USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 122 THR OG1 : rot 36:sc= 0.234 USER MOD Set 1.2: A 124 ASN :FLIP amide:sc= 0.331 F(o=-1.7,f=0.57) USER MOD Set 2.1: A 29 TYR OH : rot 162:sc= 1.23 USER MOD Set 2.2: A 97 THR OG1 : rot 123:sc= 1.46 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 9 SER OG : rot 180:sc= -0.122 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0911 (180deg=-0.535) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0351) USER MOD Single : A 33 HIS : no HD1:sc= -1.22! C(o=-1.2!,f=-6!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.342 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot -17:sc= 0.926 USER MOD Single : A 54 SER OG : rot 180:sc= -0.232 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0294 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 63 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.15) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 80 ASN : amide:sc= -1.65 K(o=-1.7,f=-3.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0035 USER MOD Single : A 87 CYS SG : rot 70:sc= 0.221 USER MOD Single : A 89 HIS : +bothHN:sc= -0.0995 K(o=-0.099,f=-4.4!) USER MOD Single : A 90 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.58) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.85) USER MOD Single : A 109 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.018) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0136) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.72 K(o=-0.72,f=-2.8!) USER MOD Single : A 125 ASN : amide:sc= 0.104 K(o=0.1,f=-1) USER MOD Single : A 126 SER OG : rot 49:sc= 0.965 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc=-0.00033 X(o=-0.00033,f=-0.021) USER MOD Single : A 131 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.6!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 2.190 -5.854 -7.738 1.00 13.00 N ATOM 2 CA GLY A 2 0.803 -6.074 -8.101 1.00 45.03 C ATOM 3 C GLY A 2 -0.153 -5.232 -7.280 1.00 54.10 C ATOM 4 O GLY A 2 -0.416 -5.537 -6.117 1.00 53.01 O ATOM 0 HA2 GLY A 2 0.667 -5.846 -9.158 1.00 45.03 H new ATOM 0 HA3 GLY A 2 0.559 -7.128 -7.969 1.00 45.03 H new ATOM 8 N ALA A 3 -0.672 -4.169 -7.884 1.00 30.34 N ATOM 9 CA ALA A 3 -1.604 -3.280 -7.201 1.00 31.12 C ATOM 10 C ALA A 3 -2.820 -2.985 -8.072 1.00 4.10 C ATOM 11 O ALA A 3 -2.805 -3.228 -9.279 1.00 14.24 O ATOM 12 CB ALA A 3 -0.907 -1.986 -6.807 1.00 23.50 C ATOM 0 H ALA A 3 -0.463 -3.902 -8.846 1.00 30.34 H new ATOM 0 HA ALA A 3 -1.951 -3.782 -6.298 1.00 31.12 H new ATOM 0 HB1 ALA A 3 -1.615 -1.332 -6.298 1.00 23.50 H new ATOM 0 HB2 ALA A 3 -0.075 -2.210 -6.139 1.00 23.50 H new ATOM 0 HB3 ALA A 3 -0.531 -1.488 -7.701 1.00 23.50 H new ATOM 18 N ARG A 4 -3.872 -2.460 -7.453 1.00 32.50 N ATOM 19 CA ARG A 4 -5.098 -2.134 -8.172 1.00 72.31 C ATOM 20 C ARG A 4 -5.061 -0.697 -8.685 1.00 75.31 C ATOM 21 O ARG A 4 -4.032 -0.027 -8.608 1.00 12.44 O ATOM 22 CB ARG A 4 -6.314 -2.333 -7.266 1.00 13.22 C ATOM 23 CG ARG A 4 -7.396 -3.205 -7.882 1.00 32.11 C ATOM 24 CD ARG A 4 -7.379 -4.610 -7.299 1.00 14.54 C ATOM 25 NE ARG A 4 -8.202 -4.714 -6.097 1.00 50.52 N ATOM 26 CZ ARG A 4 -8.070 -5.681 -5.198 1.00 72.15 C ATOM 27 NH1 ARG A 4 -7.153 -6.625 -5.363 1.00 0.14 N1+ ATOM 28 NH2 ARG A 4 -8.857 -5.708 -4.130 1.00 53.45 N ATOM 0 H ARG A 4 -3.900 -2.251 -6.455 1.00 32.50 H new ATOM 0 HA ARG A 4 -5.178 -2.805 -9.027 1.00 72.31 H new ATOM 0 HB2 ARG A 4 -5.988 -2.782 -6.328 1.00 13.22 H new ATOM 0 HB3 ARG A 4 -6.739 -1.359 -7.023 1.00 13.22 H new ATOM 0 HG2 ARG A 4 -8.372 -2.751 -7.711 1.00 32.11 H new ATOM 0 HG3 ARG A 4 -7.253 -3.256 -8.961 1.00 32.11 H new ATOM 0 HD2 ARG A 4 -7.738 -5.317 -8.047 1.00 14.54 H new ATOM 0 HD3 ARG A 4 -6.353 -4.891 -7.061 1.00 14.54 H new ATOM 0 HE ARG A 4 -8.918 -4.004 -5.940 1.00 50.52 H new ATOM 0 HH11 ARG A 4 -6.546 -6.609 -6.183 1.00 0.14 H new ATOM 0 HH12 ARG A 4 -7.054 -7.367 -4.670 1.00 0.14 H new ATOM 0 HH21 ARG A 4 -9.564 -4.985 -3.999 1.00 53.45 H new ATOM 0 HH22 ARG A 4 -8.755 -6.452 -3.440 1.00 53.45 H new ATOM 42 N ALA A 5 -6.190 -0.232 -9.208 1.00 50.43 N ATOM 43 CA ALA A 5 -6.288 1.125 -9.732 1.00 72.02 C ATOM 44 C ALA A 5 -7.581 1.795 -9.282 1.00 54.44 C ATOM 45 O ALA A 5 -8.635 1.602 -9.888 1.00 53.30 O ATOM 46 CB ALA A 5 -6.199 1.111 -11.250 1.00 4.15 C ATOM 0 H ALA A 5 -7.050 -0.775 -9.280 1.00 50.43 H new ATOM 0 HA ALA A 5 -5.453 1.703 -9.335 1.00 72.02 H new ATOM 0 HB1 ALA A 5 -6.274 2.131 -11.628 1.00 4.15 H new ATOM 0 HB2 ALA A 5 -5.245 0.680 -11.555 1.00 4.15 H new ATOM 0 HB3 ALA A 5 -7.014 0.513 -11.657 1.00 4.15 H new ATOM 52 N SER A 6 -7.494 2.583 -8.215 1.00 14.22 N ATOM 53 CA SER A 6 -8.659 3.279 -7.680 1.00 12.34 C ATOM 54 C SER A 6 -8.620 4.761 -8.042 1.00 31.44 C ATOM 55 O SER A 6 -8.146 5.590 -7.266 1.00 51.23 O ATOM 56 CB SER A 6 -8.724 3.116 -6.161 1.00 35.21 C ATOM 57 OG SER A 6 -7.426 3.009 -5.603 1.00 12.41 O ATOM 0 H SER A 6 -6.628 2.756 -7.704 1.00 14.22 H new ATOM 0 HA SER A 6 -9.551 2.837 -8.124 1.00 12.34 H new ATOM 0 HB2 SER A 6 -9.242 3.969 -5.723 1.00 35.21 H new ATOM 0 HB3 SER A 6 -9.305 2.228 -5.912 1.00 35.21 H new ATOM 0 HG SER A 6 -7.495 2.907 -4.631 1.00 12.41 H new ATOM 63 N VAL A 7 -9.121 5.086 -9.230 1.00 2.30 N ATOM 64 CA VAL A 7 -9.146 6.468 -9.696 1.00 33.43 C ATOM 65 C VAL A 7 -10.296 7.242 -9.063 1.00 51.04 C ATOM 66 O VAL A 7 -10.081 8.223 -8.350 1.00 60.12 O ATOM 67 CB VAL A 7 -9.276 6.540 -11.230 1.00 74.23 C ATOM 68 CG1 VAL A 7 -9.315 7.987 -11.695 1.00 61.11 C ATOM 69 CG2 VAL A 7 -8.135 5.787 -11.896 1.00 63.25 C ATOM 0 H VAL A 7 -9.515 4.412 -9.887 1.00 2.30 H new ATOM 0 HA VAL A 7 -8.200 6.920 -9.396 1.00 33.43 H new ATOM 0 HB VAL A 7 -10.213 6.065 -11.521 1.00 74.23 H new ATOM 0 HG11 VAL A 7 -9.407 8.018 -12.781 1.00 61.11 H new ATOM 0 HG12 VAL A 7 -10.170 8.491 -11.244 1.00 61.11 H new ATOM 0 HG13 VAL A 7 -8.396 8.491 -11.394 1.00 61.11 H new ATOM 0 HG21 VAL A 7 -8.242 5.848 -12.979 1.00 63.25 H new ATOM 0 HG22 VAL A 7 -7.184 6.231 -11.600 1.00 63.25 H new ATOM 0 HG23 VAL A 7 -8.159 4.742 -11.587 1.00 63.25 H new ATOM 79 N LEU A 8 -11.519 6.794 -9.325 1.00 24.21 N ATOM 80 CA LEU A 8 -12.705 7.444 -8.780 1.00 43.33 C ATOM 81 C LEU A 8 -13.135 6.784 -7.474 1.00 45.15 C ATOM 82 O LEU A 8 -13.120 5.560 -7.351 1.00 32.50 O ATOM 83 CB LEU A 8 -13.851 7.392 -9.794 1.00 15.24 C ATOM 84 CG LEU A 8 -13.633 8.168 -11.093 1.00 53.44 C ATOM 85 CD1 LEU A 8 -14.888 8.131 -11.952 1.00 21.03 C ATOM 86 CD2 LEU A 8 -13.231 9.605 -10.795 1.00 53.24 C ATOM 0 H LEU A 8 -11.715 5.983 -9.912 1.00 24.21 H new ATOM 0 HA LEU A 8 -12.457 8.485 -8.575 1.00 43.33 H new ATOM 0 HB2 LEU A 8 -14.040 6.348 -10.045 1.00 15.24 H new ATOM 0 HB3 LEU A 8 -14.752 7.773 -9.314 1.00 15.24 H new ATOM 0 HG LEU A 8 -12.823 7.693 -11.647 1.00 53.44 H new ATOM 0 HD11 LEU A 8 -14.715 8.688 -12.873 1.00 21.03 H new ATOM 0 HD12 LEU A 8 -15.133 7.097 -12.194 1.00 21.03 H new ATOM 0 HD13 LEU A 8 -15.716 8.581 -11.405 1.00 21.03 H new ATOM 0 HD21 LEU A 8 -13.080 10.142 -11.731 1.00 53.24 H new ATOM 0 HD22 LEU A 8 -14.019 10.092 -10.220 1.00 53.24 H new ATOM 0 HD23 LEU A 8 -12.305 9.612 -10.219 1.00 53.24 H new ATOM 98 N SER A 9 -13.523 7.605 -6.503 1.00 21.01 N ATOM 99 CA SER A 9 -13.957 7.102 -5.204 1.00 64.43 C ATOM 100 C SER A 9 -15.397 6.603 -5.270 1.00 74.14 C ATOM 101 O SER A 9 -16.013 6.585 -6.334 1.00 42.32 O ATOM 102 CB SER A 9 -13.831 8.194 -4.142 1.00 20.23 C ATOM 103 OG SER A 9 -15.055 8.887 -3.975 1.00 2.21 O ATOM 0 H SER A 9 -13.546 8.621 -6.591 1.00 21.01 H new ATOM 0 HA SER A 9 -13.313 6.266 -4.931 1.00 64.43 H new ATOM 0 HB2 SER A 9 -13.529 7.750 -3.194 1.00 20.23 H new ATOM 0 HB3 SER A 9 -13.048 8.896 -4.429 1.00 20.23 H new ATOM 0 HG SER A 9 -14.948 9.579 -3.289 1.00 2.21 H new ATOM 109 N GLY A 10 -15.929 6.198 -4.120 1.00 60.35 N ATOM 110 CA GLY A 10 -17.292 5.703 -4.067 1.00 53.34 C ATOM 111 C GLY A 10 -18.298 6.724 -4.562 1.00 64.24 C ATOM 112 O GLY A 10 -19.136 6.418 -5.410 1.00 12.42 O ATOM 0 H GLY A 10 -15.440 6.204 -3.225 1.00 60.35 H new ATOM 0 HA2 GLY A 10 -17.371 4.798 -4.669 1.00 53.34 H new ATOM 0 HA3 GLY A 10 -17.535 5.425 -3.041 1.00 53.34 H new ATOM 116 N GLY A 11 -18.217 7.939 -4.030 1.00 13.33 N ATOM 117 CA GLY A 11 -19.135 8.989 -4.435 1.00 13.33 C ATOM 118 C GLY A 11 -18.983 9.360 -5.896 1.00 52.24 C ATOM 119 O GLY A 11 -19.974 9.564 -6.597 1.00 53.24 O ATOM 0 H GLY A 11 -17.533 8.216 -3.326 1.00 13.33 H new ATOM 0 HA2 GLY A 11 -20.159 8.663 -4.251 1.00 13.33 H new ATOM 0 HA3 GLY A 11 -18.966 9.873 -3.819 1.00 13.33 H new ATOM 123 N GLU A 12 -17.740 9.449 -6.357 1.00 33.35 N ATOM 124 CA GLU A 12 -17.462 9.801 -7.745 1.00 50.04 C ATOM 125 C GLU A 12 -17.941 8.702 -8.690 1.00 2.42 C ATOM 126 O GLU A 12 -18.464 8.981 -9.769 1.00 43.20 O ATOM 127 CB GLU A 12 -15.966 10.045 -7.943 1.00 32.24 C ATOM 128 CG GLU A 12 -15.340 10.908 -6.861 1.00 70.31 C ATOM 129 CD GLU A 12 -13.895 11.261 -7.158 1.00 13.02 C ATOM 130 OE1 GLU A 12 -13.015 10.408 -6.919 1.00 71.22 O ATOM 131 OE2 GLU A 12 -13.645 12.389 -7.630 1.00 11.23 O1- ATOM 0 H GLU A 12 -16.909 9.282 -5.790 1.00 33.35 H new ATOM 0 HA GLU A 12 -18.004 10.718 -7.977 1.00 50.04 H new ATOM 0 HB2 GLU A 12 -15.451 9.085 -7.973 1.00 32.24 H new ATOM 0 HB3 GLU A 12 -15.809 10.521 -8.911 1.00 32.24 H new ATOM 0 HG2 GLU A 12 -15.919 11.825 -6.753 1.00 70.31 H new ATOM 0 HG3 GLU A 12 -15.393 10.383 -5.907 1.00 70.31 H new ATOM 138 N LEU A 13 -17.756 7.454 -8.277 1.00 42.22 N ATOM 139 CA LEU A 13 -18.167 6.312 -9.086 1.00 63.43 C ATOM 140 C LEU A 13 -19.658 6.379 -9.406 1.00 53.24 C ATOM 141 O LEU A 13 -20.080 6.062 -10.518 1.00 43.50 O ATOM 142 CB LEU A 13 -17.848 5.005 -8.360 1.00 54.42 C ATOM 143 CG LEU A 13 -17.858 3.739 -9.218 1.00 1.44 C ATOM 144 CD1 LEU A 13 -16.790 3.820 -10.299 1.00 75.24 C ATOM 145 CD2 LEU A 13 -17.651 2.505 -8.352 1.00 10.52 C ATOM 0 H LEU A 13 -17.324 7.207 -7.387 1.00 42.22 H new ATOM 0 HA LEU A 13 -17.611 6.344 -10.023 1.00 63.43 H new ATOM 0 HB2 LEU A 13 -16.865 5.100 -7.899 1.00 54.42 H new ATOM 0 HB3 LEU A 13 -18.568 4.877 -7.551 1.00 54.42 H new ATOM 0 HG LEU A 13 -18.831 3.658 -9.702 1.00 1.44 H new ATOM 0 HD11 LEU A 13 -16.811 2.911 -10.900 1.00 75.24 H new ATOM 0 HD12 LEU A 13 -16.983 4.682 -10.938 1.00 75.24 H new ATOM 0 HD13 LEU A 13 -15.809 3.925 -9.835 1.00 75.24 H new ATOM 0 HD21 LEU A 13 -17.661 1.614 -8.980 1.00 10.52 H new ATOM 0 HD22 LEU A 13 -16.692 2.577 -7.840 1.00 10.52 H new ATOM 0 HD23 LEU A 13 -18.452 2.439 -7.615 1.00 10.52 H new ATOM 157 N ASP A 14 -20.449 6.796 -8.423 1.00 62.44 N ATOM 158 CA ASP A 14 -21.893 6.908 -8.599 1.00 34.11 C ATOM 159 C ASP A 14 -22.227 7.819 -9.777 1.00 71.54 C ATOM 160 O ASP A 14 -22.924 7.415 -10.708 1.00 4.40 O ATOM 161 CB ASP A 14 -22.543 7.444 -7.323 1.00 65.13 C ATOM 162 CG ASP A 14 -24.031 7.158 -7.268 1.00 71.20 C ATOM 163 OD1 ASP A 14 -24.786 7.794 -8.033 1.00 40.04 O ATOM 164 OD2 ASP A 14 -24.440 6.297 -6.461 1.00 5.34 O1- ATOM 0 H ASP A 14 -20.115 7.062 -7.497 1.00 62.44 H new ATOM 0 HA ASP A 14 -22.288 5.914 -8.808 1.00 34.11 H new ATOM 0 HB2 ASP A 14 -22.058 6.997 -6.456 1.00 65.13 H new ATOM 0 HB3 ASP A 14 -22.380 8.520 -7.260 1.00 65.13 H new ATOM 169 N LYS A 15 -21.726 9.048 -9.728 1.00 73.11 N ATOM 170 CA LYS A 15 -21.970 10.017 -10.790 1.00 22.01 C ATOM 171 C LYS A 15 -21.334 9.561 -12.099 1.00 11.30 C ATOM 172 O LYS A 15 -21.931 9.691 -13.168 1.00 11.54 O ATOM 173 CB LYS A 15 -21.421 11.389 -10.393 1.00 31.34 C ATOM 174 CG LYS A 15 -22.241 12.087 -9.322 1.00 72.32 C ATOM 175 CD LYS A 15 -21.381 12.486 -8.134 1.00 44.15 C ATOM 176 CE LYS A 15 -22.197 12.540 -6.850 1.00 4.02 C ATOM 177 NZ LYS A 15 -23.148 13.686 -6.846 1.00 12.00 N1+ ATOM 0 H LYS A 15 -21.148 9.397 -8.964 1.00 73.11 H new ATOM 0 HA LYS A 15 -23.047 10.093 -10.938 1.00 22.01 H new ATOM 0 HB2 LYS A 15 -20.398 11.272 -10.036 1.00 31.34 H new ATOM 0 HB3 LYS A 15 -21.379 12.024 -11.278 1.00 31.34 H new ATOM 0 HG2 LYS A 15 -22.714 12.974 -9.744 1.00 72.32 H new ATOM 0 HG3 LYS A 15 -23.042 11.427 -8.988 1.00 72.32 H new ATOM 0 HD2 LYS A 15 -20.565 11.773 -8.018 1.00 44.15 H new ATOM 0 HD3 LYS A 15 -20.929 13.460 -8.321 1.00 44.15 H new ATOM 0 HE2 LYS A 15 -22.750 11.608 -6.732 1.00 4.02 H new ATOM 0 HE3 LYS A 15 -21.525 12.622 -5.996 1.00 4.02 H new ATOM 0 HZ1 LYS A 15 -23.685 13.688 -5.955 1.00 12.00 H new ATOM 0 HZ2 LYS A 15 -22.618 14.577 -6.933 1.00 12.00 H new ATOM 0 HZ3 LYS A 15 -23.806 13.594 -7.646 1.00 12.00 H new ATOM 191 N TRP A 16 -20.121 9.026 -12.007 1.00 45.52 N ATOM 192 CA TRP A 16 -19.405 8.550 -13.185 1.00 3.51 C ATOM 193 C TRP A 16 -20.271 7.594 -13.999 1.00 15.11 C ATOM 194 O TRP A 16 -20.359 7.710 -15.221 1.00 10.13 O ATOM 195 CB TRP A 16 -18.106 7.857 -12.772 1.00 70.04 C ATOM 196 CG TRP A 16 -17.399 7.191 -13.913 1.00 65.33 C ATOM 197 CD1 TRP A 16 -17.484 5.878 -14.276 1.00 61.44 C ATOM 198 CD2 TRP A 16 -16.498 7.808 -14.840 1.00 74.31 C ATOM 199 NE1 TRP A 16 -16.690 5.640 -15.372 1.00 60.33 N ATOM 200 CE2 TRP A 16 -16.076 6.808 -15.738 1.00 14.23 C ATOM 201 CE3 TRP A 16 -16.009 9.106 -14.999 1.00 43.50 C ATOM 202 CZ2 TRP A 16 -15.187 7.069 -16.776 1.00 24.45 C ATOM 203 CZ3 TRP A 16 -15.127 9.364 -16.032 1.00 11.54 C ATOM 204 CH2 TRP A 16 -14.723 8.349 -16.910 1.00 2.14 C ATOM 0 H TRP A 16 -19.614 8.911 -11.130 1.00 45.52 H new ATOM 0 HA TRP A 16 -19.166 9.412 -13.808 1.00 3.51 H new ATOM 0 HB2 TRP A 16 -17.439 8.591 -12.320 1.00 70.04 H new ATOM 0 HB3 TRP A 16 -18.327 7.113 -12.007 1.00 70.04 H new ATOM 0 HD1 TRP A 16 -18.087 5.135 -13.775 1.00 61.44 H new ATOM 0 HE1 TRP A 16 -16.576 4.739 -15.837 1.00 60.33 H new ATOM 0 HE3 TRP A 16 -16.314 9.894 -14.327 1.00 43.50 H new ATOM 0 HZ2 TRP A 16 -14.874 6.288 -17.453 1.00 24.45 H new ATOM 0 HZ3 TRP A 16 -14.743 10.365 -16.165 1.00 11.54 H new ATOM 0 HH2 TRP A 16 -14.033 8.582 -17.707 1.00 2.14 H new ATOM 215 N GLU A 17 -20.908 6.650 -13.313 1.00 31.04 N ATOM 216 CA GLU A 17 -21.765 5.674 -13.974 1.00 74.23 C ATOM 217 C GLU A 17 -22.967 6.355 -14.620 1.00 63.23 C ATOM 218 O GLU A 17 -23.535 5.851 -15.590 1.00 22.41 O ATOM 219 CB GLU A 17 -22.240 4.618 -12.972 1.00 23.33 C ATOM 220 CG GLU A 17 -21.203 3.547 -12.680 1.00 74.14 C ATOM 221 CD GLU A 17 -21.810 2.300 -12.065 1.00 31.22 C ATOM 222 OE1 GLU A 17 -22.428 1.511 -12.810 1.00 0.44 O1- ATOM 223 OE2 GLU A 17 -21.665 2.114 -10.839 1.00 34.41 O ATOM 0 H GLU A 17 -20.847 6.541 -12.301 1.00 31.04 H new ATOM 0 HA GLU A 17 -21.182 5.187 -14.756 1.00 74.23 H new ATOM 0 HB2 GLU A 17 -22.513 5.111 -12.039 1.00 23.33 H new ATOM 0 HB3 GLU A 17 -23.142 4.143 -13.358 1.00 23.33 H new ATOM 0 HG2 GLU A 17 -20.692 3.280 -13.605 1.00 74.14 H new ATOM 0 HG3 GLU A 17 -20.449 3.951 -12.004 1.00 74.14 H new ATOM 230 N LYS A 18 -23.352 7.504 -14.075 1.00 50.12 N ATOM 231 CA LYS A 18 -24.487 8.257 -14.597 1.00 51.22 C ATOM 232 C LYS A 18 -24.101 9.016 -15.862 1.00 24.34 C ATOM 233 O LYS A 18 -24.843 9.024 -16.844 1.00 4.42 O ATOM 234 CB LYS A 18 -25.006 9.234 -13.541 1.00 14.43 C ATOM 235 CG LYS A 18 -26.307 8.796 -12.892 1.00 75.33 C ATOM 236 CD LYS A 18 -26.838 9.851 -11.937 1.00 41.20 C ATOM 237 CE LYS A 18 -27.825 9.259 -10.943 1.00 71.34 C ATOM 238 NZ LYS A 18 -27.171 8.286 -10.024 1.00 24.13 N1+ ATOM 0 H LYS A 18 -22.895 7.935 -13.271 1.00 50.12 H new ATOM 0 HA LYS A 18 -25.277 7.549 -14.847 1.00 51.22 H new ATOM 0 HB2 LYS A 18 -24.248 9.356 -12.768 1.00 14.43 H new ATOM 0 HB3 LYS A 18 -25.151 10.211 -14.002 1.00 14.43 H new ATOM 0 HG2 LYS A 18 -27.050 8.596 -13.664 1.00 75.33 H new ATOM 0 HG3 LYS A 18 -26.149 7.862 -12.352 1.00 75.33 H new ATOM 0 HD2 LYS A 18 -26.007 10.307 -11.398 1.00 41.20 H new ATOM 0 HD3 LYS A 18 -27.324 10.645 -12.504 1.00 41.20 H new ATOM 0 HE2 LYS A 18 -28.278 10.061 -10.360 1.00 71.34 H new ATOM 0 HE3 LYS A 18 -28.631 8.763 -11.483 1.00 71.34 H new ATOM 0 HZ1 LYS A 18 -27.732 8.201 -9.152 1.00 24.13 H new ATOM 0 HZ2 LYS A 18 -27.110 7.357 -10.488 1.00 24.13 H new ATOM 0 HZ3 LYS A 18 -26.214 8.619 -9.789 1.00 24.13 H new ATOM 252 N ILE A 19 -22.934 9.652 -15.832 1.00 60.42 N ATOM 253 CA ILE A 19 -22.448 10.411 -16.977 1.00 64.43 C ATOM 254 C ILE A 19 -22.478 9.569 -18.249 1.00 53.32 C ATOM 255 O ILE A 19 -22.036 8.421 -18.255 1.00 72.44 O ATOM 256 CB ILE A 19 -21.013 10.921 -16.747 1.00 24.21 C ATOM 257 CG1 ILE A 19 -20.956 11.799 -15.496 1.00 73.01 C ATOM 258 CG2 ILE A 19 -20.524 11.692 -17.964 1.00 43.23 C ATOM 259 CD1 ILE A 19 -19.557 11.981 -14.949 1.00 41.32 C ATOM 0 H ILE A 19 -22.308 9.656 -15.027 1.00 60.42 H new ATOM 0 HA ILE A 19 -23.115 11.265 -17.094 1.00 64.43 H new ATOM 0 HB ILE A 19 -20.357 10.063 -16.597 1.00 24.21 H new ATOM 0 HG12 ILE A 19 -21.376 12.777 -15.729 1.00 73.01 H new ATOM 0 HG13 ILE A 19 -21.585 11.358 -14.723 1.00 73.01 H new ATOM 0 HG21 ILE A 19 -19.509 12.046 -17.786 1.00 43.23 H new ATOM 0 HG22 ILE A 19 -20.533 11.039 -18.836 1.00 43.23 H new ATOM 0 HG23 ILE A 19 -21.180 12.544 -18.142 1.00 43.23 H new ATOM 0 HD11 ILE A 19 -19.592 12.614 -14.063 1.00 41.32 H new ATOM 0 HD12 ILE A 19 -19.141 11.009 -14.684 1.00 41.32 H new ATOM 0 HD13 ILE A 19 -18.929 12.451 -15.706 1.00 41.32 H new ATOM 271 N ARG A 20 -23.001 10.148 -19.324 1.00 45.44 N ATOM 272 CA ARG A 20 -23.089 9.452 -20.602 1.00 54.20 C ATOM 273 C ARG A 20 -21.880 9.768 -21.476 1.00 45.13 C ATOM 274 O ARG A 20 -21.205 10.780 -21.280 1.00 30.33 O ATOM 275 CB ARG A 20 -24.377 9.841 -21.331 1.00 31.31 C ATOM 276 CG ARG A 20 -25.640 9.383 -20.622 1.00 63.35 C ATOM 277 CD ARG A 20 -26.450 10.564 -20.109 1.00 32.13 C ATOM 278 NE ARG A 20 -27.185 10.236 -18.891 1.00 54.33 N ATOM 279 CZ ARG A 20 -27.942 11.107 -18.232 1.00 71.33 C ATOM 280 NH1 ARG A 20 -28.063 12.351 -18.673 1.00 23.03 N1+ ATOM 281 NH2 ARG A 20 -28.581 10.733 -17.131 1.00 72.23 N ATOM 0 H ARG A 20 -23.371 11.099 -19.336 1.00 45.44 H new ATOM 0 HA ARG A 20 -23.102 8.380 -20.405 1.00 54.20 H new ATOM 0 HB2 ARG A 20 -24.407 10.925 -21.445 1.00 31.31 H new ATOM 0 HB3 ARG A 20 -24.359 9.416 -22.334 1.00 31.31 H new ATOM 0 HG2 ARG A 20 -26.249 8.792 -21.306 1.00 63.35 H new ATOM 0 HG3 ARG A 20 -25.375 8.732 -19.789 1.00 63.35 H new ATOM 0 HD2 ARG A 20 -25.783 11.404 -19.915 1.00 32.13 H new ATOM 0 HD3 ARG A 20 -27.151 10.885 -20.880 1.00 32.13 H new ATOM 0 HE ARG A 20 -27.114 9.286 -18.526 1.00 54.33 H new ATOM 0 HH11 ARG A 20 -27.575 12.642 -19.520 1.00 23.03 H new ATOM 0 HH12 ARG A 20 -28.645 13.018 -18.165 1.00 