USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1022 hydrogens (0 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 28 TYR OH : rot 77:sc= 0.198 USER MOD Set 1.2: A 47 SER OG : rot -135:sc= 1.62 USER MOD Set 2.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 MET CE :methyl -167:sc= -0.714 (180deg=-1.2) USER MOD Single : A 12 SER OG : rot 12:sc= 0.651 USER MOD Single : A 20 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-4.5!) USER MOD Single : A 30 THR OG1 : rot -160:sc=0.000637 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 35 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.264 (180deg=-0.574) USER MOD Single : A 44 TYR OH : rot 15:sc= 1.2 USER MOD Single : A 48 SER OG : rot -130:sc= -0.708 USER MOD Single : A 52 THR OG1 : rot 22:sc= 0.125 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -100:sc= -0.825 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.045) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= -0.241 (180deg=-2.61!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -147:sc= -2.71 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0264) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.52) USER MOD Single : A 89 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 96 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.32) USER MOD Single : A 100 MET CE :methyl 138:sc= -5.25! (180deg=-8.85!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -151:sc= -1.26 (180deg=-3.46!) USER MOD Single : A 112 THR OG1 : rot -42:sc= 0.129 USER MOD Single : A 113 MET CE :methyl -138:sc= -3.3! (180deg=-4.41!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.99) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -150:sc= -0.542 (180deg=-1.86!) USER MOD Single : A 132 ASN : amide:sc= -0.388 K(o=-0.39,f=0.47) USER MOD Single : A 134 THR OG1 : rot -39:sc= 1.15 USER MOD Single : A 138 THR OG1 : rot -83:sc= 0.096 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 4.154 -5.505 8.119 1.00 63.42 N ATOM 2 CA SER A 12 3.226 -5.838 7.044 1.00 22.14 C ATOM 3 C SER A 12 3.738 -5.319 5.704 1.00 22.32 C ATOM 4 O SER A 12 3.834 -4.112 5.489 1.00 43.12 O ATOM 5 CB SER A 12 1.844 -5.252 7.337 1.00 54.24 C ATOM 6 OG SER A 12 1.654 -5.062 8.728 1.00 73.10 O ATOM 0 HA SER A 12 3.148 -6.924 6.987 1.00 22.14 H new ATOM 0 HB2 SER A 12 1.732 -4.300 6.818 1.00 54.24 H new ATOM 0 HB3 SER A 12 1.074 -5.919 6.949 1.00 54.24 H new ATOM 0 HG SER A 12 2.510 -5.170 9.193 1.00 73.10 H new ATOM 12 N GLY A 13 4.066 -6.243 4.805 1.00 1.23 N ATOM 13 CA GLY A 13 4.565 -5.861 3.497 1.00 14.41 C ATOM 14 C GLY A 13 5.063 -7.048 2.697 1.00 52.30 C ATOM 15 O GLY A 13 6.225 -7.440 2.812 1.00 73.00 O ATOM 0 H GLY A 13 3.995 -7.249 4.960 1.00 1.23 H new ATOM 0 HA2 GLY A 13 3.773 -5.359 2.942 1.00 14.41 H new ATOM 0 HA3 GLY A 13 5.375 -5.142 3.617 1.00 14.41 H new ATOM 19 N LEU A 14 4.183 -7.623 1.885 1.00 52.21 N ATOM 20 CA LEU A 14 4.539 -8.774 1.063 1.00 71.31 C ATOM 21 C LEU A 14 4.965 -8.335 -0.334 1.00 43.01 C ATOM 22 O LEU A 14 4.666 -7.221 -0.765 1.00 31.24 O ATOM 23 CB LEU A 14 3.358 -9.742 0.967 1.00 22.24 C ATOM 24 CG LEU A 14 3.479 -11.031 1.782 1.00 41.23 C ATOM 25 CD1 LEU A 14 4.722 -11.806 1.373 1.00 50.11 C ATOM 26 CD2 LEU A 14 3.508 -10.720 3.271 1.00 2.30 C ATOM 0 H LEU A 14 3.218 -7.311 1.778 1.00 52.21 H new ATOM 0 HA LEU A 14 5.380 -9.281 1.537 1.00 71.31 H new ATOM 0 HB2 LEU A 14 2.457 -9.217 1.286 1.00 22.24 H new ATOM 0 HB3 LEU A 14 3.217 -10.010 -0.080 1.00 22.24 H new ATOM 0 HG LEU A 14 2.606 -11.651 1.578 1.00 41.23 H new ATOM 0 HD11 LEU A 14 4.792 -12.720 1.963 1.00 50.11 H new ATOM 0 HD12 LEU A 14 4.660 -12.061 0.315 1.00 50.11 H new ATOM 0 HD13 LEU A 14 5.607 -11.193 1.547 1.00 50.11 H new ATOM 0 HD21 LEU A 14 3.594 -11.649 3.835 1.00 2.30 H new ATOM 0 HD22 LEU A 14 4.362 -10.080 3.492 1.00 2.30 H new ATOM 0 HD23 LEU A 14 2.588 -10.208 3.554 1.00 2.30 H new ATOM 38 N VAL A 15 5.665 -9.219 -1.039 1.00 52.40 N ATOM 39 CA VAL A 15 6.130 -8.924 -2.389 1.00 53.31 C ATOM 40 C VAL A 15 5.453 -9.828 -3.413 1.00 40.11 C ATOM 41 O VAL A 15 4.986 -10.923 -3.099 1.00 24.11 O ATOM 42 CB VAL A 15 7.657 -9.088 -2.505 1.00 52.12 C ATOM 43 CG1 VAL A 15 8.371 -7.894 -1.889 1.00 73.41 C ATOM 44 CG2 VAL A 15 8.104 -10.385 -1.848 1.00 43.21 C ATOM 0 H VAL A 15 5.922 -10.145 -0.697 1.00 52.40 H new ATOM 0 HA VAL A 15 5.867 -7.886 -2.595 1.00 53.31 H new ATOM 0 HB VAL A 15 7.921 -9.133 -3.561 1.00 52.12 H new ATOM 0 HG11 VAL A 15 9.449 -8.028 -1.980 1.00 73.41 H new ATOM 0 HG12 VAL A 15 8.073 -6.984 -2.409 1.00 73.41 H new ATOM 0 HG13 VAL A 15 8.103 -7.814 -0.835 1.00 73.41 H new ATOM 0 HG21 VAL A 15 9.186 -10.485 -1.939 1.00 43.21 H new ATOM 0 HG22 VAL A 15 7.828 -10.373 -0.794 1.00 43.21 H new ATOM 0 HG23 VAL A 15 7.619 -11.228 -2.340 1.00 43.21 H new ATOM 54 N PRO A 16 5.398 -9.361 -4.669 1.00 74.24 N ATOM 55 CA PRO A 16 4.781 -10.113 -5.766 1.00 53.35 C ATOM 56 C PRO A 16 5.593 -11.343 -6.155 1.00 62.12 C ATOM 57 O PRO A 16 5.107 -12.219 -6.872 1.00 3.55 O ATOM 58 CB PRO A 16 4.755 -9.103 -6.917 1.00 72.51 C ATOM 59 CG PRO A 16 5.864 -8.156 -6.615 1.00 10.01 C ATOM 60 CD PRO A 16 5.933 -8.064 -5.116 1.00 24.34 C ATOM 0 HA PRO A 16 3.798 -10.497 -5.495 1.00 53.35 H new ATOM 0 HB2 PRO A 16 4.905 -9.594 -7.878 1.00 72.51 H new ATOM 0 HB3 PRO A 16 3.797 -8.587 -6.969 1.00 72.51 H new ATOM 0 HG2 PRO A 16 6.807 -8.515 -7.028 1.00 10.01 H new ATOM 0 HG3 PRO A 16 5.674 -7.178 -7.058 1.00 10.01 H new ATOM 0 HD2 PRO A 16 6.955 -7.910 -4.770 1.00 24.34 H new ATOM 0 HD3 PRO A 16 5.339 -7.232 -4.737 1.00 24.34 H new ATOM 68 N ARG A 17 6.832 -11.403 -5.678 1.00 62.22 N ATOM 69 CA ARG A 17 7.712 -12.527 -5.977 1.00 1.41 C ATOM 70 C ARG A 17 7.062 -13.848 -5.577 1.00 52.13 C ATOM 71 O ARG A 17 7.264 -14.873 -6.227 1.00 50.43 O ATOM 72 CB ARG A 17 9.048 -12.363 -5.250 1.00 1.13 C ATOM 73 CG ARG A 17 10.171 -11.862 -6.144 1.00 13.14 C ATOM 74 CD ARG A 17 9.820 -10.528 -6.784 1.00 11.24 C ATOM 75 NE ARG A 17 9.343 -10.687 -8.155 1.00 34.24 N ATOM 76 CZ ARG A 17 10.139 -10.951 -9.184 1.00 63.51 C ATOM 77 NH1 ARG A 17 11.445 -11.086 -8.999 1.00 3.24 N ATOM 78 NH2 ARG A 17 9.630 -11.082 -10.402 1.00 71.53 N ATOM 0 H ARG A 17 7.249 -10.687 -5.083 1.00 62.22 H new ATOM 0 HA ARG A 17 7.890 -12.541 -7.052 1.00 1.41 H new ATOM 0 HB2 ARG A 17 8.918 -11.668 -4.421 1.00 1.13 H new ATOM 0 HB3 ARG A 17 9.338 -13.322 -4.820 1.00 1.13 H new ATOM 0 HG2 ARG A 17 11.084 -11.757 -5.558 1.00 13.14 H new ATOM 0 HG3 ARG A 17 10.374 -12.598 -6.922 1.00 13.14 H new ATOM 0 HD2 ARG A 17 9.054 -10.031 -6.189 1.00 11.24 H new ATOM 0 HD3 ARG A 17 10.697 -9.881 -6.778 1.00 11.24 H new ATOM 0 HE ARG A 17 8.343 -10.590 -8.332 1.00 34.24 H new ATOM 0 HH11 ARG A 17 11.841 -10.987 -8.064 1.00 3.24 H new ATOM 0 HH12 ARG A 17 12.054 -11.289 -9.792 1.00 3.24 H new ATOM 0 HH21 ARG A 17 8.626 -10.980 -10.549 1.00 71.53 H new ATOM 0 HH22 ARG A 17 10.243 -11.285 -11.192 1.00 71.53 H new ATOM 92 N GLY A 18 6.280 -13.816 -4.502 1.00 50.32 N ATOM 93 CA GLY A 18 5.613 -15.016 -4.034 1.00 73.30 C ATOM 94 C GLY A 18 6.284 -15.614 -2.814 1.00 21.34 C ATOM 95 O GLY A 18 6.435 -16.832 -2.714 1.00 14.14 O ATOM 0 H GLY A 18 6.097 -12.980 -3.947 1.00 50.32 H new ATOM 0 HA2 GLY A 18 4.575 -14.782 -3.796 1.00 73.30 H new ATOM 0 HA3 GLY A 18 5.597 -15.755 -4.835 1.00 73.30 H new ATOM 99 N SER A 19 6.690 -14.756 -1.883 1.00 63.14 N ATOM 100 CA SER A 19 7.355 -15.206 -0.666 1.00 33.31 C ATOM 101 C SER A 19 7.703 -14.023 0.232 1.00 34.23 C ATOM 102 O SER A 19 7.704 -12.873 -0.209 1.00 24.43 O ATOM 103 CB SER A 19 8.623 -15.989 -1.011 1.00 71.23 C ATOM 104 OG SER A 19 9.399 -15.302 -1.977 1.00 43.12 O ATOM 0 H SER A 19 6.570 -13.745 -1.949 1.00 63.14 H new ATOM 0 HA SER A 19 6.669 -15.860 -0.127 1.00 33.31 H new ATOM 0 HB2 SER A 19 9.215 -16.145 -0.109 1.00 71.23 H new ATOM 0 HB3 SER A 19 8.354 -16.975 -1.390 1.00 71.23 H new ATOM 0 HG SER A 19 10.205 -15.822 -2.179 1.00 43.12 H new ATOM 110 N HIS A 20 7.997 -14.314 1.496 1.00 52.23 N ATOM 111 CA HIS A 20 8.347 -13.275 2.458 1.00 42.35 C ATOM 112 C HIS A 20 9.861 -13.112 2.554 1.00 41.10 C ATOM 113 O HIS A 20 10.403 -12.890 3.636 1.00 22.23 O ATOM 114 CB HIS A 20 7.770 -13.608 3.833 1.00 33.24 C ATOM 115 CG HIS A 20 6.331 -14.024 3.795 1.00 64.15 C ATOM 116 ND1 HIS A 20 5.919 -15.269 3.369 1.00 22.21 N ATOM 117 CD2 HIS A 20 5.206 -13.352 4.133 1.00 61.21 C ATOM 118 CE1 HIS A 20 4.603 -15.345 3.446 1.00 55.32 C ATOM 119 NE2 HIS A 20 4.145 -14.195 3.907 1.00 44.51 N ATOM 0 H HIS A 20 8.000 -15.260 1.877 1.00 52.23 H new ATOM 0 HA HIS A 20 7.919 -12.334 2.112 1.00 42.35 H new ATOM 0 HB2 HIS A 20 8.359 -14.408 4.281 1.00 33.24 H new ATOM 0 HB3 HIS A 20 7.871 -12.737 4.481 1.00 33.24 H new ATOM 0 HD2 HIS A 20 5.152 -12.341 4.510 1.00 61.21 H new ATOM 0 HE1 HIS A 20 4.003 -16.202 3.178 1.00 55.32 H new ATOM 0 HE2 HIS A 20 3.163 -13.970 4.069 1.00 44.51 H new ATOM 127 N MET A 21 10.537 -13.224 1.415 1.00 22.34 N ATOM 128 CA MET A 21 11.989 -13.089 1.372 1.00 34.03 C ATOM 129 C MET A 21 12.391 -11.687 0.925 1.00 31.30 C ATOM 130 O MET A 21 13.567 -11.327 0.962 1.00 4.34 O ATOM 131 CB MET A 21 12.592 -14.131 0.428 1.00 34.03 C ATOM 132 CG MET A 21 12.948 -15.439 1.115 1.00 22.33 C ATOM 133 SD MET A 21 11.494 -16.385 1.606 1.00 74.23 S ATOM 134 CE MET A 21 11.375 -17.551 0.251 1.00 24.12 C ATOM 0 H MET A 21 10.103 -13.408 0.510 1.00 22.34 H new ATOM 0 HA MET A 21 12.375 -13.255 2.378 1.00 34.03 H new ATOM 0 HB2 MET A 21 11.885 -14.333 -0.376 1.00 34.03 H new ATOM 0 HB3 MET A 21 13.489 -13.716 -0.033 1.00 34.03 H new ATOM 0 HG2 MET A 21 13.559 -16.042 0.444 1.00 22.33 H new ATOM 0 HG3 MET A 21 13.554 -15.229 1.996 1.00 22.33 H new ATOM 0 HE1 MET A 21 10.406 -18.049 0.284 1.00 24.12 H new ATOM 0 HE2 MET A 21 11.478 -17.021 -0.696 1.00 24.12 H new ATOM 0 HE3 MET A 21 12.168 -18.293 0.339 1.00 24.12 H new ATOM 144 N VAL A 22 11.407 -10.901 0.502 1.00 54.44 N ATOM 145 CA VAL A 22 11.658 -9.538 0.048 1.00 63.12 C ATOM 146 C VAL A 22 10.508 -8.612 0.425 1.00 13.22 C ATOM 147 O VAL A 22 9.369 -9.052 0.584 1.00 22.40 O ATOM 148 CB VAL A 22 11.867 -9.484 -1.477 1.00 63.12 C ATOM 149 CG1 VAL A 22 12.330 -8.099 -1.904 1.00 61.52 C ATOM 150 CG2 VAL A 22 12.863 -10.547 -1.916 1.00 42.00 C ATOM 0 H VAL A 22 10.428 -11.184 0.464 1.00 54.44 H new ATOM 0 HA VAL A 22 12.568 -9.202 0.544 1.00 63.12 H new ATOM 0 HB VAL A 22 10.914 -9.688 -1.964 1.00 63.12 H new ATOM 0 HG11 VAL A 22 12.472 -8.080 -2.984 1.00 61.52 H new ATOM 0 HG12 VAL A 22 11.578 -7.362 -1.624 1.00 61.52 H new ATOM 0 HG13 VAL A 22 13.272 -7.862 -1.410 1.00 61.52 H new ATOM 0 HG21 VAL A 22 12.999 -10.495 -2.996 1.00 42.00 H new ATOM 0 HG22 VAL A 22 13.819 -10.376 -1.421 1.00 42.00 H new ATOM 0 HG23 VAL A 22 12.486 -11.533 -1.645 1.00 42.00 H new ATOM 160 N ARG A 23 10.813 -7.326 0.567 1.00 75.03 N ATOM 161 CA ARG A 23 9.804 -6.337 0.926 1.00 13.22 C ATOM 162 C ARG A 23 10.022 -5.035 0.161 1.00 2.32 C ATOM 163 O ARG A 23 11.152 -4.687 -0.183 1.00 21.35 O ATOM 164 CB ARG A 23 9.836 -6.068 2.432 1.00 44.32 C ATOM 165 CG ARG A 23 10.981 -6.763 3.150 1.00 23.21 C ATOM 166 CD ARG A 23 10.645 -8.213 3.461 1.00 32.14 C ATOM 167 NE ARG A 23 10.787 -8.515 4.883 1.00 4.12 N ATOM 168 CZ ARG A 23 10.245 -9.578 5.467 1.00 54.41 C ATOM 169 NH1 ARG A 23 9.527 -10.435 4.754 1.00 23.45 N ATOM 170 NH2 ARG A 23 10.419 -9.784 6.766 1.00 63.11 N ATOM 0 H ARG A 23 11.750 -6.945 0.439 1.00 75.03 H new ATOM 0 HA ARG A 23 8.827 -6.737 0.656 1.00 13.22 H new ATOM 0 HB2 ARG A 23 9.912 -4.994 2.599 1.00 44.32 H new ATOM 0 HB3 ARG A 23 8.893 -6.393 2.871 1.00 44.32 H new ATOM 0 HG2 ARG A 23 11.878 -6.721 2.533 1.00 23.21 H new ATOM 0 HG3 ARG A 23 11.206 -6.234 4.076 1.00 23.21 H new ATOM 0 HD2 ARG A 23 9.623 -8.424 3.146 1.00 32.14 H new ATOM 0 HD3 ARG A 23 11.298 -8.868 2.884 1.00 32.14 H new ATOM 0 HE ARG A 23 11.332 -7.874 5.459 1.00 4.12 H new ATOM 0 HH11 ARG A 23 9.390 -10.279 3.755 1.00 23.45 H new ATOM 0 HH12 ARG A 23 9.112 -11.251 5.204 1.00 23.45 H new ATOM 0 HH21 ARG A 23 10.969 -9.126 7.318 1.00 63.11 H new ATOM 0 HH22 ARG A 23 10.002 -10.601 7.213 1.00 63.11 H new ATOM 184 N ARG A 24 8.933 -4.320 -0.102 1.00 45.54 N ATOM 185 CA ARG A 24 9.006 -3.057 -0.828 1.00 72.22 C ATOM 186 C ARG A 24 9.425 -1.920 0.099 1.00 24.30 C ATOM 187 O ARG A 24 8.625 -1.044 0.424 1.00 1.21 O ATOM 188 CB ARG A 24 7.655 -2.735 -1.469 1.00 14.30 C ATOM 189 CG ARG A 24 7.738 -1.697 -2.576 1.00 51.50 C ATOM 190 CD ARG A 24 7.959 -2.346 -3.933 1.00 43.11 C ATOM 191 NE ARG A 24 6.700 -2.704 -4.580 1.00 61.14 N ATOM 192 CZ ARG A 24 5.924 -1.831 -5.212 1.00 41.55 C ATOM 193 NH1 ARG A 24 6.277 -0.554 -5.282 1.00 70.42 N ATOM 194 NH2 ARG A 24 4.793 -2.233 -5.777 1.00 32.21 N ATOM 0 H ARG A 24 7.990 -4.593 0.176 1.00 45.54 H new ATOM 0 HA ARG A 24 9.757 -3.160 -1.611 1.00 72.22 H new ATOM 0 HB2 ARG A 24 7.227 -3.652 -1.874 1.00 14.30 H new ATOM 0 HB3 ARG A 24 6.972 -2.378 -0.698 1.00 14.30 H new ATOM 0 HG2 ARG A 24 6.819 -1.112 -2.597 1.00 51.50 H new ATOM 0 HG3 ARG A 24 8.553 -1.004 -2.366 1.00 51.50 H new ATOM 0 HD2 ARG A 24 8.515 -1.663 -4.575 1.00 43.11 H new ATOM 0 HD3 ARG A 24 8.571 -3.240 -3.812 1.00 43.11 H new ATOM 0 HE ARG A 24 6.400 -3.678 -4.545 1.00 61.14 H new ATOM 0 HH11 ARG A 24 7.146 -0.241 -4.850 1.00 70.42 H new ATOM 0 HH12 ARG A 24 5.679 0.114 -5.768 1.00 70.42 H new ATOM 0 HH21 ARG A 24 4.518 -3.214 -5.726 1.00 32.21 H new ATOM 0 HH22 ARG A 24 4.198 -1.561 -6.262 1.00 32.21 H new ATOM 208 N ALA A 25 10.685 -1.942 0.521 1.00 23.54 N ATOM 209 CA ALA A 25 11.212 -0.913 1.410 1.00 75.45 C ATOM 210 C ALA A 25 12.092 0.071 0.648 1.00 44.11 C ATOM 211 O ALA A 25 12.261 -0.043 -0.566 1.00 64.42 O ATOM 212 CB ALA A 25 11.992 -1.549 2.550 1.00 32.54 C ATOM 0 H ALA A 25 11.360 -2.661 0.262 1.00 23.54 H new ATOM 0 HA ALA A 25 10.370 -0.360 1.826 1.00 75.45 H new ATOM 0 HB1 ALA A 25 12.379 -0.769 3.205 1.00 32.54 H new ATOM 0 HB2 ALA A 25 11.334 -2.207 3.118 1.00 32.54 H new ATOM 0 HB3 ALA A 25 12.822 -2.128 2.145 1.00 32.54 H new ATOM 218 N ARG A 26 12.651 1.038 1.368 1.00 11.24 N ATOM 219 CA ARG A 26 13.513 2.044 0.759 1.00 31.05 C ATOM 220 C ARG A 26 14.967 1.834 1.171 1.00 43.52 C ATOM 221 O ARG A 26 15.251 1.202 2.188 1.00 20.34 O ATOM 222 CB ARG A 26 13.056 3.448 1.159 1.00 32.05 C ATOM 223 CG ARG A 26 13.734 4.557 0.371 1.00 35.22 C ATOM 224 CD ARG A 26 12.798 5.736 0.152 1.00 65.25 C ATOM 225 NE ARG A 26 13.380 6.990 0.622 1.00 54.31 N ATOM 226 CZ ARG A 26 12.902 8.187 0.301 1.00 15.53 C ATOM 227 NH1 ARG A 26 11.840 8.292 -0.486 1.00 71.11 N ATOM 228 NH2 ARG A 26 13.485 9.283 0.769 1.00 3.41 N ATOM 0 H ARG A 26 12.522 1.146 2.374 1.00 11.24 H new ATOM 0 HA ARG A 26 13.441 1.941 -0.324 1.00 31.05 H new ATOM 0 HB2 ARG A 26 11.977 3.523 1.021 1.00 32.05 H new ATOM 0 HB3 ARG A 26 13.252 3.596 2.221 1.00 32.05 H new ATOM 0 HG2 ARG A 26 14.624 4.892 0.904 1.00 35.22 H new ATOM 0 HG3 ARG A 26 14.066 4.170 -0.593 1.00 35.22 H new ATOM 0 HD2 