM 1418 NE ARG A 88 -4.496 -10.696 0.166 1.00 1.18 N ATOM 1419 CZ ARG A 88 -4.702 -9.456 -0.324 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -5.128 -8.453 0.455 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -4.479 -9.227 -1.618 1.00 1.73 N ATOM 0 H ARG A 88 -2.174 -12.100 2.194 1.00 0.54 H new ATOM 0 HA ARG A 88 -2.872 -14.330 4.002 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.146 -13.925 3.402 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.433 -12.378 3.813 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -4.493 -13.130 0.908 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -6.020 -12.735 1.670 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -5.431 -10.507 2.042 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -3.715 -10.854 2.114 1.00 1.05 H new ATOM 0 HE ARG A 88 -4.221 -11.421 -0.497 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -5.305 -8.617 1.446 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -5.275 -7.525 0.057 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -4.158 -9.984 -2.222 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -4.630 -8.295 -2.004 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.498 -14.517 0.720 1.00 0.58 N ATOM 1436 CA LYS A 89 -2.348 -15.469 -0.399 1.00 0.64 C ATOM 1437 C LYS A 89 -0.963 -15.357 -1.092 1.00 0.58 C ATOM 1438 O LYS A 89 -0.883 -15.099 -2.299 1.00 0.69 O ATOM 1439 CB LYS A 89 -3.505 -15.281 -1.418 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.640 -13.862 -1.996 1.00 0.77 C ATOM 1441 CD LYS A 89 -4.369 -13.852 -3.342 1.00 1.00 C ATOM 1442 CE LYS A 89 -4.349 -12.471 -3.999 1.00 1.22 C ATOM 1443 NZ LYS A 89 -4.900 -12.498 -5.387 1.00 1.52 N ATOM 0 H LYS A 89 -2.283 -13.550 0.475 1.00 0.58 H new ATOM 0 HA LYS A 89 -2.403 -16.476 0.015 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -3.360 -15.980 -2.242 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -4.443 -15.550 -0.933 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -4.180 -13.233 -1.288 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -2.649 -13.426 -2.119 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -3.905 -14.577 -4.010 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -5.402 -14.168 -3.196 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -4.929 -11.774 -3.393 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -3.325 -12.097 -4.024 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -4.867 -11.541 -5.792 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -4.332 -13.142 -5.973 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -5.885 -12.829 -5.363 1.00 1.52 H new ATOM 1457 N LYS A 90 0.132 -15.555 -0.322 1.00 0.56 N ATOM 1458 CA LYS A 90 1.506 -15.513 -0.890 1.00 0.55 C ATOM 1459 C LYS A 90 1.743 -16.709 -1.846 1.00 0.55 C ATOM 1460 O LYS A 90 2.443 -16.574 -2.853 1.00 0.60 O ATOM 1461 CB LYS A 90 2.605 -15.443 0.211 1.00 0.61 C ATOM 1462 CG LYS A 90 2.882 -16.729 1.029 1.00 0.71 C ATOM 1463 CD LYS A 90 1.776 -17.098 2.035 1.00 0.97 C ATOM 1464 CE LYS A 90 1.476 -15.993 3.057 1.00 1.39 C ATOM 1465 NZ LYS A 90 2.668 -15.614 3.876 1.00 1.87 N ATOM 0 H LYS A 90 0.096 -15.743 0.680 1.00 0.56 H new ATOM 0 HA LYS A 90 1.585 -14.591 -1.466 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.538 -15.139 -0.264 1.00 0.61 H new ATOM 0 HB3 LYS A 90 2.331 -14.653 0.910 1.00 0.61 H new ATOM 0 HG2 LYS A 90 3.019 -17.561 0.338 1.00 0.71 H new ATOM 0 HG3 LYS A 90 3.820 -16.605 1.570 1.00 0.71 H new ATOM 0 HD2 LYS A 90 0.863 -17.332 1.488 1.00 0.97 H new ATOM 0 HD3 LYS A 90 2.069 -18.003 2.567 1.00 0.97 H new ATOM 0 HE2 LYS A 90 1.107 -15.111 2.533 1.00 1.39 H new ATOM 0 HE3 LYS A 90 0.678 -16.326 3.720 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 2.404 -14.865 4.547 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 3.007 -16.445 4.401 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 3.423 -15.268 3.250 1.00 1.87 H new ATOM 1479 N LYS A 91 1.150 -17.873 -1.498 1.00 0.57 N ATOM 1480 CA LYS A 91 1.221 -19.102 -2.307 1.00 0.64 C ATOM 1481 C LYS A 91 -0.196 -19.711 -2.384 1.00 0.69 C ATOM 1482 O LYS A 91 -0.488 -20.720 -1.737 1.00 0.71 O ATOM 1483 CB LYS A 91 2.226 -20.109 -1.701 1.00 0.72 C ATOM 1484 CG LYS A 91 3.699 -19.720 -1.868 1.00 0.85 C ATOM 1485 CD LYS A 91 4.630 -20.744 -1.208 1.00 0.97 C ATOM 1486 CE LYS A 91 6.101 -20.324 -1.266 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.695 -20.454 -2.630 1.00 1.53 N ATOM 0 H LYS A 91 0.606 -17.983 -0.642 1.00 0.57 H new ATOM 0 HA LYS A 91 1.576 -18.864 -3.310 1.00 0.64 H new ATOM 0 HB2 LYS A 91 2.012 -20.221 -0.638 1.00 0.72 H new ATOM 0 HB3 LYS A 91 2.067 -21.083 -2.163 1.00 0.72 H new ATOM 0 HG2 LYS A 91 3.937 -19.641 -2.929 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.869 -18.737 -1.429 1.00 0.85 H new ATOM 0 HD2 LYS A 91 4.335 -20.880 -0.167 1.00 0.97 H new ATOM 0 HD3 LYS A 91 4.511 -21.709 -1.701 1.00 0.97 H new ATOM 0 HE2 LYS A 91 6.190 -19.289 -0.935 1.00 1.29 H new ATOM 0 HE3 LYS A 91 6.674 -20.933 -0.567 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.691 -20.155 -2.605 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 6.639 -21.445 -2.940 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 6.170 -19.852 -3.296 1.00 1.53 H new ATOM 1501 N ASP A 92 -1.075 -19.068 -3.179 1.00 0.78 N ATOM 1502 CA ASP A 92 -2.489 -19.497 -3.334 1.00 0.87 C ATOM 1503 C ASP A 92 -2.642 -20.936 -3.870 1.00 1.03 C ATOM 1504 O ASP A 92 -3.578 -21.637 -3.479 1.00 1.81 O ATOM 1505 CB ASP A 92 -3.276 -18.512 -4.229 1.00 0.89 C ATOM 1506 CG ASP A 92 -2.668 -18.317 -5.615 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -3.029 -19.081 -6.536 1.00 1.18 O ATOM 1508 OD2 ASP A 92 -1.833 -17.403 -5.774 1.00 1.01 O ATOM 0 H ASP A 92 -0.833 -18.244 -3.729 1.00 0.78 H new ATOM 0 HA ASP A 92 -2.909 -19.489 -2.328 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -4.298 -18.873 -4.339 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -3.332 -17.546 -3.728 1.00 0.89 H new ATOM 1513 N LEU A 93 -1.728 -21.365 -4.763 1.00 0.67 N ATOM 1514 CA LEU A 93 -1.777 -22.718 -5.353 1.00 0.70 C ATOM 1515 C LEU A 93 -1.342 -23.806 -4.345 1.00 0.70 C ATOM 1516 O LEU A 93 -1.936 -24.888 -4.313 1.00 0.79 O ATOM 1517 CB LEU A 93 -0.893 -22.789 -6.624 1.00 0.77 C ATOM 1518 CG LEU A 93 -1.197 -23.959 -7.591 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -2.426 -23.656 -8.455 1.00 1.24 C ATOM 1520 CD2 LEU A 93 0.017 -24.274 -8.471 1.00 1.15 C ATOM 0 H LEU A 93 -0.948 -20.795 -5.091 1.00 0.67 H new ATOM 0 HA LEU A 93 -2.814 -22.913 -5.624 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -1.001 -21.853 -7.171 1.00 0.77 H new ATOM 0 HB3 LEU A 93 0.150 -22.859 -6.315 1.00 0.77 H new ATOM 0 HG LEU A 93 -1.417 -24.839 -6.987 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -2.616 -24.495 -9.124 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -3.293 -23.501 -7.813 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -2.244 -22.756 -9.043 1.00 1.24 H new ATOM 0 HD21 LEU A 93 -0.224 -25.100 -9.141 1.00 1.15 H new ATOM 0 HD22 LEU A 93 0.278 -23.394 -9.059 1.00 1.15 H new ATOM 0 HD23 LEU A 93 0.861 -24.553 -7.840 1.00 1.15 H new ATOM 1532 N LYS A 94 -0.308 -23.510 -3.524 1.00 0.70 N ATOM 1533 CA LYS A 94 0.219 -24.471 -2.529 1.00 0.77 C ATOM 1534 C LYS A 94 -0.667 -24.526 -1.266 1.00 0.71 C ATOM 1535 O LYS A 94 -1.145 -25.604 -0.892 1.00 0.77 O ATOM 1536 CB LYS A 94 1.681 -24.106 -2.158 1.00 0.92 C ATOM 1537 CG LYS A 94 2.455 -25.192 -1.396 1.00 1.09 C ATOM 1538 CD LYS A 94 3.001 -26.289 -2.319 1.00 1.23 C ATOM 1539 CE LYS A 94 3.887 -27.284 -1.564 1.00 1.57 C ATOM 1540 NZ LYS A 94 3.108 -28.151 -0.627 1.00 1.73 N ATOM 0 H LYS A 94 0.178 -22.613 -3.532 1.00 0.70 H new ATOM 0 HA LYS A 94 0.205 -25.464 -2.979 1.00 0.77 H new ATOM 0 HB2 LYS A 94 2.223 -23.872 -3.074 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.670 -23.199 -1.553 1.00 0.92 H new ATOM 0 HG2 LYS A 94 3.283 -24.732 -0.857 1.00 1.09 H new ATOM 0 HG3 LYS A 94 1.800 -25.643 -0.650 1.00 1.09 H new ATOM 0 HD2 LYS A 94 2.170 -26.822 -2.781 1.00 1.23 H new ATOM 0 HD3 LYS A 94 3.574 -25.832 -3.126 1.00 1.23 H new ATOM 0 HE2 LYS A 94 4.414 -27.913 -2.282 1.00 1.57 H new ATOM 0 HE3 LYS A 94 4.644 -26.737 -1.002 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 3.754 -28.806 -0.142 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 2.625 -27.556 0.076 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 2.402 -28.695 -1.163 1.00 1.73 H new ATOM 1554 N ILE A 95 -0.880 -23.362 -0.621 1.00 0.68 N ATOM 1555 CA ILE A 95 -1.700 -23.264 0.604 1.00 0.67 C ATOM 1556 C ILE A 95 -2.902 -22.318 0.404 1.00 0.67 C ATOM 1557 O ILE A 95 -2.817 -21.359 -0.372 1.00 0.77 O ATOM 1558 CB ILE A 95 -0.848 -22.793 1.837 1.00 0.75 C ATOM 1559 CG1 ILE A 95 -0.167 -21.413 1.577 1.00 0.87 C ATOM 1560 CG2 ILE A 95 0.198 -23.857 2.205 1.00 0.85 C ATOM 1561 CD1 ILE A 95 0.526 -20.807 2.790 1.00 1.06 C ATOM 0 H ILE A 95 -0.493 -22.471 -0.930 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.077 -24.266 0.810 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.528 -22.665 2.679 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.565 -21.529 0.778 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.921 -20.713 1.219 1.00 0.87 H new ATOM 0 HG21 ILE A 95 0.780 -23.515 3.061 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -0.306 -24.790 2.458 1.00 0.85 H new ATOM 0 HG23 ILE A 95 0.863 -24.022 1.357 1.00 0.85 H new ATOM 0 HD11 ILE A 95 0.970 -19.850 2.515 1.00 1.06 H new ATOM 0 HD12 ILE A 95 -0.202 -20.654 3.586 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.307 -21.483 3.138 1.00 1.06 H new ATOM 1573 N ARG A 96 -4.022 -22.600 1.103 1.00 0.71 N ATOM 1574 CA ARG A 96 -5.244 -21.770 1.017 1.00 0.77 C ATOM 1575 C ARG A 96 -5.924 -21.603 2.402 1.00 0.77 C ATOM 1576 O ARG A 96 -7.153 -21.683 2.508 1.00 0.93 O ATOM 1577 CB ARG A 96 -6.233 -22.357 -0.024 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.656 -23.814 0.226 1.00 1.05 C ATOM 1579 CD ARG A 96 -7.770 -24.261 -0.722 1.00 1.26 C ATOM 1580 NE ARG A 96 -9.067 -23.617 -0.421 1.00 1.40 N ATOM 1581 CZ ARG A 96 -10.101 -23.503 -1.285 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -10.020 -23.962 -2.541 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -11.231 -22.913 -0.883 1.00 2.18 N ATOM 0 H ARG A 96 -4.106 -23.397 1.734 1.00 0.71 H new ATOM 0 HA ARG A 96 -4.945 -20.776 0.683 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -7.127 -21.734 -0.044 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.777 -22.292 -1.012 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -5.792 -24.468 0.104 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -6.993 -23.921 1.257 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -7.483 -24.030 -1.748 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -7.883 -25.343 -0.659 1.00 1.26 H new ATOM 0 HE ARG A 96 -9.192 -23.228 0.513 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -9.163 -24.410 -2.866 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -10.815 -23.863 -3.172 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -11.308 -22.553 0.068 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -12.016 -22.822 -1.528 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.117 -21.357 3.461 1.00 0.72 N ATOM 1598 CA LYS A 97 -5.644 -21.177 4.836 1.00 0.75 C ATOM 1599 C LYS A 97 -4.568 -20.629 5.804 1.00 0.74 C ATOM 1600 O LYS A 97 -3.518 -21.253 5.984 1.00 0.95 O ATOM 1601 CB LYS A 97 -6.241 -22.501 5.387 1.00 0.87 C ATOM 1602 CG LYS A 97 -5.343 -23.733 5.226 1.00 0.94 C ATOM 1603 CD LYS A 97 -6.019 -25.003 5.747 1.00 1.10 C ATOM 1604 CE LYS A 97 -5.180 -26.258 5.492 1.00 1.36 C ATOM 1605 NZ LYS A 97 -3.945 -26.304 6.333 1.00 1.74 N ATOM 0 H LYS A 97 -4.102 -21.279 3.391 1.00 0.72 H new ATOM 0 HA LYS A 97 -6.441 -20.436 4.772 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -6.464 -22.369 6.446 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -7.188 -22.692 4.883 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -5.089 -23.862 4.174 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -4.408 -23.573 5.762 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -6.200 -24.902 6.817 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -6.992 -25.116 5.268 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -5.785 -27.142 5.693 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -4.900 -26.296 4.439 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -3.413 -27.173 6.122 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -3.352 -25.476 6.124 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -4.209 -26.296 7.339 1.00 1.74 H new ATOM 1619 N LYS A 98 -4.844 -19.454 6.417 1.00 0.69 N ATOM 1620 CA LYS A 98 -3.919 -18.821 7.380 1.00 0.72 C ATOM 1621 C LYS A 98 -4.678 -17.868 8.315 1.00 0.76 C ATOM 1622 O LYS A 98 -5.535 -18.292 9.092 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.792 -18.059 6.642 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.651 -17.583 7.553 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.614 -16.743 6.804 1.00 1.35 C ATOM 1626 CE LYS A 98 0.504 -16.244 7.727 1.00 1.61 C ATOM 1627 NZ LYS A 98 1.405 -17.342 8.191 1.00 1.71 N ATOM 0 H LYS A 98 -5.702 -18.926 6.260 1.00 0.69 H new ATOM 0 HA LYS A 98 -3.467 -19.611 7.980 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -2.378 -18.706 5.868 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -3.224 -17.194 6.138 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -2.066 -16.996 8.373 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -1.160 -18.449 7.997 1.00 1.04 H new ATOM 0 HD2 LYS A 98 -0.180 -17.337 5.999 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -1.107 -15.889 6.340 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.094 -15.493 7.202 1.00 1.61 H new ATOM 0 HE3 LYS A 98 0.061 -15.753 8.594 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 2.208 -16.935 8.712 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 0.876 -17.984 8.815 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 1.759 -17.872 7.369 1.00 1.71 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -5.071 -18.266 2.915 1.00 0.85 N ATOM 1643 CA MET B 1 -5.979 -17.387 2.178 1.00 0.86 C ATOM 1644 C MET B 1 -6.486 -16.219 3.054 1.00 0.76 C ATOM 1645 O MET B 1 -6.869 -15.179 2.517 1.00 0.93 O ATOM 1646 CB MET B 1 -7.163 -18.178 1.573 1.00 1.04 C ATOM 1647 CG MET B 1 -8.190 -18.707 2.583 1.00 1.09 C ATOM 1648 SD MET B 1 -9.551 -19.598 1.794 1.00 1.44 S ATOM 1649 CE MET B 1 -10.623 -19.913 3.194 1.00 1.75 C ATOM 0 H1 MET B 1 -4.700 -18.997 2.275 1.00 0.85 H new ATOM 0 H2 MET B 1 -4.281 -17.708 3.297 1.00 0.85 H new ATOM 0 H3 MET B 1 -5.585 -18.719 3.697 1.00 0.85 H new ATOM 0 HA MET B 1 -5.407 -16.956 1.356 1.00 0.86 H new ATOM 0 HB2 MET B 1 -7.679 -17.536 0.859 1.00 1.04 H new ATOM 0 HB3 MET B 1 -6.764 -19.023 1.011 1.00 1.04 H new ATOM 0 HG2 MET B 1 -7.690 -19.369 3.290 1.00 1.09 H new ATOM 0 HG3 MET