23.03 H new ATOM 0 HH21 ARG A 20 -28.491 9.776 -16.790 1.00 72.23 H new ATOM 0 HH22 ARG A 20 -29.162 11.402 -16.626 1.00 72.23 H new ATOM 295 N LEU A 21 -21.612 8.897 -22.443 1.00 33.13 N ATOM 296 CA LEU A 21 -20.484 9.082 -23.349 1.00 21.12 C ATOM 297 C LEU A 21 -20.799 10.139 -24.402 1.00 21.24 C ATOM 298 O LEU A 21 -20.028 11.077 -24.605 1.00 62.32 O ATOM 299 CB LEU A 21 -20.127 7.759 -24.028 1.00 61.23 C ATOM 300 CG LEU A 21 -20.125 6.522 -23.129 1.00 64.40 C ATOM 301 CD1 LEU A 21 -20.001 5.256 -23.963 1.00 4.40 C ATOM 302 CD2 LEU A 21 -18.997 6.604 -22.111 1.00 3.11 C ATOM 0 H LEU A 21 -22.161 8.056 -22.620 1.00 33.13 H new ATOM 0 HA LEU A 21 -19.631 9.423 -22.762 1.00 21.12 H new ATOM 0 HB2 LEU A 21 -20.831 7.590 -24.843 1.00 61.23 H new ATOM 0 HB3 LEU A 21 -19.139 7.859 -24.477 1.00 61.23 H new ATOM 0 HG LEU A 21 -21.072 6.487 -22.590 1.00 64.40 H new ATOM 0 HD11 LEU A 21 -20.001 4.386 -23.306 1.00 4.40 H new ATOM 0 HD12 LEU A 21 -20.843 5.190 -24.652 1.00 4.40 H new ATOM 0 HD13 LEU A 21 -19.070 5.283 -24.529 1.00 4.40 H new ATOM 0 HD21 LEU A 21 -19.011 5.715 -21.480 1.00 3.11 H new ATOM 0 HD22 LEU A 21 -18.041 6.665 -22.631 1.00 3.11 H new ATOM 0 HD23 LEU A 21 -19.130 7.491 -21.492 1.00 3.11 H new ATOM 314 N ARG A 22 -21.939 9.982 -25.068 1.00 31.30 N ATOM 315 CA ARG A 22 -22.357 10.923 -26.100 1.00 63.23 C ATOM 316 C ARG A 22 -23.532 11.769 -25.620 1.00 43.13 C ATOM 317 O ARG A 22 -24.260 11.398 -24.698 1.00 41.22 O ATOM 318 CB ARG A 22 -22.741 10.174 -27.377 1.00 4.25 C ATOM 319 CG ARG A 22 -21.582 9.980 -28.341 1.00 23.31 C ATOM 320 CD ARG A 22 -22.060 9.935 -29.784 1.00 21.20 C ATOM 321 NE ARG A 22 -21.056 9.358 -30.676 1.00 14.20 N ATOM 322 CZ ARG A 22 -21.293 9.048 -31.945 1.00 32.34 C ATOM 323 NH1 ARG A 22 -22.491 9.259 -32.471 1.00 23.11 N1+ ATOM 324 NH2 ARG A 22 -20.328 8.525 -32.692 1.00 12.50 N ATOM 0 H ARG A 22 -22.589 9.212 -24.911 1.00 31.30 H new ATOM 0 HA ARG A 22 -21.518 11.586 -26.314 1.00 63.23 H new ATOM 0 HB2 ARG A 22 -23.146 9.198 -27.108 1.00 4.25 H new ATOM 0 HB3 ARG A 22 -23.536 10.721 -27.884 1.00 4.25 H new ATOM 0 HG2 ARG A 22 -20.866 10.792 -28.219 1.00 23.31 H new ATOM 0 HG3 ARG A 22 -21.058 9.055 -28.101 1.00 23.31 H new ATOM 0 HD2 ARG A 22 -22.977 9.349 -29.844 1.00 21.20 H new ATOM 0 HD3 ARG A 22 -22.304 10.944 -30.117 1.00 21.20 H new ATOM 0 HE ARG A 22 -20.123 9.184 -30.303 1.00 14.20 H new ATOM 0 HH11 ARG A 22 -23.235 9.661 -31.900 1.00 23.11 H new ATOM 0 HH12 ARG A 22 -22.669 9.020 -33.446 1.00 23.11 H new ATOM 0 HH21 ARG A 22 -19.405 8.361 -32.291 1.00 12.50 H new ATOM 0 HH22 ARG A 22 -20.510 8.287 -33.667 1.00 12.50 H new ATOM 338 N PRO A 23 -23.724 12.933 -26.259 1.00 14.43 N ATOM 339 CA PRO A 23 -24.810 13.855 -25.913 1.00 21.43 C ATOM 340 C PRO A 23 -26.181 13.307 -26.297 1.00 2.25 C ATOM 341 O PRO A 23 -27.134 13.400 -25.526 1.00 62.42 O ATOM 342 CB PRO A 23 -24.486 15.107 -26.734 1.00 60.21 C ATOM 343 CG PRO A 23 -23.685 14.608 -27.886 1.00 72.42 C ATOM 344 CD PRO A 23 -22.896 13.437 -27.366 1.00 13.34 C ATOM 0 HA PRO A 23 -24.866 14.034 -24.839 1.00 21.43 H new ATOM 0 HB2 PRO A 23 -25.395 15.606 -27.070 1.00 60.21 H new ATOM 0 HB3 PRO A 23 -23.924 15.832 -26.145 1.00 60.21 H new ATOM 0 HG2 PRO A 23 -24.332 14.307 -28.710 1.00 72.42 H new ATOM 0 HG3 PRO A 23 -23.023 15.386 -28.267 1.00 72.42 H new ATOM 0 HD2 PRO A 23 -22.748 12.679 -28.135 1.00 13.34 H new ATOM 0 HD3 PRO A 23 -21.907 13.740 -27.023 1.00 13.34 H new ATOM 352 N GLY A 24 -26.270 12.736 -27.495 1.00 54.04 N ATOM 353 CA GLY A 24 -27.528 12.181 -27.959 1.00 74.41 C ATOM 354 C GLY A 24 -27.503 10.666 -28.028 1.00 51.12 C ATOM 355 O GLY A 24 -28.273 10.059 -28.770 1.00 72.43 O ATOM 0 H GLY A 24 -25.494 12.648 -28.151 1.00 54.04 H new ATOM 0 HA2 GLY A 24 -28.330 12.498 -27.292 1.00 74.41 H new ATOM 0 HA3 GLY A 24 -27.757 12.583 -28.946 1.00 74.41 H new ATOM 359 N GLY A 25 -26.614 10.054 -27.251 1.00 51.03 N ATOM 360 CA GLY A 25 -26.507 8.607 -27.242 1.00 65.45 C ATOM 361 C GLY A 25 -27.438 7.963 -26.235 1.00 40.00 C ATOM 362 O GLY A 25 -28.269 8.638 -25.626 1.00 74.51 O ATOM 0 H GLY A 25 -25.966 10.535 -26.627 1.00 51.03 H new ATOM 0 HA2 GLY A 25 -26.732 8.223 -28.237 1.00 65.45 H new ATOM 0 HA3 GLY A 25 -25.479 8.323 -27.015 1.00 65.45 H new ATOM 366 N LYS A 26 -27.301 6.654 -26.058 1.00 31.50 N ATOM 367 CA LYS A 26 -28.136 5.916 -25.117 1.00 13.21 C ATOM 368 C LYS A 26 -27.289 5.002 -24.237 1.00 2.11 C ATOM 369 O LYS A 26 -27.764 3.976 -23.751 1.00 61.42 O ATOM 370 CB LYS A 26 -29.182 5.091 -25.869 1.00 23.21 C ATOM 371 CG LYS A 26 -30.460 4.864 -25.081 1.00 73.22 C ATOM 372 CD LYS A 26 -30.705 3.385 -24.830 1.00 12.31 C ATOM 373 CE LYS A 26 -31.946 3.162 -23.979 1.00 44.11 C ATOM 374 NZ LYS A 26 -31.675 2.255 -22.830 1.00 60.34 N1+ ATOM 0 H LYS A 26 -26.619 6.081 -26.554 1.00 31.50 H new ATOM 0 HA LYS A 26 -28.643 6.638 -24.477 1.00 13.21 H new ATOM 0 HB2 LYS A 26 -29.426 5.595 -26.804 1.00 23.21 H new ATOM 0 HB3 LYS A 26 -28.751 4.125 -26.131 1.00 23.21 H new ATOM 0 HG2 LYS A 26 -30.400 5.391 -24.129 1.00 73.22 H new ATOM 0 HG3 LYS A 26 -31.304 5.286 -25.626 1.00 73.22 H new ATOM 0 HD2 LYS A 26 -30.818 2.867 -25.782 1.00 12.31 H new ATOM 0 HD3 LYS A 26 -29.838 2.951 -24.332 1.00 12.31 H new ATOM 0 HE2 LYS A 26 -32.309 4.120 -23.607 1.00 44.11 H new ATOM 0 HE3 LYS A 26 -32.739 2.739 -24.596 1.00 44.11 H new ATOM 0 HZ1 LYS A 26 -32.545 2.128 -22.275 1.00 60.34 H new ATOM 0 HZ2 LYS A 26 -31.353 1.332 -23.185 1.00 60.34 H new ATOM 0 HZ3 LYS A 26 -30.937 2.670 -22.227 1.00 60.34 H new ATOM 388 N LYS A 27 -26.031 5.382 -24.036 1.00 51.13 N ATOM 389 CA LYS A 27 -25.118 4.599 -23.213 1.00 33.03 C ATOM 390 C LYS A 27 -24.617 5.417 -22.027 1.00 14.21 C ATOM 391 O LYS A 27 -24.797 6.633 -21.981 1.00 50.13 O ATOM 392 CB LYS A 27 -23.931 4.115 -24.050 1.00 1.45 C ATOM 393 CG LYS A 27 -24.325 3.180 -25.180 1.00 2.25 C ATOM 394 CD LYS A 27 -23.118 2.765 -26.006 1.00 52.33 C ATOM 395 CE LYS A 27 -23.508 1.802 -27.116 1.00 1.10 C ATOM 396 NZ LYS A 27 -23.852 2.517 -28.376 1.00 41.04 N1+ ATOM 0 H LYS A 27 -25.621 6.228 -24.432 1.00 51.13 H new ATOM 0 HA LYS A 27 -25.663 3.735 -22.832 1.00 33.03 H new ATOM 0 HB2 LYS A 27 -23.415 4.980 -24.468 1.00 1.45 H new ATOM 0 HB3 LYS A 27 -23.221 3.605 -23.398 1.00 1.45 H new ATOM 0 HG2 LYS A 27 -24.808 2.294 -24.769 1.00 2.25 H new ATOM 0 HG3 LYS A 27 -25.055 3.672 -25.823 1.00 2.25 H new ATOM 0 HD2 LYS A 27 -22.650 3.649 -26.438 1.00 52.33 H new ATOM 0 HD3 LYS A 27 -22.377 2.296 -25.359 1.00 52.33 H new ATOM 0 HE2 LYS A 27 -22.686 1.112 -27.303 1.00 1.10 H new ATOM 0 HE3 LYS A 27 -24.360 1.203 -26.794 1.00 1.10 H new ATOM 0 HZ1 LYS A 27 -24.112 1.825 -29.108 1.00 41.04 H new ATOM 0 HZ2 LYS A 27 -24.653 3.157 -28.204 1.00 41.04 H new ATOM 0 HZ3 LYS A 27 -23.031 3.069 -28.697 1.00 41.04 H new ATOM 410 N GLN A 28 -23.987 4.741 -21.071 1.00 63.10 N ATOM 411 CA GLN A 28 -23.460 5.407 -19.885 1.00 64.31 C ATOM 412 C GLN A 28 -21.988 5.066 -19.680 1.00 2.41 C ATOM 413 O GLN A 28 -21.454 4.163 -20.323 1.00 34.20 O ATOM 414 CB GLN A 28 -24.266 5.006 -18.650 1.00 54.24 C ATOM 415 CG GLN A 28 -25.771 5.037 -18.867 1.00 62.11 C ATOM 416 CD GLN A 28 -26.367 3.652 -19.026 1.00 14.24 C ATOM 417 OE1 GLN A 28 -26.609 3.192 -20.142 1.00 44.12 O ATOM 418 NE2 GLN A 28 -26.604 2.978 -17.907 1.00 72.54 N ATOM 0 H GLN A 28 -23.829 3.734 -21.094 1.00 63.10 H new ATOM 0 HA GLN A 28 -23.548 6.483 -20.033 1.00 64.31 H new ATOM 0 HB2 GLN A 28 -23.972 4.002 -18.345 1.00 54.24 H new ATOM 0 HB3 GLN A 28 -24.012 5.675 -17.828 1.00 54.24 H new ATOM 0 HG2 GLN A 28 -26.246 5.538 -18.023 1.00 62.11 H new ATOM 0 HG3 GLN A 28 -25.994 5.628 -19.755 1.00 62.11 H new ATOM 0 HE21 GLN A 28 -26.388 3.398 -17.003 1.00 72.54 H new ATOM 0 HE22 GLN A 28 -27.002 2.040 -17.951 1.00 72.54 H new ATOM 427 N TYR A 29 -21.338 5.795 -18.780 1.00 13.23 N ATOM 428 CA TYR A 29 -19.926 5.572 -18.491 1.00 0.41 C ATOM 429 C TYR A 29 -19.744 4.395 -17.538 1.00 52.24 C ATOM 430 O TYR A 29 -20.603 4.121 -16.698 1.00 23.43 O ATOM 431 CB TYR A 29 -19.303 6.832 -17.888 1.00 11.44 C ATOM 432 CG TYR A 29 -18.512 7.652 -18.882 1.00 0.21 C ATOM 433 CD1 TYR A 29 -17.242 7.258 -19.283 1.00 33.52 C ATOM 434 CD2 TYR A 29 -19.035 8.821 -19.421 1.00 42.03 C ATOM 435 CE1 TYR A 29 -16.515 8.004 -20.191 1.00 64.12 C ATOM 436 CE2 TYR A 29 -18.316 9.572 -20.330 1.00 44.11 C ATOM 437 CZ TYR A 29 -17.057 9.160 -20.712 1.00 43.23 C ATOM 438 OH TYR A 29 -16.337 9.907 -21.617 1.00 61.53 O ATOM 0 H TYR A 29 -21.766 6.545 -18.238 1.00 13.23 H new ATOM 0 HA TYR A 29 -19.422 5.338 -19.429 1.00 0.41 H new ATOM 0 HB2 TYR A 29 -20.094 7.452 -17.466 1.00 11.44 H new ATOM 0 HB3 TYR A 29 -18.649 6.545 -17.064 1.00 11.44 H new ATOM 0 HD1 TYR A 29 -16.815 6.352 -18.878 1.00 33.52 H new ATOM 0 HD2 TYR A 29 -20.021 9.148 -19.124 1.00 42.03 H new ATOM 0 HE1 TYR A 29 -15.528 7.684 -20.491 1.00 64.12 H new ATOM 0 HE2 TYR A 29 -18.738 10.478 -20.740 1.00 44.11 H new ATOM 0 HH TYR A 29 -16.942 10.510 -22.098 1.00 61.53 H new ATOM 448 N LYS A 30 -18.619 3.703 -17.672 1.00 72.43 N ATOM 449 CA LYS A 30 -18.320 2.555 -16.823 1.00 2.15 C ATOM 450 C LYS A 30 -16.818 2.428 -16.589 1.00 3.31 C