ARG A 26 12.563 5.820 -0.909 1.00 65.25 H new ATOM 0 HD3 ARG A 26 11.858 5.555 0.673 1.00 65.25 H new ATOM 0 HE ARG A 26 14.198 6.944 1.230 1.00 54.31 H new ATOM 0 HH11 ARG A 26 11.388 7.452 -0.847 1.00 71.11 H new ATOM 0 HH12 ARG A 26 11.475 9.213 -0.731 1.00 71.11 H new ATOM 0 HH21 ARG A 26 14.301 9.207 1.376 1.00 3.41 H new ATOM 0 HH22 ARG A 26 13.117 10.202 0.522 1.00 3.41 H new ATOM 242 N CYS A 27 15.885 2.369 0.373 1.00 44.51 N ATOM 243 CA CYS A 27 17.310 2.241 0.652 1.00 5.12 C ATOM 244 C CYS A 27 17.988 3.609 0.665 1.00 73.44 C ATOM 245 O CYS A 27 17.401 4.607 0.247 1.00 41.31 O ATOM 246 CB CYS A 27 17.976 1.339 -0.389 1.00 44.52 C ATOM 247 SG CYS A 27 16.803 0.422 -1.438 1.00 33.25 S ATOM 0 H CYS A 27 15.667 2.896 -0.473 1.00 44.51 H new ATOM 0 HA CYS A 27 17.422 1.791 1.638 1.00 5.12 H new ATOM 0 HB2 CYS A 27 18.616 1.949 -1.026 1.00 44.52 H new ATOM 0 HB3 CYS A 27 18.622 0.626 0.124 1.00 44.52 H new ATOM 252 N TYR A 28 19.225 3.645 1.146 1.00 41.10 N ATOM 253 CA TYR A 28 19.982 4.889 1.215 1.00 11.50 C ATOM 254 C TYR A 28 21.463 4.642 0.945 1.00 51.21 C ATOM 255 O TYR A 28 22.001 3.571 1.225 1.00 21.20 O ATOM 256 CB TYR A 28 19.804 5.543 2.586 1.00 4.44 C ATOM 257 CG TYR A 28 20.339 4.709 3.729 1.00 42.44 C ATOM 258 CD1 TYR A 28 21.700 4.672 4.010 1.00 55.41 C ATOM 259 CD2 TYR A 28 19.485 3.958 4.526 1.00 71.12 C ATOM 260 CE1 TYR A 28 22.193 3.911 5.052 1.00 10.40 C ATOM 261 CE2 TYR A 28 19.969 3.195 5.571 1.00 42.32 C ATOM 262 CZ TYR A 28 21.324 3.175 5.830 1.00 51.12 C ATOM 263 OH TYR A 28 21.810 2.416 6.869 1.00 24.50 O ATOM 0 H TYR A 28 19.725 2.827 1.494 1.00 41.10 H new ATOM 0 HA TYR A 28 19.599 5.561 0.447 1.00 11.50 H new ATOM 0 HB2 TYR A 28 20.307 6.510 2.586 1.00 4.44 H new ATOM 0 HB3 TYR A 28 18.744 5.735 2.753 1.00 4.44 H new ATOM 0 HD1 TYR A 28 22.383 5.248 3.403 1.00 55.41 H new ATOM 0 HD2 TYR A 28 18.424 3.971 4.325 1.00 71.12 H new ATOM 0 HE1 TYR A 28 23.253 3.892 5.256 1.00 10.40 H new ATOM 0 HE2 TYR A 28 19.291 2.618 6.182 1.00 42.32 H new ATOM 0 HH TYR A 28 22.024 2.998 7.628 1.00 24.50 H new ATOM 273 N PRO A 29 22.139 5.658 0.387 1.00 22.45 N ATOM 274 CA PRO A 29 23.567 5.576 0.068 1.00 45.52 C ATOM 275 C PRO A 29 24.441 5.552 1.318 1.00 52.15 C ATOM 276 O PRO A 29 24.574 6.558 2.015 1.00 50.41 O ATOM 277 CB PRO A 29 23.823 6.852 -0.739 1.00 4.24 C ATOM 278 CG PRO A 29 22.768 7.803 -0.288 1.00 65.15 C ATOM 279 CD PRO A 29 21.562 6.963 0.027 1.00 54.21 C ATOM 0 HA PRO A 29 23.813 4.659 -0.468 1.00 45.52 H new ATOM 0 HB2 PRO A 29 24.821 7.248 -0.548 1.00 4.24 H new ATOM 0 HB3 PRO A 29 23.754 6.663 -1.810 1.00 4.24 H new ATOM 0 HG2 PRO A 29 23.095 8.361 0.589 1.00 65.15 H new ATOM 0 HG3 PRO A 29 22.543 8.533 -1.065 1.00 65.15 H new ATOM 0 HD2 PRO A 29 20.981 7.385 0.847 1.00 54.21 H new ATOM 0 HD3 PRO A 29 20.893 6.884 -0.830 1.00 54.21 H new ATOM 287 N THR A 30 25.035 4.396 1.596 1.00 5.11 N ATOM 288 CA THR A 30 25.896 4.241 2.762 1.00 34.52 C ATOM 289 C THR A 30 27.079 5.200 2.704 1.00 30.24 C ATOM 290 O THR A 30 27.154 6.155 3.477 1.00 24.34 O ATOM 291 CB THR A 30 26.424 2.799 2.882 1.00 33.55 C ATOM 292 OG1 THR A 30 25.506 1.888 2.267 1.00 60.22 O ATOM 293 CG2 THR A 30 26.624 2.416 4.341 1.00 65.40 C ATOM 0 H THR A 30 24.936 3.553 1.030 1.00 5.11 H new ATOM 0 HA THR A 30 25.288 4.472 3.637 1.00 34.52 H new ATOM 0 HB THR A 30 27.386 2.744 2.372 1.00 33.55 H new ATOM 0 HG1 THR A 30 25.665 0.983 2.608 1.00 60.22 H new ATOM 0 HG21 THR A 30 26.997 1.394 4.401 1.00 65.40 H new ATOM 0 HG22 THR A 30 27.345 3.093 4.799 1.00 65.40 H new ATOM 0 HG23 THR A 30 25.673 2.487 4.869 1.00 65.40 H new ATOM 301 N SER A 31 28.001 4.940 1.783 1.00 21.11 N ATOM 302 CA SER A 31 29.183 5.779 1.627 1.00 42.23 C ATOM 303 C SER A 31 29.121 6.568 0.322 1.00 14.23 C ATOM 304 O SER A 31 28.168 6.443 -0.446 1.00 64.34 O ATOM 305 CB SER A 31 30.451 4.923 1.657 1.00 35.35 C ATOM 306 OG SER A 31 31.192 5.151 2.843 1.00 13.15 O ATOM 0 H SER A 31 27.952 4.155 1.134 1.00 21.11 H new ATOM 0 HA SER A 31 29.209 6.484 2.458 1.00 42.23 H new ATOM 0 HB2 SER A 31 30.183 3.869 1.589 1.00 35.35 H new ATOM 0 HB3 SER A 31 31.069 5.152 0.789 1.00 35.35 H new ATOM 0 HG SER A 31 31.996 4.591 2.839 1.00 13.15 H new ATOM 312 N ASN A 32 30.143 7.382 0.081 1.00 63.14 N ATOM 313 CA ASN A 32 30.205 8.193 -1.130 1.00 64.31 C ATOM 314 C ASN A 32 30.377 7.314 -2.365 1.00 71.42 C ATOM 315 O ASN A 32 29.673 7.481 -3.361 1.00 23.41 O ATOM 316 CB ASN A 32 31.358 9.195 -1.039 1.00 61.43 C ATOM 317 CG ASN A 32 30.874 10.631 -1.008 1.00 1.51 C ATOM 318 OD1 ASN A 32 30.713 11.267 -2.050 1.00 74.30 O ATOM 319 ND2 ASN A 32 30.640 11.151 0.192 1.00 65.22 N ATOM 0 H ASN A 32 30.939 7.498 0.708 1.00 63.14 H new ATOM 0 HA ASN A 32 29.265 8.738 -1.221 1.00 64.31 H new ATOM 0 HB2 ASN A 32 31.942 8.992 -0.142 1.00 61.43 H new ATOM 0 HB3 ASN A 32 32.024 9.057 -1.891 1.00 61.43 H new ATOM 0 HD21 ASN A 32 30.313 12.114 0.276 1.00 65.22 H new ATOM 0 HD22 ASN A 32 30.787 10.588 1.029 1.00 65.22 H new ATOM 326 N ALA A 33 31.317 6.377 -2.292 1.00 73.21 N ATOM 327 CA ALA A 33 31.579 5.470 -3.403 1.00 20.35 C ATOM 328 C ALA A 33 30.828 4.155 -3.226 1.00 74.44 C ATOM 329 O ALA A 33 30.062 3.742 -4.099 1.00 4.41 O ATOM 330 CB ALA A 33 33.073 5.213 -3.532 1.00 61.24 C ATOM 0 H ALA A 33 31.909 6.226 -1.475 1.00 73.21 H new ATOM 0 HA ALA A 33 31.222 5.942 -4.318 1.00 20.35 H new ATOM 0 HB1 ALA A 33 33.255 4.534 -4.365 1.00 61.24 H new ATOM 0 HB2 ALA A 33 33.590 6.155 -3.712 1.00 61.24 H new ATOM 0 HB3 ALA A 33 33.446 4.765 -2.611 1.00 61.24 H new ATOM 336 N THR A 34 31.051 3.498 -2.092 1.00 73.01 N ATOM 337 CA THR A 34 30.396 2.228 -1.802 1.00 43.44 C ATOM 338 C THR A 34 30.614 1.816 -0.351 1.00 13.41 C ATOM 339 O THR A 34 31.571 2.248 0.290 1.00 51.12 O ATOM 340 CB THR A 34 30.911 1.108 -2.725 1.00 22.50 C ATOM 341 OG1 THR A 34 30.573 -0.172 -2.178 1.00 11.34 O ATOM 342 CG2 THR A 34 32.419 1.205 -2.905 1.00 74.14 C ATOM 0 H THR A 34 31.681 3.825 -1.359 1.00 73.01 H new ATOM 0 HA THR A 34 29.330 2.374 -1.979 1.00 43.44 H new ATOM 0 HB THR A 34 30.436 1.224 -3.699 1.00 22.50 H new ATOM 0 HG1 THR A 34 30.903 -0.879 -2.772 1.00 11.34 H new ATOM 0 HG21 THR A 34 32.759 0.404 -3.561 1.00 74.14 H new ATOM 0 HG22 THR A 34 32.671 2.168 -3.348 1.00 74.14 H new ATOM 0 HG23 THR A 34 32.908 1.113 -1.935 1.00 74.14 H new ATOM 350 N ASN A 35 29.719 0.978 0.162 1.00 71.13 N ATOM 351 CA ASN A 35 29.814 0.507 1.539 1.00 54.22 C ATOM 352 C ASN A 35 30.762 -0.684 1.643 1.00 54.34 C ATOM 353 O ASN A 35 30.939 -1.436 0.684 1.00 20.41 O ATOM 354 CB ASN A 35 28.430 0.119 2.063 1.00 12.04 C ATOM 355 CG ASN A 35 28.395 0.009 3.575 1.00 34.15 C ATOM 356 OD1 ASN A 35 29.134 0.700 4.277 1.00 63.54 O ATOM 357 ND2 ASN A 35 27.532 -0.863 4.085 1.00 24.02 N ATOM 0 H ASN A 35 28.920 0.611 -0.355 1.00 71.13 H new ATOM 0 HA ASN A 35 30.212 1.319 2.148 1.00 54.22 H new ATOM 0 HB2 ASN A 35 27.700 0.861 1.738 1.00 12.04 H new ATOM 0 HB3 ASN A 35 28.132 -0.834 1.625 1.00 12.04 H new ATOM 0 HD21 ASN A 35 27.463 -0.980 5.096 1.00 24.02 H new ATOM 0 HD22 ASN A 35 26.939 -1.415 3.466 1.00 24.02 H new ATOM 364 N THR A 36 31.369 -0.849 2.814 1.00 60.44 N ATOM 365 CA THR A 36 32.299 -1.948 3.043 1.00 1.35 C ATOM 366 C THR A 36 31.985 -2.670 4.349 1.00 44.31 C ATOM 367 O THR A 36 31.595 -2.047 5.337 1.00 51.44 O ATOM 368 CB THR A 36 33.757 -1.451 3.082 1.00 14.22 C ATOM 369 OG1 THR A 36 33.893 -0.271 2.282 1.00 65.31 O ATOM 370 CG2 THR A 36 34.708 -2.525 2.578 1.00 62.20 C ATOM 0 H THR A 36 31.233 -0.236 3.618 1.00 60.44 H new ATOM 0 HA THR A 36 32.181 -2.641 2.210 1.00 1.35 H new ATOM 0 HB THR A 36 34.012 -1.219 4.116 1.00 14.22 H new ATOM 0 HG1 THR A 36 34.822 0.040 2.313 1.00 65.31 H new ATOM 0 HG21 THR A 36 35.731 -2.151 2.615 1.00 62.20 H new ATOM 0 HG22 THR A 36 34.622 -3.411 3.207 1.00 62.20 H new ATOM 0 HG23 THR A 36 34.453 -2.784 1.550 1.00 62.20 H new ATOM 378 N CYS A 37 32.159 -3.987 4.347 1.00 21.15 N ATOM 379 CA CYS A 37 31.895 -4.795 5.532 1.00 50.01 C ATOM 380 C CYS A 37 33.025 -5.792 5.774 1.00 50.44 C ATOM 381 O CYS A 37 33.322 -6.629 4.921 1.00 34.24 O ATOM 382 CB CYS A 37 30.567 -5.540 5.381 1.00 10.42 C ATOM 383 SG CYS A 37 30.225 -6.728 6.719 1.00 70.13 S ATOM 0 H CYS A 37 32.482 -4.518 3.538 1.00 21.15 H new ATOM 0 HA CYS A 37 31.834 -4.126 6.391 1.00 50.01 H new ATOM 0 HB2 CYS A 37 29.757 -4.812 5.340 1.00 10.42 H new ATOM 0 HB3 CYS A 37 30.567 -6.071 4.429 1.00 10.42 H new ATOM 388 N PHE A 38 33.652 -5.695 6.941 1.00 0.13 N ATOM 389 CA PHE A 38 34.750 -6.587 7.296 1.00 52.13 C ATOM 390 C PHE A 38 35.857 -6.529 6.248 1.00 64.44 C ATOM 391 O PHE A 38 36.206 -7.541 5.641 1.00 73.24 O ATOM 392 CB PHE A 38 34.242 -8.023 7.439 1.00 21.13 C ATOM 393 CG PHE A 38 33.730 -8.343 8.815 1.00 61.24 C ATOM 394 CD1 PHE A 38 33.143 -7.361 9.596 1.00 73.14 C ATOM 395 CD2 PHE A 38 33.837 -9.626 9.327 1.00 72.45 C ATOM 396 CE1 PHE A 38 32.670 -7.652 10.861 1.00 21.44 C ATOM 397 CE2 PHE A 38 33.366 -9.924 10.591 1.00 13.33 C ATOM 398 CZ PHE A 38 32.783 -8.935 11.360 1.00 32.32 C ATOM 0 H PHE A 38 33.419 -5.008 7.658 1.00 0.13 H new ATOM 0 HA PHE A 38 35.160 -6.257 8.251 1.00 52.13 H new ATOM 0 HB2 PHE A 38 33.445 -8.192 6.715 1.00 21.13 H new ATOM 0 HB3 PHE A 38 35.049 -8.712 7.191 1.00 21.13 H new ATOM 0 HD1 PHE A 38 33.054 -6.356 9.211 1.00 73.14 H new ATOM 0 HD2 PHE A 38 34.294 -10.402 8.731 1.00 72.45 H new ATOM 0 HE1 PHE A 38 32.213 -6.878 11.459 1.00 21.44 H new ATOM 0 HE2 PHE A 38 33.453 -10.929 10.978 1.00 13.33 H new ATOM 0 HZ PHE A 38 32.416 -9.165 12.350 1.00 32.32 H new ATOM 408 N GLY A 39 36.407 -5.336 6.040 1.00 32.45 N ATOM 409 CA GLY A 39 37.468 -5.168 5.065 1.00 3.23 C ATOM 410 C GLY A 39 37.126 -5.785 3.724 1.00 44.13 C ATOM 411 O GLY A 39 38.013 -6.215 2.986 1.00 4.14 O ATOM 0 H GLY A 39 36.136 -4.483 6.530 1.00 32.45 H new ATOM 0 HA2 GLY A 39 37.670 -4.105 4.932 1.00 3.23 H new ATOM 0 HA3 GLY A 39 38.383 -5.621 5.447 1.00 3.23 H new ATOM 415 N SER A 40 35.836 -5.830 3.406 1.00 24.34 N ATOM 416 CA SER A 40 35.379 -6.405 2.147 1.00 52.44 C ATOM 417 C SER A 40 34.212 -5.604 1.577 1.00 50.14 C ATOM 418 O SER A 40 33.083 -5.700 2.058 1.00 31.50 O ATOM 419 CB SER A 40 34.961 -7.863 2.348 1.00 4.41 C ATOM 420 OG SER A 40 36.051 -8.741 2.122 1.00 15.35 O ATOM 0 H SER A 40 35.089 -5.475 4.003 1.00 24.34 H new ATOM 0 HA SER A 40 36.206 -6.367 1.438 1.00 52.44 H new ATOM 0 HB2 SER A 40 34.583 -8.000 3.361 1.00 4.41 H new ATOM 0 HB3 SER A 40 34.145 -8.108 1.668 1.00 4.41 H new ATOM 0 HG SER A 40 35.759 -9.667 2.258 1.00 15.35 H new ATOM 426 N LYS A 41 34.493 -4.812 0.547 1.00 31.31 N ATOM 427 CA LYS A 41 33.469 -3.994 -0.092 1.00 34.44 C ATOM 428 C LYS A 41 32.254 -4.838 -0.466 1.00 0.31 C ATOM 429 O LYS A 41 32.387 -5.899 -1.076 1.00 71.43 O ATOM 430 CB LYS A 41 34.035 -3.314 -1.340 1.00 70.31 C ATOM 431 CG LYS A 41 35.074 -2.249 -1.034 1.00 72.23 C ATOM 432 CD LYS A 41 35.428 -1.444 -2.273 1.00 52.31 C ATOM 433 CE LYS A 41 35.343 0.052 -2.009 1.00 35.33 C ATOM 434 NZ LYS A 41 35.476 0.845 -3.262 1.00 14.11 N ATOM 0 H LYS A 41 35.422 -4.720 0.137 1.00 31.31 H new ATOM 0 HA LYS A 41 33.154 -3.230 0.619 1.00 34.44 H new ATOM 0 HB2 LYS A 41 34.482 -4.071 -1.985 1.00 70.31 H new ATOM 0 HB3 LYS A 41 33.217 -2.861 -1.900 1.00 70.31 H new ATOM 0 HG2 LYS A 41 34.695 -1.581 -0.261 1.00 72.23 H new ATOM 0 HG3 LYS A 41 35.973 -2.720 -0.636 1.00 72.23 H new ATOM 0 HD2 LYS A 41 36.436 -1.700 -2.599 1.00 52.31 H new ATOM 0 HD3 LYS A 41 34.753 -1.710 -3.086 1.00 52.31 H new ATOM 0 HE2 LYS A 41 34.390 0.283 -1.532 1.00 35.33 H new ATOM 0 HE3 LYS A 41 36.128 0.343 -1.310 1.00 35.33 H new ATOM 0 HZ1 LYS A 41 35.164 1.822 -3.089 1.00 14.11 H new ATOM 0 HZ2 LYS A 41 36.470 0.847 -3.567 1.00 14.11 H new ATOM 0 HZ3 LYS A 41 34.886 0.420 -4.006 1.00 14.11 H new ATOM 448 N LEU A 42 31.071 -4.359 -0.098 1.00 51.31 N ATOM 449 CA LEU A 42 29.832 -5.068 -0.397 1.00 33.11 C ATOM 450 C LEU A 42 29.382 -4.798 -1.829 1.00 75.31 C ATOM 451 O LEU A 42 29.695 -3.765 -2.420 1.00 43.03 O ATOM 452 CB LEU A 42 28.733 -4.651 0.582 1.00 1.33 C ATOM 453 CG LEU A 42 29.045 -4.851 2.066 1.00 51.42 C ATOM 454 CD1 LEU A 42 29.425 -3.528 2.714 1.00 33.43 C ATOM 455 CD2 LEU A 42 27.856 -5.476 2.781 1.00 1.42 C ATOM 0 H LEU A 42 30.944 -3.483 0.408 1.00 51.31 H new ATOM 0 HA LEU A 42 30.019 -6.136 -0.290 1.00 33.11 H new ATOM 0 HB2 LEU A 42 28.508 -3.597 0.417 1.00 1.33 H new ATOM 0 HB3 LEU A 42 27.829 -5.211 0.343 1.00 1.33 H new ATOM 0 HG LEU A 42 29.893 -5.531 2.152 1.00 51.42 H new ATOM 0 HD11 LEU A 42 29.644 -3.689 3.770 1.00 33.43 H new ATOM 0 HD12 LEU A 42 30.306 -3.120 2.219 1.00 33.43 H new ATOM 0 HD13 LEU A 42 28.598 -2.825 2.618 1.00 33.43 H new ATOM 0 HD21 LEU A 42 28.096 -5.611 3.836 1.00 1.42 H new ATOM 0 HD22 LEU A 42 26.990 -4.821 2.687 1.00 1.42 H new ATOM 0 HD23 LEU A 42 27.630 -6.444 2.333 1.00 1.42 H new ATOM 467 N PRO A 43 28.626 -5.748 -2.401 1.00 42.21 N ATOM 468 CA PRO A 43 28.114 -5.634 -3.770 1.00 21.11 C ATOM 469 C PRO A 43 27.037 -4.562 -3.899 1.00 24.12 C ATOM 470 O PRO A 43 26.613 -4.224 -5.004 1.00 61.43 O ATOM 471 CB PRO A 43 27.524 -7.020 -4.044 1.00 45.22 C ATOM 472 CG PRO A 43 27.181 -7.559 -2.698 1.00 45.24 C ATOM 473 CD PRO A 43 28.214 -7.005 -1.755 1.00 75.23 C ATOM 0 HA PRO A 43 28.893 -5.340 -4.473 1.00 21.11 H new ATOM 0 HB2 PRO A 43 26.642 -6.956 -4.681 1.00 45.22 H new ATOM 0 HB3 PRO A 43 28.241 -7.661 -4.556 1.00 45.22 H new ATOM 0 HG2 PRO A 43 26.178 -7.255 -2.400 1.00 45.24 H new ATOM 0 HG3 PRO A 43 27.197 -8.649 -2.698 1.00 45.24 H new ATOM 0 HD2 PRO A 43 27.799 -6.830 -0.762 1.00 75.23 H new ATOM 0 HD3 PRO A 43 29.054 -7.688 -1.633 1.00 75.23 H new ATOM 481 N TYR A 44 26.600 -4.030 -2.763 1.00 72.20 N ATOM 482 CA TYR A 44 25.571 -2.997 -2.749 1.00 72.33 C ATOM 483 C TYR A 44 26.022 -1.790 -1.933 1.00 13.10 C ATOM 484 O TYR A 44 26.505 -1.932 -0.811 1.00 24.15 O ATOM 485 CB TYR A 44 24.266 -3.555 -2.178 1.00 23.15 C ATOM 486 CG TYR A 44 24.469 -4.486 -1.003 1.00 51.50 C ATOM 487 CD1 TYR A 44 24.751 -3.987 0.263 1.00 54.41 C ATOM 488 CD2 TYR A 44 24.380 -5.863 -1.159 1.00 73.21 C ATOM 489 CE1 TYR A 44 24.937 -4.833 1.339 1.00 42.21 C ATOM 490 CE2 TYR A 44 24.563 -6.717 -0.089 1.00 3.34 C ATOM 491 CZ TYR A 44 24.842 -6.197 1.158 1.00 1.22 C ATOM 492 OH TYR A 44 25.027 -7.044 2.227 1.00 41.22 O ATOM 0 H TYR A 44 26.942 -4.297 -1.840 1.00 72.20 H new ATOM 0 HA TYR A 44 25.401 -2.675 -3.776 1.00 72.33 H new ATOM 0 HB2 TYR A 44 23.631 -2.725 -1.868 1.00 23.15 H new ATOM 0 HB3 TYR A 44 23.733 -4.088 -2.965 1.00 23.15 H new ATOM 0 HD1 TYR A 44 24.826 -2.919 0.408 1.00 54.41 H new ATOM 0 HD2 TYR A 44 24.164 -6.273 -2.134 1.00 73.21 H new ATOM 0 HE1 TYR A 44 25.156 -4.429 2.316 1.00 42.21 H new ATOM 0 HE2 TYR A 44 24.488 -7.785 -0.228 1.00 3.34 H new ATOM 0 HH TYR A 44 24.978 -6.533 3.062 1.00 41.22 H new ATOM 502 N GLU A 45 25.858 -0.602 -2.506 1.00 44.34 N ATOM 503 CA GLU A 45 26.249 0.631 -1.832 1.00 54.14 C ATOM 504 C GLU