B 1 -8.592 -17.872 3.157 1.00 1.09 H new ATOM 0 HE1 MET B 1 -11.507 -20.457 2.861 1.00 1.75 H new ATOM 0 HE2 MET B 1 -10.089 -20.508 3.935 1.00 1.75 H new ATOM 0 HE3 MET B 1 -10.927 -18.966 3.640 1.00 1.75 H new ATOM 1659 N ALA B 2 -6.495 -16.405 4.398 1.00 0.73 N ATOM 1660 CA ALA B 2 -6.958 -15.372 5.345 1.00 0.67 C ATOM 1661 C ALA B 2 -5.775 -14.627 5.983 1.00 0.60 C ATOM 1662 O ALA B 2 -4.704 -15.208 6.176 1.00 0.68 O ATOM 1663 CB ALA B 2 -7.835 -15.997 6.430 1.00 0.78 C ATOM 0 H ALA B 2 -6.184 -17.267 4.847 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.549 -14.648 4.784 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -8.168 -15.222 7.120 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -8.702 -16.470 5.969 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -7.261 -16.746 6.975 1.00 0.78 H new ATOM 1669 N ALA B 3 -5.982 -13.339 6.320 1.00 0.57 N ATOM 1670 CA ALA B 3 -4.937 -12.508 6.945 1.00 0.57 C ATOM 1671 C ALA B 3 -4.840 -12.771 8.461 1.00 0.58 C ATOM 1672 O ALA B 3 -5.866 -12.874 9.143 1.00 0.69 O ATOM 1673 CB ALA B 3 -5.194 -11.029 6.657 1.00 0.64 C ATOM 0 H ALA B 3 -6.865 -12.852 6.169 1.00 0.57 H new ATOM 0 HA ALA B 3 -3.977 -12.783 6.508 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -4.415 -10.427 7.124 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -5.185 -10.861 5.580 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -6.165 -10.743 7.061 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.594 -12.875 8.977 1.00 0.56 N ATOM 1680 CA GLU B 4 -3.338 -13.156 10.406 1.00 0.59 C ATOM 1681 C GLU B 4 -2.165 -12.289 10.942 1.00 0.56 C ATOM 1682 O GLU B 4 -1.224 -12.017 10.188 1.00 0.54 O ATOM 1683 CB GLU B 4 -3.023 -14.660 10.569 1.00 0.66 C ATOM 1684 CG GLU B 4 -3.272 -15.223 11.966 1.00 0.79 C ATOM 1685 CD GLU B 4 -3.167 -16.739 12.008 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -4.150 -17.414 11.630 1.00 1.10 O ATOM 1687 OE2 GLU B 4 -2.103 -17.252 12.410 1.00 1.00 O ATOM 0 H GLU B 4 -2.746 -12.768 8.420 1.00 0.56 H new ATOM 0 HA GLU B 4 -4.224 -12.902 10.988 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -3.625 -15.222 9.855 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -1.978 -14.828 10.307 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -2.552 -14.792 12.662 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -4.263 -14.921 12.305 1.00 0.79 H new ATOM 1694 N PRO B 5 -2.187 -11.846 12.249 1.00 0.62 N ATOM 1695 CA PRO B 5 -1.110 -11.017 12.831 1.00 0.65 C ATOM 1696 C PRO B 5 0.114 -11.849 13.272 1.00 0.59 C ATOM 1697 O PRO B 5 -0.048 -12.952 13.805 1.00 0.68 O ATOM 1698 CB PRO B 5 -1.781 -10.341 14.049 1.00 0.83 C ATOM 1699 CG PRO B 5 -3.171 -10.892 14.139 1.00 0.80 C ATOM 1700 CD PRO B 5 -3.232 -12.110 13.260 1.00 0.73 C ATOM 0 HA PRO B 5 -0.714 -10.308 12.104 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -1.223 -10.549 14.962 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -1.802 -9.258 13.927 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -3.415 -11.150 15.169 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -3.900 -10.149 13.815 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -3.029 -13.022 13.821 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -4.214 -12.229 12.803 1.00 0.73 H new ATOM 1708 N LEU B 6 1.336 -11.305 13.056 1.00 0.61 N ATOM 1709 CA LEU B 6 2.591 -12.003 13.424 1.00 0.70 C ATOM 1710 C LEU B 6 3.628 -11.038 14.044 1.00 0.73 C ATOM 1711 O LEU B 6 4.016 -11.211 15.204 1.00 1.24 O ATOM 1712 CB LEU B 6 3.201 -12.711 12.186 1.00 0.87 C ATOM 1713 CG LEU B 6 2.349 -13.838 11.552 1.00 0.95 C ATOM 1714 CD1 LEU B 6 2.917 -14.246 10.190 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.249 -15.058 12.481 1.00 1.08 C ATOM 0 H LEU B 6 1.479 -10.389 12.631 1.00 0.61 H new ATOM 0 HA LEU B 6 2.337 -12.749 14.178 1.00 0.70 H new ATOM 0 HB2 LEU B 6 3.395 -11.958 11.422 1.00 0.87 H new ATOM 0 HB3 LEU B 6 4.165 -13.131 12.472 1.00 0.87 H new ATOM 0 HG LEU B 6 1.342 -13.447 11.406 1.00 0.95 H new ATOM 0 HD11 LEU B 6 2.303 -15.039 9.763 1.00 1.18 H new ATOM 0 HD12 LEU B 6 2.914 -13.385 9.522 1.00 1.18 H new ATOM 0 HD13 LEU B 6 3.939 -14.605 10.315 1.00 1.18 H new ATOM 0 HD21 LEU B 6 1.644 -15.830 12.005 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.247 -15.449 12.677 1.00 1.08 H new ATOM 0 HD23 LEU B 6 1.784 -14.762 13.422 1.00 1.08 H new ATOM 1727 N THR B 7 4.066 -10.025 13.264 1.00 0.52 N ATOM 1728 CA THR B 7 5.074 -9.034 13.709 1.00 0.50 C ATOM 1729 C THR B 7 4.493 -7.602 13.644 1.00 0.48 C ATOM 1730 O THR B 7 3.412 -7.401 13.083 1.00 0.53 O ATOM 1731 CB THR B 7 6.367 -9.137 12.828 1.00 0.53 C ATOM 1732 OG1 THR B 7 6.545 -10.488 12.371 1.00 0.92 O ATOM 1733 CG2 THR B 7 7.625 -8.715 13.592 1.00 1.06 C ATOM 0 H THR B 7 3.733 -9.871 12.312 1.00 0.52 H new ATOM 0 HA THR B 7 5.339 -9.253 14.743 1.00 0.50 H new ATOM 0 HB THR B 7 6.230 -8.458 11.986 1.00 0.53 H new ATOM 0 HG1 THR B 7 6.358 -10.536 11.410 1.00 0.92 H new ATOM 0 HG21 THR B 7 8.494 -8.804 12.940 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.522 -7.681 13.920 1.00 1.06 H new ATOM 0 HG23 THR B 7 7.756 -9.360 14.461 1.00 1.06 H new ATOM 1741 N GLU B 8 5.210 -6.608 14.231 1.00 0.49 N ATOM 1742 CA GLU B 8 4.770 -5.189 14.236 1.00 0.49 C ATOM 1743 C GLU B 8 4.605 -4.625 12.804 1.00 0.44 C ATOM 1744 O GLU B 8 3.646 -3.899 12.540 1.00 0.47 O ATOM 1745 CB GLU B 8 5.761 -4.313 15.043 1.00 0.54 C ATOM 1746 CG GLU B 8 5.244 -2.906 15.369 1.00 0.95 C ATOM 1747 CD GLU B 8 6.186 -2.118 16.266 1.00 1.01 C ATOM 1748 OE1 GLU B 8 7.140 -1.507 15.739 1.00 1.29 O ATOM 1749 OE2 GLU B 8 5.966 -2.109 17.496 1.00 1.51 O ATOM 0 H GLU B 8 6.098 -6.765 14.708 1.00 0.49 H new ATOM 0 HA GLU B 8 3.792 -5.159 14.717 1.00 0.49 H new ATOM 0 HB2 GLU B 8 6.002 -4.823 15.976 1.00 0.54 H new ATOM 0 HB3 GLU B 8 6.690 -4.224 14.480 1.00 0.54 H new ATOM 0 HG2 GLU B 8 5.092 -2.357 14.440 1.00 0.95 H new ATOM 0 HG3 GLU B 8 4.271 -2.986 15.855 1.00 0.95 H new ATOM 1756 N LEU B 9 5.546 -4.961 11.894 1.00 0.42 N ATOM 1757 CA LEU B 9 5.498 -4.487 10.493 1.00 0.39 C ATOM 1758 C LEU B 9 4.484 -5.293 9.654 1.00 0.38 C ATOM 1759 O LEU B 9 3.814 -4.726 8.787 1.00 0.39 O ATOM 1760 CB LEU B 9 6.900 -4.555 9.850 1.00 0.41 C ATOM 1761 CG LEU B 9 7.962 -3.602 10.451 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.353 -3.940 9.914 1.00 0.63 C ATOM 1763 CD2 LEU B 9 7.623 -2.135 10.161 1.00 0.65 C ATOM 0 H LEU B 9 6.346 -5.557 12.104 1.00 0.42 H new ATOM 0 HA LEU B 9 5.166 -3.449 10.509 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.268 -5.578 9.933 1.00 0.41 H new ATOM 0 HB3 LEU B 9 6.803 -4.336 8.787 1.00 0.41 H new ATOM 0 HG LEU B 9 7.959 -3.742 11.532 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.086 -3.260 10.348 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.607 -4.966 10.182 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.359 -3.836 8.829 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.388 -1.492 10.596 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.586 -1.976 9.083 1.00 0.65 H new ATOM 0 HD23 LEU B 9 6.654 -1.892 10.597 1.00 0.65 H new ATOM 1775 N GLU B 10 4.387 -6.616 9.911 1.00 0.39 N ATOM 1776 CA GLU B 10 3.439 -7.500 9.195 1.00 0.41 C ATOM 1777 C GLU B 10 1.984 -7.214 9.616 1.00 0.42 C ATOM 1778 O GLU B 10 1.069 -7.325 8.796 1.00 0.47 O ATOM 1779 CB GLU B 10 3.777 -8.979 9.452 1.00 0.46 C ATOM 1780 CG GLU B 10 5.134 -9.411 8.901 1.00 0.50 C ATOM 1781 CD GLU B 10 5.348 -10.915 8.961 1.00 0.56 C ATOM 1782 OE1 GLU B 10 4.639 -11.646 8.233 1.00 0.95 O ATOM 1783 OE2 GLU B 10 6.227 -11.363 9.727 1.00 0.95 O ATOM 0 H GLU B 10 4.954 -7.096 10.610 1.00 0.39 H new ATOM 0 HA GLU B 10 3.536 -7.294 8.129 1.00 0.41 H new ATOM 0 HB2 GLU B 10 3.757 -9.164 10.526 1.00 0.46 H new ATOM 0 HB3 GLU B 10 3.001 -9.601 9.007 1.00 0.46 H new ATOM 0 HG2 GLU B 10 5.223 -9.078 7.867 1.00 0.50 H new ATOM 0 HG3 GLU B 10 5.924 -8.914 9.465 1.00 0.50 H new ATOM 1790 N GLU B 11 1.777 -6.853 10.905 1.00 0.42 N ATOM 1791 CA GLU B 11 0.438 -6.528 11.431 1.00 0.45 C ATOM 1792 C GLU B 11 -0.056 -5.177 10.876 1.00 0.43 C ATOM 1793 O GLU B 11 -1.247 -5.020 10.623 1.00 0.45 O ATOM 1794 CB GLU B 11 0.440 -6.508 12.979 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.945 -6.329 13.611 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.915 -6.403 15.128 1.00 0.70 C ATOM 1797 OE1 GLU B 11 -0.546 -5.393 15.763 1.00 0.85 O ATOM 1798 OE2 GLU B 11 -1.258 -7.471 15.677 1.00 0.82 O ATOM 0 H GLU B 11 2.523 -6.781 11.596 1.00 0.42 H new ATOM 0 HA GLU B 11 -0.248 -7.308 11.101 1.00 0.45 H new ATOM 0 HB2 GLU B 11 0.874 -7.440 13.342 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.088 -5.701 13.319 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -1.356 -5.366 13.307 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -1.616 -7.098 13.228 1.00 0.62 H new ATOM 1805 N SER B 12 0.873 -4.206 10.688 1.00 0.43 N ATOM 1806 CA SER B 12 0.535 -2.867 10.152 1.00 0.44 C ATOM 1807 C SER B 12 -0.165 -2.958 8.778 1.00 0.42 C ATOM 1808 O SER B 12 -1.200 -2.319 8.566 1.00 0.47 O ATOM 1809 CB SER B 12 1.803 -2.000 10.049 1.00 0.48 C ATOM 1810 OG SER B 12 2.273 -1.629 11.335 1.00 0.56 O ATOM 0 H SER B 12 1.863 -4.328 10.901 1.00 0.43 H new ATOM 0 HA SER B 12 -0.164 -2.400 10.846 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.581 -2.549 9.518 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.589 -1.105 9.464 1.00 0.48 H new ATOM 0 HG SER B 12 2.735 -2.389 11.746 1.00 0.56 H new ATOM 1816 N ILE B 13 0.409 -3.752 7.854 1.00 0.40 N ATOM 1817 CA ILE B 13 -0.176 -3.954 6.506 1.00 0.41 C ATOM 1818 C ILE B 13 -1.395 -4.909 6.551 1.00 0.41 C ATOM 1819 O ILE B 13 -2.282 -4.822 5.698 1.00 0.48 O ATOM 1820 CB ILE B 13 0.880 -4.461 5.454 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.596 -5.777 5.895 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.914 -3.360 5.170 1.00 0.53 C ATOM 1823 CD1 ILE B 13 0.892 -7.056 5.480 1.00 0.45 C ATOM 0 H ILE B 13 1.276 -4.265 8.012 1.00 0.40 H new ATOM 0 HA ILE B 13 -0.516 -2.972 6.176 1.00 0.41 H new ATOM 0 HB ILE B 13 0.331 -4.694 4.542 1.00 0.46 H new ATOM 0 HG12 ILE B 13 2.604 -5.782 5.479 1.00 0.45 H new ATOM 0 HG13 ILE B 13 1.699 -5.772 6.980 1.00 0.45 H new ATOM 0 HG21 ILE B 13 2.639 -3.721 4.441 1.00 0.53 H new ATOM 0 HG22 ILE B 13 1.408 -2.480 4.773 1.00 0.53 H new ATOM 0 HG23 ILE B 13 2.428 -3.097 6.094 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.463 -7.916 5.830 1.00 0.45 H new ATOM 0 HD12 ILE B 13 -0.106 -7.080 5.918 1.00 0.45 H new ATOM 0 HD13 ILE B 13 0.813 -7.092 4.393 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.429 -5.812 7.562 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.530 -6.783 7.744 1.00 0.43 C ATOM 1837 C GLU B 14 -3.801 -6.115 8.322 1.00 0.45 C ATOM 1838 O GLU B 14 -4.914 -6.549 8.012 1.00 0.48 O ATOM 1839 CB GLU B 14 -2.049 -7.942 8.657 1.00 0.46 C ATOM 1840 CG GLU B 14 -3.129 -8.947 9.098 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.678 -8.689 10.503 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -3.722 -7.516 10.933 1.00 0.92 O ATOM 1843 OE2 GLU B 14 -4.064 -9.671 11.172 1.00 1.00 O ATOM 0 H GLU B 14 -0.697 -5.886 8.269 1.00 0.40 H new ATOM 0 HA GLU B 14 -2.802 -7.181 6.766 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -1.264 -8.489 8.134 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.596 -7.511 9.550 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -3.953 -8.916 8.385 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -2.712 -9.953 9.060 1.00 0.57 H new ATOM 1850 N THR B 15 -3.628 -5.072 9.170 1.00 0.45 N ATOM 1851 CA THR B 15 -4.761 -4.347 9.795 1.00 0.49 C ATOM 1852 C THR B 15 -5.682 -3.686 8.741 1.00 0.47 C ATOM 1853 O THR B 15 -6.890 -3.576 8.965 1.00 0.50 O ATOM 1854 CB THR B 15 -4.261 -3.268 10.808 1.00 0.54 C ATOM 1855 OG1 THR B 15 -3.325 -3.853 11.726 1.00 0.75 O ATOM 1856 CG2 THR B 15 -5.410 -2.646 11.610 1.00 0.88 C ATOM 0 H THR B 15 -2.711 -4.713 9.437 1.00 0.45 H new ATOM 0 HA THR B 15 -5.342 -5.095 10.335 1.00 0.49 H new ATOM 0 HB THR B 15 -3.786 -2.480 10.223 1.00 0.54 H new ATOM 0 HG1 THR B 15 -2.448 -3.930 11.295 1.00 0.75 H new ATOM 0 HG21 THR B 15 -5.011 -1.902 12.300 1.00 0.88 H new ATOM 0 HG22 THR B 15 -6.113 -2.168 10.928 1.00 0.88 H new ATOM 0 HG23 THR B 15 -5.924 -3.425 12.173 1.00 0.88 H new ATOM 1864 N VAL B 16 -5.108 -3.259 7.595 1.00 0.45 N ATOM 1865 CA VAL B 16 -5.886 -2.614 6.510 1.00 0.47 C ATOM 1866 C VAL B 16 -6.842 -3.626 5.833 1.00 0.47 C ATOM 1867 O VAL B 16 -7.927 -3.242 5.386 1.00 0.52 O ATOM 1868 CB VAL B 16 -4.948 -1.952 5.436 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.745 -1.259 4.317 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -3.980 -0.957 6.093 1.00 0.53 C ATOM 0 H VAL B 16 -4.112 -3.348 7.396 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.481 -1.825 6.969 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.372 -2.757 4.980 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -5.055 -0.816 3.599 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.374 -1.991 3.811 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.372 -0.477 4.747 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.342 -0.512 5.330 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -4.548 -0.173 6.593 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.362 -1.479 6.824 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.433 -4.912 5.765 1.00 0.46 N ATOM 1881 CA VAL B 17 -7.249 -5.975 5.145 1.00 0.50 C ATOM 1882 C VAL B 17 -8.284 -6.545 6.140 1.00 0.57 C ATOM 1883 O VAL B 17 -9.476 -6.579 5.830 1.00 0.97 O ATOM 1884 CB VAL B 17 -6.363 -7.152 4.599 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -7.201 -8.182 3.826 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -5.218 -6.632 3.720 1.00 0.55 C ATOM 0 H VAL B 17 -5.540 -5.238 6.134 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.770 -5.510 4.308 1.00 0.50 H new ATOM 0 HB VAL B 17 -5.930 -7.650 5.467 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -6.553 -8.980 3.464 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -7.960 -8.602 4.486 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -7.685 -7.695 2.979 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -4.625 -7.473 3.359 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -5.630 -6.088 2.870 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -4.584 -5.966 4.305 1.00 0.55 H new ATOM 1896 N THR B 18 -7.814 -6.975 7.332 1.00 0.50 N ATOM 1897 CA THR B 18 -8.674 -7.596 8.371 1.00 0.52 C ATOM 1898 C THR B 18 -9.827 -6.694 8.863 1.00 0.54 C ATOM 1899 O THR B 18 -10.969 -7.161 8.964 1.00 0.67 O ATOM 1900 CB THR B 18 -7.844 -8.062 9.609 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.023 -6.990 10.086 1.00 0.58 O ATOM 1902 CG2 THR B 18 -6.961 -9.266 9.282 1.00 0.62 C ATOM 0 H THR B 18 -6.833 -6.903 7.603 1.00 0.50 H new ATOM 0 HA THR B 18 -9.118 -8.455 7.869 1.00 0.52 H new ATOM 0 HB THR B 18 -8.554 -8.359 10.381 1.00 0.56 H new ATOM 0 HG1 THR B 18 -6.275 -6.851 