ATOM 451 O LYS A 30 -16.017 3.082 -17.259 1.00 74.54 O ATOM 452 CB LYS A 30 -18.859 1.271 -17.458 1.00 14.12 C ATOM 453 CG LYS A 30 -20.372 1.155 -17.405 1.00 73.53 C ATOM 454 CD LYS A 30 -20.857 -0.119 -18.078 1.00 62.20 C ATOM 455 CE LYS A 30 -22.192 -0.576 -17.510 1.00 0.44 C ATOM 456 NZ LYS A 30 -22.122 -1.963 -16.973 1.00 23.22 N1+ ATOM 0 H LYS A 30 -17.898 3.917 -18.361 1.00 72.43 H new ATOM 0 HA LYS A 30 -18.808 2.709 -15.861 1.00 2.15 H new ATOM 0 HB2 LYS A 30 -18.536 1.227 -18.498 1.00 14.12 H new ATOM 0 HB3 LYS A 30 -18.419 0.412 -16.951 1.00 14.12 H new ATOM 0 HG2 LYS A 30 -20.703 1.168 -16.366 1.00 73.53 H new ATOM 0 HG3 LYS A 30 -20.822 2.020 -17.893 1.00 73.53 H new ATOM 0 HD2 LYS A 30 -20.955 0.049 -19.150 1.00 62.20 H new ATOM 0 HD3 LYS A 30 -20.115 -0.907 -17.946 1.00 62.20 H new ATOM 0 HE2 LYS A 30 -22.501 0.105 -16.717 1.00 0.44 H new ATOM 0 HE3 LYS A 30 -22.954 -0.526 -18.288 1.00 0.44 H new ATOM 0 HZ1 LYS A 30 -23.052 -2.236 -16.595 1.00 23.22 H new ATOM 0 HZ2 LYS A 30 -21.852 -2.617 -17.735 1.00 23.22 H new ATOM 0 HZ3 LYS A 30 -21.414 -2.006 -16.213 1.00 23.22 H new ATOM 470 N LEU A 31 -16.442 1.584 -15.635 1.00 71.11 N ATOM 471 CA LEU A 31 -15.035 1.369 -15.313 1.00 4.42 C ATOM 472 C LEU A 31 -14.245 0.982 -16.559 1.00 2.43 C ATOM 473 O LEU A 31 -13.045 1.245 -16.653 1.00 73.25 O ATOM 474 CB LEU A 31 -14.895 0.280 -14.248 1.00 43.32 C ATOM 475 CG LEU A 31 -15.497 0.600 -12.879 1.00 70.53 C ATOM 476 CD1 LEU A 31 -16.043 -0.662 -12.228 1.00 43.34 C ATOM 477 CD2 LEU A 31 -14.461 1.259 -11.981 1.00 23.10 C ATOM 0 H LEU A 31 -17.092 1.037 -15.070 1.00 71.11 H new ATOM 0 HA LEU A 31 -14.630 2.303 -14.923 1.00 4.42 H new ATOM 0 HB2 LEU A 31 -15.362 -0.630 -14.624 1.00 43.32 H new ATOM 0 HB3 LEU A 31 -13.835 0.064 -14.115 1.00 43.32 H new ATOM 0 HG LEU A 31 -16.322 1.298 -13.021 1.00 70.53 H new ATOM 0 HD11 LEU A 31 -16.467 -0.415 -11.255 1.00 43.34 H new ATOM 0 HD12 LEU A 31 -16.817 -1.093 -12.863 1.00 43.34 H new ATOM 0 HD13 LEU A 31 -15.236 -1.383 -12.099 1.00 43.34 H new ATOM 0 HD21 LEU A 31 -14.907 1.479 -11.011 1.00 23.10 H new ATOM 0 HD22 LEU A 31 -13.615 0.585 -11.846 1.00 23.10 H new ATOM 0 HD23 LEU A 31 -14.117 2.185 -12.441 1.00 23.10 H new ATOM 489 N LYS A 32 -14.924 0.358 -17.515 1.00 51.54 N ATOM 490 CA LYS A 32 -14.289 -0.062 -18.757 1.00 21.45 C ATOM 491 C LYS A 32 -13.540 1.098 -19.405 1.00 30.04 C ATOM 492 O LYS A 32 -12.517 0.901 -20.061 1.00 12.04 O ATOM 493 CB LYS A 32 -15.334 -0.614 -19.729 1.00 55.13 C ATOM 494 CG LYS A 32 -14.977 -1.978 -20.296 1.00 52.43 C ATOM 495 CD LYS A 32 -16.096 -2.530 -21.164 1.00 23.14 C ATOM 496 CE LYS A 32 -17.130 -3.275 -20.334 1.00 24.51 C ATOM 497 NZ LYS A 32 -16.643 -4.619 -19.918 1.00 34.11 N1+ ATOM 0 H LYS A 32 -15.917 0.132 -17.453 1.00 51.54 H new ATOM 0 HA LYS A 32 -13.572 -0.848 -18.520 1.00 21.45 H new ATOM 0 HB2 LYS A 32 -16.294 -0.683 -19.217 1.00 55.13 H new ATOM 0 HB3 LYS A 32 -15.461 0.090 -20.551 1.00 55.13 H new ATOM 0 HG2 LYS A 32 -14.063 -1.901 -20.885 1.00 52.43 H new ATOM 0 HG3 LYS A 32 -14.773 -2.671 -19.480 1.00 52.43 H new ATOM 0 HD2 LYS A 32 -16.579 -1.713 -21.700 1.00 23.14 H new ATOM 0 HD3 LYS A 32 -15.678 -3.201 -21.915 1.00 23.14 H new ATOM 0 HE2 LYS A 32 -17.377 -2.688 -19.449 1.00 24.51 H new ATOM 0 HE3 LYS A 32 -18.049 -3.384 -20.911 1.00 24.51 H new ATOM 0 HZ1 LYS A 32 -17.425 -5.154 -19.488 1.00 34.11 H new ATOM 0 HZ2 LYS A 32 -16.288 -5.133 -20.750 1.00 34.11 H new ATOM 0 HZ3 LYS A 32 -15.875 -4.511 -19.225 1.00 34.11 H new ATOM 511 N HIS A 33 -14.056 2.309 -19.216 1.00 65.52 N ATOM 512 CA HIS A 33 -13.435 3.503 -19.781 1.00 73.43 C ATOM 513 C HIS A 33 -12.317 4.011 -18.876 1.00 4.34 C ATOM 514 O HIS A 33 -11.344 4.534 -19.420 1.00 31.40 O ATOM 515 CB HIS A 33 -14.481 4.600 -19.985 1.00 73.24 C ATOM 516 CG HIS A 33 -15.723 4.122 -20.672 1.00 55.11 C ATOM 517 ND1 HIS A 33 -16.968 4.147 -20.079 1.00 71.40 N ATOM 518 CD2 HIS A 33 -15.908 3.606 -21.909 1.00 25.02 C ATOM 519 CE1 HIS A 33 -17.864 3.667 -20.922 1.00 72.14 C ATOM 520 NE2 HIS A 33 -17.247 3.332 -22.041 1.00 12.05 N ATOM 0 H HIS A 33 -14.902 2.490 -18.676 1.00 65.52 H new ATOM 0 HA HIS A 33 -13.006 3.238 -20.747 1.00 73.43 H new ATOM 0 HB2 HIS A 33 -14.750 5.019 -19.015 1.00 73.24 H new ATOM 0 HB3 HIS A 33 -14.040 5.407 -20.570 1.00 73.24 H new ATOM 0 HD2 HIS A 33 -15.144 3.440 -22.654 1.00 25.02 H new ATOM 0 HE1 HIS A 33 -18.922 3.566 -20.729 1.00 72.14 H new ATOM 0 HE2 HIS A 33 -17.693 2.935 -22.868 1.00 12.05 H new ATOM 528 N ILE A 34 -12.425 3.878 -17.558 1.00 60.22 N ATOM 529 CA ILE A 34 -11.382 4.348 -16.655 1.00 62.21 C ATOM 530 C ILE A 34 -10.138 3.471 -16.749 1.00 2.45 C ATOM 531 O ILE A 34 -9.012 3.963 -16.670 1.00 22.42 O ATOM 532 CB ILE A 34 -11.871 4.373 -15.195 1.00 74.42 C ATOM 533 CG1 ILE A 34 -13.221 5.086 -15.098 1.00 50.12 C ATOM 534 CG2 ILE A 34 -10.841 5.051 -14.304 1.00 55.23 C ATOM 535 CD1 ILE A 34 -13.784 5.124 -13.694 1.00 60.11 C ATOM 0 H ILE A 34 -13.224 3.449 -17.092 1.00 60.22 H new ATOM 0 HA ILE A 34 -11.132 5.363 -16.962 1.00 62.21 H new ATOM 0 HB ILE A 34 -12.000 3.346 -14.852 1.00 74.42 H new ATOM 0 HG12 ILE A 34 -13.111 6.107 -15.465 1.00 50.12 H new ATOM 0 HG13 ILE A 34 -13.934 4.587 -15.754 1.00 50.12 H new ATOM 0 HG21 ILE A 34 -11.200 5.061 -13.275 1.00 55.23 H new ATOM 0 HG22 ILE A 34 -9.900 4.504 -14.354 1.00 55.23 H new ATOM 0 HG23 ILE A 34 -10.684 6.075 -14.644 1.00 55.23 H new ATOM 0 HD11 ILE A 34 -14.742 5.644 -13.700 1.00 60.11 H new ATOM 0 HD12 ILE A 34 -13.926 4.106 -13.331 1.00 60.11 H new ATOM 0 HD13 ILE A 34 -13.090 5.649 -13.038 1.00 60.11 H new ATOM 547 N VAL A 35 -10.349 2.170 -16.919 1.00 44.21 N ATOM 548 CA VAL A 35 -9.245 1.224 -17.026 1.00 4.25 C ATOM 549 C VAL A 35 -8.562 1.328 -18.386 1.00 42.24 C ATOM 550 O VAL A 35 -7.337 1.267 -18.484 1.00 73.12 O ATOM 551 CB VAL A 35 -9.723 -0.224 -16.814 1.00 44.43 C ATOM 552 CG1 VAL A 35 -8.561 -1.196 -16.948 1.00 11.12 C ATOM 553 CG2 VAL A 35 -10.396 -0.369 -15.457 1.00 11.34 C ATOM 0 H VAL A 35 -11.275 1.747 -16.986 1.00 44.21 H new ATOM 0 HA VAL A 35 -8.532 1.481 -16.243 1.00 4.25 H new ATOM 0 HB VAL A 35 -10.455 -0.463 -17.585 1.00 44.43 H new ATOM 0 HG11 VAL A 35 -8.919 -2.214 -16.795 1.00 11.12 H new ATOM 0 HG12 VAL A 35 -8.128 -1.110 -17.944 1.00 11.12 H new ATOM 0 HG13 VAL A 35 -7.803 -0.962 -16.201 1.00 11.12 H new ATOM 0 HG21 VAL A 35 -10.728 -1.399 -15.324 1.00 11.34 H new ATOM 0 HG22 VAL A 35 -9.687 -0.111 -14.670 1.00 11.34 H new ATOM 0 HG23 VAL A 35 -11.256 0.299 -15.404 1.00 11.34 H new ATOM 563 N TRP A 36 -9.365 1.486 -19.433 1.00 1.22 N ATOM 564 CA TRP A 36 -8.838 1.600 -20.788 1.00 43.13 C ATOM 565 C TRP A 36 -7.878 2.778 -20.903 1.00 51.11 C ATOM 566 O TRP A 36 -6.735 2.621 -21.332 1.00 61.43 O ATOM 567 CB TRP A 36 -9.983 1.759 -21.791 1.00 74.11 C ATOM 568 CG TRP A 36 -9.515 1.937 -23.203 1.00 1.34 C ATOM 569 CD1 TRP A 36 -9.143 0.953 -24.074 1.00 25.03 C ATOM 570 CD2 TRP A 36 -9.367 3.176 -23.907 1.00 52.42 C ATOM 571 NE1 TRP A 36 -8.774 1.506 -25.277 1.00 73.41 N ATOM 572 CE2 TRP A 36 -8.903 2.867 -25.201 1.00 32.21 C ATOM 573 CE3 TRP A 36 -9.584 4.514 -23.571 1.00 2.14 C ATOM 574 CZ2 TRP A 36 -8.650 3.848 -26.155 1.00 45.43 C ATOM 575 CZ3 TRP A 36 -9.333 5.488 -24.520 1.00 12.13 C ATOM 576 CH2 TRP A 36 -8.871 5.152 -25.799 1.00 60.04 C ATOM 0 H TRP A 36 -10.382 1.538 -19.369 1.00 1.22 H new ATOM 0 HA TRP A 36 -8.289 0.686 -21.015 1.00 43.13 H new ATOM 0 HB2 TRP A 36 -10.628 0.882 -21.737 1.00 74.11 H new ATOM 0 HB3 TRP A 36 -10.590 2.619 -21.506 1.00 74.11 H new ATOM 0 HD1 TRP A 36 -9.139 -0.104 -23.851 1.00 25.03 H new ATOM 0 HE1 TRP A 36 -8.455 0.986 -26.095 1.00 73.41 H new ATOM 0 HE3 TRP A 36 -9.941 4.783 -22.588 1.00 2.14 H new ATOM 0 HZ2 TRP A 36 -8.292 3.590 -27.141 1.00 45.43 H new ATOM 0 HZ3 TRP A 36 -9.496 6.526 -24.271 1.00 12.13 H new ATOM 0 HH2 TRP A 36 -8.686 5.936 -26.518 1.00 60.04 H new ATOM 587 N ALA A 37 -8.349 3.960 -20.517 1.00 35.40 N ATOM 588 CA ALA A 37 -7.531 5.165 -20.574 1.00 61.32 C ATOM 589 C ALA A 37 -6.194 4.954 -19.871 1.00 21.53 C ATOM 590 O ALA A 37 -5.144 5.338 -20.387 1.00 15.03 O ATOM 591 CB ALA A 37 -8.276 6.338 -19.957 1.00 14.45 C ATOM 0 H ALA A 37 -9.293 4.108 -20.161 1.00 35.40 H new ATOM 0 HA ALA A 37 -7.329 5.389 -21.621 1.00 61.32 H new ATOM 0 HB1 ALA A 37 -7.653 7.231 -20.006 1.00 14.45 H new ATOM 0 HB2 ALA A 37 -9.202 6.510 -20.506 1.00 14.45 H new ATOM 0 HB3 ALA A 37 -8.508 6.115 -18.916 1.00 14.45 H new ATOM 597 N SER A 38 -6.241 4.342 -18.693 1.00 15.21 N ATOM 598 CA SER A 38 -5.033 4.086 -17.916 1.00 60.42 C ATOM 599 C SER A 38 -3.984 3.373 -18.764 1.00 63.20 C ATOM 600 O SER A 38 -2.797 3.693 -18.700 1.00 23.34 O ATOM 601 CB SER A 38 -5.364 3.245 -16.682 1.00 61.51 C ATOM 602 OG SER A 38 -5.598 4.068 -15.552 1.00 65.53 O ATOM 0 H SER A 38 -7.102 4.014 -18.255 1.00 15.21 H new ATOM 0 HA SER A 38 -4.626 5.045 -17.595 1.00 60.42 H new ATOM 0 HB2 SER A 38 -6.245 2.634 -16.880 1.00 61.51 H new ATOM 0 HB3 SER A 38 -4.542 2.560 -16.473 1.00 61.51 H new ATOM 0 HG SER A 38 -5.809 3.507 -14.777 1.00 65.53 H new ATOM 608 N ARG A 39 -4.431 2.405 -19.558 1.00 31.35 N ATOM 609 CA ARG A 39 -3.531 1.646 -20.418 1.00 44.14 C ATOM 610 C ARG A 39 -2.921 2.542 -21.492 1.00 64.23 C ATOM 611 O ARG A 39 -1.700 2.621 -21.626 1.00 45.03 O ATOM 612 CB ARG A 39 -4.279 0.483 -21.073 1.00 65.13 C ATOM 613 CG ARG A 39 -3.559 -0.849 -20.954 1.00 35.33 C ATOM 614 CD ARG A 39 -4.190 -1.730 -19.887 1.00 35.33 C ATOM 615 NE ARG A 39 -3.185 -2.439 -19.098 1.00 42.44 N ATOM 616 CZ ARG A 39 -2.441 -1.857 -18.164 1.00 22.51 C ATOM 617 NH1 ARG A 39 -2.586 -0.565 -17.905 1.00 23.43 N1+ ATOM 618 NH2 ARG A 39 -1.548 -2.569 -17.487 1.00 20.34 N ATOM 0 H ARG A 39 -5.411 2.128 -19.623 1.00 31.35 H new ATOM 0 HA ARG A 39 -2.725 1.250 -19.800 1.00 44.14 H new ATOM 0 HB2 ARG A 39 -5.266 0.395 -20.618 1.00 65.13 H new ATOM 0 HB3 ARG A 39 -4.433 0.710 -22.128 1.00 65.13 H new ATOM 0 HG2 ARG A 39 -3.584 -1.364 -21.914 1.00 35.33 H new ATOM 0 HG3 ARG A 39 -2.510 -0.677 -20.712 1.00 35.33 H new ATOM 0 HD2 ARG A 39 -4.803 -1.117 -19.227 1.00 35.33 H new ATOM 0 HD3 ARG A 39 -4.855 -2.452 -20.360 1.00 35.33 H new ATOM 0 HE ARG A 39 -3.047 -3.434 -19.274 1.00 42.44 H new ATOM 0 HH11 ARG A 39 -3.271 -0.015 -18.424 1.00 23.43 H new ATOM 0 HH12 ARG A 39 -2.013 -0.121 -17.187 1.00 23.43 H new ATOM 0 HH21 ARG A 39 -1.433 -3.563 -17.684 1.00 20.34 H new ATOM 0 HH22 ARG A 39 -0.977 -2.122 -16.770 1.00 20.34 H new ATOM 632 N GLU A 40 -3.779 3.213 -22.253 1.00 23.44 N ATOM 633 CA GLU A 40 -3.323 4.101 -23.317 1.00 13.21 C ATOM 634 C GLU A 40 -2.429 5.205 -22.757 1.00 61.01 C ATOM 635 O GLU A 40 -1.580 5.749 -23.463 1.00 15.40 O ATOM 636 CB GLU A 40 -4.519 4.719 -24.044 1.00 52.15 C ATOM 637 CG GLU A 40 -4.292 4.911 -25.534 1.00 74.51 C ATOM 638 CD GLU A 40 -4.005 3.607 -26.253 1.00 11.33 C ATOM 639 OE1 GLU A 40 -4.972 2.900 -26.607 1.00 62.02 O ATOM 640 OE2 GLU A 40 -2.815 3.294 -26.462 1.00 73.20 O1- ATOM 0 H GLU A 40 -4.793 3.159 -22.153 1.00 23.44 H new ATOM 0 HA GLU A 40 -2.743 3.510 -24.025 1.00 13.21 H new ATOM 0 HB2 GLU A 40 -5.391 4.082 -23.897 1.00 52.15 H new ATOM 0 HB3 GLU A 40 -4.749 5.684 -23.593 1.00 52.15 H new ATOM 0 HG2 GLU A 40 -5.173 5.378 -25.975 1.00 74.51 H new ATOM 0 HG3 GLU A 40 -3.458 5.596 -25.685 1.00 74.51 H new ATOM 647 N LEU A 41 -2.629 5.530 -21.484 1.00 22.33 N ATOM 648 CA LEU A 41 -1.842 6.569 -20.828 1.00 20.10 C ATOM 649 C LEU A 41 -0.387 6.136 -20.674 1.00 70.54 C ATOM 650 O LEU A 41 0.520 6.780 -21.196 1.00 32.32 O ATOM 651 CB LEU A 41 -2.436 6.898 -19.457 1.00 22.41 C ATOM 652 CG LEU A 41 -3.480 8.016 -19.429 1.00 21.33 C ATOM 653 CD1 LEU A 41 -4.030 8.195 -18.023 1.00 64.04 C ATOM 654 CD2 LEU A 41 -2.880 9.317 -19.939 1.00 22.15 C ATOM 0 H LEU A 41 -3.328 5.090 -20.886 1.00 22.33 H new ATOM 0 HA LEU A 41 -1.872 7.461 -21.454 1.00 20.10 H new ATOM 0 HB2 LEU A 41 -2.891 5.993 -19.054 1.00 22.41 H new ATOM 0 HB3 LEU A 41 -1.621 7.172 -18.786 1.00 22.41 H new ATOM 0 HG LEU A 41 -4.303 7.737 -20.087 1.00 21.33 H new ATOM 0 HD11 LEU A 41 -4.771 8.994 -18.021 1.00 64.04 H new ATOM 0 HD12 LEU A 41 -4.497 7.267 -17.694 1.00 64.04 H new ATOM 0 HD13 LEU A 41 -3.217 8.453 -17.344 1.00 64.04 H new ATOM 0 HD21 LEU A 41 -3.636 10.102 -19.912 1.00 22.15 H new ATOM 0 HD22 LEU A 41 -2.039 9.602 -19.307 1.00 22.15 H new ATOM 0 HD23 LEU A 41 -2.534 9.181 -20.964 1.00 22.15 H new ATOM 666 N GLU A 42 -0.176 5.038 -19.954 1.00 61.10 N ATOM 667 CA GLU A 42 1.168 4.518 -19.732 1.00 64.25 C ATOM 668 C GLU A 42 1.905 4.332 -21.057 1.00 52.45 C ATOM 669 O GLU A 42 3.131 4.424 -21.114 1.00 3.13 O ATOM 670 CB GLU A 42 1.106 3.187 -18.980 1.00 71.41 C ATOM 671 CG GLU A 42 1.691 3.252 -17.579 1.00 33.12 C ATOM 672 CD GLU A 42 2.948 2.417 -17.432 1.00 30.33 C ATOM 673 OE1 GLU A 42 2.851 1.176 -17.539 1.00 0.41 O ATOM 674 OE2 GLU A 42 4.028 3.002 -17.210 1.00 12.44 O1- ATOM 0 H GLU A 42 -0.918 4.492 -19.515 1.00 61.10 H new ATOM 0 HA GLU A 42 1.715 5.243 -19.129 1.00 64.25 H new ATOM 0 HB2 GLU A 42 0.067 2.863 -18.916 1.00 71.41 H new ATOM 0 HB3 GLU A 42 1.641 2.430 -19.553 1.00 71.41 H new ATOM 0 HG2 GLU A 42 1.917 4.289 -17.332 1.00 33.12 H new ATOM 0 HG3 GLU A 42 0.945 2.909 -16.862 1.00 33.12 H new ATOM 681 N ARG A 43 1.147 4.070 -22.117 1.00 12.33 N ATOM 682 CA ARG A 43 1.727 3.870 -23.439 1.00 31.31 C ATOM 683 C ARG A 43 2.432 5.135 -23.921 1.00 43.41 C ATOM 684 O ARG A 43 3.429 5.067 -24.640 1.00 0.21 O ATOM 685 CB ARG A 43 0.643 3.465 -24.439 1.00 63.21 C ATOM 686 CG ARG A 43 1.184 2.762 -25.673 1.00 55.12 C ATOM 687 CD ARG A 43 0.312 1.581 -26.068 1.00 44.11 C ATOM 688 NE ARG A 43 0.540 1.170 -27.452 1.00 53.41 N ATOM 689 CZ ARG A 43 1.561 0.411 -27.834 1.00 42.13 C ATOM 690 NH1 ARG A 43 2.442 -0.019 -26.941 1.00 42.11 N1+ ATOM 691 NH2 ARG A 43 1.701 0.080 -29.111 1.00 32.30 N ATOM 0 H ARG A 43 0.131 3.991 -22.086 1.00 12.33 H new ATOM 0 HA ARG A 43 2.463 3.069 -23.368 1.00 31.31 H new ATOM 0 HB2 ARG A 43 -0.071 2.809 -23.942 1.00 63.21 H new ATOM 0 HB3 ARG A 43 0.096 4.355 -24.749 1.00 63.21 H new ATOM 0 HG2 ARG A 43 1.238 3.469 -26.501 1.00 55.12 H new ATOM 0 HG3 ARG A 43 2.200 2.417 -25.481 1.00 55.12 H new ATOM 0 HD2 ARG A 43 0.515 0.742 -25.403 1.00 44.11 H new ATOM 0 HD3 ARG A 43 -0.737 1.845 -25.937 1.00 44.11 H new ATOM 0 HE ARG A 43 -0.121 1.483 -28.163 1.00 53.41 H new ATOM 0 HH11 ARG A 43 2.336 0.233 -25.958 1.00 42.11 H new ATOM 0 HH12 ARG A 43 3.225 -0.602 -27.237 1.00 42.11 H new ATOM 0 HH21 ARG A 43 1.024 0.408 -29.800 1.00 32.30 H new ATOM 0 HH22 ARG A 43 2.485 -0.503 -29.404 1.00 32.30 H new ATOM 705 N PHE A 44 1.906 6.288 -23.520 1.00 31.32 N ATOM 706 CA PHE A 44 2.484 7.568 -23.912 1.00 40.25 C ATOM 707 C PHE A 44 3.421 8.096 -22.831 1.00 33.04 C ATOM 708 O PHE A 44 3.607 9.305 -22.690 1.00 65.23 O ATOM 709 CB PHE A 44 1.376 8.589 -24.185 1.00 60.53 C ATOM 710 CG PHE A 44 0.449 8.185 -25.295 1.00 21.31 C ATOM 711 CD1 PHE A 44 0.946 7.867 -26.549 1.00 4.03 C ATOM 712 CD2 PHE A 44 -0.919 8.122 -25.086 1.00 54.51 C ATOM 713 CE1 PHE A 44 0.094 7.497 -27.573 1.00 35.51 C ATOM 714 CE2 PHE A 44 -1.774 7.751 -26.105 1.00 45.45 C ATOM 715 CZ PHE A 44 -1.268 7.437 -27.351 1.00 34.22 C ATOM 0 H PHE A 44 1.081 6.362 -22.924 1.00 31.32 H new ATOM 0 HA PHE A 44 3.061 7.414 -24.824 1.00 40.25 H new ATOM 0 HB2 PHE A 44 0.796 8.736 -23.274 1.00 60.53 H new ATOM 0 HB3 PHE A 44 1.830 9.548 -24.433 1.00 60.53 H new ATOM 0 HD1 PHE A 44 2.010 7.909 -26.728 1.00 4.03 H new ATOM 0 HD2 PHE A 44 -1.322 8.366 -24.114 1.00 54.51 H new ATOM 0 HE1 PHE A 44 0.493 7.255 -28.547 1.00 35.51 H new ATOM 0 HE2 PHE A 44 -2.838 7.706 -25.928 1.00 45.45 H new ATOM 0 HZ PHE A 44 -1.935 7.146 -28.149 1.00 34.22 H new ATOM 725 N ALA A 45 4.010 7.181 -22.068 1.00 61.13 N ATOM 726 CA ALA A 45 4.930 7.552 -21.000 1.00 3.51 C ATOM 727 C ALA A 45 4.216 8.351 -19.915 1.00 0.41 C ATOM 728 O ALA A 45 4.841 9.123 -19.185 1.00 62.44 O ATOM 729 CB ALA A 45 6.098 8.348 -21.563 1.00 13.11 C ATOM 0 H ALA A 45 3.866 6.176 -22.170 1.00 61.13 H new ATOM 0 HA ALA A 45 5.313 6.637 -20.548 1.00 3.51 H new ATOM 0 HB1 ALA A 45 6.777 8.619 -20.755 1.00 13.11 H new ATOM 0 HB2 ALA A 45 6.630 7.743 -22.297 1.00 13.11 H new ATOM 0 HB3 ALA A 45 5.724 9.253 -22.041 1.00 13.11 H new ATOM 735 N VAL A 46 2.905 8.164 -19.814 1.00 54.45 N ATOM 736 CA VAL A 46 2.106 8.868 -18.817 1.00 14.11 C ATOM 737 C VAL A 46 1.452 7.891 -17.847 1.00 74.04 C ATOM 738 O VAL A 46 0.602 7.090 -18.235 1.00 31.40 O ATOM 739 CB VAL A 46 1.013 9.727 -19.478 1.00 43.14 C ATOM 740 CG1 VAL A 46 0.168 10.423 -18.422 1.00 61.43 C ATOM 741 CG2 VAL A 46 1.633 10.739 -20.429 1.00 10.12 C ATOM 0 H VAL A 46 2.372 7.531 -20.410 1.00 54.45 H new ATOM 0 HA VAL A 46 2.787 9.519 -18.269 1.00 14.11 H new ATOM 0 HB VAL A 46 0.361 9.072 -20.056 1.00 43.14 H new ATOM 0 HG11 VAL A 46 -0.599 11.025 -18.909 1.00 61.43 H new ATOM 0 HG12 VAL A 46 -0.307 9.676 -17.786 1.00 61.43 H new ATOM 0 HG13 VAL A 46 0.803 11.067 -17.814 1.00 61.43 H new ATOM 0 HG21 VAL A 46 0.846 11.338 -20.887 1.00 10.12 H new ATOM 0 HG22 VAL A 46 2.309 11.391 -19.876 1.00 10.12 H new ATOM 0 HG23 VAL A 46 2.189 10.215 -21.206 1.00 10.12 H new ATOM 751 N ASN A 47 1.854 7.962 -16.582 1.00 12.12 N ATOM 752 CA ASN A 47 1.307 7.083 -15.555 1.00 44.23 C ATOM 753 C ASN A 47 -0.200 7.278 -15.418 1.00 12.50 C ATOM 754 O ASN A 47 -0.721 8.388 -15.539 1.00 13.41 O ATOM 755 CB ASN A 47 1.990 7.347 -14.211 1.00 63.41 C ATOM 756 CG ASN A 47 3.428 6.865 -14.190 1.00 62.30 C ATOM 757 OD1 ASN A 47 3.855 6.112 -15.066 1.00 42.00 O ATOM 758 ND2 ASN A 47 4.182 7.296 -13.187 1.00 52.45 N ATOM 0 H ASN A 47 2.557 8.619 -16.244 1.00 12.12 H new ATOM 0 HA ASN A 47 1.497 6.053 -15.856 1.00 44.23 H new ATOM 0 HB2 ASN A 47 1.964 8.415 -13.997 1.00 63.41 H new ATOM 0 HB3 ASN A 47 1.431 6.850 -13.418 1.00 63.41 H new ATOM 0 HD21 ASN A 47 5.157 7.004 -13.120 1.00 52.45 H new ATOM 0 HD22 ASN A 47 3.787 7.919 -12.483 1.00 52.45 H new ATOM 765 N PRO A 48 -0.920 6.176 -15.160 1.00 15.44 N ATOM 766 CA PRO A 48 -2.376 6.200 -14.999 1.00 65.11 C ATOM 767 C PRO A 48 -2.807 6.900 -13.716 1.00 13.55 C ATOM 768 O PRO A 48 -3.967 7.279 -13.562 1.00 21.11 O ATOM 769 CB PRO A 48 -2.752 4.717 -14.952 1.00 4.51 C ATOM 770 CG PRO A 48 -1.524 4.030 -14.464 1.00 20.13 C ATOM 771 CD PRO A 48 -0.365 4.821 -15.004 1.00 72.54 C ATOM 0 HA