A 45 25.060 1.254 -1.106 1.00 31.21 C ATOM 505 O GLU A 45 25.184 2.304 -0.475 1.00 2.31 O ATOM 506 CB GLU A 45 26.824 1.629 -2.840 1.00 24.25 C ATOM 507 CG GLU A 45 25.767 2.317 -3.687 1.00 65.31 C ATOM 508 CD GLU A 45 26.301 2.766 -5.033 1.00 40.34 C ATOM 509 OE1 GLU A 45 26.904 3.858 -5.097 1.00 54.53 O ATOM 510 OE2 GLU A 45 26.116 2.027 -6.023 1.00 1.05 O ATOM 0 H GLU A 45 25.458 -0.467 -3.434 1.00 44.34 H new ATOM 0 HA GLU A 45 27.015 0.386 -1.096 1.00 54.14 H new ATOM 0 HB2 GLU A 45 27.396 2.386 -2.303 1.00 24.25 H new ATOM 0 HB3 GLU A 45 27.521 1.108 -3.497 1.00 24.25 H new ATOM 0 HG2 GLU A 45 24.930 1.636 -3.841 1.00 65.31 H new ATOM 0 HG3 GLU A 45 25.380 3.181 -3.147 1.00 65.31 H new ATOM 517 N LEU A 46 23.908 0.599 -1.200 1.00 11.02 N ATOM 518 CA LEU A 46 22.695 1.087 -0.552 1.00 42.54 C ATOM 519 C LEU A 46 22.383 0.276 0.701 1.00 54.31 C ATOM 520 O LEU A 46 22.879 -0.837 0.871 1.00 34.35 O ATOM 521 CB LEU A 46 21.514 1.024 -1.523 1.00 24.13 C ATOM 522 CG LEU A 46 21.515 2.058 -2.649 1.00 71.22 C ATOM 523 CD1 LEU A 46 20.242 1.949 -3.474 1.00 51.20 C ATOM 524 CD2 LEU A 46 21.668 3.462 -2.084 1.00 2.41 C ATOM 0 H LEU A 46 23.788 -0.271 -1.718 1.00 11.02 H new ATOM 0 HA LEU A 46 22.861 2.124 -0.259 1.00 42.54 H new ATOM 0 HB2 LEU A 46 21.489 0.030 -1.970 1.00 24.13 H new ATOM 0 HB3 LEU A 46 20.593 1.140 -0.952 1.00 24.13 H new ATOM 0 HG LEU A 46 22.365 1.856 -3.301 1.00 71.22 H new ATOM 0 HD11 LEU A 46 20.260 2.693 -4.271 1.00 51.20 H new ATOM 0 HD12 LEU A 46 20.175 0.952 -3.909 1.00 51.20 H new ATOM 0 HD13 LEU A 46 19.377 2.124 -2.834 1.00 51.20 H new ATOM 0 HD21 LEU A 46 21.667 4.185 -2.900 1.00 2.41 H new ATOM 0 HD22 LEU A 46 20.839 3.675 -1.409 1.00 2.41 H new ATOM 0 HD23 LEU A 46 22.608 3.534 -1.537 1.00 2.41 H new ATOM 536 N SER A 47 21.555 0.841 1.574 1.00 1.42 N ATOM 537 CA SER A 47 21.177 0.171 2.813 1.00 50.30 C ATOM 538 C SER A 47 19.741 0.514 3.200 1.00 64.35 C ATOM 539 O SER A 47 19.262 1.617 2.936 1.00 21.42 O ATOM 540 CB SER A 47 22.130 0.567 3.943 1.00 75.01 C ATOM 541 OG SER A 47 21.533 0.356 5.211 1.00 74.34 O ATOM 0 H SER A 47 21.133 1.761 1.446 1.00 1.42 H new ATOM 0 HA SER A 47 21.244 -0.905 2.651 1.00 50.30 H new ATOM 0 HB2 SER A 47 23.049 -0.015 3.869 1.00 75.01 H new ATOM 0 HB3 SER A 47 22.408 1.616 3.838 1.00 75.01 H new ATOM 0 HG SER A 47 21.703 1.132 5.786 1.00 74.34 H new ATOM 547 N SER A 48 19.060 -0.440 3.826 1.00 62.51 N ATOM 548 CA SER A 48 17.678 -0.243 4.246 1.00 51.20 C ATOM 549 C SER A 48 17.575 -0.190 5.767 1.00 33.13 C ATOM 550 O SER A 48 17.612 -1.221 6.440 1.00 70.41 O ATOM 551 CB SER A 48 16.792 -1.365 3.702 1.00 52.01 C ATOM 552 OG SER A 48 15.822 -1.758 4.657 1.00 11.25 O ATOM 0 H SER A 48 19.443 -1.358 4.054 1.00 62.51 H new ATOM 0 HA SER A 48 17.334 0.709 3.842 1.00 51.20 H new ATOM 0 HB2 SER A 48 16.295 -1.031 2.791 1.00 52.01 H new ATOM 0 HB3 SER A 48 17.409 -2.222 3.433 1.00 52.01 H new ATOM 0 HG SER A 48 15.835 -2.733 4.755 1.00 11.25 H new ATOM 558 N LEU A 49 17.445 1.018 6.303 1.00 12.35 N ATOM 559 CA LEU A 49 17.336 1.208 7.746 1.00 71.42 C ATOM 560 C LEU A 49 16.083 0.530 8.291 1.00 71.20 C ATOM 561 O LEU A 49 16.012 0.192 9.473 1.00 51.12 O ATOM 562 CB LEU A 49 17.311 2.699 8.084 1.00 53.32 C ATOM 563 CG LEU A 49 18.159 3.131 9.280 1.00 24.12 C ATOM 564 CD1 LEU A 49 17.547 2.628 10.578 1.00 10.13 C ATOM 565 CD2 LEU A 49 19.587 2.626 9.131 1.00 22.32 C ATOM 0 H LEU A 49 17.412 1.881 5.761 1.00 12.35 H new ATOM 0 HA LEU A 49 18.207 0.751 8.215 1.00 71.42 H new ATOM 0 HB2 LEU A 49 17.645 3.255 7.208 1.00 53.32 H new ATOM 0 HB3 LEU A 49 16.278 2.991 8.272 1.00 53.32 H new ATOM 0 HG LEU A 49 18.181 4.220 9.311 1.00 24.12 H new ATOM 0 HD11 LEU A 49 18.164 2.945 11.418 1.00 10.13 H new ATOM 0 HD12 LEU A 49 16.543 3.038 10.690 1.00 10.13 H new ATOM 0 HD13 LEU A 49 17.494 1.539 10.557 1.00 10.13 H new ATOM 0 HD21 LEU A 49 20.177 2.943 9.991 1.00 22.32 H new ATOM 0 HD22 LEU A 49 19.584 1.537 9.074 1.00 22.32 H new ATOM 0 HD23 LEU A 49 20.025 3.036 8.221 1.00 22.32 H new ATOM 577 N ASP A 50 15.098 0.332 7.422 1.00 51.12 N ATOM 578 CA ASP A 50 13.848 -0.309 7.815 1.00 44.31 C ATOM 579 C ASP A 50 14.096 -1.739 8.285 1.00 55.20 C ATOM 580 O ASP A 50 13.327 -2.285 9.077 1.00 13.14 O ATOM 581 CB ASP A 50 12.860 -0.306 6.648 1.00 53.11 C ATOM 582 CG ASP A 50 11.450 -0.654 7.083 1.00 72.22 C ATOM 583 OD1 ASP A 50 10.795 0.202 7.713 1.00 2.11 O ATOM 584 OD2 ASP A 50 11.001 -1.783 6.794 1.00 61.45 O ATOM 0 H ASP A 50 15.141 0.606 6.440 1.00 51.12 H new ATOM 0 HA ASP A 50 13.421 0.258 8.643 1.00 44.31 H new ATOM 0 HB2 ASP A 50 12.860 0.678 6.178 1.00 53.11 H new ATOM 0 HB3 ASP A 50 13.191 -1.020 5.894 1.00 53.11 H new ATOM 589 N LEU A 51 15.172 -2.341 7.791 1.00 52.31 N ATOM 590 CA LEU A 51 15.520 -3.709 8.159 1.00 3.53 C ATOM 591 C LEU A 51 15.726 -3.831 9.666 1.00 63.13 C ATOM 592 O LEU A 51 15.664 -4.926 10.225 1.00 30.34 O ATOM 593 CB LEU A 51 16.786 -4.149 7.422 1.00 22.34 C ATOM 594 CG LEU A 51 16.777 -5.573 6.865 1.00 22.34 C ATOM 595 CD1 LEU A 51 16.236 -6.548 7.900 1.00 3.21 C ATOM 596 CD2 LEU A 51 15.956 -5.640 5.586 1.00 32.42 C ATOM 0 H LEU A 51 15.819 -1.904 7.135 1.00 52.31 H new ATOM 0 HA LEU A 51 14.694 -4.359 7.870 1.00 3.53 H new ATOM 0 HB2 LEU A 51 16.961 -3.459 6.597 1.00 22.34 H new ATOM 0 HB3 LEU A 51 17.631 -4.052 8.103 1.00 22.34 H new ATOM 0 HG LEU A 51 17.803 -5.857 6.630 1.00 22.34 H new ATOM 0 HD11 LEU A 51 16.237 -7.556 7.486 1.00 3.21 H new ATOM 0 HD12 LEU A 51 16.865 -6.521 8.790 1.00 3.21 H new ATOM 0 HD13 LEU A 51 15.217 -6.267 8.167 1.00 3.21 H new ATOM 0 HD21 LEU A 51 15.961 -6.661 5.204 1.00 32.42 H new ATOM 0 HD22 LEU A 51 14.931 -5.336 5.796 1.00 32.42 H new ATOM 0 HD23 LEU A 51 16.388 -4.972 4.841 1.00 32.42 H new ATOM 608 N THR A 52 15.970 -2.699 10.319 1.00 42.14 N ATOM 609 CA THR A 52 16.184 -2.679 11.760 1.00 2.21 C ATOM 610 C THR A 52 15.115 -1.850 12.463 1.00 5.40 C ATOM 611 O THR A 52 14.195 -1.338 11.826 1.00 53.30 O ATOM 612 CB THR A 52 17.572 -2.113 12.114 1.00 3.31 C ATOM 613 OG1 THR A 52 17.905 -1.039 11.226 1.00 33.43 O ATOM 614 CG2 THR A 52 18.637 -3.196 12.029 1.00 75.34 C ATOM 0 H THR A 52 16.024 -1.784 9.872 1.00 42.14 H new ATOM 0 HA THR A 52 16.123 -3.712 12.103 1.00 2.21 H new ATOM 0 HB THR A 52 17.537 -1.740 13.138 1.00 3.31 H new ATOM 0 HG1 THR A 52 17.085 -0.668 10.839 1.00 33.43 H new ATOM 0 HG21 THR A 52 19.608 -2.772 12.283 1.00 75.34 H new ATOM 0 HG22 THR A 52 18.397 -3.998 12.727 1.00 75.34 H new ATOM 0 HG23 THR A 52 18.670 -3.595 11.015 1.00 75.34 H new ATOM 622 N ASP A 53 15.244 -1.721 13.779 1.00 41.51 N ATOM 623 CA ASP A 53 14.289 -0.951 14.569 1.00 65.24 C ATOM 624 C ASP A 53 14.927 0.332 15.093 1.00 71.32 C ATOM 625 O ASP A 53 14.886 0.613 16.291 1.00 64.12 O ATOM 626 CB ASP A 53 13.768 -1.790 15.736 1.00 33.21 C ATOM 627 CG ASP A 53 12.394 -1.346 16.200 1.00 61.44 C ATOM 628 OD1 ASP A 53 11.468 -1.313 15.363 1.00 61.52 O ATOM 629 OD2 ASP A 53 12.245 -1.031 17.399 1.00 24.10 O ATOM 0 H ASP A 53 16.000 -2.139 14.321 1.00 41.51 H new ATOM 0 HA ASP A 53 13.453 -0.682 13.923 1.00 65.24 H new ATOM 0 HB2 ASP A 53 13.726 -2.837 15.437 1.00 33.21 H new ATOM 0 HB3 ASP A 53 14.468 -1.724 16.569 1.00 33.21 H new ATOM 634 N PHE A 54 15.516 1.106 14.188 1.00 43.21 N ATOM 635 CA PHE A 54 16.165 2.359 14.559 1.00 35.51 C ATOM 636 C PHE A 54 15.477 3.546 13.891 1.00 63.32 C ATOM 637 O PHE A 54 14.457 3.389 13.219 1.00 42.41 O ATOM 638 CB PHE A 54 17.644 2.326 14.171 1.00 41.34 C ATOM 639 CG PHE A 54 18.386 1.147 14.731 1.00 34.34 C ATOM 640 CD1 PHE A 54 18.519 0.983 16.101 1.00 64.13 C ATOM 641 CD2 PHE A 54 18.949 0.202 13.889 1.00 25.12 C ATOM 642 CE1 PHE A 54 19.201 -0.102 16.620 1.00 12.32 C ATOM 643 CE2 PHE A 54 19.632 -0.885 14.403 1.00 54.21 C ATOM 644 CZ PHE A 54 19.759 -1.036 15.770 1.00 75.21 C ATOM 0 H PHE A 54 15.558 0.888 13.192 1.00 43.21 H new ATOM 0 HA PHE A 54 16.083 2.476 15.640 1.00 35.51 H new ATOM 0 HB2 PHE A 54 17.726 2.313 13.084 1.00 41.34 H new ATOM 0 HB3 PHE A 54 18.122 3.243 14.516 1.00 41.34 H new ATOM 0 HD1 PHE A 54 18.085 1.711 16.771 1.00 64.13 H new ATOM 0 HD2 PHE A 54 18.853 0.315 12.819 1.00 25.12 H new ATOM 0 HE1 PHE A 54 19.297 -0.219 17.689 1.00 12.32 H new ATOM 0 HE2 PHE A 54 20.066 -1.615 13.736 1.00 54.21 H new ATOM 0 HZ PHE A 54 20.294 -1.883 16.173 1.00 75.21 H new ATOM 654 N HIS A 55 16.043 4.733 14.081 1.00 44.33 N ATOM 655 CA HIS A 55 15.486 5.948 13.497 1.00 50.14 C ATOM 656 C HIS A 55 16.465 6.574 12.508 1.00 51.31 C ATOM 657 O HIS A 55 16.078 7.378 11.659 1.00 41.11 O ATOM 658 CB HIS A 55 15.138 6.954 14.594 1.00 3.04 C ATOM 659 CG HIS A 55 13.686 6.962 14.962 1.00 63.14 C ATOM 660 ND1 HIS A 55 13.153 6.150 15.940 1.00 1.04 N ATOM 661 CD2 HIS A 55 12.654 7.691 14.476 1.00 63.30 C ATOM 662 CE1 HIS A 55 11.856 6.378 16.040 1.00 73.23 C ATOM 663 NE2 HIS A 55 11.528 7.309 15.162 1.00 13.02 N ATOM 0 H HIS A 55 16.887 4.880 14.635 1.00 44.33 H new ATOM 0 HA HIS A 55 14.576 5.679 12.960 1.00 50.14 H new ATOM 0 HB2 HIS A 55 15.728 6.729 15.482 1.00 3.04 H new ATOM 0 HB3 HIS A 55 15.426 7.952 14.265 1.00 3.04 H new ATOM 0 HD2 HIS A 55 12.707 8.434 13.694 1.00 63.30 H new ATOM 0 HE1 HIS A 55 11.179 5.887 16.723 1.00 73.23 H new ATOM 0 HE2 HIS A 55 10.590 7.683 15.017 1.00 13.02 H new ATOM 671 N THR A 56 17.736 6.201 12.624 1.00 53.40 N ATOM 672 CA THR A 56 18.770 6.727 11.742 1.00 1.54 C ATOM 673 C THR A 56 19.859 5.691 11.493 1.00 63.43 C ATOM 674 O THR A 56 19.700 4.518 11.828 1.00 22.45 O ATOM 675 CB THR A 56 19.413 8.000 12.327 1.00 74.33 C ATOM 676 OG1 THR A 56 20.320 7.652 13.379 1.00 72.45 O ATOM 677 CG2 THR A 56 18.349 8.947 12.861 1.00 73.15 C ATOM 0 H THR A 56 18.074 5.537 13.320 1.00 53.40 H new ATOM 0 HA THR A 56 18.284 6.974 10.798 1.00 1.54 H new ATOM 0 HB THR A 56 19.959 8.504 11.529 1.00 74.33 H new ATOM 0 HG1 THR A 56 19.885 7.793 14.246 1.00 72.45 H new ATOM 0 HG21 THR A 56 18.826 9.838 13.269 1.00 73.15 H new ATOM 0 HG22 THR A 56 17.677 9.233 12.052 1.00 73.15 H new ATOM 0 HG23 THR A 56 17.780 8.449 13.646 1.00 73.15 H new ATOM 685 N GLU A 57 20.966 6.132 10.902 1.00 33.42 N ATOM 686 CA GLU A 57 22.081 5.240 10.608 1.00 22.30 C ATOM 687 C GLU A 57 23.001 5.102 11.818 1.00 44.24 C ATOM 688 O GLU A 57 23.458 4.006 12.144 1.00 51.23 O ATOM 689 CB GLU A 57 22.874 5.758 9.406 1.00 22.14 C ATOM 690 CG GLU A 57 21.999 6.222 8.254 1.00 63.41 C ATOM 691 CD GLU A 57 22.806 6.769 7.093 1.00 41.23 C ATOM 692 OE1 GLU A 57 24.029 6.520 7.051 1.00 62.10 O ATOM 693 OE2 GLU A 57 22.215 7.447 6.226 1.00 22.03 O ATOM 0 H GLU A 57 21.114 7.100 10.618 1.00 33.42 H new ATOM 0 HA GLU A 57 21.674 4.257 10.369 1.00 22.30 H new ATOM 0 HB2 GLU A 57 23.506 6.586 9.728 1.00 22.14 H new ATOM 0 HB3 GLU A 57 23.538 4.969 9.052 1.00 22.14 H new ATOM 0 HG2 GLU A 57 21.389 5.388 7.907 1.00 63.41 H new ATOM 0 HG3 GLU A 57 21.314 6.991 8.610 1.00 63.41 H new ATOM 700 N LYS A 58 23.270 6.223 12.479 1.00 24.43 N ATOM 701 CA LYS A 58 24.135 6.230 13.653 1.00 21.42 C ATOM 702 C LYS A 58 23.653 5.221 14.690 1.00 34.54 C ATOM 703 O LYS A 58 24.454 4.624 15.408 1.00 65.52 O ATOM 704 CB LYS A 58 24.180 7.629 14.270 1.00 4.24 C ATOM 705 CG LYS A 58 22.972 7.954 15.131 1.00 31.34 C ATOM 706 CD LYS A 58 22.682 9.445 15.146 1.00 2.33 C ATOM 707 CE LYS A 58 21.514 9.777 16.062 1.00 75.15 C ATOM 708 NZ LYS A 58 21.413 11.239 16.325 1.00 54.24 N ATOM 0 H LYS A 58 22.901 7.139 12.222 1.00 24.43 H new ATOM 0 HA LYS A 58 25.139 5.947 13.336 1.00 21.42 H new ATOM 0 HB2 LYS A 58 25.082 7.721 14.875 1.00 4.24 H new ATOM 0 HB3 LYS A 58 24.255 8.367 13.471 1.00 4.24 H new ATOM 0 HG2 LYS A 58 22.101 7.417 14.755 1.00 31.34 H new ATOM 0 HG3 LYS A 58 23.146 7.606 16.149 1.00 31.34 H new ATOM 0 HD2 LYS A 58 23.569 9.986 15.475 1.00 2.33 H new ATOM 0 HD3 LYS A 58 22.460 9.784 14.134 1.00 2.33 H new ATOM 0 HE2 LYS A 58 20.587 9.424 15.610 1.00 75.15 H new ATOM 0 HE3 LYS A 58 21.631 9.245 17.006 1.00 75.15 H new ATOM 0 HZ1 LYS A 58 20.605 11.424 16.953 1.00 54.24 H new ATOM 0 HZ2 LYS A 58 22.288 11.571 16.779 1.00 54.24 H new ATOM 0 HZ3 LYS A 58 21.276 11.745 15.427 1.00 54.24 H new ATOM 722 N GLU A 59 22.338 5.035 14.762 1.00 22.13 N ATOM 723 CA GLU A 59 21.751 4.097 15.712 1.00 54.13 C ATOM 724 C GLU A 59 22.193 2.668 15.410 1.00 4.30 C ATOM 725 O GLU A 59 22.602 1.930 16.307 1.00 2.25 O ATOM 726 CB GLU A 59 20.224 4.188 15.674 1.00 13.21 C ATOM 727 CG GLU A 59 19.633 4.985 16.825 1.00 50.52 C ATOM 728 CD GLU A 59 19.018 4.101 17.892 1.00 2.12 C ATOM 729 OE1 GLU A 59 19.691 3.144 18.329 1.00 64.03 O ATOM 730 OE2 GLU A 59 17.865 4.366 18.291 1.00 71.42 O ATOM 0 H GLU A 59 21.660 5.521 14.175 1.00 22.13 H new ATOM 0 HA GLU A 59 22.100 4.364 16.710 1.00 54.13 H new ATOM 0 HB2 GLU A 59 19.919 4.645 14.732 1.00 13.21 H new ATOM 0 HB3 GLU A 59 19.808 3.181 15.689 1.00 13.21 H new ATOM 0 HG2 GLU A 59 20.413 5.601 17.274 1.00 50.52 H new ATOM 0 HG3 GLU A 59 18.873 5.664 16.439 1.00 50.52 H new ATOM 737 N LEU A 60 22.109 2.285 14.141 1.00 34.41 N ATOM 738 CA LEU A 60 22.500 0.944 13.719 1.00 33.13 C ATOM 739 C LEU A 60 23.991 0.716 13.944 1.00 30.44 C ATOM 740 O LEU A 60 24.396 -0.309 14.492 1.00 3.40 O ATOM 741 CB LEU A 60 22.157 0.732 12.244 1.00 73.32 C ATOM 742 CG LEU A 60 22.107 -0.721 11.768 1.00 4.23 C ATOM 743 CD1 LEU A 60 21.242 -0.846 10.524 1.00 20.01 C ATOM 744 CD2 LEU A 60 23.512 -1.241 11.498 1.00 35.53 C ATOM 0 H LEU A 60 21.774 2.884 13.386 1.00 34.41 H new ATOM 0 HA LEU A 60 21.946 0.224 14.321 1.00 33.13 H new ATOM 0 HB2 LEU A 60 21.188 1.191 12.047 1.00 73.32 H new ATOM 0 HB3 LEU A 60 22.891 1.266 11.641 1.00 73.32 H new ATOM 0 HG LEU A 60 21.661 -1.327 12.557 1.00 4.23 H new ATOM 0 HD11 LEU A 60 21.218 -1.887 10.200 1.00 20.01 H new ATOM 0 HD12 LEU A 60 20.229 -0.513 10.750 1.00 20.01 H new ATOM 0 HD13 LEU A 60 21.658 -0.228 9.728 1.00 20.01 H new ATOM 0 HD21 LEU A 60 23.458 -2.276 11.160 1.00 35.53 H new ATOM 0 HD22 LEU A 60 23.984 -0.632 10.727 1.00 35.53 H new ATOM 0 HD23 LEU A 60 24.102 -1.188 12.413 1.00 35.53 H new ATOM 756 N ASN A 61 24.803 1.679 13.520 1.00 75.34 N ATOM 757 CA ASN A 61 26.249 1.583 13.676 1.00 3.44 C ATOM 758 C ASN A 61 26.645 1.688 15.146 1.00 3.11 C ATOM 759 O ASN A 61 27.724 1.245 15.542 1.00 14.11 O ATOM 760 CB ASN A 61 26.944 2.682 12.870 1.00 41.41 C ATOM 761 CG ASN A 61 27.829 2.123 11.772 1.00 34.25 C ATOM 762 OD1 ASN A 61 28.959 2.572 11.581 1.00 32.24 O ATOM 763 ND2 ASN A 61 27.316 1.137 11.045 1.00 42.22 N ATOM 0 H ASN A 61 24.484 2.535 13.066 1.00 75.34 H new ATOM 0 HA ASN A 61 26.566 0.610 13.300 1.00 3.44 H new ATOM 0 HB2 ASN A 61 26.192 3.336 12.429 1.00 41.41 H new ATOM 0 HB3 ASN A 61 27.546 3.295 13.541 1.00 41.41 H new ATOM 0 HD21 ASN A 61 27.864 0.720 10.292 1.00 42.22 H new ATOM 0 HD22 ASN A 61 26.374 0.797 11.239 1.00 42.22 H new ATOM 770 N ASP A 62 25.766 2.276 15.949 1.00 11.24 N ATOM 771 CA ASP A 62 26.022 2.438 17.376 1.00 62.11 C ATOM 772 C ASP A 62 25.843 1.115 18.114 1.00 