9.468 1.00 0.58 H new ATOM 0 HG21 THR B 18 -6.401 -9.558 10.170 1.00 0.62 H new ATOM 0 HG22 THR B 18 -7.586 -10.098 8.957 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.266 -9.002 8.485 1.00 0.62 H new ATOM 1910 N THR B 19 -9.533 -5.415 9.165 1.00 0.53 N ATOM 1911 CA THR B 19 -10.550 -4.471 9.678 1.00 0.57 C ATOM 1912 C THR B 19 -11.659 -4.164 8.645 1.00 0.57 C ATOM 1913 O THR B 19 -12.842 -4.232 8.988 1.00 0.66 O ATOM 1914 CB THR B 19 -9.898 -3.142 10.162 1.00 0.60 C ATOM 1915 OG1 THR B 19 -8.828 -3.429 11.073 1.00 0.61 O ATOM 1916 CG2 THR B 19 -10.903 -2.220 10.861 1.00 0.69 C ATOM 0 H THR B 19 -8.602 -5.010 9.064 1.00 0.53 H new ATOM 0 HA THR B 19 -11.019 -4.970 10.526 1.00 0.57 H new ATOM 0 HB THR B 19 -9.525 -2.629 9.276 1.00 0.60 H new ATOM 0 HG1 THR B 19 -7.989 -3.519 10.574 1.00 0.61 H new ATOM 0 HG21 THR B 19 -10.399 -1.307 11.179 1.00 0.69 H new ATOM 0 HG22 THR B 19 -11.707 -1.968 10.170 1.00 0.69 H new ATOM 0 HG23 THR B 19 -11.318 -2.728 11.732 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.276 -3.835 7.392 1.00 0.56 N ATOM 1925 CA PHE B 20 -12.259 -3.504 6.335 1.00 0.60 C ATOM 1926 C PHE B 20 -12.672 -4.736 5.481 1.00 0.60 C ATOM 1927 O PHE B 20 -13.213 -4.561 4.382 1.00 0.94 O ATOM 1928 CB PHE B 20 -11.711 -2.365 5.434 1.00 0.68 C ATOM 1929 CG PHE B 20 -12.782 -1.544 4.724 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -13.657 -0.734 5.444 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -12.913 -1.580 3.339 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -14.628 0.013 4.801 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -13.883 -0.830 2.696 1.00 0.90 C ATOM 1934 CZ PHE B 20 -14.741 -0.036 3.428 1.00 0.97 C ATOM 0 H PHE B 20 -10.303 -3.791 7.089 1.00 0.56 H new ATOM 0 HA PHE B 20 -13.165 -3.164 6.837 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -11.105 -1.696 6.045 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -11.049 -2.799 4.685 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -13.576 -0.688 6.520 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -12.249 -2.202 2.757 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -15.298 0.635 5.375 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -13.968 -0.867 1.620 1.00 0.90 H new ATOM 0 HZ PHE B 20 -15.500 0.546 2.926 1.00 0.97 H new ATOM 1944 N PHE B 21 -12.442 -5.980 5.978 1.00 0.71 N ATOM 1945 CA PHE B 21 -12.841 -7.197 5.233 1.00 0.72 C ATOM 1946 C PHE B 21 -14.367 -7.419 5.316 1.00 0.68 C ATOM 1947 O PHE B 21 -14.946 -8.030 4.417 1.00 0.71 O ATOM 1948 CB PHE B 21 -12.085 -8.457 5.729 1.00 1.01 C ATOM 1949 CG PHE B 21 -12.279 -9.677 4.842 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -11.733 -9.725 3.560 1.00 1.93 C ATOM 1951 CD2 PHE B 21 -13.024 -10.764 5.282 1.00 2.26 C ATOM 1952 CE1 PHE B 21 -11.925 -10.827 2.750 1.00 2.67 C ATOM 1953 CE2 PHE B 21 -13.217 -11.865 4.469 1.00 2.92 C ATOM 1954 CZ PHE B 21 -12.669 -11.895 3.204 1.00 3.08 C ATOM 0 H PHE B 21 -11.991 -6.162 6.874 1.00 0.71 H new ATOM 0 HA PHE B 21 -12.566 -7.037 4.191 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -11.021 -8.230 5.791 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -12.419 -8.696 6.738 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -11.153 -8.890 3.196 1.00 1.93 H new ATOM 0 HD2 PHE B 21 -13.457 -10.749 6.271 1.00 2.26 H new ATOM 0 HE1 PHE B 21 -11.492 -10.852 1.761 1.00 2.67 H new ATOM 0 HE2 PHE B 21 -13.798 -12.703 4.825 1.00 2.92 H new ATOM 0 HZ PHE B 21 -12.823 -12.755 2.569 1.00 3.08 H new ATOM 1964 N THR B 22 -15.009 -6.921 6.402 1.00 0.76 N ATOM 1965 CA THR B 22 -16.470 -7.039 6.593 1.00 0.91 C ATOM 1966 C THR B 22 -17.236 -6.334 5.448 1.00 0.84 C ATOM 1967 O THR B 22 -18.221 -6.876 4.934 1.00 1.01 O ATOM 1968 CB THR B 22 -16.904 -6.448 7.974 1.00 1.10 C ATOM 1969 OG1 THR B 22 -16.132 -7.043 9.034 1.00 1.23 O ATOM 1970 CG2 THR B 22 -18.396 -6.654 8.256 1.00 1.37 C ATOM 0 H THR B 22 -14.532 -6.432 7.160 1.00 0.76 H new ATOM 0 HA THR B 22 -16.721 -8.100 6.577 1.00 0.91 H new ATOM 0 HB THR B 22 -16.718 -5.375 7.931 1.00 1.10 H new ATOM 0 HG1 THR B 22 -16.411 -6.664 9.894 1.00 1.23 H new ATOM 0 HG21 THR B 22 -18.645 -6.226 9.227 1.00 1.37 H new ATOM 0 HG22 THR B 22 -18.984 -6.163 7.481 1.00 1.37 H new ATOM 0 HG23 THR B 22 -18.621 -7.720 8.261 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.774 -5.127 5.061 1.00 0.69 N ATOM 1979 CA PHE B 23 -17.394 -4.359 3.962 1.00 0.75 C ATOM 1980 C PHE B 23 -16.916 -4.882 2.591 1.00 0.70 C ATOM 1981 O PHE B 23 -17.715 -4.986 1.657 1.00 0.83 O ATOM 1982 CB PHE B 23 -17.070 -2.851 4.082 1.00 0.84 C ATOM 1983 CG PHE B 23 -17.663 -2.167 5.302 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -18.935 -1.612 5.255 1.00 1.32 C ATOM 1985 CD2 PHE B 23 -16.940 -2.070 6.490 1.00 1.03 C ATOM 1986 CE1 PHE B 23 -19.473 -0.976 6.357 1.00 1.54 C ATOM 1987 CE2 PHE B 23 -17.478 -1.436 7.593 1.00 1.27 C ATOM 1988 CZ PHE B 23 -18.746 -0.889 7.527 1.00 1.48 C ATOM 0 H PHE B 23 -15.974 -4.664 5.493 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.473 -4.492 4.039 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -15.987 -2.727 4.104 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -17.431 -2.344 3.187 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -19.512 -1.678 4.344 1.00 1.32 H new ATOM 0 HD2 PHE B 23 -15.949 -2.495 6.549 1.00 1.03 H new ATOM 0 HE1 PHE B 23 -20.463 -0.547 6.303 1.00 1.54 H new ATOM 0 HE2 PHE B 23 -16.908 -1.368 8.508 1.00 1.27 H new ATOM 0 HZ PHE B 23 -19.167 -0.394 8.390 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.611 -5.226 2.491 1.00 0.61 N ATOM 1999 CA ALA B 24 -15.001 -5.735 1.240 1.00 0.67 C ATOM 2000 C ALA B 24 -15.635 -7.050 0.738 1.00 0.65 C ATOM 2001 O ALA B 24 -15.658 -7.294 -0.473 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.493 -5.926 1.427 1.00 0.77 C ATOM 0 H ALA B 24 -14.955 -5.159 3.269 1.00 0.61 H new ATOM 0 HA ALA B 24 -15.194 -4.981 0.477 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -13.056 -6.300 0.501 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -13.035 -4.971 1.685 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -13.314 -6.643 2.228 1.00 0.77 H new ATOM 2008 N ARG B 25 -16.147 -7.894 1.663 1.00 0.62 N ATOM 2009 CA ARG B 25 -16.769 -9.184 1.290 1.00 0.68 C ATOM 2010 C ARG B 25 -18.289 -9.066 0.991 1.00 0.70 C ATOM 2011 O ARG B 25 -18.960 -10.090 0.818 1.00 0.87 O ATOM 2012 CB ARG B 25 -16.506 -10.245 2.386 1.00 0.77 C ATOM 2013 CG ARG B 25 -17.239 -10.016 3.713 1.00 0.80 C ATOM 2014 CD ARG B 25 -16.660 -10.879 4.831 1.00 1.01 C ATOM 2015 NE ARG B 25 -17.437 -10.812 6.080 1.00 1.10 N ATOM 2016 CZ ARG B 25 -17.046 -11.342 7.259 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -15.878 -11.993 7.378 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -17.832 -11.223 8.327 1.00 1.48 N ATOM 0 H ARG B 25 -16.142 -7.706 2.666 1.00 0.62 H new ATOM 0 HA ARG B 25 -16.299 -9.502 0.360 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -16.791 -11.223 1.997 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -15.435 -10.281 2.584 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -17.169 -8.964 3.991 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -18.298 -10.243 3.588 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -16.615 -11.915 4.495 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -15.636 -10.564 5.031 1.00 1.01 H new ATOM 0 HE ARG B 25 -18.336 -10.330 6.053 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -15.266 -12.095 6.568 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -15.602 -12.386 8.278 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -18.724 -10.734 8.252 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -17.542 -11.621 9.220 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.825 -7.827 0.909 1.00 0.71 N ATOM 2033 CA GLN B 26 -20.255 -7.601 0.622 1.00 0.79 C ATOM 2034 C GLN B 26 -20.566 -7.854 -0.873 1.00 0.73 C ATOM 2035 O GLN B 26 -21.627 -8.387 -1.204 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.657 -6.166 1.033 1.00 0.90 C ATOM 2037 CG GLN B 26 -22.169 -5.906 1.064 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.537 -4.538 1.648 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -21.845 -4.016 2.526 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -23.637 -3.948 1.173 1.00 1.68 N ATOM 0 H GLN B 26 -18.287 -6.970 1.038 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.843 -8.309 1.207 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -20.246 -5.957 2.021 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.195 -5.462 0.341 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.564 -5.979 0.051 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -22.653 -6.686 1.652 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -24.188 -4.406 0.447 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -23.926 -3.040 1.536 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.628 -7.459 -1.761 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.764 -7.645 -3.219 1.00 0.71 C ATOM 2051 C GLU B 27 -18.754 -8.702 -3.729 1.00 0.88 C ATOM 2052 O GLU B 27 -18.046 -9.317 -2.924 1.00 1.45 O ATOM 2053 CB GLU B 27 -19.581 -6.281 -3.938 1.00 0.83 C ATOM 2054 CG GLU B 27 -20.862 -5.446 -4.035 1.00 0.93 C ATOM 2055 CD GLU B 27 -21.833 -5.961 -5.090 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -22.622 -6.879 -4.775 1.00 1.16 O ATOM 2057 OE2 GLU B 27 -21.800 -5.452 -6.230 1.00 1.23 O ATOM 0 H GLU B 27 -18.758 -7.003 -1.486 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.763 -8.018 -3.445 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -18.823 -5.703 -3.409 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -19.201 -6.461 -4.944 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -21.359 -5.440 -3.065 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -20.599 -4.414 -4.265 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.704 -8.915 -5.072 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.792 -9.900 -5.684 1.00 0.86 C ATOM 2066 C GLY B 28 -16.319 -9.742 -5.290 1.00 0.69 C ATOM 2067 O GLY B 28 -15.916 -8.685 -4.794 1.00 0.66 O ATOM 0 H GLY B 28 -19.286 -8.415 -5.744 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -18.122 -10.901 -5.407 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -17.874 -9.826 -6.768 1.00 0.86 H new ATOM 2071 N ARG B 29 -15.512 -10.810 -5.538 1.00 0.68 N ATOM 2072 CA ARG B 29 -14.068 -10.861 -5.194 1.00 0.65 C ATOM 2073 C ARG B 29 -13.860 -10.801 -3.662 1.00 0.62 C ATOM 2074 O ARG B 29 -14.541 -10.040 -2.966 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.247 -9.745 -5.899 1.00 0.66 C ATOM 2076 CG ARG B 29 -12.843 -10.057 -7.345 1.00 0.84 C ATOM 2077 CD ARG B 29 -14.001 -9.925 -8.333 1.00 1.28 C ATOM 2078 NE ARG B 29 -13.554 -10.111 -9.731 1.00 1.44 N ATOM 2079 CZ ARG B 29 -14.314 -10.584 -10.744 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -15.595 -10.938 -10.565 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -13.773 -10.701 -11.961 1.00 2.09 N ATOM 0 H ARG B 29 -15.849 -11.663 -5.985 1.00 0.68 H new ATOM 0 HA ARG B 29 -13.694 -11.816 -5.562 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.831 -8.824 -5.891 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.345 -9.556 -5.318 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -12.039 -9.384 -7.645 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -12.445 -11.071 -7.394 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -14.768 -10.663 -8.095 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -14.460 -8.942 -8.226 1.00 1.28 H new ATOM 0 HE ARG B 29 -12.590 -9.861 -9.949 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -16.023 -10.854 -9.643 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -16.141 -11.291 -11.351 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -12.800 -10.435 -12.114 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -14.333 -11.056 -12.736 1.00 2.09 H new ATOM 2095 N LYS B 30 -12.909 -11.604 -3.138 1.00 0.64 N ATOM 2096 CA LYS B 30 -12.629 -11.644 -1.685 1.00 0.65 C ATOM 2097 C LYS B 30 -11.810 -10.420 -1.239 1.00 0.63 C ATOM 2098 O LYS B 30 -12.306 -9.598 -0.462 1.00 0.67 O ATOM 2099 CB LYS B 30 -11.911 -12.956 -1.290 1.00 0.73 C ATOM 2100 CG LYS B 30 -12.794 -14.208 -1.350 1.00 0.79 C ATOM 2101 CD LYS B 30 -13.830 -14.248 -0.218 1.00 0.87 C ATOM 2102 CE LYS B 30 -14.655 -15.537 -0.226 1.00 1.01 C ATOM 2103 NZ LYS B 30 -15.555 -15.637 -1.416 1.00 1.11 N ATOM 0 H LYS B 30 -12.326 -12.229 -3.694 1.00 0.64 H new ATOM 0 HA LYS B 30 -13.587 -11.613 -1.167 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -11.055 -13.099 -1.949 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -11.520 -12.851 -0.278 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -13.308 -14.241 -2.311 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -12.165 -15.096 -1.294 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -13.320 -14.152 0.741 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -14.498 -13.392 -0.311 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -13.982 -16.395 -0.211 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -15.254 -15.586 0.683 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -16.090 -16.528 -1.372 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -16.217 -14.835 -1.419 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -14.984 -15.618 -2.285 1.00 1.11 H new ATOM 2117 N ASP B 31 -10.559 -10.301 -1.732 1.00 0.65 N ATOM 2118 CA ASP B 31 -9.684 -9.164 -1.390 1.00 0.69 C ATOM 2119 C ASP B 31 -9.907 -8.023 -2.401 1.00 0.64 C ATOM 2120 O ASP B 31 -9.054 -7.753 -3.256 1.00 0.88 O ATOM 2121 CB ASP B 31 -8.197 -9.602 -1.353 1.00 0.83 C ATOM 2122 CG ASP B 31 -7.913 -10.679 -0.308 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -8.191 -10.443 0.888 1.00 1.36 O ATOM 2124 OD2 ASP B 31 -7.403 -11.754 -0.688 1.00 1.24 O ATOM 0 H ASP B 31 -10.135 -10.978 -2.367 1.00 0.65 H new ATOM 0 HA ASP B 31 -9.939 -8.803 -0.393 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -7.910 -9.974 -2.336 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -7.574 -8.732 -1.147 1.00 0.83 H new ATOM 2129 N SER B 32 -11.083 -7.360 -2.300 1.00 0.65 N ATOM 2130 CA SER B 32 -11.454 -6.264 -3.214 1.00 0.59 C ATOM 2131 C SER B 32 -12.489 -5.310 -2.591 1.00 0.57 C ATOM 2132 O SER B 32 -13.410 -5.750 -1.896 1.00 0.64 O ATOM 2133 CB SER B 32 -12.019 -6.846 -4.521 1.00 0.59 C ATOM 2134 OG SER B 32 -12.290 -5.825 -5.471 1.00 1.13 O ATOM 0 H SER B 32 -11.788 -7.568 -1.593 1.00 0.65 H new ATOM 0 HA SER B 32 -10.550 -5.688 -3.415 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.307 -7.556 -4.942 1.00 0.59 H new ATOM 0 HB3 SER B 32 -12.934 -7.399 -4.309 1.00 0.59 H new ATOM 0 HG SER B 32 -12.646 -6.227 -6.291 1.00 1.13 H new ATOM 2140 N LEU B 33 -12.325 -4.000 -2.866 1.00 0.55 N ATOM 2141 CA LEU B 33 -13.236 -2.954 -2.376 1.00 0.56 C ATOM 2142 C LEU B 33 -14.216 -2.562 -3.495 1.00 0.55 C ATOM 2143 O LEU B 33 -13.824 -2.492 -4.663 