PRO A 48 -2.865 6.753 -15.801 1.00 65.11 H new ATOM 0 HB2 PRO A 48 -3.595 4.543 -14.283 1.00 4.51 H new ATOM 0 HB3 PRO A 48 -3.045 4.352 -15.936 1.00 4.51 H new ATOM 0 HG2 PRO A 48 -1.501 3.998 -13.375 1.00 20.13 H new ATOM 0 HG3 PRO A 48 -1.489 2.998 -14.814 1.00 20.13 H new ATOM 0 HD2 PRO A 48 0.483 4.810 -14.319 1.00 72.54 H new ATOM 0 HD3 PRO A 48 -0.012 4.419 -15.954 1.00 72.54 H new ATOM 779 N GLY A 49 -1.863 7.069 -12.794 1.00 72.10 N ATOM 780 CA GLY A 49 -2.165 7.724 -11.534 1.00 72.43 C ATOM 781 C GLY A 49 -2.596 9.164 -11.719 1.00 4.32 C ATOM 782 O GLY A 49 -3.333 9.710 -10.896 1.00 44.33 O ATOM 0 H GLY A 49 -0.895 6.764 -12.897 1.00 72.10 H new ATOM 0 HA2 GLY A 49 -2.955 7.174 -11.022 1.00 72.43 H new ATOM 0 HA3 GLY A 49 -1.286 7.691 -10.891 1.00 72.43 H new ATOM 786 N LEU A 50 -2.136 9.784 -12.800 1.00 4.15 N ATOM 787 CA LEU A 50 -2.478 11.173 -13.090 1.00 71.30 C ATOM 788 C LEU A 50 -3.990 11.360 -13.152 1.00 12.11 C ATOM 789 O LEU A 50 -4.502 12.454 -12.909 1.00 13.42 O ATOM 790 CB LEU A 50 -1.843 11.609 -14.411 1.00 44.11 C ATOM 791 CG LEU A 50 -0.315 11.646 -14.444 1.00 75.03 C ATOM 792 CD1 LEU A 50 0.178 12.209 -15.767 1.00 61.31 C ATOM 793 CD2 LEU A 50 0.223 12.465 -13.279 1.00 21.21 C ATOM 0 H LEU A 50 -1.525 9.347 -13.490 1.00 4.15 H new ATOM 0 HA LEU A 50 -2.087 11.794 -12.284 1.00 71.30 H new ATOM 0 HB2 LEU A 50 -2.187 10.935 -15.196 1.00 44.11 H new ATOM 0 HB3 LEU A 50 -2.215 12.603 -14.659 1.00 44.11 H new ATOM 0 HG LEU A 50 0.056 10.626 -14.348 1.00 75.03 H new ATOM 0 HD11 LEU A 50 1.268 12.227 -15.771 1.00 61.31 H new ATOM 0 HD12 LEU A 50 -0.178 11.582 -16.584 1.00 61.31 H new ATOM 0 HD13 LEU A 50 -0.202 13.222 -15.895 1.00 61.31 H new ATOM 0 HD21 LEU A 50 1.312 12.481 -13.318 1.00 21.21 H new ATOM 0 HD22 LEU A 50 -0.157 13.484 -13.345 1.00 21.21 H new ATOM 0 HD23 LEU A 50 -0.100 12.017 -12.339 1.00 21.21 H new ATOM 805 N LEU A 51 -4.700 10.286 -13.476 1.00 64.24 N ATOM 806 CA LEU A 51 -6.157 10.331 -13.569 1.00 33.42 C ATOM 807 C LEU A 51 -6.789 10.343 -12.181 1.00 0.11 C ATOM 808 O LEU A 51 -7.894 10.855 -11.997 1.00 74.31 O ATOM 809 CB LEU A 51 -6.674 9.132 -14.367 1.00 12.14 C ATOM 810 CG LEU A 51 -6.382 9.149 -15.867 1.00 24.23 C ATOM 811 CD1 LEU A 51 -6.835 7.850 -16.514 1.00 30.42 C ATOM 812 CD2 LEU A 51 -7.059 10.341 -16.529 1.00 53.14 C ATOM 0 H LEU A 51 -4.292 9.373 -13.679 1.00 64.24 H new ATOM 0 HA LEU A 51 -6.436 11.250 -14.084 1.00 33.42 H new ATOM 0 HB2 LEU A 51 -6.242 8.225 -13.943 1.00 12.14 H new ATOM 0 HB3 LEU A 51 -7.753 9.066 -14.228 1.00 12.14 H new ATOM 0 HG LEU A 51 -5.305 9.244 -16.007 1.00 24.23 H new ATOM 0 HD11 LEU A 51 -6.619 7.881 -17.582 1.00 30.42 H new ATOM 0 HD12 LEU A 51 -6.304 7.013 -16.060 1.00 30.42 H new ATOM 0 HD13 LEU A 51 -7.907 7.724 -16.364 1.00 30.42 H new ATOM 0 HD21 LEU A 51 -6.840 10.337 -17.597 1.00 53.14 H new ATOM 0 HD22 LEU A 51 -8.137 10.277 -16.379 1.00 53.14 H new ATOM 0 HD23 LEU A 51 -6.686 11.264 -16.086 1.00 53.14 H new ATOM 824 N GLU A 52 -6.081 9.780 -11.207 1.00 22.20 N ATOM 825 CA GLU A 52 -6.573 9.728 -9.836 1.00 50.34 C ATOM 826 C GLU A 52 -6.432 11.088 -9.156 1.00 75.25 C ATOM 827 O GLU A 52 -6.888 11.281 -8.029 1.00 53.53 O ATOM 828 CB GLU A 52 -5.816 8.665 -9.038 1.00 41.40 C ATOM 829 CG GLU A 52 -6.394 8.417 -7.655 1.00 34.40 C ATOM 830 CD GLU A 52 -5.814 7.180 -6.994 1.00 3.42 C ATOM 831 OE1 GLU A 52 -4.997 6.491 -7.640 1.00 62.01 O ATOM 832 OE2 GLU A 52 -6.177 6.903 -5.832 1.00 13.14 O1- ATOM 0 H GLU A 52 -5.164 9.353 -11.342 1.00 22.20 H new ATOM 0 HA GLU A 52 -7.630 9.464 -9.866 1.00 50.34 H new ATOM 0 HB2 GLU A 52 -5.821 7.730 -9.598 1.00 41.40 H new ATOM 0 HB3 GLU A 52 -4.775 8.971 -8.938 1.00 41.40 H new ATOM 0 HG2 GLU A 52 -6.203 9.285 -7.024 1.00 34.40 H new ATOM 0 HG3 GLU A 52 -7.476 8.310 -7.731 1.00 34.40 H new ATOM 839 N THR A 53 -5.797 12.026 -9.849 1.00 43.54 N ATOM 840 CA THR A 53 -5.594 13.367 -9.313 1.00 35.22 C ATOM 841 C THR A 53 -6.115 14.429 -10.275 1.00 60.33 C ATOM 842 O THR A 53 -5.794 14.415 -11.463 1.00 62.35 O ATOM 843 CB THR A 53 -4.105 13.636 -9.026 1.00 5.21 C ATOM 844 OG1 THR A 53 -3.394 13.821 -10.256 1.00 55.41 O ATOM 845 CG2 THR A 53 -3.487 12.487 -8.245 1.00 20.21 C ATOM 0 H THR A 53 -5.414 11.883 -10.783 1.00 43.54 H new ATOM 0 HA THR A 53 -6.153 13.423 -8.379 1.00 35.22 H new ATOM 0 HB THR A 53 -4.032 14.542 -8.425 1.00 5.21 H new ATOM 0 HG1 THR A 53 -3.933 13.480 -11.000 1.00 55.41 H new ATOM 0 HG21 THR A 53 -2.435 12.701 -8.055 1.00 20.21 H new ATOM 0 HG22 THR A 53 -4.011 12.369 -7.296 1.00 20.21 H new ATOM 0 HG23 THR A 53 -3.571 11.567 -8.823 1.00 20.21 H new ATOM 853 N SER A 54 -6.919 15.349 -9.753 1.00 42.23 N ATOM 854 CA SER A 54 -7.487 16.418 -10.566 1.00 1.12 C ATOM 855 C SER A 54 -6.389 17.199 -11.282 1.00 52.01 C ATOM 856 O SER A 54 -6.617 17.784 -12.339 1.00 43.34 O ATOM 857 CB SER A 54 -8.317 17.363 -9.696 1.00 45.13 C ATOM 858 OG SER A 54 -8.491 16.836 -8.392 1.00 24.10 O ATOM 0 H SER A 54 -7.192 15.376 -8.771 1.00 42.23 H new ATOM 0 HA SER A 54 -8.134 15.965 -11.317 1.00 1.12 H new ATOM 0 HB2 SER A 54 -7.825 18.334 -9.636 1.00 45.13 H new ATOM 0 HB3 SER A 54 -9.290 17.527 -10.158 1.00 45.13 H new ATOM 0 HG SER A 54 -9.023 17.460 -7.855 1.00 24.10 H new ATOM 864 N GLU A 55 -5.196 17.202 -10.694 1.00 3.25 N ATOM 865 CA GLU A 55 -4.062 17.912 -11.275 1.00 74.13 C ATOM 866 C GLU A 55 -3.495 17.148 -12.468 1.00 4.40 C ATOM 867 O GLU A 55 -3.261 17.722 -13.531 1.00 65.40 O ATOM 868 CB GLU A 55 -2.970 18.120 -10.223 1.00 61.01 C ATOM 869 CG GLU A 55 -2.348 19.506 -10.257 1.00 51.10 C ATOM 870 CD GLU A 55 -2.312 20.163 -8.891 1.00 33.53 C ATOM 871 OE1 GLU A 55 -3.327 20.776 -8.501 1.00 11.12 O ATOM 872 OE2 GLU A 55 -1.268 20.063 -8.212 1.00 41.52 O1- ATOM 0 H GLU A 55 -4.990 16.722 -9.818 1.00 3.25 H new ATOM 0 HA GLU A 55 -4.413 18.884 -11.622 1.00 74.13 H new ATOM 0 HB2 GLU A 55 -3.392 17.945 -9.234 1.00 61.01 H new ATOM 0 HB3 GLU A 55 -2.187 17.376 -10.372 1.00 61.01 H new ATOM 0 HG2 GLU A 55 -1.333 19.435 -10.649 1.00 51.10 H new ATOM 0 HG3 GLU A 55 -2.912 20.136 -10.944 1.00 51.10 H new ATOM 879 N GLY A 56 -3.277 15.850 -12.283 1.00 30.44 N ATOM 880 CA GLY A 56 -2.738 15.029 -13.352 1.00 63.11 C ATOM 881 C GLY A 56 -3.531 15.158 -14.637 1.00 31.41 C ATOM 882 O GLY A 56 -2.955 15.263 -15.721 1.00 60.05 O ATOM 0 H GLY A 56 -3.464 15.352 -11.413 1.00 30.44 H new ATOM 0 HA2 GLY A 56 -1.702 15.313 -13.538 1.00 63.11 H new ATOM 0 HA3 GLY A 56 -2.730 13.986 -13.036 1.00 63.11 H new ATOM 886 N CYS A 57 -4.854 15.149 -14.519 1.00 54.23 N ATOM 887 CA CYS A 57 -5.728 15.264 -15.681 1.00 33.34 C ATOM 888 C CYS A 57 -5.380 16.501 -16.502 1.00 0.21 C ATOM 889 O CYS A 57 -5.234 16.428 -17.722 1.00 3.11 O ATOM 890 CB CYS A 57 -7.191 15.322 -15.242 1.00 73.15 C ATOM 891 SG CYS A 57 -8.050 13.734 -15.324 1.00 63.23 S ATOM 0 H CYS A 57 -5.345 15.063 -13.629 1.00 54.23 H new ATOM 0 HA CYS A 57 -5.580 14.383 -16.305 1.00 33.34 H new ATOM 0 HB2 CYS A 57 -7.238 15.696 -14.219 1.00 73.15 H new ATOM 0 HB3 CYS A 57 -7.719 16.041 -15.868 1.00 73.15 H new ATOM 0 HG CYS A 57 -9.280 13.885 -14.931 1.00 63.23 H new ATOM 897 N ARG A 58 -5.250 17.637 -15.824 1.00 62.33 N ATOM 898 CA ARG A 58 -4.924 18.892 -16.491 1.00 32.54 C ATOM 899 C ARG A 58 -3.672 18.739 -17.352 1.00 42.40 C ATOM 900 O ARG A 58 -3.607 19.261 -18.465 1.00 31.02 O ATOM 901 CB ARG A 58 -4.713 20.002 -15.461 1.00 53.54 C ATOM 902 CG ARG A 58 -5.042 21.390 -15.985 1.00 41.24 C ATOM 903 CD ARG A 58 -3.812 22.075 -16.560 1.00 73.34 C ATOM 904 NE ARG A 58 -3.424 23.247 -15.781 1.00 51.11 N ATOM 905 CZ ARG A 58 -2.539 24.145 -16.196 1.00 11.42 C ATOM 906 NH1 ARG A 58 -1.953 24.007 -17.378 1.00 41.20 N1+ ATOM 907 NH2 ARG A 58 -2.238 25.187 -15.430 1.00 72.41 N ATOM 0 H ARG A 58 -5.365 17.714 -14.813 1.00 62.33 H new ATOM 0 HA ARG A 58 -5.760 19.159 -17.137 1.00 32.54 H new ATOM 0 HB2 ARG A 58 -5.331 19.797 -14.587 1.00 53.54 H new ATOM 0 HB3 ARG A 58 -3.675 19.985 -15.129 1.00 53.54 H new ATOM 0 HG2 ARG A 58 -5.812 21.317 -16.753 1.00 41.24 H new ATOM 0 HG3 ARG A 58 -5.454 21.996 -15.178 1.00 41.24 H new ATOM 0 HD2 ARG A 58 -2.983 21.368 -16.588 1.00 73.34 H new ATOM 0 HD3 ARG A 58 -4.011 22.374 -17.589 1.00 73.34 H new ATOM 0 HE ARG A 58 -3.857 23.383 -14.867 1.00 51.11 H new ATOM 0 HH11 ARG A 58 -2.182 23.209 -17.971 1.00 41.20 H new ATOM 0 HH12 ARG A 58 -1.273 24.699 -17.694 1.00 41.20 H new ATOM 0 HH21 ARG A 58 -2.687 25.298 -14.521 1.00 72.41 H new ATOM 0 HH22 ARG A 58 -1.558 25.876 -15.751 1.00 72.41 H new ATOM 921 N GLN A 59 -2.684 18.022 -16.829 1.00 14.44 N ATOM 922 CA GLN A 59 -1.435 17.803 -17.549 1.00 70.53 C ATOM 923 C GLN A 59 -1.655 16.898 -18.757 1.00 60.35 C ATOM 924 O GLN A 59 -1.019 17.070 -19.797 1.00 75.54 O ATOM 925 CB GLN A 59 -0.387 17.188 -16.621 1.00 15.55 C ATOM 926 CG GLN A 59 0.631 18.192 -16.104 1.00 54.34 C ATOM 927 CD GLN A 59 1.866 18.274 -16.978 1.00 32.10 C ATOM 928 OE1 GLN A 59 1.773 18.500 -18.185 1.00 63.22 O ATOM 929 NE2 GLN A 59 3.034 18.091 -16.373 1.00 44.12 N ATOM 0 H GLN A 59 -2.724 17.583 -15.909 1.00 14.44 H new ATOM 0 HA GLN A 59 -1.075 18.769 -17.902 1.00 70.53 H new ATOM 0 HB2 GLN A 59 -0.891 16.725 -15.773 1.00 15.55 H new ATOM 0 HB3 GLN A 59 0.136 16.394 -17.153 1.00 15.55 H new ATOM 0 HG2 GLN A 59 0.167 19.176 -16.045 1.00 54.34 H new ATOM 0 HG3 GLN A 59 0.925 17.917 -15.091 1.00 54.34 H new ATOM 0 HE21 GLN A 59 3.066 17.906 -15.370 1.00 44.12 H new ATOM 0 HE22 GLN A 59 3.899 18.135 -16.911 1.00 44.12 H new ATOM 938 N ILE A 60 -2.559 15.935 -18.611 1.00 72.50 N ATOM 939 CA ILE A 60 -2.862 15.003 -19.690 1.00 64.34 C ATOM 940 C ILE A 60 -3.662 15.684 -20.796 1.00 41.11 C ATOM 941 O ILE A 60 -3.423 15.454 -21.982 1.00 62.54 O ATOM 942 CB ILE A 60 -3.652 13.785 -19.177 1.00 40.11 C ATOM 943 CG1 ILE A 60 -2.864 13.064 -18.082 1.00 70.54 C ATOM 944 CG2 ILE A 60 -3.968 12.836 -20.324 1.00 12.14 C ATOM 945 CD1 ILE A 60 -3.708 12.120 -17.253 1.00 14.04 C ATOM 0 H ILE A 60 -3.094 15.780 -17.757 1.00 72.50 H new ATOM 0 HA ILE A 60 -1.907 14.664 -20.091 1.00 64.34 H new ATOM 0 HB ILE A 60 -4.593 14.134 -18.752 1.00 40.11 H new ATOM 0 HG12 ILE A 60 -2.050 12.503 -18.541 1.00 70.54 H new ATOM 0 HG13 ILE A 60 -2.410 13.805 -17.424 1.00 70.54 H new ATOM 0 HG21 ILE A 60 -4.527 11.980 -19.945 1.00 12.14 H new ATOM 0 HG22 ILE A 60 -4.565 13.356 -21.073 1.00 12.14 H new ATOM 0 HG23 ILE A 60 -3.039 12.491 -20.777 1.00 12.14 H new ATOM 0 HD11 ILE A 60 -3.085 11.644 -16.496 1.00 14.04 H new ATOM 0 HD12 ILE A 60 -4.507 12.679 -16.766 1.00 14.04 H new ATOM 0 HD13 ILE A 60 -4.141 11.357 -17.899 1.00 14.04 H new ATOM 957 N LEU A 61 -4.611 16.525 -20.400 1.00 14.44 N ATOM 958 CA LEU A 61 -5.445 17.243 -21.357 1.00 51.34 C ATOM 959 C LEU A 61 -4.656 18.355 -22.041 1.00 40.54 C ATOM 960 O LEU A 61 -4.860 18.639 -23.220 1.00 50.03 O ATOM 961 CB LEU A 61 -6.672 17.830 -20.655 1.00 13.11 C ATOM 962 CG LEU A 61 -7.603 16.824 -19.979 1.00 42.13 C ATOM 963 CD1 LEU A 61 -8.286 17.453 -18.775 1.00 70.20 C ATOM 964 CD2 LEU A 61 -8.638 16.306 -20.970 1.00 35.24 C ATOM 0 H LEU A 61 -4.822 16.726 -19.423 1.00 14.44 H new ATOM 0 HA LEU A 61 -5.773 16.535 -22.118 1.00 51.34 H new ATOM 0 HB2 LEU A 61 -6.330 18.541 -19.903 1.00 13.11 H new ATOM 0 HB3 LEU A 61 -7.250 18.394 -21.387 1.00 13.11 H new ATOM 0 HG LEU A 61 -7.005 15.981 -19.633 1.00 42.13 H new ATOM 0 HD11 LEU A 61 -8.945 16.721 -18.307 1.00 70.20 H new ATOM 0 HD12 LEU A 61 -7.532 17.775 -18.056 1.00 70.20 H new ATOM 0 HD13 LEU A 61 -8.871 18.314 -19.097 1.00 70.20 H new ATOM 0 HD21 LEU A 61 -9.293 15.591 -20.472 1.00 35.24 H new ATOM 0 HD22 LEU A 61 -9.231 17.140 -21.346 1.00 35.24 H new ATOM 0 HD23 LEU A 61 -8.132 15.816 -21.802 1.00 35.24 H new ATOM 976 N GLY A 62 -3.753 18.980 -21.292 1.00 50.22 N ATOM 977 CA GLY A 62 -2.945 20.052 -21.844 1.00 53.40 C ATOM 978 C GLY A 62 -2.095 19.595 -23.012 1.00 2.01 C ATOM 979 O GLY A 62 -1.697 20.402 -23.851 1.00 11.34 O ATOM 0 H GLY A 62 -3.566 18.763 -20.313 1.00 50.22 H new ATOM 0 HA2 GLY A 62 -3.596 20.864 -22.168 1.00 53.40 H new ATOM 0 HA3 GLY A 62 -2.299 20.454 -21.064 1.00 53.40 H new ATOM 983 N GLN A 63 -1.815 18.296 -23.066 1.00 4.24 N ATOM 984 CA GLN A 63 -1.004 17.735 -24.139 1.00 65.23 C ATOM 985 C GLN A 63 -1.885 17.188 -25.258 1.00 74.21 C ATOM 986 O GLN A 63 -1.465 17.115 -26.414 1.00 40.42 O ATOM 987 CB GLN A 63 -0.100 16.626 -23.598 1.00 11.42 C ATOM 988 CG GLN A 63 1.364 17.025 -23.508 1.00 73.03 C ATOM 989 CD GLN A 63 1.577 18.290 -22.700 1.00 5.01 C ATOM 990 OE1 GLN A 63 1.692 19.383 -23.256 1.00 51.05 O ATOM 991 NE2 GLN A 63 1.630 18.148 -21.382 1.00 13.51 N ATOM 0 H GLN A 63 -2.138 17.614 -22.380 1.00 4.24 H new ATOM 0 HA GLN A 63 -0.384 18.533 -24.546 1.00 65.23 H new ATOM 0 HB2 GLN A 63 -0.450 16.334 -22.608 1.00 11.42 H new ATOM 0 HB3 GLN A 63 -0.190 15.749 -24.240 1.00 11.42 H new ATOM 0 HG2 GLN A 63 1.931 16.211 -23.057 1.00 73.03 H new ATOM 0 HG3 GLN A 63 1.759 17.170 -24.513 1.00 73.03 H new ATOM 0 HE21 GLN A 63 1.530 17.223 -20.964 1.00 13.51 H new ATOM 0 HE22 GLN A 63 1.771 18.964 -20.786 1.00 13.51 H new ATOM 1000 N LEU A 64 -3.107 16.802 -24.906 1.00 21.43 N ATOM 1001 CA LEU A 64 -4.048 16.259 -25.881 1.00 5.34 C ATOM 1002 C LEU A 64 -4.773 17.380 -26.619 1.00 1.40 C ATOM 1003 O LEU A 64 -5.220 17.202 -27.751 1.00 61.12 O ATOM 1004 CB LEU A 64 -5.063 15.350 -25.188 1.00 50.31 C ATOM 1005 CG LEU A 64 -4.595 13.924 -24.894 1.00 60.13 C ATOM 1006 CD1 LEU A 64 -5.604 13.202 -24.014 1.00 50.44 C ATOM 1007 CD2 LEU A 64 -4.370 13.159 -26.189 1.00 63.34 C ATOM 0 H LEU A 64 -3.469 16.855 -23.954 1.00 21.43 H new ATOM 0 HA LEU A 64 -3.484 15.675 -26.608 1.00 5.34 H new ATOM 0 HB2 LEU A 64 -5.356 15.816 -24.247 1.00 50.31 H new ATOM 0 HB3 LEU A 64 -5.957 15.297 -25.809 1.00 50.31 H new ATOM 0 HG LEU A 64 -3.648 13.976 -24.357 1.00 60.13 H new ATOM 0 HD11 LEU A 64 -5.254 12.189 -23.815 1.00 50.44 H new ATOM 0 HD12 LEU A 64 -5.715 13.739 -23.072 1.00 50.44 H new ATOM 0 HD13 LEU A 64 -6.567 13.160 -24.523 1.00 50.44 H new ATOM 0 HD21 LEU A 64 -4.037 12.147 -25.960 1.00 63.34 H new ATOM 0 HD22 LEU A 64 -5.302 13.116 -26.753 1.00 63.34 H new ATOM 0 HD23 LEU A 64 -3.609 13.665 -26.783 1.00 63.34 H new ATOM 1019 N GLN A 65 -4.883 18.535 -25.970 1.00 51.03 N ATOM 1020 CA GLN A 65 -5.553 19.685 -26.566 1.00 1.41 C ATOM 1021 C GLN A 65 -4.989 19.986 -27.951 1.00 42.15 C ATOM 1022 O GLN A 65 -5.693 19.933 -28.959 1.00 42.22 O ATOM 1023 CB GLN A 65 -5.404 20.912 -25.665 1.00 13.51 C ATOM 1024 CG GLN A 65 -6.702 21.336 -24.996 1.00 31.14 C ATOM 1025 CD GLN A 65 -6.722 22.811 -24.644 1.00 2.13 C ATOM 1026 OE1 GLN A 65 -6.629 23.183 -23.474 1.00 41.22 O ATOM 1027 NE2 GLN A 65 -6.843 23.659 -25.658 1.00 4.43 N ATOM 0 H GLN A 65 -4.517 18.699 -25.032 1.00 51.03 H new ATOM 0 HA GLN A 65 -6.611 19.444 -26.669 1.00 1.41 H new ATOM 0 HB2 GLN A 65 -4.661 20.700 -24.896 1.00 13.51 H new ATOM 0 HB3 GLN A 65 -5.022 21.743 -26.257 1.00 13.51 H new ATOM 0 HG2 GLN A 65 -7.538 21.113 -25.659 1.00 31.14 H new ATOM 0 HG3 GLN A 65 -6.848 20.748 -24.090 1.00 31.14 H new ATOM 0 HE21 GLN A 65 -6.917 23.306 -26.612 1.00 4.43 H new ATOM 0 HE22 GLN A 65 -6.862 24.664 -25.483 1.00 4.43 H new ATOM 1036 N PRO A 66 -3.688 20.309 -28.003 1.00 63.54 N ATOM 1037 CA PRO A 66 -3.002 20.624 -29.260 1.00 21.14 C ATOM 1038 C PRO A 66 -2.834 19.399 -30.153 1.00 53.34 C ATOM 1039 O PRO A 66 -2.582 19.522 -31.351 1.00 15.01 O ATOM 1040 CB PRO A 66 -1.637 21.140 -28.798 1.00 34.43 C ATOM 1041 CG PRO A 66 -1.425 20.510 -27.464 1.00 62.10 C ATOM 1042 CD PRO A 66 -2.788 20.391 -26.842 1.00 74.10 C ATOM 0 HA PRO A 66 -3.563 21.339 -29.862 1.00 21.14 H new ATOM 0 HB2 PRO A 66 -0.850 20.859 -29.498 1.00 34.43 H new ATOM 0 HB3 PRO A 66 -1.628 22.228 -28.728 1.00 34.43 H new ATOM 0 HG2 PRO A 66 -0.955 19.532 -27.565 1.00 62.10 H new ATOM 0 HG3 PRO A 66 -0.765 21.118 -26.845 1.00 62.10 H new ATOM 0 HD2 PRO A 66 -2.865 19.506 -26.211 1.00 74.10 H new ATOM 0 HD3 PRO A 66 -3.020 21.252 -26.214 1.00 74.10 H new ATOM 1050 N SER A 67 -2.975 18.217 -29.560 1.00 44.13 N ATOM 1051 CA SER A 67 -2.837 16.969 -30.302 1.00 13.15 C ATOM 1052 C SER A 67 -4.127 16.630 -31.040 1.00 62.44 C ATOM 1053 O SER A 67 -4.108 15.956 -32.071 1.00 53.04 O ATOM 1054 CB SER A 67 -2.462 15.828 -29.354 1.00 73.01 C ATOM 1055 OG SER A 67 -1.149 15.361 -29.611 1.00 24.24 O ATOM 0 H SER A 67 -3.185 18.098 -28.569 1.00 44.13 H new ATOM 0 HA SER A 67 -2.043 17.097 -31.037 1.00 13.15 H new ATOM 0 HB2 SER A 67 -2.534 16.170 -28.322 1.00 73.01 H new ATOM 0 HB3 SER A 67 -3.172 15.008 -29.468 1.00 73.01 H new ATOM 0 HG SER A 67 -0.933 14.633 -28.991 1.00 24.24 H new ATOM 1061 N LEU A 68 -5.248 17.100 -30.506 1.00 72.15 N ATOM 1062 CA LEU A 68 -6.551 16.847 -31.112 1.00 21.13 C ATOM 1063 C LEU A 68 -6.547 17.231 -32.588 1.00 64.42 C ATOM 1064 O LEU A 68 -7.258 16.633 -33.396 1.00 71.51 O ATOM 1065 CB LEU A 68 -7.640 17.627 -30.374 1.00 64.30 C ATOM 1066 CG LEU A 68 -8.097 17.040 -29.038 1.00 12.42 C ATOM 1067 CD1 LEU A 68 -8.499 18.149 -28.078 1.00 13.44 C ATOM 1068 CD2 LEU A 68 -9.250 16.070 -29.248 1.00 15.53 C ATOM 0 H LEU A 68 -5.282 17.659 -29.654 1.00 72.15 H new ATOM 0 HA LEU A 68 -6.760 15.780 -31.032 1.00 21.13 H new ATOM 0 HB2 LEU A 68 -7.278 18.640 -30.198 1.00 64.30 H new ATOM 0 HB3 LEU A 68 -8.508 17.708 -31.028 1.00 64.30 H new ATOM 0 HG LEU A 68 -7.263 16.492 -28.599 1.00 12.42 H new ATOM 0 HD11 LEU A 68 -8.821 17.713 -27.133 1.00 13.44 H new ATOM 0 HD12 LEU A 68 -7.647 18.805 -27.903 1.00 13.44 H new ATOM 0 HD13 LEU A 68 -9.318 18.725 -28.510 1.00 13.44 H new ATOM 0 HD21 LEU A 68 -9.562 15.662 -28.287 1.00 15.53 H new ATOM 0 HD22 LEU A 68 -10.087 16.594 -29.709 1.00 15.53 H new ATOM 0 HD23 LEU A 68 -8.928 15.258 -29.899 1.00 15.53 H new ATOM 1080 N GLN A 69 -5.741 18.229 -32.934 1.00 15.42 N ATOM 1081 CA GLN A 69 -5.644 18.691 -34.313 1.00 25.23 C ATOM 1082 C GLN A 69 -5.312 17.536 -35.251 1.00 32.55 C ATOM 1083 O GLN A 69 -5.961 17.351 -36.281 1.00 4.15 O ATOM 1084 CB GLN A 69 -4.581 19.785 -34.434 1.00 34.22 C ATOM 1085 CG GLN A 69 -4.324 20.229 -35.865 1.00 74.03 C ATOM 1086 CD GLN A 69 -4.387 21.735 -36.029 1.00 52.14 C ATOM 1087 OE1 GLN A 69 -5.273 22.261 -36.702 1.00 42.25 O ATOM 1088 NE2 GLN A 69 -3.444 22.437 -35.413 1.00 14.14 N ATOM 0 H GLN A 69 -5.145 18.734 -32.278 1.00 15.42 H new ATOM 0 HA GLN A 69 -6.611 