62.34 C ATOM 773 O ASP A 62 26.698 0.710 18.902 1.00 41.20 O ATOM 774 CB ASP A 62 25.089 3.496 17.967 1.00 71.22 C ATOM 775 CG ASP A 62 25.687 4.888 17.918 1.00 70.03 C ATOM 776 OD1 ASP A 62 26.493 5.155 17.002 1.00 21.13 O ATOM 777 OD2 ASP A 62 25.350 5.710 18.795 1.00 15.41 O ATOM 0 H ASP A 62 24.869 2.649 15.637 1.00 11.24 H new ATOM 0 HA ASP A 62 27.054 2.766 17.499 1.00 62.11 H new ATOM 0 HB2 ASP A 62 24.145 3.490 17.421 1.00 71.22 H new ATOM 0 HB3 ASP A 62 24.861 3.238 19.001 1.00 71.22 H new ATOM 782 N LYS A 63 24.726 0.444 17.853 1.00 11.53 N ATOM 783 CA LYS A 63 24.433 -0.833 18.491 1.00 22.44 C ATOM 784 C LYS A 63 25.547 -1.842 18.226 1.00 54.31 C ATOM 785 O LYS A 63 25.799 -2.732 19.039 1.00 1.33 O ATOM 786 CB LYS A 63 23.099 -1.386 17.985 1.00 11.02 C ATOM 787 CG LYS A 63 22.760 -2.759 18.539 1.00 32.01 C ATOM 788 CD LYS A 63 22.284 -3.700 17.445 1.00 45.13 C ATOM 789 CE LYS A 63 23.347 -3.890 16.373 1.00 31.31 C ATOM 790 NZ LYS A 63 22.969 -3.228 15.094 1.00 63.22 N ATOM 0 H LYS A 63 24.008 0.764 17.203 1.00 11.53 H new ATOM 0 HA LYS A 63 24.365 -0.666 19.566 1.00 22.44 H new ATOM 0 HB2 LYS A 63 22.303 -0.690 18.250 1.00 11.02 H new ATOM 0 HB3 LYS A 63 23.127 -1.439 16.897 1.00 11.02 H new ATOM 0 HG2 LYS A 63 23.638 -3.182 19.028 1.00 32.01 H new ATOM 0 HG3 LYS A 63 21.986 -2.664 19.301 1.00 32.01 H new ATOM 0 HD2 LYS A 63 22.028 -4.666 17.880 1.00 45.13 H new ATOM 0 HD3 LYS A 63 21.375 -3.303 16.992 1.00 45.13 H new ATOM 0 HE2 LYS A 63 24.295 -3.484 16.726 1.00 31.31 H new ATOM 0 HE3 LYS A 63 23.501 -4.955 16.199 1.00 31.31 H new ATOM 0 HZ1 LYS A 63 23.341 -3.779 14.295 1.00 63.22 H new ATOM 0 HZ2 LYS A 63 21.933 -3.174 15.024 1.00 63.22 H new ATOM 0 HZ3 LYS A 63 23.368 -2.268 15.069 1.00 63.22 H new ATOM 804 N LEU A 64 26.210 -1.696 17.084 1.00 23.25 N ATOM 805 CA LEU A 64 27.299 -2.594 16.713 1.00 54.35 C ATOM 806 C LEU A 64 28.299 -2.739 17.855 1.00 42.24 C ATOM 807 O LEU A 64 28.715 -3.847 18.192 1.00 53.53 O ATOM 808 CB LEU A 64 28.008 -2.075 15.460 1.00 21.34 C ATOM 809 CG LEU A 64 27.363 -2.441 14.123 1.00 30.33 C ATOM 810 CD1 LEU A 64 28.183 -3.504 13.408 1.00 42.51 C ATOM 811 CD2 LEU A 64 25.934 -2.920 14.334 1.00 61.40 C ATOM 0 H LEU A 64 26.013 -0.966 16.400 1.00 23.25 H new ATOM 0 HA LEU A 64 26.873 -3.575 16.503 1.00 54.35 H new ATOM 0 HB2 LEU A 64 28.069 -0.989 15.525 1.00 21.34 H new ATOM 0 HB3 LEU A 64 29.030 -2.453 15.463 1.00 21.34 H new ATOM 0 HG LEU A 64 27.338 -1.549 13.497 1.00 30.33 H new ATOM 0 HD11 LEU A 64 27.709 -3.752 12.458 1.00 42.51 H new ATOM 0 HD12 LEU A 64 29.188 -3.125 13.223 1.00 42.51 H new ATOM 0 HD13 LEU A 64 28.241 -4.398 14.029 1.00 42.51 H new ATOM 0 HD21 LEU A 64 25.490 -3.176 13.372 1.00 61.40 H new ATOM 0 HD22 LEU A 64 25.936 -3.799 14.978 1.00 61.40 H new ATOM 0 HD23 LEU A 64 25.350 -2.128 14.803 1.00 61.40 H new ATOM 823 N ASN A 65 28.680 -1.612 18.447 1.00 3.14 N ATOM 824 CA ASN A 65 29.631 -1.614 19.553 1.00 0.33 C ATOM 825 C ASN A 65 29.156 -2.529 20.678 1.00 70.25 C ATOM 826 O ASN A 65 29.963 -3.157 21.364 1.00 52.14 O ATOM 827 CB ASN A 65 29.828 -0.193 20.086 1.00 21.11 C ATOM 828 CG ASN A 65 31.061 0.475 19.508 1.00 12.24 C ATOM 829 OD1 ASN A 65 31.954 0.897 20.243 1.00 20.33 O ATOM 830 ND2 ASN A 65 31.114 0.575 18.185 1.00 2.23 N ATOM 0 H ASN A 65 28.345 -0.686 18.180 1.00 3.14 H new ATOM 0 HA ASN A 65 30.583 -1.991 19.180 1.00 0.33 H new ATOM 0 HB2 ASN A 65 28.949 0.406 19.849 1.00 21.11 H new ATOM 0 HB3 ASN A 65 29.910 -0.223 21.172 1.00 21.11 H new ATOM 0 HD21 ASN A 65 31.918 1.016 17.739 1.00 2.23 H new ATOM 0 HD22 ASN A 65 30.350 0.211 17.615 1.00 2.23 H new ATOM 837 N ASP A 66 27.842 -2.600 20.860 1.00 60.23 N ATOM 838 CA ASP A 66 27.259 -3.440 21.899 1.00 34.04 C ATOM 839 C ASP A 66 27.606 -4.908 21.671 1.00 50.31 C ATOM 840 O ASP A 66 28.121 -5.580 22.564 1.00 24.42 O ATOM 841 CB ASP A 66 25.740 -3.262 21.936 1.00 71.22 C ATOM 842 CG ASP A 66 25.171 -3.431 23.331 1.00 74.02 C ATOM 843 OD1 ASP A 66 25.311 -2.495 24.146 1.00 73.35 O ATOM 844 OD2 ASP A 66 24.586 -4.499 23.608 1.00 74.20 O ATOM 0 H ASP A 66 27.161 -2.086 20.301 1.00 60.23 H new ATOM 0 HA ASP A 66 27.677 -3.132 22.857 1.00 34.04 H new ATOM 0 HB2 ASP A 66 25.484 -2.272 21.560 1.00 71.22 H new ATOM 0 HB3 ASP A 66 25.276 -3.987 21.267 1.00 71.22 H new ATOM 849 N TYR A 67 27.320 -5.398 20.470 1.00 35.12 N ATOM 850 CA TYR A 67 27.598 -6.787 20.125 1.00 23.14 C ATOM 851 C TYR A 67 29.101 -7.032 20.024 1.00 73.22 C ATOM 852 O TYR A 67 29.578 -8.141 20.267 1.00 3.43 O ATOM 853 CB TYR A 67 26.920 -7.152 18.804 1.00 62.51 C ATOM 854 CG TYR A 67 27.884 -7.290 17.647 1.00 74.33 C ATOM 855 CD1 TYR A 67 28.585 -8.471 17.438 1.00 62.12 C ATOM 856 CD2 TYR A 67 28.091 -6.239 16.762 1.00 64.54 C ATOM 857 CE1 TYR A 67 29.467 -8.601 16.382 1.00 11.14 C ATOM 858 CE2 TYR A 67 28.970 -6.361 15.702 1.00 1.14 C ATOM 859 CZ TYR A 67 29.656 -7.543 15.517 1.00 32.24 C ATOM 860 OH TYR A 67 30.532 -7.669 14.464 1.00 62.10 O ATOM 0 H TYR A 67 26.896 -4.854 19.719 1.00 35.12 H new ATOM 0 HA TYR A 67 27.197 -7.419 20.917 1.00 23.14 H new ATOM 0 HB2 TYR A 67 26.380 -8.090 18.930 1.00 62.51 H new ATOM 0 HB3 TYR A 67 26.181 -6.388 18.561 1.00 62.51 H new ATOM 0 HD1 TYR A 67 28.438 -9.302 18.112 1.00 62.12 H new ATOM 0 HD2 TYR A 67 27.556 -5.311 16.905 1.00 64.54 H new ATOM 0 HE1 TYR A 67 30.005 -9.526 16.235 1.00 11.14 H new ATOM 0 HE2 TYR A 67 29.119 -5.535 15.022 1.00 1.14 H new ATOM 0 HH TYR A 67 30.953 -6.803 14.283 1.00 62.10 H new ATOM 870 N TYR A 68 29.840 -5.990 19.663 1.00 3.51 N ATOM 871 CA TYR A 68 31.289 -6.090 19.527 1.00 35.11 C ATOM 872 C TYR A 68 31.905 -6.766 20.748 1.00 12.34 C ATOM 873 O TYR A 68 32.829 -7.569 20.627 1.00 73.41 O ATOM 874 CB TYR A 68 31.901 -4.702 19.335 1.00 44.03 C ATOM 875 CG TYR A 68 32.337 -4.424 17.914 1.00 51.13 C ATOM 876 CD1 TYR A 68 33.469 -5.029 17.382 1.00 22.25 C ATOM 877 CD2 TYR A 68 31.617 -3.556 17.103 1.00 51.53 C ATOM 878 CE1 TYR A 68 33.871 -4.778 16.085 1.00 44.21 C ATOM 879 CE2 TYR A 68 32.011 -3.299 15.804 1.00 72.43 C ATOM 880 CZ TYR A 68 33.139 -3.913 15.299 1.00 13.44 C ATOM 881 OH TYR A 68 33.535 -3.659 14.006 1.00 1.14 O ATOM 0 H TYR A 68 29.460 -5.066 19.459 1.00 3.51 H new ATOM 0 HA TYR A 68 31.505 -6.699 18.649 1.00 35.11 H new ATOM 0 HB2 TYR A 68 31.174 -3.948 19.637 1.00 44.03 H new ATOM 0 HB3 TYR A 68 32.761 -4.598 19.997 1.00 44.03 H new ATOM 0 HD1 TYR A 68 34.045 -5.708 17.994 1.00 22.25 H new ATOM 0 HD2 TYR A 68 30.734 -3.074 17.495 1.00 51.53 H new ATOM 0 HE1 TYR A 68 34.754 -5.257 15.688 1.00 44.21 H new ATOM 0 HE2 TYR A 68 31.439 -2.621 15.187 1.00 72.43 H new ATOM 0 HH TYR A 68 32.910 -3.029 13.590 1.00 1.14 H new ATOM 891 N ALA A 69 31.385 -6.433 21.925 1.00 21.15 N ATOM 892 CA ALA A 69 31.881 -7.009 23.169 1.00 1.55 C ATOM 893 C ALA A 69 31.859 -8.532 23.117 1.00 71.43 C ATOM 894 O ALA A 69 32.680 -9.198 23.749 1.00 1.22 O ATOM 895 CB ALA A 69 31.059 -6.507 24.348 1.00 71.35 C ATOM 0 H ALA A 69 30.621 -5.768 22.043 1.00 21.15 H new ATOM 0 HA ALA A 69 32.916 -6.692 23.300 1.00 1.55 H new ATOM 0 HB1 ALA A 69 31.440 -6.945 25.270 1.00 71.35 H new ATOM 0 HB2 ALA A 69 31.131 -5.421 24.405 1.00 71.35 H new ATOM 0 HB3 ALA A 69 30.016 -6.795 24.214 1.00 71.35 H new ATOM 901 N LEU A 70 30.914 -9.080 22.360 1.00 43.42 N ATOM 902 CA LEU A 70 30.785 -10.526 22.225 1.00 73.41 C ATOM 903 C LEU A 70 32.035 -11.129 21.592 1.00 40.40 C ATOM 904 O LEU A 70 32.250 -12.340 21.646 1.00 1.42 O ATOM 905 CB LEU A 70 29.556 -10.872 21.382 1.00 13.21 C ATOM 906 CG LEU A 70 29.251 -12.361 21.219 1.00 72.22 C ATOM 907 CD1 LEU A 70 27.815 -12.660 21.622 1.00 2.55 C ATOM 908 CD2 LEU A 70 29.507 -12.804 19.786 1.00 73.04 C ATOM 0 H LEU A 70 30.226 -8.544 21.831 1.00 43.42 H new ATOM 0 HA LEU A 70 30.665 -10.949 23.222 1.00 73.41 H new ATOM 0 HB2 LEU A 70 28.686 -10.390 21.829 1.00 13.21 H new ATOM 0 HB3 LEU A 70 29.686 -10.438 20.391 1.00 13.21 H new ATOM 0 HG LEU A 70 29.915 -12.922 21.876 1.00 72.22 H new ATOM 0 HD11 LEU A 70 27.617 -13.725 21.499 1.00 2.55 H new ATOM 0 HD12 LEU A 70 27.664 -12.381 22.665 1.00 2.55 H new ATOM 0 HD13 LEU A 70 27.134 -12.089 20.991 1.00 2.55 H new ATOM 0 HD21 LEU A 70 29.285 -13.867 19.688 1.00 73.04 H new ATOM 0 HD22 LEU A 70 28.868 -12.236 19.110 1.00 73.04 H new ATOM 0 HD23 LEU A 70 30.552 -12.627 19.532 1.00 73.04 H new ATOM 920 N LYS A 71 32.859 -10.275 20.993 1.00 14.24 N ATOM 921 CA LYS A 71 34.090 -10.720 20.353 1.00 62.53 C ATOM 922 C LYS A 71 34.870 -11.660 21.267 1.00 72.31 C ATOM 923 O LYS A 71 35.539 -12.583 20.800 1.00 11.14 O ATOM 924 CB LYS A 71 34.959 -9.518 19.980 1.00 44.54 C ATOM 925 CG LYS A 71 35.480 -8.747 21.181 1.00 60.33 C ATOM 926 CD LYS A 71 36.431 -7.638 20.763 1.00 70.44 C ATOM 927 CE LYS A 71 35.689 -6.337 20.500 1.00 34.00 C ATOM 928 NZ LYS A 71 35.352 -5.626 21.764 1.00 10.33 N ATOM 0 H LYS A 71 32.695 -9.270 20.938 1.00 14.24 H new ATOM 0 HA LYS A 71 33.822 -11.262 19.446 1.00 62.53 H new ATOM 0 HB2 LYS A 71 35.805 -9.863 19.385 1.00 44.54 H new ATOM 0 HB3 LYS A 71 34.380 -8.843 19.349 1.00 44.54 H new ATOM 0 HG2 LYS A 71 34.642 -8.320 21.732 1.00 60.33 H new ATOM 0 HG3 LYS A 71 35.992 -9.430 21.859 1.00 60.33 H new ATOM 0 HD2 LYS A 71 37.175 -7.482 21.544 1.00 70.44 H new ATOM 0 HD3 LYS A 71 36.970 -7.939 19.865 1.00 70.44 H new ATOM 0 HE2 LYS A 71 36.301 -5.690 19.872 1.00 34.00 H new ATOM 0 HE3 LYS A 71 34.774 -6.546 19.946 1.00 34.00 H new ATOM 0 HZ1 LYS A 71 34.746 -4.808 21.551 1.00 10.33 H new ATOM 0 HZ2 LYS A 71 34.848 -6.274 22.403 1.00 10.33 H new ATOM 0 HZ3 LYS A 71 36.227 -5.299 22.222 1.00 10.33 H new ATOM 942 N HIS A 72 34.778 -11.421 22.571 1.00 11.03 N ATOM 943 CA HIS A 72 35.473 -12.248 23.551 1.00 3.01 C ATOM 944 C HIS A 72 35.178 -13.727 23.321 1.00 34.04 C ATOM 945 O HIS A 72 36.049 -14.579 23.496 1.00 34.31 O ATOM 946 CB HIS A 72 35.064 -11.848 24.969 1.00 25.31 C ATOM 947 CG HIS A 72 36.187 -11.273 25.776 1.00 1.15 C ATOM 948 ND1 HIS A 72 37.308 -11.995 26.128 1.00 43.41 N ATOM 949 CD2 HIS A 72 36.358 -10.037 26.300 1.00 12.43 C ATOM 950 CE1 HIS A 72 38.119 -11.228 26.834 1.00 3.44 C ATOM 951 NE2 HIS A 72 37.566 -10.034 26.953 1.00 70.10 N ATOM 0 H HIS A 72 34.229 -10.661 22.974 1.00 11.03 H new ATOM 0 HA HIS A 72 36.544 -12.087 23.431 1.00 3.01 H new ATOM 0 HB2 HIS A 72 34.257 -11.118 24.913 1.00 25.31 H new ATOM 0 HB3 HIS A 72 34.668 -12.723 25.485 1.00 25.31 H new ATOM 0 HD2 HIS A 72 35.672 -9.207 26.220 1.00 12.43 H new ATOM 0 HE1 HIS A 72 39.072 -11.526 27.244 1.00 3.44 H new ATOM 0 HE2 HIS A 72 37.970 -9.240 27.449 1.00 70.10 H new ATOM 959 N VAL A 73 33.943 -14.025 22.930 1.00 52.25 N ATOM 960 CA VAL A 73 33.532 -15.401 22.676 1.00 41.43 C ATOM 961 C VAL A 73 33.568 -15.719 21.185 1.00 11.41 C ATOM 962 O VAL A 73 32.705 -15.297 20.414 1.00 23.32 O ATOM 963 CB VAL A 73 32.114 -15.671 23.213 1.00 24.43 C ATOM 964 CG1 VAL A 73 31.646 -17.061 22.808 1.00 53.50 C ATOM 965 CG2 VAL A 73 32.078 -15.508 24.725 1.00 1.43 C ATOM 0 H VAL A 73 33.209 -13.332 22.782 1.00 52.25 H new ATOM 0 HA VAL A 73 34.239 -16.045 23.199 1.00 41.43 H new ATOM 0 HB VAL A 73 31.433 -14.942 22.775 1.00 24.43 H new ATOM 0 HG11 VAL A 73 30.642 -17.234 23.196 1.00 53.50 H new ATOM 0 HG12 VAL A 73 31.633 -17.138 21.721 1.00 53.50 H new ATOM 0 HG13 VAL A 73 32.327 -17.808 23.217 1.00 53.50 H new ATOM 0 HG21 VAL A 73 31.069 -15.702 25.088 1.00 1.43 H new ATOM 0 HG22 VAL A 73 32.771 -16.214 25.184 1.00 1.43 H new ATOM 0 HG23 VAL A 73 32.369 -14.491 24.988 1.00 1.43 H new ATOM 975 N PRO A 74 34.589 -16.481 20.767 1.00 3.12 N ATOM 976 CA PRO A 74 34.762 -16.874 19.366 1.00 50.15 C ATOM 977 C PRO A 74 33.703 -17.871 18.908 1.00 13.13 C ATOM 978 O PRO A 74 33.390 -17.960 17.721 1.00 63.13 O ATOM 979 CB PRO A 74 36.149 -17.521 19.347 1.00 70.21 C ATOM 980 CG PRO A 74 36.361 -18.003 20.741 1.00 40.43 C ATOM 981 CD PRO A 74 35.654 -17.018 21.631 1.00 60.41 C ATOM 0 HA PRO A 74 34.664 -16.025 18.690 1.00 50.15 H new ATOM 0 HB2 PRO A 74 36.193 -18.343 18.633 1.00 70.21 H new ATOM 0 HB3 PRO A 74 36.916 -16.804 19.055 1.00 70.21 H new ATOM 0 HG2 PRO A 74 35.958 -19.007 20.872 1.00 40.43 H new ATOM 0 HG3 PRO A 74 37.423 -18.052 20.980 1.00 40.43 H new ATOM 0 HD2 PRO A 74 35.246 -17.500 22.519 1.00 60.41 H new ATOM 0 HD3 PRO A 74 36.327 -16.232 21.975 1.00 60.41 H new ATOM 989 N LYS A 75 33.152 -18.619 19.858 1.00 22.41 N ATOM 990 CA LYS A 75 32.126 -19.610 19.554 1.00 11.50 C ATOM 991 C LYS A 75 30.951 -18.969 18.822 1.00 44.44 C ATOM 992 O LYS A 75 30.397 -19.550 17.888 1.00 13.34 O ATOM 993 CB LYS A 75 31.635 -20.277 20.841 1.00 63.44 C ATOM 994 CG LYS A 75 32.721 -21.034 21.586 1.00 44.05 C ATOM 995 CD LYS A 75 33.300 -22.156 20.740 1.00 73.03 C ATOM 996 CE LYS A 75 34.697 -21.817 20.243 1.00 12.44 C ATOM 997 NZ LYS A 75 35.237 -22.872 19.343 1.00 62.23 N ATOM 0 H LYS A 75 33.399 -18.558 20.846 1.00 22.41 H new ATOM 0 HA LYS A 75 32.568 -20.366 18.905 1.00 11.50 H new ATOM 0 HB2 LYS A 75 31.218 -19.515 21.499 1.00 63.44 H new ATOM 0 HB3 LYS A 75 30.826 -20.965 20.598 1.00 63.44 H new ATOM 0 HG2 LYS A 75 33.516 -20.345 21.871 1.00 44.05 H new ATOM 0 HG3 LYS A 75 32.311 -21.447 22.508 1.00 44.05 H new ATOM 0 HD2 LYS A 75 33.334 -23.074 21.326 1.00 73.03 H new ATOM 0 HD3 LYS A 75 32.646 -22.346 19.889 1.00 73.03 H new ATOM 0 HE2 LYS A 75 34.673 -20.865 19.713 1.00 12.44 H new ATOM 0 HE3 LYS A 75 35.365 -21.690 21.095 1.00 12.44 H new ATOM 0 HZ1 LYS A 75 36.190 -22.603 19.026 1.00 62.23 H new ATOM 0 HZ2 LYS A 75 35.284 -23.775 19.856 1.00 62.23 H new ATOM 0 HZ3 LYS A 75 34.614 -22.976 18.517 1.00 62.23 H new ATOM 1011 N CYS A 76 30.578 -17.767 19.249 1.00 32.34 N ATOM 1012 CA CYS A 76 29.470 -17.046 18.634 1.00 21.31 C ATOM 1013 C CYS A 76 29.983 -15.929 17.730 1.00 4.15 C ATOM 1014 O CYS A 76 29.385 -15.627 16.698 1.00 34.31 O ATOM 1015 CB CYS A 76 28.552 -16.465 19.711 1.00 73.01 C ATOM 1016 SG CYS A 76 26.784 -16.818 19.450 1.00 53.23 S ATOM 0 H CYS A 76 31.027 -17.272 20.019 1.00 32.34 H new ATOM 0 HA CYS A 76 28.904 -17.751 18.025 1.00 21.31 H new ATOM 0 HB2 CYS A 76 28.851 -16.862 20.681 1.00 73.01 H new ATOM 0 HB3 CYS A 76 28.694 -15.385 19.750 1.00 73.01 H new ATOM 1021 N TRP A 77 31.095 -15.319 18.126 1.00 31.44 N ATOM 1022 CA TRP A 77 31.689 -14.235 17.352 1.00 22.43 C ATOM 1023 C TRP A 77 31.937 -14.668 15.911 1.00 2.14 C ATOM 1024 O TRP A 77 31.532 -13.986 14.971 1.00 50.13 O ATOM 1025 CB TRP A 77 33.001 -13.782 17.995 1.00 62.22 C ATOM 1026 CG TRP A 77 33.945 -13.137 17.026 1.00 41.40 C ATOM 1027 CD1 TRP A 77 35.228 -13.518 16.753 1.00 33.43 C ATOM 1028 CD2 TRP A 77 33.681 -11.995 16.204 1.00 52.24 C ATOM 1029 NE1 TRP A 77 35.777 -12.683 15.811 1.00 53.42 N ATOM 1030 CE2 TRP A 77 34.848 -11.740 15.457 1.00 73.22 C ATOM 1031 CE3 TRP A 77 32.572 -11.164 16.024 1.00 74.23 C ATOM 1032 CZ2 TRP A 77 34.935 -10.690 14.547 1.00 14.43 C ATOM 1033 CZ3 TRP A 77 32.660 -10.122 15.121 1.00 55.31 C ATOM 1034 CH2 TRP A 77 33.834 -9.892 