1.00 0.72 O ATOM 2144 CB LEU B 33 -12.445 -1.707 -1.912 1.00 0.59 C ATOM 2145 CG LEU B 33 -11.709 -1.828 -0.555 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -10.423 -2.652 -0.680 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -11.401 -0.438 0.013 1.00 0.75 C ATOM 0 H LEU B 33 -11.557 -3.641 -3.434 1.00 0.55 H new ATOM 0 HA LEU B 33 -13.789 -3.346 -1.523 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -11.710 -1.463 -2.679 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -13.136 -0.866 -1.853 1.00 0.59 H new ATOM 0 HG LEU B 33 -12.371 -2.352 0.134 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -9.935 -2.714 0.293 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -10.666 -3.656 -1.029 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -9.752 -2.173 -1.393 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -10.884 -0.541 0.967 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -10.768 0.109 -0.686 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -12.332 0.108 0.163 1.00 0.75 H new ATOM 2159 N SER B 34 -15.487 -2.302 -3.134 1.00 0.52 N ATOM 2160 CA SER B 34 -16.519 -1.920 -4.119 1.00 0.53 C ATOM 2161 C SER B 34 -16.424 -0.426 -4.468 1.00 0.50 C ATOM 2162 O SER B 34 -15.824 0.349 -3.714 1.00 0.52 O ATOM 2163 CB SER B 34 -17.925 -2.262 -3.591 1.00 0.62 C ATOM 2164 OG SER B 34 -18.917 -2.069 -4.593 1.00 0.69 O ATOM 0 H SER B 34 -15.824 -2.349 -2.172 1.00 0.52 H new ATOM 0 HA SER B 34 -16.342 -2.492 -5.030 1.00 0.53 H new ATOM 0 HB2 SER B 34 -17.946 -3.297 -3.251 1.00 0.62 H new ATOM 0 HB3 SER B 34 -18.152 -1.638 -2.727 1.00 0.62 H new ATOM 0 HG SER B 34 -19.798 -2.296 -4.229 1.00 0.69 H new ATOM 2170 N VAL B 35 -17.026 -0.028 -5.609 1.00 0.52 N ATOM 2171 CA VAL B 35 -17.016 1.378 -6.077 1.00 0.53 C ATOM 2172 C VAL B 35 -17.632 2.360 -5.045 1.00 0.48 C ATOM 2173 O VAL B 35 -17.199 3.515 -4.967 1.00 0.52 O ATOM 2174 CB VAL B 35 -17.724 1.531 -7.475 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -19.205 1.130 -7.428 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -17.562 2.949 -8.045 1.00 0.71 C ATOM 0 H VAL B 35 -17.529 -0.664 -6.228 1.00 0.52 H new ATOM 0 HA VAL B 35 -15.966 1.647 -6.191 1.00 0.53 H new ATOM 0 HB VAL B 35 -17.220 0.837 -8.148 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -19.647 1.254 -8.417 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -19.290 0.088 -7.120 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -19.731 1.763 -6.714 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -18.065 3.013 -9.010 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -18.004 3.670 -7.357 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -16.502 3.171 -8.172 1.00 0.71 H new ATOM 2186 N ASN B 36 -18.624 1.895 -4.256 1.00 0.47 N ATOM 2187 CA ASN B 36 -19.291 2.736 -3.241 1.00 0.48 C ATOM 2188 C ASN B 36 -18.823 2.387 -1.801 1.00 0.46 C ATOM 2189 O ASN B 36 -19.555 2.628 -0.835 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.824 2.582 -3.383 1.00 0.55 C ATOM 2191 CG ASN B 36 -21.604 3.789 -2.868 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -21.812 4.756 -3.600 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -22.047 3.742 -1.609 1.00 0.79 N ATOM 0 H ASN B 36 -18.980 0.940 -4.303 1.00 0.47 H new ATOM 0 HA ASN B 36 -19.014 3.776 -3.413 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -21.070 2.420 -4.433 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -21.144 1.693 -2.840 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -22.577 4.525 -1.225 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -21.856 2.924 -1.031 1.00 0.79 H new ATOM 2200 N GLU B 37 -17.592 1.836 -1.663 1.00 0.46 N ATOM 2201 CA GLU B 37 -17.019 1.465 -0.350 1.00 0.50 C ATOM 2202 C GLU B 37 -15.694 2.201 -0.086 1.00 0.45 C ATOM 2203 O GLU B 37 -15.487 2.706 1.021 1.00 0.46 O ATOM 2204 CB GLU B 37 -16.808 -0.056 -0.255 1.00 0.62 C ATOM 2205 CG GLU B 37 -18.100 -0.840 -0.043 1.00 0.69 C ATOM 2206 CD GLU B 37 -17.890 -2.346 0.005 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -16.782 -2.787 0.383 1.00 1.61 O ATOM 2208 OE2 GLU B 37 -18.836 -3.085 -0.337 1.00 1.28 O ATOM 0 H GLU B 37 -16.976 1.639 -2.451 1.00 0.46 H new ATOM 0 HA GLU B 37 -17.734 1.769 0.415 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -16.327 -0.405 -1.168 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -16.125 -0.269 0.567 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -18.565 -0.515 0.888 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -18.797 -0.603 -0.847 1.00 0.69 H new ATOM 2215 N PHE B 38 -14.788 2.247 -1.095 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.493 2.949 -0.948 1.00 0.43 C ATOM 2217 C PHE B 38 -13.711 4.471 -0.770 1.00 0.39 C ATOM 2218 O PHE B 38 -12.941 5.125 -0.066 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.543 2.644 -2.139 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.797 3.444 -3.409 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -13.746 3.033 -4.338 1.00 0.52 C ATOM 2222 CD2 PHE B 38 -12.086 4.611 -3.665 1.00 0.55 C ATOM 2223 CE1 PHE B 38 -13.978 3.768 -5.486 1.00 0.61 C ATOM 2224 CE2 PHE B 38 -12.315 5.345 -4.812 1.00 0.65 C ATOM 2225 CZ PHE B 38 -13.261 4.923 -5.723 1.00 0.66 C ATOM 0 H PHE B 38 -14.929 1.812 -2.007 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.008 2.574 -0.047 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.517 2.825 -1.817 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -12.620 1.583 -2.378 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -14.309 2.129 -4.161 1.00 0.52 H new ATOM 0 HD2 PHE B 38 -11.344 4.948 -2.957 1.00 0.55 H new ATOM 0 HE1 PHE B 38 -14.721 3.438 -6.197 1.00 0.61 H new ATOM 0 HE2 PHE B 38 -11.754 6.249 -4.996 1.00 0.65 H new ATOM 0 HZ PHE B 38 -13.440 5.496 -6.621 1.00 0.66 H new ATOM 2235 N LYS B 39 -14.766 5.014 -1.424 1.00 0.37 N ATOM 2236 CA LYS B 39 -15.116 6.444 -1.319 1.00 0.38 C ATOM 2237 C LYS B 39 -15.685 6.753 0.081 1.00 0.36 C ATOM 2238 O LYS B 39 -15.353 7.785 0.672 1.00 0.39 O ATOM 2239 CB LYS B 39 -16.132 6.837 -2.418 1.00 0.43 C ATOM 2240 CG LYS B 39 -16.221 8.342 -2.689 1.00 0.50 C ATOM 2241 CD LYS B 39 -17.218 8.667 -3.805 1.00 0.60 C ATOM 2242 CE LYS B 39 -17.239 10.158 -4.152 1.00 0.70 C ATOM 2243 NZ LYS B 39 -15.984 10.605 -4.827 1.00 0.81 N ATOM 0 H LYS B 39 -15.388 4.479 -2.030 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.211 7.035 -1.464 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -15.862 6.329 -3.344 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -17.118 6.473 -2.131 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -16.518 8.858 -1.776 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -15.236 8.720 -2.962 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -16.962 8.093 -4.696 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -18.216 8.354 -3.499 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -18.090 10.365 -4.801 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -17.384 10.738 -3.241 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -16.074 11.604 -5.102 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -15.181 10.497 -4.175 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -15.821 10.026 -5.675 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.548 5.844 0.603 1.00 0.35 N ATOM 2258 CA GLU B 40 -17.146 6.000 1.948 1.00 0.38 C ATOM 2259 C GLU B 40 -16.092 5.814 3.059 1.00 0.38 C ATOM 2260 O GLU B 40 -16.220 6.414 4.128 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.324 5.023 2.160 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.572 5.370 1.348 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.822 4.657 1.845 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -21.479 5.187 2.765 1.00 0.69 O ATOM 2265 OE2 GLU B 40 -21.138 3.572 1.313 1.00 0.63 O ATOM 0 H GLU B 40 -16.842 5.000 0.112 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.531 7.018 2.009 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -18.000 4.016 1.897 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.584 5.008 3.218 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -19.735 6.447 1.386 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.403 5.110 0.303 1.00 0.47 H new ATOM 2272 N LEU B 41 -15.050 4.981 2.804 1.00 0.37 N ATOM 2273 CA LEU B 41 -13.957 4.764 3.778 1.00 0.40 C ATOM 2274 C LEU B 41 -13.111 6.047 3.931 1.00 0.38 C ATOM 2275 O LEU B 41 -12.638 6.350 5.029 1.00 0.40 O ATOM 2276 CB LEU B 41 -13.067 3.569 3.349 1.00 0.44 C ATOM 2277 CG LEU B 41 -11.893 3.193 4.296 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -12.392 2.853 5.702 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -11.080 2.031 3.713 1.00 0.64 C ATOM 0 H LEU B 41 -14.947 4.453 1.937 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.400 4.525 4.745 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -13.706 2.693 3.236 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.652 3.790 2.365 1.00 0.44 H new ATOM 0 HG LEU B 41 -11.243 4.064 4.379 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -11.544 2.595 6.337 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -12.911 3.715 6.122 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -13.077 2.007 5.650 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -10.263 1.783 4.390 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -11.726 1.161 3.589 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.673 2.322 2.745 1.00 0.64 H new ATOM 2291 N VAL B 42 -12.925 6.787 2.816 1.00 0.37 N ATOM 2292 CA VAL B 42 -12.172 8.057 2.809 1.00 0.38 C ATOM 2293 C VAL B 42 -12.998 9.193 3.465 1.00 0.39 C ATOM 2294 O VAL B 42 -12.421 10.162 3.952 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.749 8.460 1.347 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -11.138 9.871 1.274 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -10.768 7.428 0.778 1.00 0.47 C ATOM 0 H VAL B 42 -13.291 6.521 1.902 1.00 0.37 H new ATOM 0 HA VAL B 42 -11.266 7.906 3.395 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.657 8.475 0.744 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.865 10.096 0.243 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.867 10.602 1.624 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -10.249 9.915 1.903 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.482 7.717 -0.233 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -9.879 7.385 1.408 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.244 6.448 0.755 1.00 0.47 H new ATOM 2307 N THR B 43 -14.339 9.059 3.487 1.00 0.38 N ATOM 2308 CA THR B 43 -15.231 10.075 4.076 1.00 0.42 C ATOM 2309 C THR B 43 -15.681 9.719 5.518 1.00 0.48 C ATOM 2310 O THR B 43 -16.185 10.600 6.228 1.00 0.83 O ATOM 2311 CB THR B 43 -16.491 10.275 3.171 1.00 0.44 C ATOM 2312 OG1 THR B 43 -16.113 10.291 1.779 1.00 0.46 O ATOM 2313 CG2 THR B 43 -17.246 11.570 3.498 1.00 0.49 C ATOM 0 H THR B 43 -14.829 8.252 3.101 1.00 0.38 H new ATOM 0 HA THR B 43 -14.657 11.000 4.133 1.00 0.42 H new ATOM 0 HB THR B 43 -17.156 9.435 3.371 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.884 9.382 1.492 1.00 0.46 H new ATOM 0 HG21 THR B 43 -18.112 11.662 2.842 1.00 0.49 H new ATOM 0 HG22 THR B 43 -17.578 11.546 4.536 1.00 0.49 H new ATOM 0 HG23 THR B 43 -16.585 12.424 3.348 1.00 0.49 H new ATOM 2321 N GLN B 44 -15.487 8.452 5.964 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.931 8.016 7.305 1.00 0.44 C ATOM 2323 C GLN B 44 -14.758 7.719 8.271 1.00 0.44 C ATOM 2324 O GLN B 44 -14.655 8.376 9.312 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.864 6.790 7.168 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.647 6.436 8.441 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.699 5.346 8.227 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.259 5.207 7.137 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -18.990 4.574 9.273 1.00 0.98 N ATOM 0 H GLN B 44 -15.030 7.723 5.417 1.00 0.42 H new ATOM 0 HA GLN B 44 -16.478 8.846 7.752 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -17.573 6.978 6.362 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -16.267 5.927 6.873 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -16.947 6.108 9.209 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -18.137 7.334 8.818 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -18.508 4.715 10.161 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -19.695 3.842 9.186 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.876 6.746 7.931 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.747 6.359 8.820 1.00 0.43 C ATOM 2340 C GLN B 45 -11.350 6.824 8.315 1.00 0.41 C ATOM 2341 O GLN B 45 -10.344 6.533 8.972 1.00 0.46 O ATOM 2342 CB GLN B 45 -12.766 4.823 9.042 1.00 0.47 C ATOM 2343 CG GLN B 45 -12.136 4.364 10.366 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.480 2.921 10.753 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.619 2.047 9.894 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.621 2.660 12.058 1.00 0.73 N ATOM 0 H GLN B 45 -13.922 6.219 7.059 1.00 0.42 H new ATOM 0 HA GLN B 45 -12.901 6.881 9.764 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -13.799 4.476 9.006 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -12.239 4.343 8.217 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -11.053 4.462 10.294 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -12.464 5.031 11.163 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -12.499 3.406 12.743 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -12.850 1.715 12.367 1.00 0.73 H new ATOM 2355 N LEU B 46 -11.280 7.557 7.175 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.987 8.042 6.629 1.00 0.38 C ATOM 2357 C LEU B 46 -10.119 9.443 5.945 1.00 0.38 C ATOM 2358 O LEU B 46 -9.612 9.629 4.831 1.00 0.41 O ATOM 2359 CB LEU B 46 -9.438 6.990 5.625 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.899 6.994 5.392 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -7.250 5.739 5.986 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.564 7.116 3.901 1.00 0.62 C ATOM 0 H LEU B 46 -12.094 7.823 6.621 1.00 0.39 H new ATOM 0 HA LEU B 46 -9.290 8.167 7.458 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.728 5.999 5.975 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.930 7.145 4.665 1.00 0.40 H new ATOM 0 HG LEU B 46 -7.491 7.866 5.904 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -6.175 5.767 5.809 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -7.441 5.704 7.059 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.672 4.852 5.513 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.482 7.116 3.770 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.995 6.273 3.361 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.977 8.046 3.510 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.784 10.465 6.593 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.947 11.810 5.996 1.00 0.42 C ATOM 2376 C PRO B 47 -9.799 12.807 6.295 1.00 0.42 C ATOM 2377 O