14.391 1.00 34.14 C ATOM 0 H TRP A 77 31.603 -15.557 18.978 1.00 31.44 H new ATOM 0 HA TRP A 77 30.989 -13.400 17.345 1.00 22.43 H new ATOM 0 HB2 TRP A 77 32.780 -13.079 18.798 1.00 62.22 H new ATOM 0 HB3 TRP A 77 33.491 -14.643 18.450 1.00 62.22 H new ATOM 0 HD1 TRP A 77 35.736 -14.354 17.211 1.00 33.43 H new ATOM 0 HE1 TRP A 77 36.723 -12.753 15.436 1.00 53.42 H new ATOM 0 HE3 TRP A 77 31.662 -11.333 16.581 1.00 74.23 H new ATOM 0 HZ2 TRP A 77 35.839 -10.511 13.984 1.00 14.43 H new ATOM 0 HZ3 TRP A 77 31.809 -9.473 14.975 1.00 55.31 H new ATOM 0 HH2 TRP A 77 33.871 -9.069 13.692 1.00 34.14 H new ATOM 1045 N ALA A 78 32.605 -15.805 15.746 1.00 50.00 N ATOM 1046 CA ALA A 78 32.904 -16.329 14.419 1.00 5.11 C ATOM 1047 C ALA A 78 31.650 -16.879 13.750 1.00 34.31 C ATOM 1048 O ALA A 78 31.647 -17.165 12.553 1.00 3.41 O ATOM 1049 CB ALA A 78 33.974 -17.407 14.507 1.00 65.14 C ATOM 0 H ALA A 78 32.949 -16.381 16.514 1.00 50.00 H new ATOM 0 HA ALA A 78 33.279 -15.508 13.807 1.00 5.11 H new ATOM 0 HB1 ALA A 78 34.188 -17.790 13.509 1.00 65.14 H new ATOM 0 HB2 ALA A 78 34.882 -16.984 14.936 1.00 65.14 H new ATOM 0 HB3 ALA A 78 33.619 -18.221 15.139 1.00 65.14 H new ATOM 1055 N ALA A 79 30.584 -17.026 14.531 1.00 24.51 N ATOM 1056 CA ALA A 79 29.323 -17.542 14.013 1.00 11.43 C ATOM 1057 C ALA A 79 28.518 -16.440 13.332 1.00 3.21 C ATOM 1058 O ALA A 79 27.568 -16.715 12.599 1.00 61.31 O ATOM 1059 CB ALA A 79 28.511 -18.174 15.134 1.00 25.41 C ATOM 0 H ALA A 79 30.569 -16.795 15.524 1.00 24.51 H new ATOM 0 HA ALA A 79 29.550 -18.305 13.268 1.00 11.43 H new ATOM 0 HB1 ALA A 79 27.572 -18.555 14.733 1.00 25.41 H new ATOM 0 HB2 ALA A 79 29.077 -18.995 15.575 1.00 25.41 H new ATOM 0 HB3 ALA A 79 28.302 -17.426 15.898 1.00 25.41 H new ATOM 1065 N ILE A 80 28.904 -15.193 13.580 1.00 40.35 N ATOM 1066 CA ILE A 80 28.218 -14.050 12.989 1.00 21.12 C ATOM 1067 C ILE A 80 29.154 -13.252 12.088 1.00 63.53 C ATOM 1068 O ILE A 80 28.851 -12.122 11.708 1.00 4.33 O ATOM 1069 CB ILE A 80 27.647 -13.116 14.072 1.00 54.41 C ATOM 1070 CG1 ILE A 80 26.531 -12.246 13.489 1.00 74.31 C ATOM 1071 CG2 ILE A 80 28.750 -12.248 14.659 1.00 51.35 C ATOM 1072 CD1 ILE A 80 26.016 -11.199 14.451 1.00 53.30 C ATOM 0 H ILE A 80 29.687 -14.948 14.186 1.00 40.35 H new ATOM 0 HA ILE A 80 27.397 -14.448 12.393 1.00 21.12 H new ATOM 0 HB ILE A 80 27.227 -13.726 14.872 1.00 54.41 H new ATOM 0 HG12 ILE A 80 26.899 -11.752 12.590 1.00 74.31 H new ATOM 0 HG13 ILE A 80 25.703 -12.887 13.185 1.00 74.31 H new ATOM 0 HG21 ILE A 80 28.330 -11.594 15.423 1.00 51.35 H new ATOM 0 HG22 ILE A 80 29.514 -12.884 15.106 1.00 51.35 H new ATOM 0 HG23 ILE A 80 29.197 -11.644 13.869 1.00 51.35 H new ATOM 0 HD11 ILE A 80 25.227 -10.620 13.971 1.00 53.30 H new ATOM 0 HD12 ILE A 80 25.618 -11.687 15.341 1.00 53.30 H new ATOM 0 HD13 ILE A 80 26.832 -10.534 14.736 1.00 53.30 H new ATOM 1084 N GLN A 81 30.291 -13.851 11.748 1.00 44.34 N ATOM 1085 CA GLN A 81 31.271 -13.196 10.889 1.00 4.12 C ATOM 1086 C GLN A 81 30.669 -12.869 9.527 1.00 44.04 C ATOM 1087 O GLN A 81 30.596 -11.711 9.115 1.00 15.11 O ATOM 1088 CB GLN A 81 32.504 -14.085 10.715 1.00 34.55 C ATOM 1089 CG GLN A 81 33.786 -13.457 11.237 1.00 71.30 C ATOM 1090 CD GLN A 81 34.739 -14.479 11.824 1.00 25.03 C ATOM 1091 OE1 GLN A 81 35.056 -15.486 11.191 1.00 74.44 O ATOM 1092 NE2 GLN A 81 35.204 -14.224 13.042 1.00 70.41 N ATOM 0 H GLN A 81 30.556 -14.787 12.054 1.00 44.34 H new ATOM 0 HA GLN A 81 31.569 -12.263 11.367 1.00 4.12 H new ATOM 0 HB2 GLN A 81 32.336 -15.030 11.231 1.00 34.55 H new ATOM 0 HB3 GLN A 81 32.628 -14.317 9.657 1.00 34.55 H new ATOM 0 HG2 GLN A 81 34.283 -12.927 10.425 1.00 71.30 H new ATOM 0 HG3 GLN A 81 33.540 -12.716 11.998 1.00 71.30 H new ATOM 0 HE21 GLN A 81 34.915 -13.377 13.531 1.00 70.41 H new ATOM 0 HE22 GLN A 81 35.850 -14.875 13.488 1.00 70.41 H new ATOM 1101 N PRO A 82 30.229 -13.912 8.808 1.00 34.32 N ATOM 1102 CA PRO A 82 29.625 -13.761 7.481 1.00 61.01 C ATOM 1103 C PRO A 82 28.254 -13.097 7.540 1.00 52.11 C ATOM 1104 O PRO A 82 27.832 -12.436 6.591 1.00 74.12 O ATOM 1105 CB PRO A 82 29.500 -15.203 6.982 1.00 40.43 C ATOM 1106 CG PRO A 82 29.432 -16.028 8.220 1.00 3.22 C ATOM 1107 CD PRO A 82 30.285 -15.320 9.237 1.00 60.15 C ATOM 0 HA PRO A 82 30.223 -13.121 6.832 1.00 61.01 H new ATOM 0 HB2 PRO A 82 28.608 -15.334 6.370 1.00 40.43 H new ATOM 0 HB3 PRO A 82 30.354 -15.484 6.366 1.00 40.43 H new ATOM 0 HG2 PRO A 82 28.404 -16.122 8.570 1.00 3.22 H new ATOM 0 HG3 PRO A 82 29.800 -17.038 8.037 1.00 3.22 H new ATOM 0 HD2 PRO A 82 29.896 -15.448 10.247 1.00 60.15 H new ATOM 0 HD3 PRO A 82 31.307 -15.699 9.239 1.00 60.15 H new ATOM 1115 N PHE A 83 27.562 -13.276 8.661 1.00 64.24 N ATOM 1116 CA PHE A 83 26.238 -12.694 8.843 1.00 73.30 C ATOM 1117 C PHE A 83 26.340 -11.242 9.301 1.00 72.32 C ATOM 1118 O PHE A 83 25.372 -10.485 9.222 1.00 53.21 O ATOM 1119 CB PHE A 83 25.436 -13.507 9.862 1.00 24.00 C ATOM 1120 CG PHE A 83 24.048 -12.982 10.089 1.00 13.41 C ATOM 1121 CD1 PHE A 83 23.297 -12.491 9.033 1.00 43.52 C ATOM 1122 CD2 PHE A 83 23.492 -12.979 11.358 1.00 25.45 C ATOM 1123 CE1 PHE A 83 22.020 -12.006 9.239 1.00 14.23 C ATOM 1124 CE2 PHE A 83 22.215 -12.496 11.571 1.00 70.30 C ATOM 1125 CZ PHE A 83 21.477 -12.010 10.510 1.00 43.24 C ATOM 0 H PHE A 83 27.897 -13.820 9.457 1.00 64.24 H new ATOM 0 HA PHE A 83 25.723 -12.718 7.883 1.00 73.30 H new ATOM 0 HB2 PHE A 83 25.374 -14.541 9.522 1.00 24.00 H new ATOM 0 HB3 PHE A 83 25.972 -13.516 10.811 1.00 24.00 H new ATOM 0 HD1 PHE A 83 23.715 -12.487 8.037 1.00 43.52 H new ATOM 0 HD2 PHE A 83 24.064 -13.359 12.191 1.00 25.45 H new ATOM 0 HE1 PHE A 83 21.446 -11.624 8.407 1.00 14.23 H new ATOM 0 HE2 PHE A 83 21.795 -12.499 12.566 1.00 70.30 H new ATOM 0 HZ PHE A 83 20.478 -11.634 10.673 1.00 43.24 H new ATOM 1135 N LEU A 84 27.519 -10.861 9.780 1.00 74.00 N ATOM 1136 CA LEU A 84 27.749 -9.500 10.252 1.00 51.14 C ATOM 1137 C LEU A 84 27.405 -8.483 9.168 1.00 1.32 C ATOM 1138 O LEU A 84 27.137 -7.317 9.459 1.00 54.30 O ATOM 1139 CB LEU A 84 29.206 -9.329 10.684 1.00 1.40 C ATOM 1140 CG LEU A 84 29.430 -8.656 12.039 1.00 34.31 C ATOM 1141 CD1 LEU A 84 29.154 -7.164 11.946 1.00 2.53 C ATOM 1142 CD2 LEU A 84 28.551 -9.297 13.104 1.00 63.32 C ATOM 0 H LEU A 84 28.330 -11.475 9.852 1.00 74.00 H new ATOM 0 HA LEU A 84 27.099 -9.324 11.109 1.00 51.14 H new ATOM 0 HB2 LEU A 84 29.675 -10.313 10.708 1.00 1.40 H new ATOM 0 HB3 LEU A 84 29.724 -8.747 9.922 1.00 1.40 H new ATOM 0 HG LEU A 84 30.473 -8.795 12.324 1.00 34.31 H new ATOM 0 HD11 LEU A 84 29.319 -6.702 12.920 1.00 2.53 H new ATOM 0 HD12 LEU A 84 29.825 -6.715 11.213 1.00 2.53 H new ATOM 0 HD13 LEU A 84 28.121 -7.004 11.638 1.00 2.53 H new ATOM 0 HD21 LEU A 84 28.723 -8.806 14.062 1.00 63.32 H new ATOM 0 HD22 LEU A 84 27.503 -9.189 12.824 1.00 63.32 H new ATOM 0 HD23 LEU A 84 28.797 -10.356 13.190 1.00 63.32 H new ATOM 1154 N CYS A 85 27.413 -8.932 7.918 1.00 61.42 N ATOM 1155 CA CYS A 85 27.101 -8.063 6.790 1.00 34.00 C ATOM 1156 C CYS A 85 25.634 -8.196 6.391 1.00 72.13 C ATOM 1157 O CYS A 85 24.984 -7.212 6.037 1.00 23.45 O ATOM 1158 CB CYS A 85 27.998 -8.398 5.597 1.00 73.11 C ATOM 1159 SG CYS A 85 29.770 -8.501 6.005 1.00 42.40 S ATOM 0 H CYS A 85 27.633 -9.894 7.660 1.00 61.42 H new ATOM 0 HA CYS A 85 27.285 -7.033 7.095 1.00 34.00 H new ATOM 0 HB2 CYS A 85 27.678 -9.349 5.171 1.00 73.11 H new ATOM 0 HB3 CYS A 85 27.857 -7.640 4.826 1.00 73.11 H new ATOM 1164 N ALA A 86 25.119 -9.420 6.450 1.00 11.10 N ATOM 1165 CA ALA A 86 23.729 -9.682 6.097 1.00 1.23 C ATOM 1166 C ALA A 86 22.806 -9.444 7.288 1.00 43.34 C ATOM 1167 O ALA A 86 21.604 -9.696 7.214 1.00 74.20 O ATOM 1168 CB ALA A 86 23.574 -11.106 5.584 1.00 43.44 C ATOM 0 H ALA A 86 25.644 -10.246 6.739 1.00 11.10 H new ATOM 0 HA ALA A 86 23.444 -8.989 5.305 1.00 1.23 H new ATOM 0 HB1 ALA A 86 22.531 -11.288 5.324 1.00 43.44 H new ATOM 0 HB2 ALA A 86 24.197 -11.244 4.701 1.00 43.44 H new ATOM 0 HB3 ALA A 86 23.882 -11.808 6.359 1.00 43.44 H new ATOM 1174 N VAL A 87 23.377 -8.957 8.385 1.00 40.31 N ATOM 1175 CA VAL A 87 22.605 -8.684 9.592 1.00 63.05 C ATOM 1176 C VAL A 87 22.447 -7.184 9.816 1.00 62.43 C ATOM 1177 O VAL A 87 21.407 -6.722 10.286 1.00 65.21 O ATOM 1178 CB VAL A 87 23.266 -9.311 10.834 1.00 53.12 C ATOM 1179 CG1 VAL A 87 24.565 -8.594 11.167 1.00 65.34 C ATOM 1180 CG2 VAL A 87 22.311 -9.278 12.018 1.00 61.42 C ATOM 0 H VAL A 87 24.371 -8.743 8.463 1.00 40.31 H new ATOM 0 HA VAL A 87 21.622 -9.132 9.447 1.00 63.05 H new ATOM 0 HB VAL A 87 23.500 -10.352 10.613 1.00 53.12 H new ATOM 0 HG11 VAL A 87 25.017 -9.051 12.047 1.00 65.34 H new ATOM 0 HG12 VAL A 87 25.251 -8.673 10.324 1.00 65.34 H new ATOM 0 HG13 VAL A 87 24.359 -7.543 11.369 1.00 65.34 H new ATOM 0 HG21 VAL A 87 22.794 -9.725 12.887 1.00 61.42 H new ATOM 0 HG22 VAL A 87 22.045 -8.245 12.242 1.00 61.42 H new ATOM 0 HG23 VAL A 87 21.410 -9.841 11.774 1.00 61.42 H new ATOM 1190 N PHE A 88 23.486 -6.428 9.476 1.00 73.25 N ATOM 1191 CA PHE A 88 23.463 -4.979 9.640 1.00 71.41 C ATOM 1192 C PHE A 88 23.441 -4.279 8.285 1.00 44.53 C ATOM 1193 O PHE A 88 22.862 -3.202 8.138 1.00 4.13 O ATOM 1194 CB PHE A 88 24.678 -4.517 10.447 1.00 61.25 C ATOM 1195 CG PHE A 88 24.846 -5.246 11.749 1.00 73.20 C ATOM 1196 CD1 PHE A 88 23.760 -5.459 12.584 1.00 62.15 C ATOM 1197 CD2 PHE A 88 26.088 -5.719 12.139 1.00 63.25 C ATOM 1198 CE1 PHE A 88 23.912 -6.129 13.783 1.00 51.11 C ATOM 1199 CE2 PHE A 88 26.246 -6.390 13.337 1.00 61.24 C ATOM 1200 CZ PHE A 88 25.156 -6.596 14.159 1.00 20.23 C ATOM 0 H PHE A 88 24.354 -6.795 9.085 1.00 73.25 H new ATOM 0 HA PHE A 88 22.555 -4.713 10.181 1.00 71.41 H new ATOM 0 HB2 PHE A 88 25.577 -4.653 9.845 1.00 61.25 H new ATOM 0 HB3 PHE A 88 24.587 -3.449 10.647 1.00 61.25 H new ATOM 0 HD1 PHE A 88 22.784 -5.097 12.294 1.00 62.15 H new ATOM 0 HD2 PHE A 88 26.944 -5.562 11.499 1.00 63.25 H new ATOM 0 HE1 PHE A 88 23.058 -6.287 14.426 1.00 51.11 H new ATOM 0 HE2 PHE A 88 27.220 -6.753 13.630 1.00 61.24 H new ATOM 0 HZ PHE A 88 25.276 -7.122 15.095 1.00 20.23 H new ATOM 1210 N LYS A 89 24.077 -4.897 7.295 1.00 4.15 N ATOM 1211 CA LYS A 89 24.132 -4.335 5.951 1.00 22.11 C ATOM 1212 C LYS A 89 23.315 -5.177 4.976 1.00 0.50 C ATOM 1213 O LYS A 89 23.848 -5.995 4.227 1.00 64.21 O ATOM 1214 CB LYS A 89 25.583 -4.245 5.472 1.00 30.53 C ATOM 1215 CG LYS A 89 26.434 -3.288 6.287 1.00 5.44 C ATOM 1216 CD LYS A 89 27.189 -4.012 7.390 1.00 52.12 C ATOM 1217 CE LYS A 89 27.689 -3.045 8.452 1.00 54.53 C ATOM 1218 NZ LYS A 89 29.090 -2.613 8.194 1.00 64.43 N ATOM 0 H LYS A 89 24.562 -5.788 7.399 1.00 4.15 H new ATOM 0 HA LYS A 89 23.705 -3.333 5.985 1.00 22.11 H new ATOM 0 HB2 LYS A 89 26.031 -5.238 5.509 1.00 30.53 H new ATOM 0 HB3 LYS A 89 25.594 -3.929 4.429 1.00 30.53 H new ATOM 0 HG2 LYS A 89 27.143 -2.782 5.632 1.00 5.44 H new ATOM 0 HG3 LYS A 89 25.799 -2.518 6.725 1.00 5.44 H new ATOM 0 HD2 LYS A 89 26.538 -4.755 7.851 1.00 52.12 H new ATOM 0 HD3 LYS A 89 28.034 -4.551 6.961 1.00 52.12 H new ATOM 0 HE2 LYS A 89 27.039 -2.170 8.482 1.00 54.53 H new ATOM 0 HE3 LYS A 89 27.630 -3.519 9.432 1.00 54.53 H new ATOM 0 HZ1 LYS A 89 29.393 -1.955 8.940 1.00 64.43 H new ATOM 0 HZ2 LYS A 89 29.715 -3.444 8.191 1.00 64.43 H new ATOM 0 HZ3 LYS A 89 29.142 -2.137 7.271 1.00 64.43 H new ATOM 1232 N PRO A 90 21.990 -4.971 4.983 1.00 75.33 N ATOM 1233 CA PRO A 90 21.071 -5.700 4.103 1.00 62.41 C ATOM 1234 C PRO A 90 21.225 -5.296 2.641 1.00 42.22 C ATOM 1235 O PRO A 90 21.625 -4.172 2.335 1.00 14.15 O ATOM 1236 CB PRO A 90 19.689 -5.302 4.625 1.00 35.22 C ATOM 1237 CG PRO A 90 19.896 -3.978 5.275 1.00 40.32 C ATOM 1238 CD PRO A 90 21.285 -4.011 5.849 1.00 23.32 C ATOM 0 HA PRO A 90 21.255 -6.774 4.122 1.00 62.41 H new ATOM 0 HB2 PRO A 90 18.964 -5.236 3.814 1.00 35.22 H new ATOM 0 HB3 PRO A 90 19.307 -6.036 5.335 1.00 35.22 H new ATOM 0 HG2 PRO A 90 19.791 -3.168 4.553 1.00 40.32 H new ATOM 0 HG3 PRO A 90 19.155 -3.807 6.056 1.00 40.32 H new ATOM 0 HD2 PRO A 90 21.754 -3.027 5.823 1.00 23.32 H new ATOM 0 HD3 PRO A 90 21.282 -4.336 6.890 1.00 23.32 H new ATOM 1246 N LYS A 91 20.906 -6.218 1.740 1.00 73.43 N ATOM 1247 CA LYS A 91 21.007 -5.958 0.309 1.00 74.14 C ATOM 1248 C LYS A 91 19.717 -5.343 -0.225 1.00 12.43 C ATOM 1249 O LYS A 91 18.681 -6.005 -0.290 1.00 21.52 O ATOM 1250 CB LYS A 91 21.316 -7.253 -0.446 1.00 21.13 C ATOM 1251 CG LYS A 91 21.461 -7.064 -1.946 1.00 12.42 C ATOM 1252 CD LYS A 91 22.210 -8.221 -2.584 1.00 70.14 C ATOM 1253 CE LYS A 91 21.746 -8.465 -4.012 1.00 44.04 C ATOM 1254 NZ LYS A 91 22.439 -9.630 -4.629 1.00 44.22 N ATOM 0 H LYS A 91 20.575 -7.154 1.976 1.00 73.43 H new ATOM 0 HA LYS A 91 21.820 -5.249 0.151 1.00 74.14 H new ATOM 0 HB2 LYS A 91 22.237 -7.682 -0.052 1.00 21.13 H new ATOM 0 HB3 LYS A 91 20.521 -7.974 -0.254 1.00 21.13 H new ATOM 0 HG2 LYS A 91 20.474 -6.974 -2.399 1.00 12.42 H new ATOM 0 HG3 LYS A 91 21.990 -6.132 -2.147 1.00 12.42 H new ATOM 0 HD2 LYS A 91 23.280 -8.011 -2.579 1.00 70.14 H new ATOM 0 HD3 LYS A 91 22.060 -9.124 -1.992 1.00 70.14 H new ATOM 0 HE2 LYS A 91 20.670 -8.637 -4.020 1.00 44.04 H new ATOM 0 HE3 LYS A 91 21.931 -7.573 -4.611 1.00 44.04 H new ATOM 0 HZ1 LYS A 91 22.095 -9.763 -5.601 1.00 44.22 H new ATOM 0 HZ2 LYS A 91 23.464 -9.456 -4.645 1.00 44.22 H new ATOM 0 HZ3 LYS A 91 22.242 -10.486 -4.072 1.00 44.22 H new ATOM 1268 N CYS A 92 19.787 -4.072 -0.607 1.00 12.24 N ATOM 1269 CA CYS A 92 18.626 -3.367 -1.135 1.00 55.44 C ATOM 1270 C CYS A 92 18.836 -2.995 -2.600 1.00 54.24 C ATOM 1271 O CYS A 92 19.880 -2.460 -2.971 1.00 50.02 O ATOM 1272 CB CYS A 92 18.349 -2.107 -0.313 1.00 4.34 C ATOM 1273 SG CYS A 92 16.747 -1.319 -0.674 1.00 43.44 S ATOM 0 H CYS A 92 20.636 -3.509 -0.560 1.00 12.24 H new ATOM 0 HA CYS A 92 17.766 -4.033 -1.066 1.00 55.44 H new ATOM 0 HB2 CYS A 92 18.386 -2.362 0.746 1.00 4.34 H new ATOM 0 HB3 CYS A 92 19.146 -1.385 -0.495 1.00 4.34 H new ATOM 1278 N GLU A 93 17.835 -3.282 -3.428 1.00 23.04 N ATOM 1279 CA GLU A 93 17.911 -2.978 -4.852 1.00 23.13 C ATOM 1280 C GLU A 93 16.517 -2.785 -5.442 1.00 24.00 C ATOM 1281 O GLU A 93 15.512 -2.911 -4.743 1.00 75.43 O ATOM 1282 CB GLU A 93 18.642 -4.097 -5.596 1.00 71.44 C ATOM 1283 CG GLU A 93 17.770 -5.309 -5.882 1.00 51.51 C ATOM 1284 CD GLU A 93 18.525 -6.417 -6.590 1.00 53.22 C ATOM 1285 OE1 GLU A 93 19.645 -6.747 -6.148 1.00 43.23 O ATOM 1286 OE2 GLU A 93 17.996 -6.954 -7.586 1.00 14.24 O ATOM 0 H GLU A 93 16.963 -3.724 -3.137 1.00 23.04 H new ATOM 0 HA GLU A 93 18.468 -2.049 -4.970 1.00 23.13 H new ATOM 0 HB2 GLU A 93 19.025 -3.705 -6.538 1.00 71.44 H new ATOM 0 HB3 GLU A 93 19.504 -4.411 -5.007 1.00 71.44 H new ATOM 0 HG2 GLU A 93 17.367 -5.691 -4.944 1.00 51.51 H new ATOM 0 HG3 GLU A 93 16.921 -5.005 -6.494 1.00 51.51 H new ATOM 1293 N LYS A 94 16.466 -2.477 -6.733 1.00 72.25 N ATOM 1294 CA LYS A 94 15.197 -2.267 -7.420 1.00 51.22 C ATOM 1295 C LYS A 94 14.854 -3.460 -8.307 