PRO B 47 -9.604 13.758 5.532 1.00 0.46 O ATOM 2378 CB PRO B 47 -12.263 12.272 6.626 1.00 0.48 C ATOM 2379 CG PRO B 47 -12.253 11.683 8.000 1.00 0.48 C ATOM 2380 CD PRO B 47 -11.452 10.404 7.925 1.00 0.44 C ATOM 0 HA PRO B 47 -10.937 11.770 4.907 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -12.325 13.360 6.662 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -13.121 11.923 6.052 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -11.808 12.376 8.714 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -13.269 11.483 8.341 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.723 10.343 8.733 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -12.094 9.527 8.008 1.00 0.44 H new ATOM 2388 N HIS B 48 -9.053 12.596 7.398 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.937 13.487 7.784 1.00 0.44 C ATOM 2390 C HIS B 48 -6.625 13.129 7.054 1.00 0.43 C ATOM 2391 O HIS B 48 -5.788 14.009 6.827 1.00 0.49 O ATOM 2392 CB HIS B 48 -7.712 13.441 9.309 1.00 0.49 C ATOM 2393 CG HIS B 48 -8.850 14.008 10.118 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -9.669 13.234 10.917 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -9.302 15.280 10.248 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -10.569 14.005 11.502 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -10.367 15.251 11.114 1.00 0.81 N ATOM 0 H HIS B 48 -9.202 11.816 8.038 1.00 0.42 H new ATOM 0 HA HIS B 48 -8.219 14.497 7.486 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -7.547 12.406 9.610 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -6.802 13.991 9.548 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -8.898 16.155 9.760 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -11.339 13.672 12.182 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -10.913 16.060 11.410 1.00 0.81 H new ATOM 2406 N LEU B 49 -6.454 11.842 6.678 1.00 0.41 N ATOM 2407 CA LEU B 49 -5.236 11.375 5.986 1.00 0.42 C ATOM 2408 C LEU B 49 -5.149 11.924 4.549 1.00 0.40 C ATOM 2409 O LEU B 49 -4.130 12.512 4.177 1.00 0.48 O ATOM 2410 CB LEU B 49 -5.165 9.828 5.982 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.844 9.207 5.460 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.630 9.760 6.207 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.876 7.682 5.563 1.00 0.62 C ATOM 0 H LEU B 49 -7.145 11.110 6.843 1.00 0.41 H new ATOM 0 HA LEU B 49 -4.380 11.762 6.539 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -5.332 9.474 6.999 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.986 9.448 5.374 1.00 0.43 H new ATOM 0 HG LEU B 49 -3.751 9.484 4.410 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.722 9.302 5.815 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.580 10.840 6.071 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -2.721 9.532 7.269 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -2.937 7.272 5.190 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -4.011 7.390 6.605 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -4.703 7.294 4.968 1.00 0.62 H new ATOM 2425 N LEU B 50 -6.216 11.724 3.754 1.00 0.38 N ATOM 2426 CA LEU B 50 -6.267 12.205 2.365 1.00 0.41 C ATOM 2427 C LEU B 50 -7.052 13.526 2.307 1.00 0.45 C ATOM 2428 O LEU B 50 -8.249 13.549 2.617 1.00 0.52 O ATOM 2429 CB LEU B 50 -6.910 11.151 1.435 1.00 0.44 C ATOM 2430 CG LEU B 50 -6.251 9.747 1.418 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -7.031 8.798 0.509 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -4.776 9.807 0.987 1.00 0.70 C ATOM 0 H LEU B 50 -7.057 11.230 4.053 1.00 0.38 H new ATOM 0 HA LEU B 50 -5.248 12.376 2.017 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -7.955 11.034 1.724 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -6.902 11.544 0.418 1.00 0.44 H new ATOM 0 HG LEU B 50 -6.279 9.365 2.439 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -6.553 7.818 0.510 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -8.054 8.703 0.874 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -7.043 9.194 -0.506 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -4.355 8.802 0.989 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -4.707 10.227 -0.017 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -4.219 10.435 1.682 1.00 0.70 H new ATOM 2444 N LYS B 51 -6.367 14.623 1.922 1.00 0.50 N ATOM 2445 CA LYS B 51 -6.991 15.967 1.833 1.00 0.58 C ATOM 2446 C LYS B 51 -8.198 16.014 0.868 1.00 0.53 C ATOM 2447 O LYS B 51 -9.197 16.676 1.171 1.00 0.61 O ATOM 2448 CB LYS B 51 -5.948 17.050 1.454 1.00 0.68 C ATOM 2449 CG LYS B 51 -5.199 16.811 0.135 1.00 0.72 C ATOM 2450 CD LYS B 51 -4.231 17.951 -0.184 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.369 17.657 -1.415 1.00 1.03 C ATOM 2452 NZ LYS B 51 -4.155 17.650 -2.688 1.00 1.23 N ATOM 0 H LYS B 51 -5.380 14.608 1.667 1.00 0.50 H new ATOM 0 HA LYS B 51 -7.376 16.185 2.829 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -6.455 18.013 1.395 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -5.217 17.123 2.259 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -4.648 15.873 0.195 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -5.918 16.707 -0.677 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -4.796 18.868 -0.350 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -3.584 18.126 0.676 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -2.579 18.404 -1.486 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -2.882 16.690 -1.289 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -3.521 17.446 -3.487 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -4.893 16.919 -2.636 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -4.599 18.580 -2.827 1.00 1.23 H new ATOM 2466 N ASP B 52 -8.112 15.312 -0.280 1.00 0.48 N ATOM 2467 CA ASP B 52 -9.209 15.287 -1.267 1.00 0.54 C ATOM 2468 C ASP B 52 -10.240 14.207 -0.894 1.00 0.48 C ATOM 2469 O ASP B 52 -10.198 13.091 -1.420 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.672 15.044 -2.694 1.00 0.69 C ATOM 2471 CG ASP B 52 -7.711 16.127 -3.168 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -8.170 17.264 -3.417 1.00 1.78 O ATOM 2473 OD2 ASP B 52 -6.501 15.836 -3.287 1.00 1.94 O ATOM 0 H ASP B 52 -7.298 14.757 -0.545 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.696 16.262 -1.252 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -8.165 14.079 -2.725 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -9.512 14.985 -3.386 1.00 0.69 H new ATOM 2478 N VAL B 53 -11.159 14.547 0.035 1.00 0.44 N ATOM 2479 CA VAL B 53 -12.206 13.603 0.480 1.00 0.45 C ATOM 2480 C VAL B 53 -13.374 13.538 -0.529 1.00 0.46 C ATOM 2481 O VAL B 53 -13.956 12.470 -0.728 1.00 0.57 O ATOM 2482 CB VAL B 53 -12.739 13.918 1.924 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -11.613 13.791 2.953 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -13.403 15.300 2.023 1.00 0.58 C ATOM 0 H VAL B 53 -11.197 15.460 0.488 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.730 12.623 0.523 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.510 13.179 2.143 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -12.002 14.013 3.947 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.218 12.775 2.936 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -10.817 14.494 2.710 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -13.752 15.464 3.042 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -12.679 16.071 1.759 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -14.249 15.347 1.338 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.705 14.686 -1.162 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.780 14.738 -2.155 1.00 0.51 C ATOM 2496 C GLY B 54 -14.291 14.507 -3.584 1.00 0.51 C ATOM 2497 O GLY B 54 -14.981 13.852 -4.370 1.00 0.67 O ATOM 0 H GLY B 54 -13.241 15.579 -0.998 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.530 13.987 -1.909 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -15.271 15.709 -2.099 1.00 0.51 H new ATOM 2501 N SER B 55 -13.096 15.045 -3.923 1.00 0.51 N ATOM 2502 CA SER B 55 -12.512 14.899 -5.270 1.00 0.57 C ATOM 2503 C SER B 55 -11.599 13.659 -5.342 1.00 0.52 C ATOM 2504 O SER B 55 -10.365 13.776 -5.362 1.00 0.63 O ATOM 2505 CB SER B 55 -11.744 16.178 -5.661 1.00 0.74 C ATOM 2506 OG SER B 55 -11.261 16.106 -6.997 1.00 0.92 O ATOM 0 H SER B 55 -12.519 15.585 -3.278 1.00 0.51 H new ATOM 0 HA SER B 55 -13.322 14.754 -5.985 1.00 0.57 H new ATOM 0 HB2 SER B 55 -12.398 17.043 -5.555 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.908 16.325 -4.978 1.00 0.74 H new ATOM 0 HG SER B 55 -10.780 16.931 -7.216 1.00 0.92 H new ATOM 2512 N LEU B 56 -12.228 12.468 -5.375 1.00 0.47 N ATOM 2513 CA LEU B 56 -11.506 11.181 -5.454 1.00 0.47 C ATOM 2514 C LEU B 56 -11.566 10.581 -6.882 1.00 0.48 C ATOM 2515 O LEU B 56 -11.057 9.477 -7.103 1.00 0.81 O ATOM 2516 CB LEU B 56 -12.094 10.176 -4.417 1.00 0.58 C ATOM 2517 CG LEU B 56 -11.086 9.405 -3.517 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -10.026 8.662 -4.336 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -10.424 10.336 -2.500 1.00 1.24 C ATOM 0 H LEU B 56 -13.243 12.370 -5.348 1.00 0.47 H new ATOM 0 HA LEU B 56 -10.458 11.367 -5.219 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -12.776 10.724 -3.767 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -12.691 9.443 -4.959 1.00 0.58 H new ATOM 0 HG LEU B 56 -11.663 8.656 -2.975 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -9.346 8.140 -3.663 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -10.513 7.940 -4.992 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -9.463 9.377 -4.937 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -9.725 9.767 -1.887 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -9.886 11.125 -3.025 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -11.188 10.780 -1.862 1.00 1.24 H new ATOM 2531 N ASP B 57 -12.181 11.307 -7.853 1.00 0.48 N ATOM 2532 CA ASP B 57 -12.302 10.821 -9.247 1.00 0.49 C ATOM 2533 C ASP B 57 -10.935 10.715 -9.962 1.00 0.44 C ATOM 2534 O ASP B 57 -10.785 9.892 -10.872 1.00 0.46 O ATOM 2535 CB ASP B 57 -13.276 11.700 -10.071 1.00 0.60 C ATOM 2536 CG ASP B 57 -12.867 13.167 -10.169 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -12.052 13.499 -11.057 1.00 0.69 O ATOM 2538 OD2 ASP B 57 -13.364 13.979 -9.361 1.00 0.73 O ATOM 0 H ASP B 57 -12.597 12.225 -7.694 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.713 9.813 -9.182 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -13.355 11.289 -11.077 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -14.268 11.640 -9.623 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.943 11.536 -9.549 1.00 0.45 N ATOM 2544 CA GLU B 58 -8.594 11.521 -10.159 1.00 0.50 C ATOM 2545 C GLU B 58 -7.868 10.191 -9.881 1.00 0.47 C ATOM 2546 O GLU B 58 -7.311 9.588 -10.803 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.761 12.718 -9.657 1.00 0.59 C ATOM 2548 CG GLU B 58 -6.504 13.005 -10.482 1.00 0.73 C ATOM 2549 CD GLU B 58 -5.815 14.299 -10.076 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -5.166 14.322 -9.008 1.00 1.06 O ATOM 2551 OE2 GLU B 58 -5.931 15.293 -10.826 1.00 1.10 O ATOM 0 H GLU B 58 -10.051 12.216 -8.797 1.00 0.45 H new ATOM 0 HA GLU B 58 -8.712 11.612 -11.239 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -8.391 13.608 -9.655 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -7.468 12.533 -8.624 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.805 12.176 -10.371 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -6.772 13.057 -11.537 1.00 0.73 H new ATOM 2558 N LYS B 59 -7.876 9.742 -8.609 1.00 0.43 N ATOM 2559 CA LYS B 59 -7.241 8.467 -8.232 1.00 0.48 C ATOM 2560 C LYS B 59 -8.104 7.273 -8.689 1.00 0.54 C ATOM 2561 O LYS B 59 -7.557 6.248 -9.073 1.00 0.91 O ATOM 2562 CB LYS B 59 -6.973 8.397 -6.707 1.00 0.52 C ATOM 2563 CG LYS B 59 -5.666 9.066 -6.259 1.00 0.59 C ATOM 2564 CD LYS B 59 -5.777 10.591 -6.159 1.00 0.79 C ATOM 2565 CE LYS B 59 -4.451 11.234 -5.741 1.00 1.19 C ATOM 2566 NZ LYS B 59 -4.558 12.717 -5.607 1.00 1.47 N ATOM 0 H LYS B 59 -8.312 10.240 -7.833 1.00 0.43 H new ATOM 0 HA LYS B 59 -6.278 8.413 -8.740 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -7.805 8.867 -6.183 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -6.954 7.351 -6.402 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.373 8.664 -5.289 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -4.874 8.810 -6.963 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -6.089 10.996 -7.121 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -6.551 10.852 -5.437 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -4.127 10.808 -4.792 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -3.684 10.992 -6.477 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -3.637 13.107 -5.323 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -4.842 13.128 -6.519 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -5.270 12.950 -4.886 1.00 1.47 H new ATOM 2580 N MET B 60 -9.454 7.428 -8.664 1.00 0.40 N ATOM 2581 CA MET B 60 -10.407 6.366 -9.094 1.00 0.43 C ATOM 2582 C MET B 60 -10.065 5.796 -10.495 1.00 0.45 C ATOM 2583 O MET B 60 -10.139 4.582 -10.703 1.00 0.49 O ATOM 2584 CB MET B 60 -11.854 6.922 -9.077 1.00 0.47 C ATOM 2585 CG MET B 60 -12.946 5.908 -9.436 1.00 0.55 C ATOM 2586 SD MET B 60 -14.602 6.633 -9.477 1.00 0.67 S ATOM 2587 CE MET B 60 -14.527 7.611 -10.980 1.00 0.81 C ATOM 0 H MET B 60 -9.911 8.284 -8.349 1.00 0.40 H new ATOM 0 HA MET B 60 -10.321 5.541 -8.386 1.00 0.43 H new ATOM 0 HB2 MET B 60 -12.062 7.320 -8.084 1.00 0.47 H new ATOM 0 HB3 MET B 60 -11.913 7.758 -9.774 1.00 0.47 H new ATOM 0 HG2 MET B 60 -12.723 5.472 -10.410 1.00 0.55 H new ATOM 0 HG3 MET B 60 -12.930 5.094 -8.711 1.00 0.55 H new ATOM 0 HE1 MET B 60 -15.528 7.957 -11.240 1.00 0.81 H new ATOM 0 HE2 MET B 60 -13.876 8.471 -10.823 1.00 0.81 H new ATOM 0 HE3 MET B 60 -14.132 7.000 -11.792 1.00 0.81 H new ATOM 2597 N LYS B 61 -9.702 6.684 -11.445 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.330 6.278 -12.822 1.00 0.53 C ATOM 2599 C LYS B 61 -7.981 5.529 -12.830 1.00 0.48 C ATOM 2600 O LYS B 61 -7.830 4.527 -13.536 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.253 7.508 -13.750 1.00 0.63 C ATOM 2602 CG LYS B 61 -10.606 8.170 -14.033 1.00 0.78 C ATOM 2603 CD LYS B 61 -10.497 9.332 -15.027 1.00 1.13 C ATOM 2604 CE LYS B 61 -9.819 10.572 -14.432 1.00 1.87 C ATOM 2605 NZ LYS B 61 -10.720 11.341 -13.522 1.00 2.39 N ATOM 0 H LYS B 61 -9.658 7.690 -11.285 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.104 5.605 -13.192 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -8.587 8.246 -13.302 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -8.804 7.207 -14.696 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.296 7.424 -14.426 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -11.030 8.535 -13.098 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -9.935 9.003 -15.901 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -11.495 9.602 -15.372 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -8.929 10.266 -13.882 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -9.486 11.222 -15.241 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -10.343 12.302 -13.391 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -11.671 11.396 -13.940 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -10.774 10.862 -12.601 1.00 2.39 H new ATOM 2619 N SER B 62 -7.007 6.033 -12.039 1.00 0.46 N ATOM 2620 CA SER B 62 -5.665 5.418 -11.922 1.00 0.47 C ATOM 2621 C SER B 62 -5.710 4.086 -11.139 1.00 0.44 C ATOM 2622 O SER B 62 -4.901 3.188 -11.398 1.00 0.50 O ATOM 2623 CB SER B 62 -4.691 6.387 -11.230 1.00 0.54 C ATOM 2624 OG SER B 62 -4.693 7.656 -11.866 1.00 0.63 O ATOM 0 H SER B 62 -7.127 6.870 -11.468 1.00 0.46 H new ATOM 0 HA SER B 62 -5.317 5.207 -12.933 1.00 0.47 H new ATOM 0 HB2 SER B 62 -4.970 6.502 -10.183 1.00 0.54 H new ATOM 0 HB3 SER B 62 -3.684 5.970 -11.248 1.00 0.54 H new ATOM 0 HG SER B 62 -4.067 8.253 -11.406 1.00 0.63 H new ATOM 2630 N LEU B 63 -6.659 3.971 -10.181 1.00 0.41 N ATOM 2631 CA LEU B 63 -6.828 2.759 -9.353 1.00 0.44 C ATOM 2632 C LEU B 63 -7.378 1.598 -10.193 1.00 0.47 C ATOM 2633 O LEU B 63 -6.706 0.575 -10.349 1.00 0.57 O ATOM 2634 CB LEU B 63 -7.774 3.039 -8.157 1.00 0.45 C ATOM 2635 CG LEU B 63 -7.209 3.950 -7.042 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.334 4.529 -6.178 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -6.214 3.189 -6.171 1.00 0.69 C ATOM 0 H LEU B 63 -7.325 4.713 -9.963 1.00 0.41 H new ATOM 0 HA LEU B 63 -5.848 2.478 -8.967 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -8.688 3.493 -8.541 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -8.055 2.085 -7.711 1.00 0.45 H new ATOM 0 HG LEU B 63 -6.688 4.777 -7.524 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -7.907 5.165 -5.403 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -9.005 5.119 -6.802 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -8.891 3.716 -5.713 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -5.830 3.850 -5.394 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -6.712 2.337 -5.709 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.387 2.835 -6.787 1.00 0.69 H new ATOM 2649 N ASP B 64 -8.599 1.772 -10.742 1.00 0.47 N ATOM 2650 CA ASP B 64 -9.239 0.741 -11.567 1.00 0.55 C ATOM 2651 C ASP B 64 -8.855 0.935 -13.050 1.00 0.53 C ATOM 2652 O ASP B 64 -9.633 1.467 -13.850 1.00 0.60 O ATOM 2653 CB ASP B 64 -10.773 0.760 -11.353 1.00 0.66 C ATOM 2654 CG ASP B 64 -11.450 -0.550 -11.723 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -11.337 -1.516 -10.940 1.00 1.27 O ATOM 2656 OD2 ASP B 64 -12.095 -0.605 -12.787 1.00 1.32 O ATOM 0 H ASP B 64 -9.156 2.618 -10.625 1.00 0.47 H new ATOM 0 HA ASP B 64 -8.881 -0.243 -11.263 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -10.984 0.987 -10.308 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.206 1.565 -11.948 1.00 0.66 H new ATOM 2661 N VAL B 65 -7.614 0.516 -13.387 1.00 0.53 N ATOM 2662 CA VAL B 65 -7.075 0.611 -14.766 1.00 0.56 C ATOM 2663 C VAL B 65 -7.682 -0.474 -15.688 1.00 0.56 C ATOM 2664 O VAL B 65 -7.821 -0.254 -16.895 1.00 0.61 O ATOM 2665 CB VAL B 65 -5.501 0.527 -14.784 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -4.979 -0.841 -14.312 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -4.935 0.884 -16.170 1.00 0.72 C ATOM 0 H VAL B 65 -6.962 0.106 -12.719 1.00 0.53 H new ATOM 0 HA VAL B 65 -7.365 1.588 -15.151 1.00 0.56 H new ATOM 0 HB VAL B 65 -5.143 1.268 -14.069 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -3.889 -0.845 -14.344 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -5.313 -1.025 -13.291 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.364 -1.623 -14.967 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -3.847 0.816 -16.147 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -5.327 0.189 -16.913 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -5.230 1.900 -16.433 1.00 0.72 H new ATOM 2677 N ASN B 66 -8.045 -1.637 -15.103 1.00 0.56 N ATOM 2678 CA ASN B 66 -8.625 -2.768 -15.852 1.00 0.60 C ATOM 2679 C ASN B 66 -10.053 -2.459 -16.346 1.00 0.61 C ATOM 2680 O ASN B 66 -10.440 -2.923 -17.425 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.616 -4.047 -14.976 1.00 0.65 C ATOM 2682 CG ASN B 66 -8.992 -5.325 -15.736 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -8.656 -5.486 -16.912 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -9.691 -6.243 -15.063 1.00 1.32 N ATOM 0 H ASN B 66 -7.944 -1.815 -14.104 1.00 0.56 H new ATOM 0 HA ASN B 66 -8.007 -2.934 -16.734 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -7.623 -4.172 -14.544 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -9.310 -3.912 -14.147 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -9.965 -7.112 -15.521 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -9.951 -6.075 -14.091 1.00 1.32 H new ATOM 2691 N GLN B 67 -10.831 -1.677 -15.555 1.00 0.59 N ATOM 2692 CA GLN B 67 -12.217 -1.301 -15.899 1.00 0.64 C ATOM 2693 C GLN B 67 -13.129 -2.552 -15.898 1.00 0.64 C ATOM 2694 O GLN B 67 -13.599 -2.999 -16.952 1.00 0.77 O ATOM 2695 CB GLN B 67 -12.262 -0.544 -17.260 1.00 0.75 C ATOM 2696 CG GLN B 67 -13.490 0.347 -17.465 1.00 0.96 C ATOM 2697 CD GLN B 67 -13.385 1.691 -16.751 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -12.895 2.668 -17.319 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -13.837 1.748 -15.495 1.00 1.87 N ATOM 0 H GLN B 67 -10.512 -1.293 -14.665 1.00 0.59 H new ATOM 0 HA GLN B 67 -12.597 -0.617 -15.140 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -11.367 0.072 -17.346 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -12.224 -1.276 -18.067 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -13.631 0.520 -18.532 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -14.376 -0.178 -17.108 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -14.236 0.917 -15.059 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -13.783 2.622 -14.973 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.356 -3.117 -14.693 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.188 -4.322 -14.524 1.00 0.72 C ATOM 2710 C ASP B 68 -15.502 -3.982 -13.791 1.00 0.79 C ATOM 2711 O ASP B 68 -16.580 -4.113 -14.377 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.384 -5.408 -13.768 1.00 0.76 C ATOM 2713 CG ASP B 68 -13.985 -6.805 -13.876 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -15.158 -6.986 -13.484 1.00 1.25 O ATOM 2715 OD2 ASP B 68 -13.276 -7.721 -14.347 1.00 1.16 O ATOM 0 H ASP B 68 -12.972 -2.754 -13.821 1.00 0.65 H new ATOM 0 HA ASP B 68 -14.456 -4.711 -15.506 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.366 -5.430 -14.157 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -13.318 -5.131 -12.716 1.00 0.76 H new ATOM 2720 N SER B 69 -15.396 -3.535 -12.515 1.00 0.66 N ATOM 2721 CA SER B 69 -16.567 -3.177 -11.671 1.00 0.71 C ATOM 2722 C SER B 69 -16.116 -2.758 -10.258 1.00 0.71 C ATOM 2723 O SER B 69 -16.539 -1.712 -9.755 1.00 1.26 O ATOM 2724 CB SER B 69 -17.570 -4.351 -11.562 1.00 0.86 C ATOM 2725 OG SER B 69 -18.683 -4.017 -10.749 1.00 1.35 O ATOM 0 H SER B 69 -14.501 -3.412 -12.042 1.00 0.66 H new ATOM 0 HA SER B 69 -17.066 -2.338 -12.155 1.00 0.71 H new ATOM 0 HB2 SER B 69 -17.917 -4.627 -12.558 1.00 0.86 H new ATOM 0 HB3 SER B 69 -17.065 -5.223 -11.147 1.00 0.86 H new ATOM 0 HG SER B 69 -19.296 -4.780 -10.704 1.00 1.35 H new ATOM 2731 N GLU B 70 -15.259 -3.595 -9.629 1.00 0.69 N ATOM 2732 CA GLU B 70 -14.735 -3.347 -8.274 1.00 0.75 C ATOM 2733 C GLU B 70 -13.216 -3.141 -8.296 1.00 0.62 C ATOM 2734 O GLU B 70 -12.543 -3.497 -9.271 1.00 0.78 O ATOM 2735 CB GLU B 70 -15.071 -4.530 -7.343 1.00 1.11 C ATOM 2736 CG GLU B 70 -16.560 -4.728 -7.090 1.00 1.39 C ATOM 2737 CD GLU B 70 -16.845 -5.949 -6.238 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -16.623 -5.882 -5.010 1.00 2.40 O ATOM 2739 OE2 GLU B 70 -17.286 -6.973 -6.800 1.00 2.37 O ATOM 0 H GLU B 70 -14.914 -4.458 -10.049 1.00 0.69 H new ATOM 0 HA GLU B 70 -15.208 -2.439 -7.900 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -14.664 -5.444 -7.775 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -14.569 -4.378 -6.387 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -16.963 -3.843 -6.598 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -17.078 -4.825 -8.044 1.00 1.39 H new ATOM 2746 N LEU B 71 -12.689 -2.569 -7.200 1.00 0.54 N ATOM 2747 CA LEU B 71 -11.255 -2.307 -7.055 1.00 0.51 C ATOM 2748 C LEU B 71 -10.569 -3.433 -6.271 1.00 0.50 C ATOM 2749 O LEU B 71 -10.638 -3.464 -5.039 1.00 0.52 O ATOM 2750 CB LEU B 71 -11.013 -0.954 -6.338 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.099 0.311 -7.219 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -12.534 0.567 -7.694 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -10.553 1.526 -6.462 1.00 0.92 C ATOM 0 H LEU B 71 -13.245 -2.278 -6.396 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.825 -2.261 -8.056 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.740 -0.859 -5.531 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -10.026 -0.983 -5.876 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.485 0.146 -8.104 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -12.558 1.465 -8.312 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -12.881 -0.285 -8.279 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.184 0.703 -6.830 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -10.620 2.410 -7.096 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -11.139 1.684 -5.556 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -9.511 1.350 -6.194 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.920 -4.375 -6.988 1.00 0.52 N ATOM 2766 CA LYS B 72 -9.171 -5.464 -6.331 1.00 0.54 C ATOM 2767 C LYS B 72 -7.932 -4.849 -5.662 1.00 0.48 C ATOM 2768 O LYS B 72 -7.604 -3.700 -5.952 1.00 0.46 O ATOM 2769 CB LYS B 72 -8.772 -6.563 -7.351 1.00 0.60 C ATOM 2770 CG LYS B 72 -8.483 -7.932 -6.719 1.00 0.78 C ATOM 2771 CD LYS B 72 -8.371 -9.062 -7.757 1.00 0.91 C ATOM 2772 CE LYS B 72 -6.942 -9.243 -8.294 1.00 1.29 C ATOM 2773 NZ LYS B 72 -6.672 -8.416 -9.508 1.00 1.81 N ATOM 0 H LYS B 72 -9.900 -4.403 -8.007 1.00 0.52 H new ATOM 0 HA LYS B 72 -9.797 -5.947 -5.581 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -9.574 -6.674 -8.081 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -7.888 -6.233 -7.897 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -7.555 -7.875 -6.151 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -9.276 -8.174 -6.011 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -8.705 -9.997 -7.306 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -9.042 -8.851 -8.589 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -6.229 -8.978 -7.513 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -6.778 -10.294 -8.532 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -5.733 -8.652 -9.887 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -7.395 -8.612 -10.229 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -6.700 -7.408 -9.254 1.00 1.81 H new ATOM 2787 N PHE B 73 -7.241 -5.581 -4.771 1.00 0.51 N ATOM 2788 CA PHE B 73 -6.040 -5.024 -4.099 1.00 0.49 C ATOM 2789 C PHE B 73 -4.925 -4.645 -5.106 1.00 0.46 C ATOM 2790 O PHE B 73 -4.047 -3.839 -4.779 1.00 0.46 O ATOM 2791 CB PHE B 73 -5.527 -5.967 -2.990 1.00 0.55 C ATOM 2792 CG PHE B 73 -5.666 -5.373 -1.599 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -6.898 -5.365 -0.943 1.00 0.90 C ATOM 2794 CD2 PHE B 73 -4.573 -4.803 -0.957 1.00 0.89 C ATOM 2795 CE1 PHE B 73 -7.025 -4.812 0.316 1.00 1.15 C ATOM 2796 CE2 PHE B 73 -4.700 -4.249 0.301 1.00 1.14 C ATOM 2797 CZ PHE B 73 -5.926 -4.253 0.939 1.00 1.23 C ATOM 0 H PHE B 73 -7.480 -6.535 -4.500 1.00 0.51 H new ATOM 0 HA PHE B 73 -6.345 -4.095 -3.618 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -6.078 -6.907 -3.035 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -4.479 -6.203 -3.176 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -7.762 -5.796 -1.426 1.00 0.90 H new ATOM 0 HD2 PHE B 73 -3.612 -4.793 -1.449 1.00 0.89 H new ATOM 0 HE1 PHE B 73 -7.984 -4.817 0.814 1.00 1.15 H new ATOM 0 HE2 PHE B 73 -3.840 -3.812 0.787 1.00 1.14 H new ATOM 0 HZ PHE B 73 -6.025 -3.820 1.923 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.964 -5.232 -6.325 1.00 0.47 N ATOM 2808 CA ASN B 74 -4.016 -4.891 -7.401 1.00 0.50 C ATOM 2809 C ASN B 74 -4.391 -3.509 -8.000 1.00 0.48 C ATOM 2810 O ASN B 74 -3.524 -2.789 -8.498 1.00 0.54 O ATOM 2811 CB ASN B 74 -4.023 -5.979 -8.497 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.703 -6.060 -9.259 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -2.456 -5.275 -10.172 1.00 0.99 O ATOM 2814 ND2 ASN B 74 -1.851 -7.019 -8.895 1.00 0.93 N ATOM 0 H ASN B 74 -5.645 -5.945 -6.584 1.00 0.47 H new ATOM 0 HA ASN B 74 -3.009 -4.839 -6.987 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -4.234 -6.946 -8.041 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.831 -5.775 -9.200 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -0.959 -7.120 -9.379 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -2.091 -7.652 -8.132 1.00 0.93 H new ATOM 2821 N GLU B 75 -5.707 -3.170 -7.963 1.00 0.44 N ATOM 2822 CA GLU B 75 -6.225 -1.869 -8.440 1.00 0.47 C ATOM 2823 C GLU B 75 -6.139 -0.824 -7.305 1.00 0.41 C ATOM 2824 O GLU B 75 -5.770 0.328 -7.545 1.00 0.42 O ATOM 2825 CB GLU B 75 -7.684 -2.006 -8.938 1.00 0.54 C ATOM 2826 CG GLU B 75 -7.826 -2.640 -10.327 1.00 0.64 C ATOM 2827 CD GLU B 75 -7.595 -4.147 -10.339 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -8.562 -4.897 -10.088 1.00 0.91 O ATOM 2829 OE2 GLU B 75 -6.451 -4.572 -10.605 1.00 0.93 O ATOM 0 H GLU B 75 -6.432 -3.791 -7.603 1.00 0.44 H new ATOM 0 HA GLU B 75 -5.613 -1.536 -9.278 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -8.245 -2.605 -8.220 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -8.143 -1.017 -8.955 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -8.824 -2.431 -10.712 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -7.117 -2.167 -11.007 1.00 0.64 H new ATOM 2836 N TYR B 76 -6.483 -1.251 -6.065 1.00 0.41 N ATOM 2837 CA TYR B 76 -6.409 -0.398 -4.852 1.00 0.39 C ATOM 2838 C TYR B 76 -4.930 -0.071 -4.504 1.00 0.36 C ATOM 2839 O TYR B 76 -4.656 0.854 -3.737 1.00 0.43 O ATOM 2840 CB TYR B 76 -7.096 -1.126 -3.673 1.00 0.43 C ATOM 2841 CG TYR B 76 -7.456 -0.244 -2.482 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.367 0.800 -2.611 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.906 -0.477 -1.223 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -8.711 1.586 -1.532 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -7.255 0.303 -0.136 1.00 0.59 C ATOM 2846 CZ TYR B 76 -8.156 1.332 -0.294 1.00 0.59 C ATOM 2847 OH TYR B 76 -8.512 2.105 0.791 1.00 0.71 O ATOM 0 H TYR B 76 -6.819 -2.196 -5.877 