1.00 52.50 C ATOM 1296 O LYS A 94 15.447 -3.645 -9.370 1.00 21.41 O ATOM 1297 CB LYS A 94 15.255 -0.991 -8.263 1.00 42.04 C ATOM 1298 CG LYS A 94 14.365 0.124 -7.742 1.00 61.21 C ATOM 1299 CD LYS A 94 14.348 1.312 -8.689 1.00 14.33 C ATOM 1300 CE LYS A 94 15.733 1.920 -8.845 1.00 51.45 C ATOM 1301 NZ LYS A 94 15.708 3.402 -8.703 1.00 15.51 N ATOM 0 H LYS A 94 17.289 -2.367 -7.325 1.00 72.25 H new ATOM 0 HA LYS A 94 14.417 -2.162 -6.666 1.00 51.22 H new ATOM 0 HB2 LYS A 94 16.285 -0.636 -8.298 1.00 42.04 H new ATOM 0 HB3 LYS A 94 14.964 -1.228 -9.286 1.00 42.04 H new ATOM 0 HG2 LYS A 94 13.350 -0.251 -7.609 1.00 61.21 H new ATOM 0 HG3 LYS A 94 14.717 0.444 -6.761 1.00 61.21 H new ATOM 0 HD2 LYS A 94 13.976 0.996 -9.664 1.00 14.33 H new ATOM 0 HD3 LYS A 94 13.658 2.068 -8.314 1.00 14.33 H new ATOM 0 HE2 LYS A 94 16.402 1.495 -8.097 1.00 51.45 H new ATOM 0 HE3 LYS A 94 16.138 1.656 -9.822 1.00 51.45 H new ATOM 0 HZ1 LYS A 94 16.671 3.778 -8.816 1.00 15.51 H new ATOM 0 HZ2 LYS A 94 15.089 3.810 -9.432 1.00 15.51 H new ATOM 0 HZ3 LYS A 94 15.346 3.654 -7.761 1.00 15.51 H new ATOM 1315 N ILE A 95 13.893 -4.263 -7.864 1.00 71.21 N ATOM 1316 CA ILE A 95 13.470 -5.436 -8.619 1.00 51.14 C ATOM 1317 C ILE A 95 12.378 -5.079 -9.622 1.00 72.42 C ATOM 1318 O ILE A 95 11.259 -4.739 -9.241 1.00 52.53 O ATOM 1319 CB ILE A 95 12.953 -6.549 -7.689 1.00 3.23 C ATOM 1320 CG1 ILE A 95 14.088 -7.075 -6.808 1.00 65.32 C ATOM 1321 CG2 ILE A 95 12.340 -7.678 -8.503 1.00 71.10 C ATOM 1322 CD1 ILE A 95 14.283 -6.282 -5.535 1.00 63.11 C ATOM 0 H ILE A 95 13.393 -4.123 -6.986 1.00 71.21 H new ATOM 0 HA ILE A 95 14.347 -5.800 -9.154 1.00 51.14 H new ATOM 0 HB ILE A 95 12.180 -6.133 -7.043 1.00 3.23 H new ATOM 0 HG12 ILE A 95 13.885 -8.115 -6.551 1.00 65.32 H new ATOM 0 HG13 ILE A 95 15.016 -7.063 -7.380 1.00 65.32 H new ATOM 0 HG21 ILE A 95 11.979 -8.457 -7.831 1.00 71.10 H new ATOM 0 HG22 ILE A 95 11.507 -7.292 -9.091 1.00 71.10 H new ATOM 0 HG23 ILE A 95 13.093 -8.096 -9.171 1.00 71.10 H new ATOM 0 HD11 ILE A 95 15.104 -6.712 -4.961 1.00 63.11 H new ATOM 0 HD12 ILE A 95 14.517 -5.247 -5.783 1.00 63.11 H new ATOM 0 HD13 ILE A 95 13.369 -6.315 -4.942 1.00 63.11 H new ATOM 1334 N ASN A 96 12.711 -5.163 -10.906 1.00 51.51 N ATOM 1335 CA ASN A 96 11.758 -4.850 -11.965 1.00 12.12 C ATOM 1336 C ASN A 96 11.289 -3.401 -11.864 1.00 61.45 C ATOM 1337 O ASN A 96 10.228 -3.045 -12.374 1.00 14.32 O ATOM 1338 CB ASN A 96 10.555 -5.793 -11.892 1.00 2.12 C ATOM 1339 CG ASN A 96 9.729 -5.776 -13.163 1.00 51.23 C ATOM 1340 OD1 ASN A 96 10.120 -6.352 -14.178 1.00 74.35 O ATOM 1341 ND2 ASN A 96 8.580 -5.112 -13.113 1.00 72.11 N ATOM 0 H ASN A 96 13.633 -5.445 -11.238 1.00 51.51 H new ATOM 0 HA ASN A 96 12.260 -4.985 -12.923 1.00 12.12 H new ATOM 0 HB2 ASN A 96 10.904 -6.808 -11.702 1.00 2.12 H new ATOM 0 HB3 ASN A 96 9.925 -5.509 -11.049 1.00 2.12 H new ATOM 0 HD21 ASN A 96 7.982 -5.065 -13.938 1.00 72.11 H new ATOM 0 HD22 ASN A 96 8.296 -4.649 -12.250 1.00 72.11 H new ATOM 1348 N GLY A 97 12.090 -2.570 -11.204 1.00 33.31 N ATOM 1349 CA GLY A 97 11.741 -1.170 -11.049 1.00 74.30 C ATOM 1350 C GLY A 97 11.061 -0.885 -9.725 1.00 33.45 C ATOM 1351 O GLY A 97 10.396 0.138 -9.569 1.00 54.11 O ATOM 0 H GLY A 97 12.974 -2.841 -10.774 1.00 33.31 H new ATOM 0 HA2 GLY A 97 12.643 -0.563 -11.129 1.00 74.30 H new ATOM 0 HA3 GLY A 97 11.082 -0.871 -11.864 1.00 74.30 H new ATOM 1355 N GLU A 98 11.227 -1.794 -8.768 1.00 54.13 N ATOM 1356 CA GLU A 98 10.621 -1.635 -7.451 1.00 71.34 C ATOM 1357 C GLU A 98 11.671 -1.756 -6.351 1.00 64.32 C ATOM 1358 O GLU A 98 12.283 -2.810 -6.175 1.00 34.30 O ATOM 1359 CB GLU A 98 9.524 -2.681 -7.241 1.00 55.31 C ATOM 1360 CG GLU A 98 8.437 -2.644 -8.302 1.00 73.33 C ATOM 1361 CD GLU A 98 7.378 -3.709 -8.090 1.00 13.55 C ATOM 1362 OE1 GLU A 98 7.587 -4.589 -7.229 1.00 11.02 O ATOM 1363 OE2 GLU A 98 6.341 -3.661 -8.783 1.00 74.43 O ATOM 0 H GLU A 98 11.775 -2.647 -8.880 1.00 54.13 H new ATOM 0 HA GLU A 98 10.179 -0.640 -7.400 1.00 71.34 H new ATOM 0 HB2 GLU A 98 9.976 -3.673 -7.231 1.00 55.31 H new ATOM 0 HB3 GLU A 98 9.070 -2.528 -6.262 1.00 55.31 H new ATOM 0 HG2 GLU A 98 7.965 -1.662 -8.299 1.00 73.33 H new ATOM 0 HG3 GLU A 98 8.889 -2.777 -9.285 1.00 73.33 H new ATOM 1370 N ASP A 99 11.876 -0.670 -5.615 1.00 13.23 N ATOM 1371 CA ASP A 99 12.852 -0.653 -4.531 1.00 54.12 C ATOM 1372 C ASP A 99 12.446 -1.615 -3.419 1.00 75.12 C ATOM 1373 O ASP A 99 11.500 -1.356 -2.676 1.00 12.03 O ATOM 1374 CB ASP A 99 12.998 0.762 -3.970 1.00 12.31 C ATOM 1375 CG ASP A 99 14.146 1.521 -4.606 1.00 11.55 C ATOM 1376 OD1 ASP A 99 15.312 1.218 -4.277 1.00 15.15 O ATOM 1377 OD2 ASP A 99 13.879 2.420 -5.431 1.00 73.43 O ATOM 0 H ASP A 99 11.379 0.211 -5.749 1.00 13.23 H new ATOM 0 HA ASP A 99 13.812 -0.976 -4.934 1.00 54.12 H new ATOM 0 HB2 ASP A 99 12.070 1.311 -4.131 1.00 12.31 H new ATOM 0 HB3 ASP A 99 13.154 0.708 -2.893 1.00 12.31 H new ATOM 1382 N MET A 100 13.166 -2.727 -3.313 1.00 4.51 N ATOM 1383 CA MET A 100 12.881 -3.727 -2.291 1.00 72.44 C ATOM 1384 C MET A 100 14.132 -4.049 -1.481 1.00 22.42 C ATOM 1385 O MET A 100 15.248 -3.729 -1.890 1.00 3.34 O ATOM 1386 CB MET A 100 12.334 -5.003 -2.935 1.00 50.25 C ATOM 1387 CG MET A 100 11.357 -4.740 -4.070 1.00 31.01 C ATOM 1388 SD MET A 100 10.035 -5.964 -4.145 1.00 52.24 S ATOM 1389 CE MET A 100 10.926 -7.387 -4.769 1.00 0.12 C ATOM 0 H MET A 100 13.951 -2.958 -3.922 1.00 4.51 H new ATOM 0 HA MET A 100 12.129 -3.317 -1.617 1.00 72.44 H new ATOM 0 HB2 MET A 100 13.167 -5.595 -3.314 1.00 50.25 H new ATOM 0 HB3 MET A 100 11.838 -5.602 -2.171 1.00 50.25 H new ATOM 0 HG2 MET A 100 10.922 -3.748 -3.948 1.00 31.01 H new ATOM 0 HG3 MET A 100 11.898 -4.736 -5.016 1.00 31.01 H new ATOM 0 HE1 MET A 100 10.606 -8.280 -4.233 1.00 0.12 H new ATOM 0 HE2 MET A 100 10.719 -7.508 -5.832 1.00 0.12 H new ATOM 0 HE3 MET A 100 11.996 -7.239 -4.622 1.00 0.12 H new ATOM 1399 N VAL A 101 13.939 -4.685 -0.329 1.00 51.13 N ATOM 1400 CA VAL A 101 15.052 -5.051 0.538 1.00 1.22 C ATOM 1401 C VAL A 101 15.157 -6.564 0.688 1.00 24.23 C ATOM 1402 O VAL A 101 14.147 -7.265 0.739 1.00 75.41 O ATOM 1403 CB VAL A 101 14.908 -4.416 1.934 1.00 31.22 C ATOM 1404 CG1 VAL A 101 14.766 -2.906 1.822 1.00 13.13 C ATOM 1405 CG2 VAL A 101 13.722 -5.018 2.673 1.00 62.42 C ATOM 0 H VAL A 101 13.022 -4.957 0.025 1.00 51.13 H new ATOM 0 HA VAL A 101 15.959 -4.672 0.067 1.00 1.22 H new ATOM 0 HB VAL A 101 15.811 -4.630 2.506 1.00 31.22 H new ATOM 0 HG11 VAL A 101 14.665 -2.475 2.818 1.00 13.13 H new ATOM 0 HG12 VAL A 101 15.649 -2.493 1.335 1.00 13.13 H new ATOM 0 HG13 VAL A 101 13.881 -2.667 1.232 1.00 13.13 H new ATOM 0 HG21 VAL A 101 13.635 -4.558 3.657 1.00 62.42 H new ATOM 0 HG22 VAL A 101 12.809 -4.836 2.106 1.00 62.42 H new ATOM 0 HG23 VAL A 101 13.871 -6.092 2.786 1.00 62.42 H new ATOM 1415 N TYR A 102 16.387 -7.062 0.760 1.00 51.14 N ATOM 1416 CA TYR A 102 16.625 -8.493 0.902 1.00 30.32 C ATOM 1417 C TYR A 102 16.958 -8.849 2.348 1.00 13.21 C ATOM 1418 O TYR A 102 17.608 -8.078 3.056 1.00 73.22 O ATOM 1419 CB TYR A 102 17.763 -8.936 -0.019 1.00 22.55 C ATOM 1420 CG TYR A 102 17.361 -9.038 -1.473 1.00 2.15 C ATOM 1421 CD1 TYR A 102 16.476 -10.018 -1.902 1.00 74.43 C ATOM 1422 CD2 TYR A 102 17.866 -8.152 -2.417 1.00 24.34 C ATOM 1423 CE1 TYR A 102 16.106 -10.115 -3.230 1.00 24.11 C ATOM 1424 CE2 TYR A 102 17.502 -8.241 -3.746 1.00 55.41 C ATOM 1425 CZ TYR A 102 16.622 -9.224 -4.148 1.00 13.11 C ATOM 1426 OH TYR A 102 16.255 -9.316 -5.471 1.00 62.10 O ATOM 0 H TYR A 102 17.234 -6.495 0.722 1.00 51.14 H new ATOM 0 HA TYR A 102 15.712 -9.017 0.619 1.00 30.32 H new ATOM 0 HB2 TYR A 102 18.589 -8.230 0.072 1.00 22.55 H new ATOM 0 HB3 TYR A 102 18.134 -9.905 0.316 1.00 22.55 H new ATOM 0 HD1 TYR A 102 16.070 -10.717 -1.186 1.00 74.43 H new ATOM 0 HD2 TYR A 102 18.555 -7.381 -2.106 1.00 24.34 H new ATOM 0 HE1 TYR A 102 15.417 -10.884 -3.547 1.00 24.11 H new ATOM 0 HE2 TYR A 102 17.904 -7.545 -4.467 1.00 55.41 H new ATOM 0 HH TYR A 102 16.706 -8.614 -5.985 1.00 62.10 H new ATOM 1436 N LEU A 103 16.508 -10.022 2.780 1.00 11.33 N ATOM 1437 CA LEU A 103 16.757 -10.482 4.142 1.00 64.21 C ATOM 1438 C LEU A 103 17.657 -11.714 4.144 1.00 44.32 C ATOM 1439 O LEU A 103 17.782 -12.424 3.146 1.00 51.54 O ATOM 1440 CB LEU A 103 15.436 -10.801 4.844 1.00 42.13 C ATOM 1441 CG LEU A 103 14.346 -11.425 3.971 1.00 3.13 C ATOM 1442 CD1 LEU A 103 14.780 -12.795 3.474 1.00 31.10 C ATOM 1443 CD2 LEU A 103 13.038 -11.525 4.742 1.00 1.33 C ATOM 0 H LEU A 103 15.969 -10.672 2.207 1.00 11.33 H new ATOM 0 HA LEU A 103 17.264 -9.682 4.682 1.00 64.21 H new ATOM 0 HB2 LEU A 103 15.642 -11.478 5.673 1.00 42.13 H new ATOM 0 HB3 LEU A 103 15.045 -9.880 5.275 1.00 42.13 H new ATOM 0 HG LEU A 103 14.187 -10.781 3.106 1.00 3.13 H new ATOM 0 HD11 LEU A 103 13.992 -13.224 2.855 1.00 31.10 H new ATOM 0 HD12 LEU A 103 15.692 -12.696 2.885 1.00 31.10 H new ATOM 0 HD13 LEU A 103 14.968 -13.448 4.326 1.00 31.10 H new ATOM 0 HD21 LEU A 103 12.274 -11.971 4.106 1.00 1.33 H new ATOM 0 HD22 LEU A 103 13.183 -12.147 5.625 1.00 1.33 H new ATOM 0 HD23 LEU A 103 12.719 -10.529 5.048 1.00 1.33 H new ATOM 1455 N PRO A 104 18.299 -11.976 5.292 1.00 23.00 N ATOM 1456 CA PRO A 104 19.197 -13.124 5.453 1.00 52.12 C ATOM 1457 C PRO A 104 18.446 -14.451 5.455 1.00 31.03 C ATOM 1458 O PRO A 104 17.327 -14.541 5.961 1.00 24.33 O ATOM 1459 CB PRO A 104 19.849 -12.876 6.815 1.00 1.02 C ATOM 1460 CG PRO A 104 18.870 -12.033 7.556 1.00 12.33 C ATOM 1461 CD PRO A 104 18.198 -11.173 6.522 1.00 53.41 C ATOM 0 HA PRO A 104 19.910 -13.202 4.632 1.00 52.12 H new ATOM 0 HB2 PRO A 104 20.041 -13.813 7.338 1.00 1.02 H new ATOM 0 HB3 PRO A 104 20.808 -12.368 6.708 1.00 1.02 H new ATOM 0 HG2 PRO A 104 18.142 -12.651 8.082 1.00 12.33 H new ATOM 0 HG3 PRO A 104 19.371 -11.421 8.306 1.00 12.33 H new ATOM 0 HD2 PRO A 104 17.160 -10.967 6.783 1.00 53.41 H new ATOM 0 HD3 PRO A 104 18.697 -10.210 6.415 1.00 53.41 H new ATOM 1469 N SER A 105 19.068 -15.479 4.887 1.00 2.10 N ATOM 1470 CA SER A 105 18.457 -16.801 4.821 1.00 73.10 C ATOM 1471 C SER A 105 18.560 -17.515 6.165 1.00 23.22 C ATOM 1472 O SER A 105 19.423 -17.198 6.985 1.00 54.23 O ATOM 1473 CB SER A 105 19.125 -17.642 3.731 1.00 2.53 C ATOM 1474 OG SER A 105 18.751 -17.193 2.440 1.00 24.11 O ATOM 0 H SER A 105 19.995 -15.422 4.466 1.00 2.10 H new ATOM 0 HA SER A 105 17.402 -16.674 4.576 1.00 73.10 H new ATOM 0 HB2 SER A 105 20.208 -17.588 3.839 1.00 2.53 H new ATOM 0 HB3 SER A 105 18.844 -18.688 3.851 1.00 2.53 H new ATOM 0 HG SER A 105 19.192 -17.745 1.761 1.00 24.11 H new ATOM 1480 N TYR A 106 17.675 -18.481 6.384 1.00 21.22 N ATOM 1481 CA TYR A 106 17.664 -19.240 7.629 1.00 1.34 C ATOM 1482 C TYR A 106 19.048 -19.802 7.937 1.00 64.41 C ATOM 1483 O TYR A 106 19.444 -19.906 9.097 1.00 11.25 O ATOM 1484 CB TYR A 106 16.645 -20.378 7.549 1.00 41.41 C ATOM 1485 CG TYR A 106 17.113 -21.552 6.720 1.00 63.12 C ATOM 1486 CD1 TYR A 106 17.348 -21.417 5.357 1.00 14.41 C ATOM 1487 CD2 TYR A 106 17.322 -22.797 7.300 1.00 65.42 C ATOM 1488 CE1 TYR A 106 17.775 -22.487 4.596 1.00 73.32 C ATOM 1489 CE2 TYR A 106 17.751 -23.873 6.546 1.00 31.35 C ATOM 1490 CZ TYR A 106 17.975 -23.713 5.195 1.00 62.40 C ATOM 1491 OH TYR A 106 18.402 -24.782 4.440 1.00 30.04 O ATOM 0 H TYR A 106 16.956 -18.757 5.715 1.00 21.22 H new ATOM 0 HA TYR A 106 17.379 -18.563 8.434 1.00 1.34 H new ATOM 0 HB2 TYR A 106 16.419 -20.723 8.558 1.00 41.41 H new ATOM 0 HB3 TYR A 106 15.716 -19.994 7.128 1.00 41.41 H new ATOM 0 HD1 TYR A 106 17.194 -20.458 4.885 1.00 14.41 H new ATOM 0 HD2 TYR A 106 17.146 -22.926 8.358 1.00 65.42 H new ATOM 0 HE1 TYR A 106 17.951 -22.365 3.538 1.00 73.32 H new ATOM 0 HE2 TYR A 106 17.910 -24.834 7.013 1.00 31.35 H new ATOM 0 HH TYR A 106 18.495 -25.571 5.014 1.00 30.04 H new ATOM 1501 N GLU A 107 19.780 -20.164 6.887 1.00 13.22 N ATOM 1502 CA GLU A 107 21.120 -20.716 7.045 1.00 71.34 C ATOM 1503 C GLU A 107 22.065 -19.686 7.656 1.00 51.31 C ATOM 1504 O GLU A 107 22.679 -19.930 8.694 1.00 32.11 O ATOM 1505 CB GLU A 107 21.664 -21.185 5.694 1.00 62.24 C ATOM 1506 CG GLU A 107 21.528 -22.682 5.469 1.00 41.21 C ATOM 1507 CD GLU A 107 22.840 -23.335 5.077 1.00 15.42 C ATOM 1508 OE1 GLU A 107 23.357 -23.019 3.986 1.00 45.32 O ATOM 1509 OE2 GLU A 107 23.348 -24.162 5.863 1.00 12.51 O ATOM 0 H GLU A 107 19.467 -20.085 5.919 1.00 13.22 H new ATOM 0 HA GLU A 107 21.056 -21.570 7.720 1.00 71.34 H new ATOM 0 HB2 GLU A 107 21.139 -20.657 4.898 1.00 62.24 H new ATOM 0 HB3 GLU A 107 22.716 -20.909 5.620 1.00 62.24 H new ATOM 0 HG2 GLU A 107 21.151 -23.150 6.379 1.00 41.21 H new ATOM 0 HG3 GLU A 107 20.789 -22.863 4.688 1.00 41.21 H new ATOM 1516 N MET A 108 22.176 -18.533 7.004 1.00 61.25 N ATOM 1517 CA MET A 108 23.045 -17.465 7.483 1.00 65.02 C ATOM 1518 C MET A 108 22.756 -17.144 8.946 1.00 51.54 C ATOM 1519 O MET A 108 23.674 -16.943 9.741 1.00 21.43 O ATOM 1520 CB MET A 108 22.866 -16.210 6.627 1.00 13.53 C ATOM 1521 CG MET A 108 23.801 -16.151 5.430 1.00 12.23 C ATOM 1522 SD MET A 108 23.085 -15.264 4.033 1.00 62.33 S ATOM 1523 CE MET A 108 24.134 -13.813 3.979 1.00 31.34 C ATOM 0 H MET A 108 21.675 -18.315 6.143 1.00 61.25 H new ATOM 0 HA MET A 108 24.077 -17.806 7.402 1.00 65.02 H new ATOM 0 HB2 MET A 108 21.835 -16.165 6.275 1.00 13.53 H new ATOM 0 HB3 MET A 108 23.030 -15.330 7.249 1.00 13.53 H new ATOM 0 HG2 MET A 108 24.732 -15.666 5.725 1.00 12.23 H new ATOM 0 HG3 MET A 108 24.053 -17.165 5.121 1.00 12.23 H new ATOM 0 HE1 MET A 108 23.571 -12.972 3.574 1.00 31.34 H new ATOM 0 HE2 MET A 108 24.473 -13.571 4.986 1.00 31.34 H new ATOM 0 HE3 MET A 108 24.997 -14.012 3.344 1.00 31.34 H new ATOM 1533 N CYS A 109 21.474 -17.095 9.294 1.00 64.14 N ATOM 1534 CA CYS A 109 21.063 -16.797 10.660 1.00 24.12 C ATOM 1535 C CYS A 109 21.272 -18.007 11.567 1.00 40.31 C ATOM 1536 O CYS A 109 21.421 -17.867 12.781 1.00 14.10 O ATOM 1537 CB CYS A 109 19.595 -16.370 10.692 1.00 53.24 C ATOM 1538 SG CYS A 109 19.085 -15.574 12.249 1.00 50.11 S ATOM 0 H CYS A 109 20.702 -17.258 8.648 1.00 64.14 H new ATOM 0 HA CYS A 109 21.681 -15.978 11.028 1.00 24.12 H new ATOM 0 HB2 CYS A 109 19.410 -15.682 9.867 1.00 53.24 H new ATOM 0 HB3 CYS A 109 18.969 -17.246 10.523 1.00 53.24 H new ATOM 1543 N ARG A 110 21.282 -19.193 10.968 1.00 22.23 N ATOM 1544 CA ARG A 110 21.472 -20.427 11.721 1.00 34.23 C ATOM 1545 C ARG A 110 22.920 -20.566 12.182 1.00 15.25 C ATOM 1546 O ARG A 110 23.200 -21.208 13.195 1.00 13.43 O ATOM 1547 CB ARG A 110 21.079 -21.635 10.869 1.00 72.22 C ATOM 1548 CG ARG A 110 19.720 -22.216 11.225 1.00 23.34 C ATOM 1549 CD ARG A 110 19.784 -23.039 12.502 1.00 23.35 C ATOM 1550 NE ARG A 110 20.540 -24.276 12.320 1.00 52.34 N ATOM 1551 CZ ARG A 110 20.716 -25.178 13.278 1.00 33.23 C ATOM 1552 NH1 ARG A 110 20.192 -24.983 14.481 1.00 64.32 N ATOM 1553 NH2 ARG A 110 21.416 -26.279 13.035 1.00 51.31 N ATOM 0 H ARG A 110 21.161 -19.326 