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.925 0.543 -5.043 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -8.006 -1.600 -4.041 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -6.438 -1.924 -3.328 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -8.813 0.998 -3.574 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -6.195 -1.280 -1.094 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -9.412 2.398 -1.655 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -6.822 0.106 0.834 1.00 0.59 H new ATOM 0 HH TYR B 76 -8.032 1.793 1.586 1.00 0.71 H new ATOM 2857 N TRP B 77 -4.004 -0.880 -5.076 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.532 -0.758 -4.943 1.00 0.40 C ATOM 2859 C TRP B 77 -2.020 0.704 -4.930 1.00 0.35 C ATOM 2860 O TRP B 77 -1.152 1.046 -4.121 1.00 0.37 O ATOM 2861 CB TRP B 77 -1.924 -1.530 -6.140 1.00 0.58 C ATOM 2862 CG TRP B 77 -0.434 -1.739 -6.172 1.00 0.48 C ATOM 2863 CD1 TRP B 77 0.458 -1.689 -5.138 1.00 0.56 C ATOM 2864 CD2 TRP B 77 0.325 -2.070 -7.341 1.00 0.74 C ATOM 2865 NE1 TRP B 77 1.724 -1.960 -5.599 1.00 0.79 N ATOM 2866 CE2 TRP B 77 1.665 -2.200 -6.950 1.00 0.94 C ATOM 2867 CE3 TRP B 77 -0.009 -2.266 -8.689 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 2.673 -2.521 -7.856 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 0.994 -2.583 -9.585 1.00 1.37 C ATOM 2870 CH2 TRP B 77 2.321 -2.708 -9.164 1.00 1.54 C ATOM 0 H TRP B 77 -4.274 -1.667 -5.666 1.00 0.39 H new ATOM 0 HA TRP B 77 -2.228 -1.167 -3.980 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -2.398 -2.511 -6.178 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -2.206 -1.004 -7.052 1.00 0.58 H new ATOM 0 HD1 TRP B 77 0.206 -1.469 -4.111 1.00 0.56 H new ATOM 0 HE1 TRP B 77 2.570 -1.980 -5.030 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -1.032 -2.171 -9.021 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 3.700 -2.619 -7.536 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 0.749 -2.736 -10.626 1.00 1.37 H new ATOM 0 HH2 TRP B 77 3.084 -2.957 -9.887 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.561 1.557 -5.831 1.00 0.37 N ATOM 2882 CA ARG B 78 -2.141 2.976 -5.943 1.00 0.41 C ATOM 2883 C ARG B 78 -2.555 3.830 -4.727 1.00 0.38 C ATOM 2884 O ARG B 78 -1.825 4.757 -4.366 1.00 0.45 O ATOM 2885 CB ARG B 78 -2.693 3.608 -7.240 1.00 0.49 C ATOM 2886 CG ARG B 78 -2.030 3.106 -8.527 1.00 0.68 C ATOM 2887 CD ARG B 78 -0.698 3.808 -8.816 1.00 0.88 C ATOM 2888 NE ARG B 78 -0.863 5.244 -9.132 1.00 1.17 N ATOM 2889 CZ ARG B 78 0.146 6.091 -9.429 1.00 1.72 C ATOM 2890 NH1 ARG B 78 1.420 5.679 -9.453 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -0.129 7.366 -9.715 1.00 2.15 N ATOM 0 H ARG B 78 -3.290 1.288 -6.492 1.00 0.37 H new ATOM 0 HA ARG B 78 -1.051 2.968 -5.972 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -3.763 3.411 -7.298 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -2.571 4.690 -7.182 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -1.861 2.032 -8.449 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -2.708 3.262 -9.366 1.00 0.68 H new ATOM 0 HD2 ARG B 78 -0.043 3.704 -7.951 1.00 0.88 H new ATOM 0 HD3 ARG B 78 -0.205 3.311 -9.651 1.00 0.88 H new ATOM 0 HE ARG B 78 -1.810 5.623 -9.125 1.00 1.17 H new ATOM 0 HH11 ARG B 78 1.645 4.706 -9.244 1.00 2.14 H new ATOM 0 HH12 ARG B 78 2.165 6.338 -9.680 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -1.095 7.693 -9.708 1.00 2.15 H new ATOM 0 HH22 ARG B 78 0.627 8.013 -9.940 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.709 3.522 -4.092 1.00 0.33 N ATOM 2906 CA LEU B 79 -4.181 4.296 -2.922 1.00 0.34 C ATOM 2907 C LEU B 79 -3.349 3.977 -1.666 1.00 0.32 C ATOM 2908 O LEU B 79 -3.219 4.832 -0.794 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.692 4.076 -2.645 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.427 5.252 -1.946 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.480 6.500 -2.842 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.835 4.837 -1.517 1.00 0.48 C ATOM 0 H LEU B 79 -4.323 2.754 -4.365 1.00 0.33 H new ATOM 0 HA LEU B 79 -4.043 5.349 -3.168 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -6.190 3.872 -3.593 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.803 3.184 -2.028 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.856 5.509 -1.054 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -7.002 7.302 -2.319 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -5.466 6.821 -3.079 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -7.010 6.263 -3.764 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -8.329 5.677 -1.030 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.409 4.537 -2.394 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.772 4.000 -0.821 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.793 2.740 -1.582 1.00 0.34 N ATOM 2925 CA ILE B 80 -1.937 2.329 -0.445 1.00 0.37 C ATOM 2926 C ILE B 80 -0.603 3.115 -0.488 1.00 0.36 C ATOM 2927 O ILE B 80 -0.083 3.513 0.560 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.654 0.778 -0.440 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -2.975 -0.045 -0.438 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -0.757 0.363 0.742 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -3.825 0.077 0.826 1.00 0.56 C ATOM 0 H ILE B 80 -2.923 2.015 -2.287 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.474 2.560 0.475 1.00 0.37 H new ATOM 0 HB ILE B 80 -1.117 0.554 -1.362 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -3.578 0.266 -1.291 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -2.728 -1.096 -0.589 1.00 0.47 H new ATOM 0 HG21 ILE B 80 -0.586 -0.713 0.709 1.00 0.54 H new ATOM 0 HG22 ILE B 80 0.198 0.884 0.675 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -1.247 0.624 1.680 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -4.721 -0.535 0.723 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -3.249 -0.265 1.686 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -4.112 1.118 0.972 1.00 0.56 H new ATOM 2943 N GLY B 81 -0.058 3.328 -1.714 1.00 0.36 N ATOM 2944 CA GLY B 81 1.182 4.095 -1.894 1.00 0.39 C ATOM 2945 C GLY B 81 0.991 5.575 -1.565 1.00 0.37 C ATOM 2946 O GLY B 81 1.880 6.203 -0.983 1.00 0.42 O ATOM 0 H GLY B 81 -0.463 2.977 -2.582 1.00 0.36 H new ATOM 0 HA2 GLY B 81 1.962 3.679 -1.256 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.525 3.994 -2.924 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.181 6.131 -1.954 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.534 7.533 -1.660 1.00 0.36 C ATOM 2952 C GLU B 82 -0.956 7.679 -0.180 1.00 0.33 C ATOM 2953 O GLU B 82 -0.851 8.769 0.389 1.00 0.40 O ATOM 2954 CB GLU B 82 -1.671 8.023 -2.588 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.340 7.989 -4.084 1.00 0.49 C ATOM 2956 CD GLU B 82 -0.404 9.107 -4.522 1.00 0.61 C ATOM 2957 OE1 GLU B 82 0.814 8.996 -4.266 1.00 0.79 O ATOM 2958 OE2 GLU B 82 -0.892 10.092 -5.117 1.00 0.91 O ATOM 0 H GLU B 82 -0.898 5.624 -2.474 1.00 0.34 H new ATOM 0 HA GLU B 82 0.346 8.150 -1.841 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.554 7.409 -2.412 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -1.932 9.044 -2.311 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -0.885 7.029 -4.326 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.266 8.056 -4.655 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.444 6.567 0.431 1.00 0.33 N ATOM 2966 CA LEU B 83 -1.863 6.540 1.853 1.00 0.35 C ATOM 2967 C LEU B 83 -0.681 6.888 2.784 1.00 0.37 C ATOM 2968 O LEU B 83 -0.819 7.728 3.675 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.431 5.139 2.231 1.00 0.42 C ATOM 2970 CG LEU B 83 -3.851 5.105 2.839 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -4.920 5.442 1.793 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -4.133 3.737 3.474 1.00 0.63 C ATOM 0 H LEU B 83 -1.556 5.672 -0.046 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.644 7.289 1.983 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.430 4.519 1.335 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -1.746 4.675 2.941 1.00 0.42 H new ATOM 0 HG LEU B 83 -3.896 5.868 3.616 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -5.906 5.408 2.257 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.739 6.441 1.397 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.876 4.716 0.981 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -5.138 3.732 3.897 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -4.056 2.960 2.713 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -3.406 3.546 4.263 1.00 0.63 H new ATOM 2984 N ALA B 84 0.478 6.226 2.558 1.00 0.38 N ATOM 2985 CA ALA B 84 1.694 6.454 3.363 1.00 0.44 C ATOM 2986 C ALA B 84 2.404 7.780 3.010 1.00 0.45 C ATOM 2987 O ALA B 84 3.109 8.337 3.855 1.00 0.55 O ATOM 2988 CB ALA B 84 2.657 5.278 3.206 1.00 0.55 C ATOM 0 H ALA B 84 0.593 5.529 1.822 1.00 0.38 H new ATOM 0 HA ALA B 84 1.378 6.532 4.403 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.550 5.457 3.804 1.00 0.55 H new ATOM 0 HB2 ALA B 84 2.171 4.363 3.544 1.00 0.55 H new ATOM 0 HB3 ALA B 84 2.937 5.174 2.158 1.00 0.55 H new ATOM 2994 N LYS B 85 2.220 8.280 1.767 1.00 0.41 N ATOM 2995 CA LYS B 85 2.847 9.543 1.320 1.00 0.45 C ATOM 2996 C LYS B 85 2.129 10.781 1.909 1.00 0.47 C ATOM 2997 O LYS B 85 2.782 11.779 2.220 1.00 0.57 O ATOM 2998 CB LYS B 85 2.874 9.617 -0.226 1.00 0.49 C ATOM 2999 CG LYS B 85 3.784 10.718 -0.788 1.00 0.57 C ATOM 3000 CD LYS B 85 3.720 10.836 -2.318 1.00 0.66 C ATOM 3001 CE LYS B 85 4.588 9.803 -3.050 1.00 0.79 C ATOM 3002 NZ LYS B 85 3.913 8.479 -3.208 1.00 1.10 N ATOM 0 H LYS B 85 1.643 7.828 1.057 1.00 0.41 H new ATOM 0 HA LYS B 85 3.872 9.550 1.692 1.00 0.45 H new ATOM 0 HB2 LYS B 85 3.202 8.655 -0.619 1.00 0.49 H new ATOM 0 HB3 LYS B 85 1.859 9.780 -0.588 1.00 0.49 H new ATOM 0 HG2 LYS B 85 3.503 11.673 -0.345 1.00 0.57 H new ATOM 0 HG3 LYS B 85 4.813 10.518 -0.489 1.00 0.57 H new ATOM 0 HD2 LYS B 85 2.685 10.722 -2.640 1.00 0.66 H new ATOM 0 HD3 LYS B 85 4.037 11.837 -2.611 1.00 0.66 H new ATOM 0 HE2 LYS B 85 4.851 10.190 -4.034 1.00 0.79 H new ATOM 0 HE3 LYS B 85 5.520 9.666 -2.502 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 4.254 8.017 -4.075 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 4.130 7.878 -2.387 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 2.884 8.619 -3.272 1.00 1.10 H new ATOM 3016 N GLU B 86 0.786 10.709 2.055 1.00 0.42 N ATOM 3017 CA GLU B 86 -0.014 11.828 2.602 1.00 0.46 C ATOM 3018 C GLU B 86 0.038 11.910 4.151 1.00 0.50 C ATOM 3019 O GLU B 86 -0.383 12.925 4.715 1.00 0.81 O ATOM 3020 CB GLU B 86 -1.487 11.723 2.138 1.00 0.52 C ATOM 3021 CG GLU B 86 -1.698 11.868 0.626 1.00 0.59 C ATOM 3022 CD GLU B 86 -1.457 13.279 0.110 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -2.352 14.134 0.279 1.00 1.48 O ATOM 3024 OE2 GLU B 86 -0.373 13.526 -0.459 1.00 1.68 O ATOM 0 H GLU B 86 0.235 9.889 1.802 1.00 0.42 H new ATOM 0 HA GLU B 86 0.434 12.742 2.212 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.885 10.759 2.455 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -2.069 12.491 2.647 1.00 0.52 H new ATOM 0 HG2 GLU B 86 -1.030 11.181 0.107 1.00 0.59 H new ATOM 0 HG3 GLU B 86 -2.717 11.569 0.379 1.00 0.59 H new ATOM 3031 N ILE B 87 0.546 10.859 4.842 1.00 0.48 N ATOM 3032 CA ILE B 87 0.633 10.867 6.321 1.00 0.51 C ATOM 3033 C ILE B 87 1.656 11.916 6.824 1.00 0.53 C ATOM 3034 O ILE B 87 1.382 12.635 7.789 1.00 0.58 O ATOM 3035 CB ILE B 87 0.940 9.427 6.908 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.304 9.227 8.316 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.440 9.083 6.929 1.00 0.62 C ATOM 3038 CD1 ILE B 87 0.804 10.163 9.411 1.00 0.63 C ATOM 0 H ILE B 87 0.897 10.007 4.405 1.00 0.48 H new ATOM 0 HA ILE B 87 -0.348 11.159 6.695 1.00 0.51 H new ATOM 0 HB ILE B 87 0.470 8.726 6.218 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.776 9.348 8.226 1.00 0.61 H new ATOM 0 HG13 ILE B 87 0.485 8.200 8.632 1.00 0.61 H new ATOM 0 HG21 ILE B 87 2.578 8.084 7.342 1.00 0.62 H new ATOM 0 HG22 ILE B 87 2.834 9.113 5.913 1.00 0.62 H new ATOM 0 HG23 ILE B 87 2.971 9.808 7.546 1.00 0.62 H new ATOM 0 HD11 ILE B 87 0.294 9.934 10.347 1.00 0.63 H new ATOM 0 HD12 ILE B 87 1.878 10.030 9.541 1.00 0.63 H new ATOM 0 HD13 ILE B 87 0.598 11.196 9.129 1.00 0.63 H new ATOM 3050 N ARG B 88 2.824 12.000 6.153 1.00 0.57 N ATOM 3051 CA ARG B 88 3.885 12.953 6.526 1.00 0.67 C ATOM 3052 C ARG B 88 3.850 14.210 5.636 1.00 0.67 C ATOM 3053 O ARG B 88 3.972 15.325 6.153 1.00 0.84 O ATOM 3054 CB ARG B 88 5.281 12.279 6.485 1.00 0.75 C ATOM 3055 CG ARG B 88 5.713 11.768 5.108 1.00 0.82 C ATOM 3056 CD ARG B 88 7.034 11.006 5.146 1.00 1.05 C ATOM 3057 NE ARG B 88 7.467 10.620 3.795 1.00 1.17 N ATOM 3058 CZ ARG B 88 6.849 9.715 3.001 1.00 1.26 C ATOM 3059 NH1 ARG B 88 5.844 8.951 3.456 1.00 1.64 N ATOM 3060 NH2 ARG B 88 7.262 9.565 1.745 1.00 1.55 N ATOM 0 H ARG B 88 3.054 11.417 5.349 1.00 0.57 H new ATOM 0 HA ARG B 88 3.696 13.270 7.552 1.00 0.67 H new ATOM 0 HB2 ARG B 88 6.023 12.994 6.840 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.285 11.442 7.184 1.00 0.75 H new ATOM 0 HG2 ARG B 88 4.936 11.118 4.707 1.00 0.82 H new ATOM 0 HG3 ARG B 88 5.806 12.613 4.425 1.00 0.82 H new ATOM 0 HD2 ARG B 88 7.800 11.625 5.613 1.00 1.05 H new ATOM 0 HD3 ARG B 88 6.925 10.115 5.764 1.00 1.05 H new ATOM 0 HE ARG B 88 8.303 11.072 3.425 1.00 1.17 H new ATOM 0 HH11 ARG B 88 5.529 9.045 4.422 1.00 1.64 H new ATOM 0 HH12 ARG B 88 5.395 8.276 2.836 1.00 1.64 H new ATOM 0 HH21 ARG B 88 8.035 10.128 1.392 1.00 1.55 H new ATOM 0 HH22 ARG B 88 6.805 8.887 1.136 1.00 1.55 H new ATOM 3074 N LYS B 89 3.667 14.033 4.303 1.00 0.60 N ATOM 3075 CA LYS B 89 3.631 15.165 3.360 1.00 0.67 C ATOM 3076 C LYS B 89 2.346 15.187 2.499 1.00 0.63 C ATOM 3077 O LYS B 89 2.334 14.712 1.356 1.00 0.76 O ATOM 3078 CB LYS B 89 4.904 15.191 2.469 1.00 0.76 C ATOM 3079 CG LYS B 89 5.203 13.894 1.710 1.00 0.78 C ATOM 3080 CD LYS B 89 6.429 14.028 0.803 1.00 1.06 C ATOM 3081 CE LYS B 89 6.662 12.758 -0.010 1.00 1.32 C ATOM 3082 NZ LYS B 89 7.940 12.794 -0.777 1.00 1.65 N ATOM 0 H LYS B 89 3.543 13.120 3.865 1.00 0.60 H new ATOM 0 HA LYS B 89 3.615 16.073 3.963 1.00 0.67 H new ATOM 0 HB2 LYS B 89 4.804 16.000 1.746 1.00 0.76 H new ATOM 0 HB3 LYS B 89 5.762 15.430 3.098 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.367 13.086 2.423 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.336 13.618 1.109 1.00 0.78 H new ATOM 0 HD2 LYS B 89 6.294 14.874 0.129 1.00 1.06 H new ATOM 0 HD3 LYS B 89 7.310 14.241 1.409 1.00 1.06 H new ATOM 0 HE2 LYS B 89 6.669 11.898 0.660 1.00 1.32 H new ATOM 0 HE3 LYS B 89 5.831 12.616 -0.702 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 8.049 11.908 -1.311 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 7.926 13.597 -1.437 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 8.737 12.901 -0.118 1.00 1.65 H new ATOM 3096 N LYS B 90 1.252 15.727 3.071 1.00 0.58 N ATOM 3097 CA LYS B 90 -0.026 15.881 2.337 1.00 0.56 C ATOM 3098 C LYS B 90 0.004 17.194 1.532 1.00 0.54 C ATOM 3099 O LYS B 90 -0.587 17.280 0.450 1.00 0.58 O ATOM 3100 CB LYS B 90 -1.258 15.840 3.277 1.00 0.59 C ATOM 3101 CG LYS B 90 -1.239 16.852 4.434 1.00 0.66 C ATOM 3102 CD LYS B 90 -2.409 16.662 5.410 1.00 0.96 C ATOM 3103 CE LYS B 90 -3.757 17.105 4.834 1.00 1.48 C ATOM 3104 NZ LYS B 90 -3.800 18.564 4.507 1.00 2.03 N ATOM 0 H LYS B 90 1.224 16.063 4.034 1.00 0.58 H new ATOM 0 HA LYS B 90 -0.128 15.034 1.658 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -2.154 16.012 2.681 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -1.341 14.837 3.695 1.00 0.59 H new ATOM 0 HG2 LYS B 90 -0.299 16.757 4.978 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -1.272 17.863 4.027 1.00 0.66 H new ATOM 0 HD2 LYS B 90 -2.470 15.611 5.692 1.00 0.96 H new ATOM 0 HD3 LYS B 90 -2.208 17.226 6.321 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -3.968 16.530 3.933 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -4.546 16.875 5.551 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -4.789 18.867 4.400 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 -3.354 19.105 5.275 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -3.287 18.736 3.619 1.00 2.03 H new ATOM 3118 N LYS B 91 0.693 18.216 2.090 1.00 0.55 N ATOM 3119 CA LYS B 91 0.874 19.522 1.447 1.00 0.59 C ATOM 3120 C LYS B 91 2.308 20.017 1.717 1.00 0.62 C ATOM 3121 O LYS B 91 2.520 20.892 2.565 1.00 0.69 O ATOM 3122 CB LYS B 91 -0.161 20.544 1.965 1.00 0.64 C ATOM 3123 CG LYS B 91 -1.603 20.243 1.560 1.00 0.74 C ATOM 3124 CD LYS B 91 -2.553 21.379 1.956 1.00 0.84 C ATOM 3125 CE LYS B 91 -3.953 21.206 1.365 1.00 1.14 C ATOM 3126 NZ LYS B 91 -3.978 21.408 -0.115 1.00 1.36 N ATOM 0 H LYS B 91 1.139 18.149 3.005 1.00 0.55 H new ATOM 0 HA LYS B 91 0.719 19.417 0.373 1.00 0.59 H new ATOM 0 HB2 LYS B 91 -0.103 20.582 3.053 1.00 0.64 H new ATOM 0 HB3 LYS B 91 0.108 21.534 1.596 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -1.653 20.086 0.483 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -1.928 19.316 2.033 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.624 21.426 3.043 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -2.136 22.329 1.622 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -4.322 20.207 1.598 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -4.633 21.915 1.837 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -4.964 21.432 -0.446 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -3.512 22.307 -0.351 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -3.475 20.626 -0.581 1.00 1.36 H new ATOM 3140 N ASP B 92 3.298 19.422 1.010 1.00 0.66 N ATOM 3141 CA ASP B 92 4.728 19.800 1.166 1.00 0.74 C ATOM 3142 C ASP B 92 5.025 21.131 0.445 1.00 0.92 C ATOM 3143 O ASP B 92 5.706 21.167 -0.589 1.00 1.72 O ATOM 3144 CB ASP B 92 5.678 18.670 0.688 1.00 0.75 C ATOM 3145 CG ASP B 92 5.353 18.127 -0.699 1.00 0.88 C ATOM 3146 OD1 ASP B 92 4.525 17.194 -0.791 1.00 0.93 O ATOM 3147 OD2 ASP B 92 5.922 18.636 -1.687 1.00 1.15 O ATOM 0 H ASP B 92 3.136 18.681 0.328 1.00 0.66 H new ATOM 0 HA ASP B 92 4.917 19.944 2.230 1.00 0.74 H new ATOM 0 HB2 ASP B 92 6.701 19.046 0.688 1.00 0.75 H new ATOM 0 HB3 ASP B 92 5.639 17.850 1.405 1.00 0.75 H new ATOM 3152 N LEU B 93 4.486 22.223 1.013 1.00 0.63 N ATOM 3153 CA LEU B 93 4.640 23.586 0.464 1.00 0.66 C ATOM 3154 C LEU B 93 4.089 24.622 1.466 1.00 0.69 C ATOM 3155 O LEU B 93 4.740 25.636 1.740 1.00 0.82 O ATOM 3156 CB LEU B 93 3.912 23.714 -0.902 1.00 0.71 C ATOM 3157 CG LEU B 93 4.460 24.792 -1.868 1.00 0.97 C ATOM 3158 CD1 LEU B 93 5.832 24.393 -2.428 1.00 1.27 C ATOM 3159 CD2 LEU B 93 3.470 25.055 -3.008 1.00 1.18 C ATOM 0 H LEU B 93 3.930 22.188 1.867 1.00 0.63 H new ATOM 0 HA LEU B 93 5.701 23.778 0.303 1.00 0.66 H new ATOM 0 HB2 LEU B 93 3.955 22.748 -1.406 1.00 0.71 H new ATOM 0 HB3 LEU B 93 2.860 23.927 -0.711 1.00 0.71 H new ATOM 0 HG LEU B 93 4.584 25.713 -1.299 1.00 0.97 H new ATOM 0 HD11 LEU B 93 6.190 25.171 -3.103 1.00 1.27 H new ATOM 0 HD12 LEU B 93 6.539 24.272 -1.607 1.00 1.27 H new ATOM 0 HD13 LEU B 93 5.743 23.453 -2.972 1.00 1.27 H new ATOM 0 HD21 LEU B 93 3.876 25.816 -3.674 1.00 1.18 H new ATOM 0 HD22 LEU B 93 3.306 24.134 -3.567 1.00 1.18 H new ATOM 0 HD23 LEU B 93 2.523 25.403 -2.595 1.00 1.18 H new ATOM 3171 N LYS B 94 2.878 24.345 2.002 1.00 0.66 N ATOM 3172 CA LYS B 94 2.219 25.209 2.994 1.00 0.74 C ATOM 3173 C LYS B 94 2.553 24.732 4.425 1.00 0.70 C ATOM 3174 O LYS B 94 2.869 25.553 5.291 1.00 0.79 O ATOM 3175 CB LYS B 94 0.686 25.210 2.764 1.00 0.84 C ATOM 3176 CG LYS B 94 -0.078 26.349 3.456 1.00 1.00 C ATOM 3177 CD LYS B 94 0.221 27.722 2.837 1.00 1.15 C ATOM 3178 CE LYS B 94 -0.670 28.830 3.406 1.00 1.45 C ATOM 3179 NZ LYS B 94 -0.481 29.033 4.877 1.00 1.61 N ATOM 0 H LYS B 94 2.336 23.517 1.756 1.00 0.66 H new ATOM 0 HA LYS B 94 2.589 26.228 2.876 1.00 0.74 H new ATOM 0 HB2 LYS B 94 0.495 25.265 1.692 1.00 0.84 H new ATOM 0 HB3 LYS B 94 0.282 24.259 3.111 1.00 0.84 H new ATOM 0 HG2 LYS B 94 -1.148 26.153 3.396 1.00 1.00 H new ATOM 0 HG3 LYS B 94 0.184 26.367 4.514 1.00 1.00 H new ATOM 0 HD2 LYS B 94 1.267 27.976 3.012 1.00 1.15 H new ATOM 0 HD3 LYS B 94 0.083 27.668 1.757 1.00 1.15 H new ATOM 0 HE2 LYS B 94 -0.457 29.764 2.885 1.00 1.45 H new ATOM 0 HE3 LYS B 94 -1.714 28.586 3.209 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 -1.109 29.794 5.206 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 -0.710 28.153 5.381 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 0.508 29.293 5.067 1.00 1.61 H new ATOM 3193 N ILE B 95 2.479 23.396 4.657 1.00 0.65 N ATOM 3194 CA ILE B 95 2.775 22.786 5.974 1.00 0.66 C ATOM 3195 C ILE B 95 3.755 21.597 5.835 1.00 0.68 C ATOM 3196 O ILE B 95 3.436 20.598 5.185 1.00 0.78 O ATOM 3197 CB ILE B 95 1.467 22.321 6.714 1.00 0.74 C ATOM 3198 CG1 ILE B 95 0.515 21.531 5.769 1.00 0.83 C ATOM 3199 CG2 ILE B 95 0.748 23.530 7.324 1.00 0.84 C ATOM 3200 CD1 ILE B 95 -0.576 20.755 6.489 1.00 1.04 C ATOM 0 H ILE B 95 2.215 22.719 3.941 1.00 0.65 H new ATOM 0 HA ILE B 95 3.247 23.561 6.578 1.00 0.66 H new ATOM 0 HB ILE B 95 1.760 21.642 7.514 1.00 0.74 H new ATOM 0 HG12 ILE B 95 0.050 22.230 5.074 1.00 0.83 H new ATOM 0 HG13 ILE B 95 1.107 20.836 5.174 1.00 0.83 H new ATOM 0 HG21 ILE B 95 -0.156 23.197 7.834 1.00 0.84 H new ATOM 0 HG22 ILE B 95 1.407 24.023 8.039 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.481 24.231 6.534 1.00 0.84 H new ATOM 0 HD11 ILE B 95 -1.194 20.234 5.758 1.00 1.04 H new ATOM 0 HD12 ILE B 95 -0.122 20.029 7.164 1.00 1.04 H new ATOM 0 HD13 ILE B 95 -1.195 21.445 7.062 1.00 1.04 H new ATOM 3212 N ARG B 96 4.959 21.725 6.437 1.00 0.70 N ATOM 3213 CA ARG B 96 5.992 20.666 6.386 1.00 0.79 C ATOM 3214 C ARG B 96 6.723 20.517 7.746 1.00 0.79 C ATOM 3215 O ARG B 96 7.961 20.504 7.806 1.00 1.02 O ATOM 3216 CB ARG B 96 6.993 20.945 5.230 1.00 0.99 C ATOM 3217 CG ARG B 96 7.734 22.288 5.319 1.00 1.12 C ATOM 3218 CD ARG B 96 8.668 22.520 4.129 1.00 1.41 C ATOM 3219 NE ARG B 96 9.792 21.554 4.090 1.00 1.59 N ATOM 3220 CZ ARG B 96 11.116 21.859 4.039 1.00 2.01 C ATOM 3221 NH1 ARG B 96 11.560 23.123 4.042 1.00 2.42 N ATOM 3222 NH2 ARG B 96 12.011 20.868 3.994 1.00 2.37 N ATOM 0 H ARG B 96 5.239 22.552 6.964 1.00 0.70 H new ATOM 0 HA ARG B 96 5.496 19.716 6.187 1.00 0.79 H new ATOM 0 HB2 ARG B 96 7.730 20.142 5.207 1.00 0.99 H new ATOM 0 HB3 ARG B 96 6.452 20.908 4.285 1.00 0.99 H new ATOM 0 HG2 ARG B 96 7.007 23.098 5.370 1.00 1.12 H new ATOM 0 HG3 ARG B 96 8.312 22.320 6.243 1.00 1.12 H new ATOM 0 HD2 ARG B 96 8.097 22.445 3.204 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.066 23.534 4.177 1.00 1.41 H new ATOM 0 HE ARG B 96 9.548 20.564 4.103 1.00 1.59 H new ATOM 0 HH11 ARG B 96 10.896 23.897 4.084 1.00 2.42 H new ATOM 0 HH12 ARG B 96 12.562 23.312 4.003 1.00 2.42 H new ATOM 0 HH21 ARG B 96 11.698 19.897 3.998 1.00 2.37 H new ATOM 0 HH22 ARG B 96 13.008 21.082 3.955 1.00 2.37 H new ATOM 3236 N LYS B 97 5.945 20.393 8.846 1.00 0.72 N ATOM 3237 CA LYS B 97 6.514 20.236 10.206 1.00 0.76 C ATOM 3238 C LYS B 97 5.470 19.670 11.207 1.00 0.76 C ATOM 3239 O LYS B 97 5.408 20.107 12.364 1.00 1.04 O ATOM 3240 CB LYS B 97 7.101 21.582 10.709 1.00 0.89 C ATOM 3241 CG LYS B 97 6.102 22.745 10.751 1.00 0.94 C ATOM 3242 CD LYS B 97 6.714 24.010 11.366 1.00 1.16 C ATOM 3243 CE LYS B 97 5.686 25.135 11.512 1.00 1.49 C ATOM 3244 NZ LYS B 97 4.642 24.828 12.540 1.00 1.86 N ATOM 0 H LYS B 97 4.925 20.398 8.820 1.00 0.72 H new ATOM 0 HA LYS B 97 7.324 19.509 10.145 1.00 0.76 H new ATOM 0 HB2 LYS B 97 7.506 21.434 11.710 1.00 0.89 H new ATOM 0 HB3 LYS B 97 7.935 21.861 10.065 1.00 0.89 H new ATOM 0 HG2 LYS B 97 5.758 22.964 9.740 1.00 0.94 H new ATOM 0 HG3 LYS B 97 5.226 22.449 11.328 1.00 0.94 H new ATOM 0 HD2 LYS B 97 7.131 23.772 12.344 1.00 1.16 H new ATOM 0 HD3 LYS B 97 7.540 24.353 10.742 1.00 1.16 H new ATOM 0 HE2 LYS B 97 6.198 26.058 11.784 1.00 1.49 H new ATOM 0 HE3 LYS B 97 5.204 25.309 10.550 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 4.042 25.665 12.686 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.056 24.034 12.213 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 5.102 24.572 13.437 1.00 1.86 H new ATOM 3258 N LYS B 98 4.667 18.681 10.759 1.00 0.71 N ATOM 3259 CA LYS B 98 3.637 18.053 11.609 1.00 0.74 C ATOM 3260 C LYS B 98 3.539 16.549 11.323 1.00 0.90 C ATOM 3261 O LYS B 98 3.793 15.756 12.256 1.00 1.07 O ATOM 3262 CB LYS B 98 2.266 18.736 11.401 1.00 0.96 C ATOM 3263 CG LYS B 98 1.206 18.327 12.431 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.160 18.945 12.130 1.00 1.52 C ATOM 3265 CE LYS B 98 -1.238 18.458 13.100 1.00 1.69 C ATOM 3266 NZ LYS B 98 -1.118 19.080 14.455 1.00 1.85 N ATOM 3267 OXT LYS B 98 3.205 16.179 10.176 1.00 1.15 O ATOM 0 H LYS B 98 4.714 18.302 9.813 1.00 0.71 H new ATOM 0 HA LYS B 98 3.931 18.184 12.650 1.00 0.74 H new ATOM 0 HB2 LYS B 98 2.400 19.817 11.441 1.00 0.96 H new ATOM 0 HB3 LYS B 98 1.900 18.497 10.403 1.00 0.96 H new ATOM 0 HG2 LYS B 98 1.116 17.241 12.446 1.00 1.08 H new ATOM 0 HG3 LYS B 98 1.531 18.634 13.425 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -0.086 20.031 12.186 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.453 18.698 11.110 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.221 18.683 12.687 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.173 17.374 13.195 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -1.872 18.716 15.072 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -0.191 18.845 14.864 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -1.207 20.113 14.372 1.00 1.85 H new TER 3281 LYS B 98 HETATM 3282 NAA ANW A 99 13.093 16.059 9.142 1.00 4.56 N HETATM 3283 NAB ANW A 99 14.557 17.790 8.621 1.00 6.22 N HETATM 3284 CAC ANW A 99 11.223 8.320 11.710 1.00 5.26 C HETATM 3285 CAD ANW A 99 10.705 9.578 12.413 1.00 4.51 C HETATM 3286 CAE ANW A 99 9.193 9.464 12.623 1.00 5.16 C HETATM 3287 CAF ANW A 99 10.996 10.702 11.647 1.00 3.64 C HETATM 3288 CAG ANW A 99 11.828 11.687 12.169 1.00 3.13 C HETATM 3289 CAH ANW A 99 12.200 12.776 11.388 1.00 2.76 C HETATM 3290 CAI ANW A 99 11.722 12.888 10.085 1.00 3.04 C HETATM 3291 CAJ ANW A 99 10.883 11.911 9.565 1.00 3.59 C HETATM 3292 CAK ANW A 99 10.524 10.817 10.343 1.00 3.84 C HETATM 3293 CAL ANW A 99 12.814 14.971 9.874 1.00 3.63 C HETATM 3294 CAM ANW A 99 14.085 16.893 9.483 1.00 5.17 C HETATM 3295 CAN ANW A 99 14.850 16.671 10.622 1.00 5.05 C HETATM 3296 CAO ANW A 99 14.591 15.540 11.387 1.00 4.25 C HETATM 3297 CAP ANW A 99 13.563 14.685 11.009 1.00 3.42 C HETATM 3298 CAQ ANW A 99 13.176 13.650 11.847 1.00 3.01 C HETATM 3299 CAR ANW A 99 15.698 17.658 11.112 1.00 6.05 C HETATM 3300 OAS ANW A 99 12.036 13.988 9.343 1.00 3.49 O HETATM 3301 OAT ANW A 99 13.707 13.487 12.946 1.00 3.52 O HETATM 3302 OAU ANW A 99 16.415 17.423 12.110 1.00 6.33 O HETATM 3303 OAV ANW A 99 15.733 18.784 10.573 1.00 6.88 O HETATM 0 HOAV ANW A 99 16.366 19.357 11.054 1.00 6.88 H new HETATM 0 HNAB ANW A 99 14.163 17.851 7.682 1.00 6.22 H new HETATM 0 HNAA ANW A 99 15.313 18.416 8.899 1.00 6.22 H new HETATM 0 HAEB ANW A 99 8.698 9.360 11.657 1.00 5.16 H new HETATM 0 HAEA ANW A 99 8.976 8.591 13.238 1.00 5.16 H new HETATM 0 HACB ANW A 99 11.008 7.445 12.324 1.00 5.26 H new HETATM 0 HACA ANW A 99 10.731 8.215 10.743 1.00 5.26 H new HETATM 0 HAO ANW A 99 15.188 15.326 12.274 1.00 4.25 H new HETATM 0 HAK ANW A 99 9.871 10.047 9.931 1.00 3.84 H new HETATM 0 HAJ ANW A 99 10.506 12.002 8.546 1.00 3.59 H new HETATM 0 HAG ANW A 99 12.190 11.605 13.194 1.00 3.13 H new HETATM 0 HAE ANW A 99 8.827 10.360 13.123 1.00 5.16 H new HETATM 0 HAD ANW A 99 11.194 9.676 13.382 1.00 4.51 H new HETATM 0 HAC ANW A 99 12.300 8.403 11.562 1.00 5.26 H new HETATM 3317 NAA ANW B 99 -9.048 -13.263 2.307 1.00 4.81 N HETATM 3318 NAB ANW B 99 -9.198 -13.963 0.096 1.00 6.57 N HETATM 3319 CAC ANW B 99 -12.445 -11.099 9.610 1.00 5.53 C HETATM 3320 CAD ANW B 99 -11.389 -12.204 9.507 1.00 4.77 C HETATM 3321 CAE ANW B 99 -10.295 -11.972 10.552 1.00 5.55 C HETATM 3322 CAF ANW B 99 -10.833 -12.213 8.233 1.00 3.85 C HETATM 3323 CAG ANW B 99 -11.006 -13.324 7.415 1.00 3.21 C HETATM 3324 CAH ANW B 99 -10.528 -13.315 6.110 1.00 2.83 C HETATM 3325 CAI ANW B 99 -9.856 -12.197 5.627 1.00 3.21 C HETATM 3326 CAJ ANW B 99 -9.667 -11.089 6.447 1.00 3.83 C HETATM 3327 CAK ANW B 99 -10.160 -11.096 7.747 1.00 4.12 C HETATM 3328 CAL ANW B 99 -9.543 -13.279 3.552 1.00 3.82 C HETATM 3329 CAM ANW B 99 -9.446 -14.155 1.389 1.00 5.45 C HETATM 3330 CAN ANW B 99 -10.372 -15.144 1.701 1.00 5.26 C HETATM 3331 CAO ANW B 99 -10.900 -15.182 2.986 1.00 4.33 C HETATM 3332 CAP ANW B 99 -10.481 -14.239 3.918 1.00 3.50 C HETATM 3333 CAQ ANW B 99 -10.882 -14.341 5.244 1.00 3.00 C HETATM 3334 CAR ANW B 99 -10.640 -16.177 0.812 1.00 6.31 C HETATM 3335 OAS ANW B 99 -9.374 -12.189 4.352 1.00 3.68 O HETATM 3336 OAT ANW B 99 -11.553 -15.296 5.633 1.00 3.40 O HETATM 3337 OAU ANW B 99 -11.515 -17.026 1.087 1.00 6.52 O HETATM 3338 OAV ANW B 99 -9.997 -16.271 -0.256 1.00 7.25 O HETATM 0 HOAV ANW B 99 -10.301 -17.059 -0.753 1.00 7.25 H new HETATM 0 HNAB ANW B 99 -8.698 -13.128 -0.209 1.00 6.57 H new HETATM 0 HNAA ANW B 99 -9.507 -14.651 -0.590 1.00 6.57 H new HETATM 0 HAEB ANW B 99 -9.824 -11.005 10.377 1.00 5.55 H new HETATM 0 HAEA ANW B 99 -10.735 -11.986 11.549 1.00 5.55 H new HETATM 0 HACB ANW B 99 -12.889 -11.111 10.606 1.00 5.53 H new HETATM 0 HACA ANW B 99 -11.977 -10.131 9.433 1.00 5.53 H new HETATM 0 HAO ANW B 99 -11.633 -15.941 3.260 1.00 4.33 H new HETATM 0 HAK ANW B 99 -10.019 -10.225 8.387 1.00 4.12 H new HETATM 0 HAJ ANW B 99 -9.133 -10.216 6.071 1.00 3.83 H new HETATM 0 HAG ANW B 99 -11.519 -14.206 7.799 1.00 3.21 H new HETATM 0 HAE ANW B 99 -9.546 -12.760 10.476 1.00 5.55 H new HETATM 0 HAD ANW B 99 -11.862 -13.168 9.692 1.00 4.77 H new HETATM 0 HAC ANW B 99 -13.222 -11.268 8.864 1.00 5.53 H new