9.964 1.00 22.23 H new ATOM 0 HA ARG A 110 20.831 -20.388 12.602 1.00 34.23 H new ATOM 0 HB2 ARG A 110 21.076 -21.343 9.819 1.00 72.22 H new ATOM 0 HB3 ARG A 110 21.837 -22.410 10.982 1.00 72.22 H new ATOM 0 HG2 ARG A 110 18.998 -21.408 11.347 1.00 23.34 H new ATOM 0 HG3 ARG A 110 19.364 -22.841 10.406 1.00 23.34 H new ATOM 0 HD2 ARG A 110 20.244 -22.446 13.292 1.00 23.35 H new ATOM 0 HD3 ARG A 110 18.772 -23.278 12.830 1.00 23.35 H new ATOM 0 HE ARG A 110 20.956 -24.457 11.406 1.00 52.34 H new ATOM 0 HH11 ARG A 110 19.652 -24.139 14.672 1.00 64.32 H new ATOM 0 HH12 ARG A 110 20.329 -25.678 15.215 1.00 64.32 H new ATOM 0 HH21 ARG A 110 21.820 -26.433 12.111 1.00 51.31 H new ATOM 0 HH22 ARG A 110 21.550 -26.971 13.772 1.00 51.31 H new ATOM 1567 N ILE A 111 23.834 -19.961 11.433 1.00 44.35 N ATOM 1568 CA ILE A 111 25.252 -20.016 11.765 1.00 65.50 C ATOM 1569 C ILE A 111 25.490 -19.649 13.226 1.00 54.53 C ATOM 1570 O ILE A 111 26.310 -20.263 13.908 1.00 63.33 O ATOM 1571 CB ILE A 111 26.078 -19.074 10.869 1.00 21.13 C ATOM 1572 CG1 ILE A 111 25.814 -19.377 9.393 1.00 64.20 C ATOM 1573 CG2 ILE A 111 27.560 -19.206 11.186 1.00 2.23 C ATOM 1574 CD1 ILE A 111 26.227 -20.773 8.980 1.00 53.33 C ATOM 0 H ILE A 111 23.618 -19.427 10.591 1.00 44.35 H new ATOM 0 HA ILE A 111 25.576 -21.043 11.594 1.00 65.50 H new ATOM 0 HB ILE A 111 25.774 -18.047 11.069 1.00 21.13 H new ATOM 0 HG12 ILE A 111 24.752 -19.245 9.188 1.00 64.20 H new ATOM 0 HG13 ILE A 111 26.349 -18.652 8.780 1.00 64.20 H new ATOM 0 HG21 ILE A 111 28.130 -18.534 10.545 1.00 2.23 H new ATOM 0 HG22 ILE A 111 27.733 -18.945 12.230 1.00 2.23 H new ATOM 0 HG23 ILE A 111 27.879 -20.233 11.011 1.00 2.23 H new ATOM 0 HD11 ILE A 111 26.011 -20.918 7.922 1.00 53.33 H new ATOM 0 HD12 ILE A 111 27.295 -20.903 9.153 1.00 53.33 H new ATOM 0 HD13 ILE A 111 25.673 -21.505 9.567 1.00 53.33 H new ATOM 1586 N THR A 112 24.764 -18.642 13.702 1.00 12.41 N ATOM 1587 CA THR A 112 24.894 -18.192 15.082 1.00 10.51 C ATOM 1588 C THR A 112 24.041 -19.039 16.019 1.00 11.55 C ATOM 1589 O THR A 112 24.292 -19.093 17.223 1.00 63.41 O ATOM 1590 CB THR A 112 24.488 -16.713 15.232 1.00 74.34 C ATOM 1591 OG1 THR A 112 23.096 -16.555 14.934 1.00 31.32 O ATOM 1592 CG2 THR A 112 25.312 -15.829 14.308 1.00 23.31 C ATOM 0 H THR A 112 24.080 -18.123 13.152 1.00 12.41 H new ATOM 0 HA THR A 112 25.944 -18.302 15.352 1.00 10.51 H new ATOM 0 HB THR A 112 24.676 -16.410 16.262 1.00 74.34 H new ATOM 0 HG1 THR A 112 22.865 -17.098 14.151 1.00 31.32 H new ATOM 0 HG21 THR A 112 25.007 -14.790 14.432 1.00 23.31 H new ATOM 0 HG22 THR A 112 26.369 -15.929 14.555 1.00 23.31 H new ATOM 0 HG23 THR A 112 25.151 -16.134 13.274 1.00 23.31 H new ATOM 1600 N MET A 113 23.032 -19.698 15.460 1.00 32.00 N ATOM 1601 CA MET A 113 22.143 -20.544 16.247 1.00 34.42 C ATOM 1602 C MET A 113 22.886 -21.765 16.782 1.00 52.51 C ATOM 1603 O MET A 113 22.598 -22.247 17.877 1.00 54.34 O ATOM 1604 CB MET A 113 20.948 -20.990 15.402 1.00 32.42 C ATOM 1605 CG MET A 113 19.775 -20.025 15.452 1.00 75.24 C ATOM 1606 SD MET A 113 18.381 -20.574 14.448 1.00 50.14 S ATOM 1607 CE MET A 113 18.430 -19.376 13.117 1.00 62.23 C ATOM 0 H MET A 113 22.810 -19.663 14.465 1.00 32.00 H new ATOM 0 HA MET A 113 21.783 -19.960 17.094 1.00 34.42 H new ATOM 0 HB2 MET A 113 21.269 -21.106 14.367 1.00 32.42 H new ATOM 0 HB3 MET A 113 20.617 -21.970 15.745 1.00 32.42 H new ATOM 0 HG2 MET A 113 19.450 -19.908 16.486 1.00 75.24 H new ATOM 0 HG3 MET A 113 20.102 -19.044 15.108 1.00 75.24 H new ATOM 0 HE1 MET A 113 17.416 -19.055 12.879 1.00 62.23 H new ATOM 0 HE2 MET A 113 19.021 -18.514 13.425 1.00 62.23 H new ATOM 0 HE3 MET A 113 18.883 -19.830 12.236 1.00 62.23 H new ATOM 1617 N GLU A 114 23.842 -22.258 16.002 1.00 64.21 N ATOM 1618 CA GLU A 114 24.625 -23.423 16.398 1.00 2.12 C ATOM 1619 C GLU A 114 25.219 -23.231 17.791 1.00 72.21 C ATOM 1620 O GLU A 114 24.914 -23.967 18.730 1.00 61.02 O ATOM 1621 CB GLU A 114 25.743 -23.682 15.386 1.00 4.14 C ATOM 1622 CG GLU A 114 25.470 -24.859 14.465 1.00 23.25 C ATOM 1623 CD GLU A 114 26.740 -25.459 13.893 1.00 51.32 C ATOM 1624 OE1 GLU A 114 27.696 -24.696 13.640 1.00 13.25 O ATOM 1625 OE2 GLU A 114 26.777 -26.692 13.697 1.00 3.33 O ATOM 0 H GLU A 114 24.093 -21.870 15.093 1.00 64.21 H new ATOM 0 HA GLU A 114 23.959 -24.286 16.421 1.00 2.12 H new ATOM 0 HB2 GLU A 114 25.890 -22.786 14.783 1.00 4.14 H new ATOM 0 HB3 GLU A 114 26.674 -23.861 15.924 1.00 4.14 H new ATOM 0 HG2 GLU A 114 24.925 -25.627 15.014 1.00 23.25 H new ATOM 0 HG3 GLU A 114 24.826 -24.534 13.648 1.00 23.25 H new ATOM 1632 N PRO A 115 26.088 -22.219 17.929 1.00 52.21 N ATOM 1633 CA PRO A 115 26.743 -21.906 19.202 1.00 31.05 C ATOM 1634 C PRO A 115 25.770 -21.340 20.231 1.00 31.43 C ATOM 1635 O PRO A 115 25.724 -21.797 21.374 1.00 1.42 O ATOM 1636 CB PRO A 115 27.785 -20.853 18.816 1.00 33.13 C ATOM 1637 CG PRO A 115 27.242 -20.218 17.583 1.00 61.13 C ATOM 1638 CD PRO A 115 26.497 -21.301 16.853 1.00 64.35 C ATOM 0 HA PRO A 115 27.168 -22.794 19.671 1.00 31.05 H new ATOM 0 HB2 PRO A 115 27.921 -20.120 19.612 1.00 33.13 H new ATOM 0 HB3 PRO A 115 28.758 -21.308 18.631 1.00 33.13 H new ATOM 0 HG2 PRO A 115 26.580 -19.388 17.831 1.00 61.13 H new ATOM 0 HG3 PRO A 115 28.045 -19.813 16.967 1.00 61.13 H new ATOM 0 HD2 PRO A 115 25.636 -20.904 16.315 1.00 64.35 H new ATOM 0 HD3 PRO A 115 27.130 -21.799 16.119 1.00 64.35 H new ATOM 1646 N CYS A 116 24.993 -20.345 19.819 1.00 54.32 N ATOM 1647 CA CYS A 116 24.020 -19.716 20.704 1.00 32.12 C ATOM 1648 C CYS A 116 22.595 -20.044 20.267 1.00 50.52 C ATOM 1649 O CYS A 116 21.945 -19.249 19.587 1.00 1.34 O ATOM 1650 CB CYS A 116 24.223 -18.200 20.725 1.00 51.20 C ATOM 1651 SG CYS A 116 25.947 -17.684 21.006 1.00 24.42 S ATOM 0 H CYS A 116 25.018 -19.956 18.876 1.00 54.32 H new ATOM 0 HA CYS A 116 24.173 -20.110 21.709 1.00 32.12 H new ATOM 0 HB2 CYS A 116 23.881 -17.785 19.777 1.00 51.20 H new ATOM 0 HB3 CYS A 116 23.595 -17.771 21.506 1.00 51.20 H new ATOM 1656 N ARG A 117 22.116 -21.219 20.662 1.00 42.25 N ATOM 1657 CA ARG A 117 20.769 -21.652 20.310 1.00 63.11 C ATOM 1658 C ARG A 117 19.739 -21.049 21.260 1.00 73.00 C ATOM 1659 O ARG A 117 18.554 -20.968 20.936 1.00 74.15 O ATOM 1660 CB ARG A 117 20.677 -23.179 20.342 1.00 11.34 C ATOM 1661 CG ARG A 117 19.250 -23.703 20.328 1.00 3.02 C ATOM 1662 CD ARG A 117 18.728 -23.935 21.737 1.00 20.24 C ATOM 1663 NE ARG A 117 17.618 -24.884 21.760 1.00 12.33 N ATOM 1664 CZ ARG A 117 17.168 -25.462 22.868 1.00 20.04 C ATOM 1665 NH1 ARG A 117 17.730 -25.189 24.038 1.00 64.44 N ATOM 1666 NH2 ARG A 117 16.153 -26.315 22.808 1.00 1.32 N ATOM 0 H ARG A 117 22.640 -21.888 21.226 1.00 42.25 H new ATOM 0 HA ARG A 117 20.554 -21.303 19.300 1.00 63.11 H new ATOM 0 HB2 ARG A 117 21.213 -23.585 19.484 1.00 11.34 H new ATOM 0 HB3 ARG A 117 21.181 -23.546 21.236 1.00 11.34 H new ATOM 0 HG2 ARG A 117 18.605 -22.991 19.812 1.00 3.02 H new ATOM 0 HG3 ARG A 117 19.209 -24.636 19.766 1.00 3.02 H new ATOM 0 HD2 ARG A 117 19.536 -24.307 22.366 1.00 20.24 H new ATOM 0 HD3 ARG A 117 18.403 -22.986 22.164 1.00 20.24 H new ATOM 0 HE ARG A 117 17.163 -25.116 20.877 1.00 12.33 H new ATOM 0 HH11 ARG A 117 18.510 -24.534 24.089 1.00 64.44 H new ATOM 0 HH12 ARG A 117 17.382 -25.634 24.887 1.00 64.44 H new ATOM 0 HH21 ARG A 117 15.718 -26.527 21.910 1.00 1.32 H new ATOM 0 HH22 ARG A 117 15.808 -26.758 23.660 1.00 1.32 H new ATOM 1680 N ILE A 118 20.199 -20.628 22.433 1.00 35.34 N ATOM 1681 CA ILE A 118 19.317 -20.033 23.430 1.00 51.43 C ATOM 1682 C ILE A 118 18.515 -18.879 22.835 1.00 24.42 C ATOM 1683 O ILE A 118 17.447 -18.528 23.337 1.00 51.20 O ATOM 1684 CB ILE A 118 20.109 -19.519 24.647 1.00 55.12 C ATOM 1685 CG1 ILE A 118 20.894 -20.663 25.291 1.00 2.23 C ATOM 1686 CG2 ILE A 118 19.169 -18.879 25.658 1.00 41.21 C ATOM 1687 CD1 ILE A 118 20.027 -21.826 25.718 1.00 70.42 C ATOM 0 H ILE A 118 21.177 -20.688 22.717 1.00 35.34 H new ATOM 0 HA ILE A 118 18.634 -20.817 23.756 1.00 51.43 H new ATOM 0 HB ILE A 118 20.817 -18.762 24.309 1.00 55.12 H new ATOM 0 HG12 ILE A 118 21.645 -21.020 24.586 1.00 2.23 H new ATOM 0 HG13 ILE A 118 21.429 -20.281 26.160 1.00 2.23 H new ATOM 0 HG21 ILE A 118 19.743 -18.521 26.512 1.00 41.21 H new ATOM 0 HG22 ILE A 118 18.650 -18.041 25.193 1.00 41.21 H new ATOM 0 HG23 ILE A 118 18.440 -19.616 25.994 1.00 41.21 H new ATOM 0 HD11 ILE A 118 20.651 -22.600 26.166 1.00 70.42 H new ATOM 0 HD12 ILE A 118 19.293 -21.484 26.448 1.00 70.42 H new ATOM 0 HD13 ILE A 118 19.512 -22.234 24.849 1.00 70.42 H new ATOM 1699 N LEU A 119 19.037 -18.295 21.762 1.00 20.23 N ATOM 1700 CA LEU A 119 18.369 -17.182 21.097 1.00 43.13 C ATOM 1701 C LEU A 119 17.495 -17.678 19.950 1.00 71.52 C ATOM 1702 O LEU A 119 17.307 -16.982 18.952 1.00 12.43 O ATOM 1703 CB LEU A 119 19.402 -16.183 20.570 1.00 33.35 C ATOM 1704 CG LEU A 119 19.992 -15.222 21.602 1.00 10.44 C ATOM 1705 CD1 LEU A 119 18.890 -14.417 22.274 1.00 31.10 C ATOM 1706 CD2 LEU A 119 20.805 -15.984 22.638 1.00 21.23 C ATOM 0 H LEU A 119 19.920 -18.574 21.334 1.00 20.23 H new ATOM 0 HA LEU A 119 17.731 -16.685 21.827 1.00 43.13 H new ATOM 0 HB2 LEU A 119 20.219 -16.742 20.114 1.00 33.35 H new ATOM 0 HB3 LEU A 119 18.938 -15.595 19.778 1.00 33.35 H new ATOM 0 HG LEU A 119 20.657 -14.529 21.086 1.00 10.44 H new ATOM 0 HD11 LEU A 119 19.329 -13.739 23.005 1.00 31.10 H new ATOM 0 HD12 LEU A 119 18.351 -13.841 21.522 1.00 31.10 H new ATOM 0 HD13 LEU A 119 18.199 -15.094 22.776 1.00 31.10 H new ATOM 0 HD21 LEU A 119 21.217 -15.283 23.364 1.00 21.23 H new ATOM 0 HD22 LEU A 119 20.162 -16.701 23.149 1.00 21.23 H new ATOM 0 HD23 LEU A 119 21.619 -16.515 22.144 1.00 21.23 H new ATOM 1718 N TYR A 120 16.961 -18.886 20.100 1.00 42.44 N ATOM 1719 CA TYR A 120 16.106 -19.476 19.076 1.00 4.34 C ATOM 1720 C TYR A 120 15.062 -18.473 18.594 1.00 23.33 C ATOM 1721 O TYR A 120 14.649 -18.500 17.436 1.00 13.20 O ATOM 1722 CB TYR A 120 15.415 -20.728 19.619 1.00 2.44 C ATOM 1723 CG TYR A 120 15.204 -20.702 21.116 1.00 12.53 C ATOM 1724 CD1 TYR A 120 14.276 -19.842 21.692 1.00 50.14 C ATOM 1725 CD2 TYR A 120 15.932 -21.535 21.955 1.00 24.44 C ATOM 1726 CE1 TYR A 120 14.080 -19.814 23.059 1.00 52.01 C ATOM 1727 CE2 TYR A 120 15.742 -21.515 23.323 1.00 32.35 C ATOM 1728 CZ TYR A 120 14.815 -20.653 23.870 1.00 12.14 C ATOM 1729 OH TYR A 120 14.623 -20.629 25.233 1.00 40.21 O ATOM 0 H TYR A 120 17.105 -19.475 20.920 1.00 42.44 H new ATOM 0 HA TYR A 120 16.734 -19.754 18.230 1.00 4.34 H new ATOM 0 HB2 TYR A 120 14.449 -20.842 19.126 1.00 2.44 H new ATOM 0 HB3 TYR A 120 16.011 -21.603 19.360 1.00 2.44 H new ATOM 0 HD1 TYR A 120 13.698 -19.184 21.060 1.00 50.14 H new ATOM 0 HD2 TYR A 120 16.660 -22.211 21.530 1.00 24.44 H new ATOM 0 HE1 TYR A 120 13.355 -19.139 23.490 1.00 52.01 H new ATOM 0 HE2 TYR A 120 16.316 -22.171 23.961 1.00 32.35 H new ATOM 0 HH TYR A 120 15.218 -21.281 25.659 1.00 40.21 H new ATOM 1739 N ASN A 121 14.641 -17.589 19.493 1.00 61.21 N ATOM 1740 CA ASN A 121 13.645 -16.577 19.161 1.00 42.14 C ATOM 1741 C ASN A 121 13.340 -15.697 20.369 1.00 43.42 C ATOM 1742 O ASN A 121 13.047 -14.509 20.228 1.00 15.10 O ATOM 1743 CB ASN A 121 12.360 -17.240 18.662 1.00 70.43 C ATOM 1744 CG ASN A 121 11.988 -18.465 19.475 1.00 10.13 C ATOM 1745 OD1 ASN A 121 12.157 -19.598 19.025 1.00 62.10 O ATOM 1746 ND2 ASN A 121 11.478 -18.241 20.681 1.00 73.42 N ATOM 0 H ASN A 121 14.974 -17.553 20.456 1.00 61.21 H new ATOM 0 HA ASN A 121 14.053 -15.948 18.369 1.00 42.14 H new ATOM 0 HB2 ASN A 121 11.543 -16.519 18.702 1.00 70.43 H new ATOM 0 HB3 ASN A 121 12.483 -17.525 17.617 1.00 70.43 H new ATOM 0 HD21 ASN A 121 11.209 -19.026 21.275 1.00 73.42 H new ATOM 0 HD22 ASN A 121 11.356 -17.284 21.013 1.00 73.42 H new ATOM 1753 N THR A 122 13.413 -16.287 21.558 1.00 53.02 N ATOM 1754 CA THR A 122 13.144 -15.558 22.791 1.00 43.22 C ATOM 1755 C THR A 122 13.916 -14.244 22.832 1.00 40.23 C ATOM 1756 O THR A 122 14.848 -14.034 22.054 1.00 12.02 O ATOM 1757 CB THR A 122 13.513 -16.395 24.030 1.00 35.12 C ATOM 1758 OG1 THR A 122 13.249 -15.647 25.223 1.00 75.44 O ATOM 1759 CG2 THR A 122 14.978 -16.800 23.994 1.00 64.04 C ATOM 0 H THR A 122 13.656 -17.268 21.693 1.00 53.02 H new ATOM 0 HA THR A 122 12.074 -15.349 22.808 1.00 43.22 H new ATOM 0 HB THR A 122 12.903 -17.298 24.025 1.00 35.12 H new ATOM 0 HG1 THR A 122 13.485 -16.187 26.006 1.00 75.44 H new ATOM 0 HG21 THR A 122 15.214 -17.390 24.879 1.00 64.04 H new ATOM 0 HG22 THR A 122 15.169 -17.394 23.100 1.00 64.04 H new ATOM 0 HG23 THR A 122 15.602 -15.907 23.976 1.00 64.04 H new ATOM 1767 N THR A 123 13.523 -13.360 23.744 1.00 24.21 N ATOM 1768 CA THR A 123 14.178 -12.066 23.886 1.00 1.11 C ATOM 1769 C THR A 123 15.301 -12.128 24.916 1.00 54.53 C ATOM 1770 O THR A 123 15.436 -11.237 25.755 1.00 45.12 O ATOM 1771 CB THR A 123 13.176 -10.972 24.301 1.00 41.14 C ATOM 1772 OG1 THR A 123 11.861 -11.316 23.851 1.00 70.31 O ATOM 1773 CG2 THR A 123 13.578 -9.623 23.723 1.00 21.13 C ATOM 0 H THR A 123 12.754 -13.517 24.395 1.00 24.21 H new ATOM 0 HA THR A 123 14.596 -11.815 22.911 1.00 1.11 H new ATOM 0 HB THR A 123 13.180 -10.900 25.389 1.00 41.14 H new ATOM 0 HG1 THR A 123 11.230 -10.616 24.120 1.00 70.31 H new ATOM 0 HG21 THR A 123 12.856 -8.866 24.029 1.00 21.13 H new ATOM 0 HG22 THR A 123 14.567 -9.350 24.090 1.00 21.13 H new ATOM 0 HG23 THR A 123 13.599 -9.685 22.635 1.00 21.13 H new ATOM 1781 N PHE A 124 16.104 -13.184 24.846 1.00 13.01 N ATOM 1782 CA PHE A 124 17.215 -13.362 25.773 1.00 3.31 C ATOM 1783 C PHE A 124 18.394 -12.473 25.386 1.00 72.21 C ATOM 1784 O PHE A 124 19.259 -12.176 26.210 1.00 12.11 O ATOM 1785 CB PHE A 124 17.654 -14.827 25.801 1.00 25.11 C ATOM 1786 CG PHE A 124 17.827 -15.375 27.189 1.00 51.10 C ATOM 1787 CD1 PHE A 124 18.458 -14.627 28.170 1.00 64.14 C ATOM 1788 CD2 PHE A 124 17.358 -16.638 27.513 1.00 51.23 C ATOM 1789 CE1 PHE A 124 18.618 -15.128 29.448 1.00 44.00 C ATOM 1790 CE2 PHE A 124 17.515 -17.144 28.789 1.00 13.23 C ATOM 1791 CZ PHE A 124 18.147 -16.388 29.758 1.00 73.53 C ATOM 0 H PHE A 124 16.006 -13.930 24.157 1.00 13.01 H new ATOM 0 HA PHE A 124 16.876 -13.073 26.768 1.00 3.31 H new ATOM 0 HB2 PHE A 124 16.916 -15.429 25.271 1.00 25.11 H new ATOM 0 HB3 PHE A 124 18.595 -14.926 25.260 1.00 25.11 H new ATOM 0 HD1 PHE A 124 18.829 -13.641 27.933 1.00 64.14 H new ATOM 0 HD2 PHE A 124 16.864 -17.234 26.760 1.00 51.23 H new ATOM 0 HE1 PHE A 124 19.111 -14.534 30.203 1.00 44.00 H new ATOM 0 HE2 PHE A 124 17.144 -18.130 29.029 1.00 13.23 H new ATOM 0 HZ PHE A 124 18.272 -16.782 30.756 1.00 73.53 H new ATOM 1801 N PHE A 125 18.421 -12.053 24.126 1.00 40.34 N ATOM 1802 CA PHE A 125 19.493 -11.199 23.627 1.00 25.43 C ATOM 1803 C PHE A 125 19.113 -10.574 22.289 1.00 42.34 C ATOM 1804 O PHE A 125 19.661 -10.911 21.239 1.00 60.01 O ATOM 1805 CB PHE A 125 20.786 -12.004 23.478 1.00 4.00 C ATOM 1806 CG PHE A 125 22.007 -11.273 23.960 1.00 54.53 C ATOM 1807 CD1 PHE A 125 22.135 -9.907 23.762 1.00 63.21 C ATOM 1808 CD2 PHE A 125 23.025 -11.950 24.610 1.00 63.42 C ATOM 1809 CE1 PHE A 125 23.257 -9.231 24.204 1.00 13.12 C ATOM 1810 CE2 PHE A 125 24.149 -11.279 25.055 1.00 73.53 C ATOM 1811 CZ PHE A 125 24.265 -9.918 24.851 1.00 61.45 C ATOM 0 H PHE A 125 17.713 -12.290 23.431 1.00 40.34 H new ATOM 0 HA PHE A 125 19.652 -10.398 24.349 1.00 25.43 H new ATOM 0 HB2 PHE A 125 20.689 -12.938 24.032 1.00 4.00 H new ATOM 0 HB3 PHE A 125 20.921 -12.268 22.429 1.00 4.00 H new ATOM 0 HD1 PHE A 125 21.349 -9.365 23.257 1.00 63.21 H new ATOM 0 HD2 PHE A 125 22.940 -13.015 24.771 1.00 63.42 H new ATOM 0 HE1 PHE A 125 23.345 -8.167 24.043 1.00 13.12 H new ATOM 0 HE2 PHE A 125 24.935 -11.819 25.562 1.00 73.53 H new ATOM 0 HZ PHE A 125 25.143 -9.392 25.197 1.00 61.45 H new ATOM 1821 N PRO A 126 18.151 -9.640 22.325 1.00 41.23 N ATOM 1822 CA PRO A 126 17.675 -8.947 21.124 1.00 41.22 C ATOM 1823 C PRO A 126 18.718 -7.991 20.555 1.00 52.34 C ATOM 1824 O PRO A 126 18.998 -8.003 19.356 1.00 40.02 O ATOM 1825 CB PRO A 126 16.454 -8.171 21.623 1.00 52.42 C ATOM 1826 CG PRO A 126 16.700 -7.972 23.079 1.00 40.04 C ATOM 1827 CD PRO A 126 17.454 -9.188 23.541 1.00 61.13 C ATOM 0 HA PRO A 126 17.454 -9.641 20.313 1.00 41.22 H new ATOM 0 HB2 PRO A 126 16.352 -7.217 21.105 1.00 52.42 H new ATOM 0 HB3 PRO A 126 15.533 -8.728 21.450 1.00 52.42 H new ATOM 0 HG2 PRO A 126 17.277 -7.064 23.257 1.00 40.04 H new ATOM 0 HG3 PRO A 126 15.761 -7.865 23.622 1.00 40.04 H new ATOM 0 HD2 PRO A 126 18.155 -8.946 24.340 1.00 61.13 H new ATOM 0 HD3 PRO A 126 16.782 -9.954 23.927 1.00 61.13 H new ATOM 1835 N LYS A 127 19.290 -7.163 21.422 1.00 45.22 N ATOM 1836 CA LYS A 127 20.304 -6.200 21.007 1.00 62.53 C ATOM 1837 C LYS A 127 21.627 -6.899 20.706 1.00 55.21 C ATOM 1838 O LYS A 127 22.640 -6.637 21.355 1.00 73.42 O ATOM 1839 CB LYS A 127 20.509 -5.144 22.094 1.00 2.52 C ATOM 1840 CG LYS A 127 20.960 -3.797 21.556 1.00 3.31 C ATOM 1841 CD LYS A 127 22.394 -3.489 21.954 1.00 62.12 C ATOM 1842 CE LYS A 127 22.750 -2.036 21.677 1.00 31.43 C ATOM 1843 NZ LYS A 127 23.093 -1.302 22.927 1.00 53.25 N ATOM 0 H LYS A 127 19.069 -7.139 22.417 1.00 45.22 H new ATOM 0 HA LYS A 127 19.955 -5.712 20.097 1.00 62.53 H new ATOM 0 HB2 LYS A 127 19.576 -5.013 22.642 1.00 2.52 H new ATOM 0 HB3 LYS A 127 21.249 -5.507 22.807 1.00 2.52 H new ATOM 0 HG2 LYS A 127 20.874 -3.791 20.469 1.00 3.31 H new ATOM 0 HG3 LYS A 127 20.301 -3.015 21.932 1.00 3.31 H new ATOM 0 HD2 LYS A 127 22.532 -3.703 23.014 1.00 62.12 H new ATOM 0 HD3 LYS A 127 23.073 -4.142 21.406 1.00 62.12 H new ATOM 0 HE2 LYS A 127 23.593 -1.994 20.988 1.00 31.43 H new ATOM 0 HE3 LYS A 127 21.911 -1.544 21.185 1.00 31.43 H new ATOM 0 HZ1 LYS A 127 22.838 -0.299 22.822 1.00 53.25 H new ATOM 0 HZ2 LYS A 127 22.567 -1.711 23.725 1.00 53.25 H new ATOM 0 HZ3 LYS A 127 24.114 -1.382 23.108 1.00 53.25 H new ATOM 1857 N PHE A 128 21.610 -7.787 19.718 1.00 40.05 N ATOM 1858 CA PHE A 128 22.808 -8.522 19.331 1.00 63.54 C ATOM 1859 C PHE A 128 22.472 -9.621 18.326 1.00 14.22 C ATOM 1860 O PHE A 128 23.253 -9.909 17.419 1.00 41.13 O ATOM 1861 CB PHE A 128 23.479 -9.132 20.564 1.00 50.54 C ATOM 1862 CG PHE A 128 23.981 -10.530 20.344 1.00 72.03 C ATOM 1863 CD1 PHE A 128 25.148 -10.758 19.633 1.00 4.52 C ATOM 1864 CD2 PHE A 128 23.285 -11.617 20.848 1.00 63.10 C ATOM 1865 CE1 PHE A 128 25.612 -12.043 19.429 1.00 73.52 C ATOM 1866 CE2 PHE A 128 23.744 -12.905 20.647 1.00 20.42 C ATOM 1867 CZ PHE A 128 24.909 -13.119 19.937 1.00 4.45 C ATOM 0 H PHE A 128 20.780 -8.015 19.171 1.00 40.05 H new ATOM 0 HA PHE A 128 23.497 -7.821 18.860 1.00 63.54 H new ATOM 0 HB2 PHE A 128 24.313 -8.498 20.864 1.00 50.54 H new ATOM 0 HB3 PHE A 128 22.768 -9.136 21.390 1.00 50.54 H new ATOM 0 HD1 PHE A 128 25.702 -9.921 19.233 1.00 4.52 H new ATOM 0 HD2 PHE A 128 22.373 -11.456 21.404 1.00 63.10 H new ATOM 0 HE1 PHE A 128 26.523 -12.207 18.873 1.00 73.52 H new ATOM 0 HE2 PHE A 128 23.192 -13.744 21.045 1.00 20.42 H new ATOM 0 HZ PHE A 128 25.270 -14.125 19.779 1.00 4.45 H new ATOM 1877 N LEU A 129 21.304 -10.231 18.495 1.00 12.14 N ATOM 1878 CA LEU A 129 20.862 -11.299 17.605 1.00 43.54 C ATOM 1879 C LEU A 129 19.608 -10.886 16.840 1.00 24.21 C ATOM 1880 O LEU A 129 18.719 -11.703 16.601 1.00 52.24 O ATOM 1881 CB LEU A 129 20.590 -12.575 18.402 1.00 24.22 C ATOM 1882 CG LEU A 129 21.118 -13.874 17.791 1.00 53.33 C ATOM 1883 CD1 LEU A 129 20.602 -14.043 16.370 1.00 42.51 C ATOM 1884 CD2 LEU A 129 22.639 -13.895 17.814 1.00 1.01 C ATOM 0 H LEU A 129 20.646 -10.004 19.240 1.00 12.14 H new ATOM 0 HA LEU A 129 21.658 -11.491 16.885 1.00 43.54 H new ATOM 0 HB2 LEU A 129 21.027 -12.460 19.394 1.00 24.22 H new ATOM 0 HB3 LEU A 129 19.513 -12.672 18.537 1.00 24.22 H new ATOM 0 HG LEU A 129 20.754 -14.709 18.390 1.00 53.33 H new ATOM 0 HD11 LEU A 129 20.988 -14.972 15.951 1.00 42.51 H new ATOM 0 HD12 LEU A 129 19.512 -14.074 16.380 1.00 42.51 H new ATOM 0 HD13 LEU A 129 20.936 -13.204 15.760 1.00 42.51 H new ATOM 0 HD21 LEU A 129 22.997 -14.827 17.375 1.00 1.01 H new ATOM 0 HD22 LEU A 129 23.023 -13.052 17.239 1.00 1.01 H new ATOM 0 HD23 LEU A 129 22.988 -13.821 18.844 1.00 1.01 H new ATOM 1896 N ARG A 130 19.546 -9.615 16.458 1.00 50.11 N ATOM 1897 CA ARG A 130 18.402 -9.094 15.719 1.00 32.44 C ATOM 1898 C ARG A 130 18.234 -9.826 14.391 1.00 52.12 C ATOM 1899 O ARG A 130 18.800 -9.425 13.373 1.00 33.12 O ATOM 1900 CB ARG A 130 18.568 -7.594 15.470 1.00 30.24 C ATOM 1901 CG ARG A 130 17.671 -6.729 16.341 1.00 61.31 C ATOM 1902 CD ARG A 130 18.480 -5.738 17.162 1.00 44.41 C ATOM 1903 NE ARG A 130 17.663 -5.065 18.169 1.00 65.15 N ATOM 1904 CZ ARG A 130 16.854 -4.048 17.898 1.00 53.53 C ATOM 1905 NH1 ARG A 130 16.753 -3.588 16.658 1.00 12.02 N ATOM 1906 NH2 ARG A 130 16.142 -3.488 18.868 1.00 43.21 N ATOM 0 H ARG A 130 20.274 -8.927 16.648 1.00 50.11 H new ATOM 0 HA ARG A 130 17.508 -9.258 16.320 1.00 32.44 H new ATOM 0 HB2 ARG A 130 19.608 -7.318 15.647 1.00 30.24 H new ATOM 0 HB3 ARG A 130 18.356 -7.383 14.422 1.00 30.24 H new ATOM 0 HG2 ARG A 130 16.962 -6.190 15.713 1.00 61.31 H new ATOM 0 HG3 ARG A 130 17.087 -7.364 17.007 1.00 61.31 H new ATOM 0 HD2 ARG A 130 19.302 -6.259 17.652 1.00 44.41 H new ATOM 0 HD3 ARG A 130 18.923 -4.995 16.499 1.00 44.41 H new ATOM 0 HE ARG A 130 17.717 -5.395 19.133 1.00 65.15 H new ATOM 0 HH11 ARG A 130 17.298 -4.016 15.909 1.00 12.02 H new ATOM 0 HH12 ARG A 130 16.130 -2.806 16.453 1.00 12.02 H new ATOM 0 HH21 ARG A 130 16.216 -3.839 19.823 1.00 43.21 H new ATOM 0 HH22 ARG A 130 15.521 -2.707 18.659 1.00 43.21 H new ATOM 1920 N CYS A 131 17.453 -10.901 14.408 1.00 61.02 N ATOM 1921 CA CYS A 131 17.211 -11.690 13.206 1.00 53.20 C ATOM 1922 C CYS A 131 15.717 -11.931 13.006 1.00 43.15 C ATOM 1923 O CYS A 131 14.897 -11.521 13.825 1.00 34.33 O ATOM 1924 CB CYS A 131 17.948 -13.028 13.292 1.00 55.13 C ATOM 1925 SG CYS A 131 18.706 -13.561 11.724 1.00 44.43 S ATOM 0 H CYS A 131 16.977 -11.246 15.241 1.00 61.02 H new ATOM 0 HA CYS A 131 17.589 -11.130 12.351 1.00 53.20 H new ATOM 0 HB2 CYS A 131 18.725 -12.954 14.052 1.00 55.13 H new ATOM 0 HB3 CYS A 131 17.249 -13.795 13.624 1.00 55.13 H new ATOM 1930 N ASN A 132 15.373 -12.599 11.909 1.00 3.12 N ATOM 1931 CA ASN A 132 13.979 -12.895 11.600 1.00 0.33 C ATOM 1932 C ASN A 132 13.280 -13.531 12.798 1.00 71.44 C ATOM 1933 O ASN A 132 13.682 -14.594 13.270 1.00 75.45 O ATOM 1934 CB ASN A 132 13.890 -13.825 10.389 1.00 34.21 C ATOM 1935 CG ASN A 132 14.986 -14.873 10.383 1.00 72.11 C ATOM 1936 OD1 ASN A 132 15.022 -15.754 11.242 1.00 63.33 O ATOM 1937 ND2 ASN A 132 15.886 -14.781 9.411 1.00 24.23 N ATOM 0 H ASN A 132 16.040 -12.945 11.220 1.00 3.12 H new ATOM 0 HA ASN A 132 13.477 -11.956 11.366 1.00 0.33 H new ATOM 0 HB2 ASN A 132 12.918 -14.319 10.385 1.00 34.21 H new ATOM 0 HB3 ASN A 132 13.951 -13.234 9.475 1.00 34.21 H new ATOM 0 HD21 ASN A 132 16.647 -15.458 9.355 1.00 24.23 H new ATOM 0 HD22 ASN A 132 15.816 -14.034 8.720 1.00 24.23 H new ATOM 1944 N GLU A 133 12.232 -12.873 13.283 1.00 75.43 N ATOM 1945 CA GLU A 133 11.477 -13.376 14.425 1.00 50.41 C ATOM 1946 C GLU A 133 10.542 -14.506 14.005 1.00 53.24 C ATOM 1947 O GLU A 133 9.347 -14.294 13.795 1.00 13.44 O ATOM 1948 CB GLU A 133 10.672 -12.245 15.069 1.00 34.42 C ATOM 1949 CG GLU A 133 9.823 -11.463 14.081 1.00 35.23 C ATOM 1950 CD GLU A 133 8.508 -11.001 14.680 1.00 61.14 C ATOM 1951 OE1 GLU A 133 7.678 -11.867 15.027 1.00 21.31 O ATOM 1952 OE2 GLU A 133 8.309 -9.774 14.800 1.00 21.32 O ATOM 0 H GLU A 133 11.887 -11.991 12.904 1.00 75.43 H new ATOM 0 HA GLU A 133 12.187 -13.768 15.153 1.00 50.41 H new ATOM 0 HB2 GLU A 133 10.025 -12.664 15.839 1.00 34.42 H new ATOM 0 HB3 GLU A 133 11.358 -11.560 15.567 1.00 34.42 H new ATOM 0 HG2 GLU A 133 10.384 -10.596 13.732 1.00 35.23 H new ATOM 0 HG3 GLU A 133 9.622 -12.085 13.208 1.00 35.23 H new ATOM 1959 N THR A 134 11.094 -15.709 13.882 1.00 42.20 N ATOM 1960 CA THR A 134 10.312 -16.872 13.485 1.00 34.42 C ATOM 1961 C THR A 134 9.655 -16.656 12.127 1.00 61.35 C ATOM 1962 O THR A 134 8.634 -17.270 11.814 1.00 12.03 O ATOM 1963 CB THR A 134 9.221 -17.197 14.524 1.00 42.23 C ATOM 1964 OG1 THR A 134 8.031 -16.456 14.232 1.00 71.42 O ATOM 1965 CG2 THR A 134 9.698 -16.866 15.930 1.00 31.50 C ATOM 0 H THR A 134 12.081 -15.903 14.052 1.00 42.20 H new ATOM 0 HA THR A 134 11.005 -17.711 13.421 1.00 34.42 H new ATOM 0 HB THR A 134 9.006 -18.264 14.472 1.00 42.23 H new ATOM 0 HG1 THR A 134 8.272 -15.552 13.940 1.00 71.42 H new ATOM 0 HG21 THR A 134 8.912 -17.104 16.646 1.00 31.50 H new ATOM 0 HG22 THR A 134 10.588 -17.452 16.160 1.00 31.50 H new ATOM 0 HG23 THR A 134 9.937 -15.804 15.993 1.00 31.50 H new ATOM 1973 N LEU A 135 10.247 -15.781 11.321 1.00 23.42 N ATOM 1974 CA LEU A 135 9.720 -15.485 9.994 1.00 51.42 C ATOM 1975 C LEU A 135 9.799 -16.711 9.090 1.00 55.20 C ATOM 1976 O LEU A 135 10.047 -17.823 9.555 1.00 23.14 O ATOM 1977 CB LEU A 135 10.491 -14.323 9.365 1.00 64.01 C ATOM 1978 CG LEU A 135 10.665 -13.081 10.240 1.00 41.14 C ATOM 1979 CD1 LEU A 135 11.434 -12.004 9.490 1.00 12.34 C ATOM 1980 CD2 LEU A 135 9.311 -12.555 10.693 1.00 3.35 C ATOM 0 H LEU A 135 11.092 -15.264 11.564 1.00 23.42 H new ATOM 0 HA LEU A 135 8.673 -15.203 10.101 1.00 51.42 H new ATOM 0 HB2 LEU A 135 11.479 -14.682 9.078 1.00 64.01 H new ATOM 0 HB3 LEU A 135 9.980 -14.028 8.448 1.00 64.01 H new ATOM 0 HG LEU A 135 11.239 -13.359 11.124 1.00 41.14 H new ATOM 0 HD11 LEU A 135 11.548 -11.128 10.128 1.00 12.34 H new ATOM 0 HD12 LEU A 135 12.418 -12.384 9.215 1.00 12.34 H new ATOM 0 HD13 LEU A 135 10.887 -11.728 8.588 1.00 12.34 H new ATOM 0 HD21 LEU A 135 9.453 -11.671 11.315 1.00 3.35 H new ATOM 0 HD22 LEU A 135 8.712 -12.293 9.821 1.00 3.35 H new ATOM 0 HD23 LEU A 135 8.796 -13.324 11.269 1.00 3.35 H new ATOM 1992 N PHE A 136 9.587 -16.500 7.795 1.00 12.42 N ATOM 1993 CA PHE A 136 9.635 -17.587 6.825 1.00 31.42 C ATOM 1994 C PHE A 136 10.762 -17.370 5.820 1.00 60.22 C ATOM 1995 O PHE A 136 10.533 -17.131 4.634 1.00 72.40 O ATOM 1996 CB PHE A 136 8.297 -17.704 6.091 1.00 23.35 C ATOM 1997 CG PHE A 136 7.244 -18.432 6.877 1.00 1.55 C ATOM 1998 CD1 PHE A 136 6.820 -17.948 8.105 1.00 74.32 C ATOM 1999 CD2 PHE A 136 6.678 -19.598 6.389 1.00 50.11 C ATOM 2000 CE1 PHE A 136 5.851 -18.616 8.830 1.00 22.03 C ATOM 2001 CE2 PHE A 136 5.709 -20.270 7.110 1.00 53.22 C ATOM 2002 CZ PHE A 136 5.294 -19.777 8.332 1.00 61.43 C ATOM 0 H PHE A 136 9.380 -15.586 7.393 1.00 12.42 H new ATOM 0 HA PHE A 136 9.827 -18.514 7.365 1.00 31.42 H new ATOM 0 HB2 PHE A 136 7.934 -16.704 5.852 1.00 23.35 H new ATOM 0 HB3 PHE A 136 8.455 -18.221 5.144 1.00 23.35 H new ATOM 0 HD1 PHE A 136 7.251 -17.040 8.499 1.00 74.32 H new ATOM 0 HD2 PHE A 136 6.998 -19.987 5.433 1.00 50.11 H new ATOM 0 HE1 PHE A 136 5.530 -18.230 9.786 1.00 22.03 H new ATOM 0 HE2 PHE A 136 5.277 -21.179 6.719 1.00 53.22 H new ATOM 0 HZ PHE A 136 4.535 -20.299 8.897 1.00 61.43 H new ATOM 2012 N PRO A 137 12.010 -17.454 6.304 1.00 62.22 N ATOM 2013 CA PRO A 137 13.198 -17.270 5.465 1.00 24.22 C ATOM 2014 C PRO A 137 13.398 -18.418 4.482 1.00 75.51 C ATOM 2015 O PRO A 137 13.613 -18.199 3.289 1.00 14.14 O ATOM 2016 CB PRO A 137 14.345 -17.229 6.479 1.00 72.13 C ATOM 2017 CG PRO A 137 13.839 -17.991 7.654 1.00 35.05 C ATOM 2018 CD PRO A 137 12.358 -17.736 7.707 1.00 54.12 C ATOM 0 HA PRO A 137 13.125 -16.376 4.846 1.00 24.22 H new ATOM 0 HB2 PRO A 137 15.249 -17.682 6.073 1.00 72.13 H new ATOM 0 HB3 PRO A 137 14.597 -16.204 6.751 1.00 72.13 H new ATOM 0 HG2 PRO A 137 14.048 -19.056 7.548 1.00 35.05 H new ATOM 0 HG3 PRO A 137 14.325 -17.661 8.572 1.00 35.05 H new ATOM 0 HD2 PRO A 137 11.815 -18.600 8.090 1.00 54.12 H new ATOM 0 HD3 PRO A 137 12.118 -16.895 8.357 1.00 54.12 H new ATOM 2026 N THR A 138 13.324 -19.645 4.989 1.00 62.30 N ATOM 2027 CA THR A 138 13.497 -20.828 4.156 1.00 61.44 C ATOM 2028 C THR A 138 12.604 -20.767 2.922 1.00 70.02 C ATOM 2029 O THR A 138 13.079 -20.538 1.809 1.00 30.12 O ATOM 2030 CB THR A 138 13.184 -22.118 4.938 1.00 1.43 C ATOM 2031 OG1 THR A 138 12.563 -21.794 6.187 1.00 3.24 O ATOM 2032 CG2 THR A 138 14.452 -22.920 5.189 1.00 1.43 C ATOM 0 H THR A 138 13.145 -19.845 5.973 1.00 62.30 H new ATOM 0 HA THR A 138 14.542 -20.845 3.846 1.00 61.44 H new ATOM 0 HB THR A 138 12.503 -22.724 4.340 1.00 1.43 H new ATOM 0 HG1 THR A 138 13.252 -21.570 6.847 1.00 3.24 H new ATOM 0 HG21 THR A 138 14.206 -23.826 5.743 1.00 1.43 H new ATOM 0 HG22 THR A 138 14.907 -23.189 4.236 1.00 1.43 H new ATOM 0 HG23 THR A 138 15.153 -22.320 5.769 1.00 1.43 H new ATOM 2040 N LYS A 139 11.307 -20.972 3.125 1.00 21.32 N ATOM 2041 CA LYS A 139 10.346 -20.938 2.030 1.00 75.54 C ATOM 2042 C LYS A 139 8.919 -21.071 2.553 1.00 1.13 C ATOM 2043 O LYS A 139 8.687 -21.051 3.762 1.00 20.14 O ATOM 2044 CB LYS A 139 10.640 -22.060 1.031 1.00 74.12 C ATOM 2045 CG LYS A 139 10.628 -23.446 1.652 1.00 61.11 C ATOM 2046 CD LYS A 139 9.972 -24.463 0.733 1.00 31.35 C ATOM 2047 CE LYS A 139 10.393 -25.883 1.083 1.00 52.44 C ATOM 2048 NZ LYS A 139 9.484 -26.895 0.478 1.00 73.30 N ATOM 0 H LYS A 139 10.897 -21.164 4.039 1.00 21.32 H new ATOM 0 HA LYS A 139 10.442 -19.976 1.526 1.00 75.54 H new ATOM 0 HB2 LYS A 139 9.902 -22.024 0.229 1.00 74.12 H new ATOM 0 HB3 LYS A 139 11.614 -21.883 0.576 1.00 74.12 H new ATOM 0 HG2 LYS A 139 11.650 -23.757 1.870 1.00 61.11 H new ATOM 0 HG3 LYS A 139 10.095 -23.415 2.602 1.00 61.11 H new ATOM 0 HD2 LYS A 139 8.888 -24.375 0.806 1.00 31.35 H new ATOM 0 HD3 LYS A 139 10.240 -24.247 -0.301 1.00 31.35 H new ATOM 0 HE2 LYS A 139 11.412 -26.056 0.736 1.00 52.44 H new ATOM 0 HE3 LYS A 139 10.401 -26.003 2.166 1.00 52.44 H new ATOM 0 HZ1 LYS A 139 9.804 -27.849 0.739 1.00 73.30 H new ATOM 0 HZ2 LYS A 139 8.516 -26.746 0.829 1.00 73.30 H new ATOM 0 HZ3 LYS A 139 9.496 -26.797 -0.557 1.00 73.30 H new TER 2062 LYS A 139