19.102 -34.601 1.00 25.23 H new ATOM 0 HB2 GLN A 69 -4.891 20.648 -33.845 1.00 34.22 H new ATOM 0 HB3 GLN A 69 -3.648 19.423 -34.002 1.00 34.22 H new ATOM 0 HG2 GLN A 69 -3.343 19.874 -36.181 1.00 74.03 H new ATOM 0 HG3 GLN A 69 -5.059 19.765 -36.523 1.00 74.03 H new ATOM 0 HE21 GLN A 69 -2.728 21.959 -34.865 1.00 14.14 H new ATOM 0 HE22 GLN A 69 -3.435 23.454 -35.487 1.00 14.14 H new ATOM 1097 N THR A 70 -4.293 16.760 -34.890 1.00 44.25 N ATOM 1098 CA THR A 70 -3.873 15.624 -35.700 1.00 1.32 C ATOM 1099 C THR A 70 -3.955 14.325 -34.908 1.00 34.31 C ATOM 1100 O THR A 70 -3.085 13.461 -35.022 1.00 73.02 O ATOM 1101 CB THR A 70 -2.435 15.807 -36.219 1.00 34.43 C ATOM 1102 OG1 THR A 70 -1.592 16.291 -35.169 1.00 15.20 O ATOM 1103 CG2 THR A 70 -2.401 16.776 -37.391 1.00 2.04 C ATOM 0 H THR A 70 -3.744 16.899 -34.042 1.00 44.25 H new ATOM 0 HA THR A 70 -4.554 15.571 -36.550 1.00 1.32 H new ATOM 0 HB THR A 70 -2.070 14.838 -36.559 1.00 34.43 H new ATOM 0 HG1 THR A 70 -0.679 16.403 -35.508 1.00 15.20 H new ATOM 0 HG21 THR A 70 -1.375 16.889 -37.740 1.00 2.04 H new ATOM 0 HG22 THR A 70 -3.019 16.389 -38.201 1.00 2.04 H new ATOM 0 HG23 THR A 70 -2.785 17.745 -37.073 1.00 2.04 H new ATOM 1111 N GLY A 71 -5.006 14.191 -34.104 1.00 30.22 N ATOM 1112 CA GLY A 71 -5.180 12.992 -33.305 1.00 42.34 C ATOM 1113 C GLY A 71 -5.962 11.918 -34.035 1.00 71.43 C ATOM 1114 O GLY A 71 -6.599 12.188 -35.053 1.00 63.31 O ATOM 0 H GLY A 71 -5.739 14.891 -33.992 1.00 30.22 H new ATOM 0 HA2 GLY A 71 -4.202 12.599 -33.027 1.00 42.34 H new ATOM 0 HA3 GLY A 71 -5.696 13.247 -32.380 1.00 42.34 H new ATOM 1118 N SER A 72 -5.912 10.695 -33.515 1.00 5.15 N ATOM 1119 CA SER A 72 -6.616 9.575 -34.127 1.00 44.11 C ATOM 1120 C SER A 72 -7.780 9.121 -33.252 1.00 40.14 C ATOM 1121 O SER A 72 -8.124 9.777 -32.270 1.00 12.33 O ATOM 1122 CB SER A 72 -5.655 8.408 -34.363 1.00 14.33 C ATOM 1123 OG SER A 72 -5.561 7.585 -33.213 1.00 1.20 O ATOM 0 H SER A 72 -5.391 10.455 -32.671 1.00 5.15 H new ATOM 0 HA SER A 72 -7.013 9.908 -35.086 1.00 44.11 H new ATOM 0 HB2 SER A 72 -5.998 7.816 -35.211 1.00 14.33 H new ATOM 0 HB3 SER A 72 -4.668 8.792 -34.621 1.00 14.33 H new ATOM 0 HG SER A 72 -4.942 6.846 -33.390 1.00 1.20 H new ATOM 1129 N GLU A 73 -8.383 7.994 -33.618 1.00 11.10 N ATOM 1130 CA GLU A 73 -9.509 7.453 -32.866 1.00 61.20 C ATOM 1131 C GLU A 73 -9.165 7.327 -31.384 1.00 23.43 C ATOM 1132 O GLU A 73 -9.932 7.753 -30.521 1.00 20.43 O ATOM 1133 CB GLU A 73 -9.915 6.087 -33.425 1.00 15.34 C ATOM 1134 CG GLU A 73 -11.280 5.617 -32.953 1.00 72.43 C ATOM 1135 CD GLU A 73 -12.382 5.936 -33.945 1.00 33.51 C ATOM 1136 OE1 GLU A 73 -12.314 7.008 -34.582 1.00 75.30 O ATOM 1137 OE2 GLU A 73 -13.311 5.113 -34.084 1.00 5.32 O1- ATOM 0 H GLU A 73 -8.111 7.439 -34.429 1.00 11.10 H new ATOM 0 HA GLU A 73 -10.346 8.143 -32.969 1.00 61.20 H new ATOM 0 HB2 GLU A 73 -9.913 6.134 -34.514 1.00 15.34 H new ATOM 0 HB3 GLU A 73 -9.166 5.349 -33.137 1.00 15.34 H new ATOM 0 HG2 GLU A 73 -11.250 4.541 -32.782 1.00 72.43 H new ATOM 0 HG3 GLU A 73 -11.511 6.086 -31.996 1.00 72.43 H new ATOM 1144 N GLU A 74 -8.007 6.739 -31.100 1.00 44.24 N ATOM 1145 CA GLU A 74 -7.563 6.556 -29.723 1.00 25.44 C ATOM 1146 C GLU A 74 -7.451 7.897 -29.004 1.00 24.34 C ATOM 1147 O GLU A 74 -7.962 8.066 -27.897 1.00 51.34 O ATOM 1148 CB GLU A 74 -6.214 5.834 -29.692 1.00 54.33 C ATOM 1149 CG GLU A 74 -6.286 4.388 -30.154 1.00 2.12 C ATOM 1150 CD GLU A 74 -5.335 4.093 -31.298 1.00 14.12 C ATOM 1151 OE1 GLU A 74 -5.651 4.468 -32.445 1.00 50.20 O1- ATOM 1152 OE2 GLU A 74 -4.273 3.486 -31.043 1.00 40.31 O ATOM 0 H GLU A 74 -7.361 6.382 -31.804 1.00 44.24 H new ATOM 0 HA GLU A 74 -8.306 5.948 -29.206 1.00 25.44 H new ATOM 0 HB2 GLU A 74 -5.508 6.374 -30.324 1.00 54.33 H new ATOM 0 HB3 GLU A 74 -5.819 5.863 -28.676 1.00 54.33 H new ATOM 0 HG2 GLU A 74 -6.055 3.731 -29.316 1.00 2.12 H new ATOM 0 HG3 GLU A 74 -7.305 4.160 -30.466 1.00 2.12 H new ATOM 1159 N LEU A 75 -6.779 8.849 -29.643 1.00 54.41 N ATOM 1160 CA LEU A 75 -6.599 10.176 -29.065 1.00 4.14 C ATOM 1161 C LEU A 75 -7.940 10.785 -28.668 1.00 24.51 C ATOM 1162 O LEU A 75 -8.110 11.259 -27.545 1.00 34.23 O ATOM 1163 CB LEU A 75 -5.884 11.094 -30.059 1.00 4.11 C ATOM 1164 CG LEU A 75 -4.955 12.147 -29.453 1.00 43.44 C ATOM 1165 CD1 LEU A 75 -3.640 12.199 -30.213 1.00 52.12 C ATOM 1166 CD2 LEU A 75 -5.628 13.513 -29.452 1.00 33.12 C ATOM 0 H LEU A 75 -6.350 8.727 -30.560 1.00 54.41 H new ATOM 0 HA LEU A 75 -5.988 10.074 -28.168 1.00 4.14 H new ATOM 0 HB2 LEU A 75 -5.302 10.474 -30.741 1.00 4.11 H new ATOM 0 HB3 LEU A 75 -6.638 11.605 -30.658 1.00 4.11 H new ATOM 0 HG LEU A 75 -4.743 11.867 -28.421 1.00 43.44 H new ATOM 0 HD11 LEU A 75 -2.992 12.954 -29.768 1.00 52.12 H new ATOM 0 HD12 LEU A 75 -3.152 11.226 -30.162 1.00 52.12 H new ATOM 0 HD13 LEU A 75 -3.832 12.455 -31.255 1.00 52.12 H new ATOM 0 HD21 LEU A 75 -4.953 14.251 -29.017 1.00 33.12 H new ATOM 0 HD22 LEU A 75 -5.869 13.800 -30.475 1.00 33.12 H new ATOM 0 HD23 LEU A 75 -6.544 13.467 -28.862 1.00 33.12 H new ATOM 1178 N ARG A 76 -8.891 10.765 -29.597 1.00 51.11 N ATOM 1179 CA ARG A 76 -10.218 11.313 -29.344 1.00 50.21 C ATOM 1180 C ARG A 76 -10.841 10.677 -28.105 1.00 0.40 C ATOM 1181 O ARG A 76 -11.278 11.374 -27.190 1.00 43.53 O ATOM 1182 CB ARG A 76 -11.125 11.091 -30.555 1.00 20.05 C ATOM 1183 CG ARG A 76 -10.967 12.149 -31.636 1.00 71.04 C ATOM 1184 CD ARG A 76 -11.970 13.278 -31.460 1.00 60.23 C ATOM 1185 NE ARG A 76 -12.883 13.381 -32.596 1.00 12.45 N ATOM 1186 CZ ARG A 76 -13.980 14.130 -32.591 1.00 73.20 C ATOM 1187 NH1 ARG A 76 -14.299 14.838 -31.516 1.00 43.02 N1+ ATOM 1188 NH2 ARG A 76 -14.759 14.172 -33.664 1.00 41.34 N ATOM 0 H ARG A 76 -8.767 10.375 -30.531 1.00 51.11 H new ATOM 0 HA ARG A 76 -10.114 12.384 -29.169 1.00 50.21 H new ATOM 0 HB2 ARG A 76 -10.912 10.111 -30.983 1.00 20.05 H new ATOM 0 HB3 ARG A 76 -12.163 11.075 -30.223 1.00 20.05 H new ATOM 0 HG2 ARG A 76 -9.955 12.552 -31.607 1.00 71.04 H new ATOM 0 HG3 ARG A 76 -11.100 11.692 -32.617 1.00 71.04 H new ATOM 0 HD2 ARG A 76 -12.544 13.114 -30.548 1.00 60.23 H new ATOM 0 HD3 ARG A 76 -11.437 14.221 -31.337 1.00 60.23 H new ATOM 0 HE ARG A 76 -12.666 12.849 -33.439 1.00 12.45 H new ATOM 0 HH11 ARG A 76 -13.701 14.808 -30.690 1.00 43.02 H new ATOM 0 HH12 ARG A 76 -15.142 15.412 -31.515 1.00 43.02 H new ATOM 0 HH21 ARG A 76 -14.516 13.629 -34.493 1.00 41.34 H new ATOM 0 HH22 ARG A 76 -15.601 14.747 -33.660 1.00 41.34 H new ATOM 1202 N SER A 77 -10.879 9.349 -28.083 1.00 64.22 N ATOM 1203 CA SER A 77 -11.453 8.618 -26.959 1.00 22.10 C ATOM 1204 C SER A 77 -10.835 9.076 -25.642 1.00 61.13 C ATOM 1205 O SER A 77 -11.530 9.220 -24.634 1.00 0.54 O ATOM 1206 CB SER A 77 -11.241 7.114 -27.139 1.00 20.25 C ATOM 1207 OG SER A 77 -12.278 6.541 -27.917 1.00 31.34 O ATOM 0 H SER A 77 -10.519 8.757 -28.831 1.00 64.22 H new ATOM 0 HA SER A 77 -12.523 8.826 -26.931 1.00 22.10 H new ATOM 0 HB2 SER A 77 -10.280 6.934 -27.620 1.00 20.25 H new ATOM 0 HB3 SER A 77 -11.204 6.630 -26.163 1.00 20.25 H new ATOM 0 HG SER A 77 -12.118 5.580 -28.018 1.00 31.34 H new ATOM 1213 N LEU A 78 -9.527 9.304 -25.656 1.00 31.13 N ATOM 1214 CA LEU A 78 -8.814 9.746 -24.464 1.00 53.34 C ATOM 1215 C LEU A 78 -9.356 11.083 -23.969 1.00 4.43 C ATOM 1216 O LEU A 78 -9.802 11.201 -22.828 1.00 71.40 O ATOM 1217 CB LEU A 78 -7.317 9.866 -24.755 1.00 32.40 C ATOM 1218 CG LEU A 78 -6.438 8.729 -24.231 1.00 41.10 C ATOM 1219 CD1 LEU A 78 -6.587 8.590 -22.724 1.00 14.34 C ATOM 1220 CD2 LEU A 78 -6.788 7.421 -24.926 1.00 44.14 C ATOM 0 H LEU A 78 -8.938 9.190 -26.481 1.00 31.13 H new ATOM 0 HA LEU A 78 -8.967 9.001 -23.683 1.00 53.34 H new ATOM 0 HB2 LEU A 78 -7.181 9.935 -25.834 1.00 32.40 H new ATOM 0 HB3 LEU A 78 -6.958 10.802 -24.328 1.00 32.40 H new ATOM 0 HG LEU A 78 -5.398 8.968 -24.452 1.00 41.10 H new ATOM 0 HD11 LEU A 78 -5.954 7.776 -22.369 1.00 14.34 H new ATOM 0 HD12 LEU A 78 -6.287 9.520 -22.241 1.00 14.34 H new ATOM 0 HD13 LEU A 78 -7.627 8.374 -22.480 1.00 14.34 H new ATOM 0 HD21 LEU A 78 -6.153 6.623 -24.541 1.00 44.14 H new ATOM 0 HD22 LEU A 78 -7.833 7.176 -24.736 1.00 44.14 H new ATOM 0 HD23 LEU A 78 -6.629 7.525 -25.999 1.00 44.14 H new ATOM 1232 N TYR A 79 -9.315 12.089 -24.836 1.00 64.23 N ATOM 1233 CA TYR A 79 -9.802 13.419 -24.489 1.00 74.33 C ATOM 1234 C TYR A 79 -11.227 13.353 -23.947 1.00 52.01 C ATOM 1235 O TYR A 79 -11.633 14.183 -23.134 1.00 34.53 O ATOM 1236 CB TYR A 79 -9.751 14.339 -25.710 1.00 74.34 C ATOM 1237 CG TYR A 79 -9.614 15.803 -25.360 1.00 14.33 C ATOM 1238 CD1 TYR A 79 -8.487 16.276 -24.696 1.00 63.14 C ATOM 1239 CD2 TYR A 79 -10.610 16.713 -25.690 1.00 61.11 C ATOM 1240 CE1 TYR A 79 -8.358 17.612 -24.373 1.00 13.40 C ATOM 1241 CE2 TYR A 79 -10.488 18.052 -25.372 1.00 13.33 C ATOM 1242 CZ TYR A 79 -9.360 18.496 -24.713 1.00 3.31 C ATOM 1243 OH TYR A 79 -9.235 19.830 -24.394 1.00 71.11 O ATOM 0 H TYR A 79 -8.949 12.008 -25.785 1.00 64.23 H new ATOM 0 HA TYR A 79 -9.155 13.823 -23.711 1.00 74.33 H new ATOM 0 HB2 TYR A 79 -8.912 14.045 -26.341 1.00 74.34 H new ATOM 0 HB3 TYR A 79 -10.658 14.198 -26.299 1.00 74.34 H new ATOM 0 HD1 TYR A 79 -7.700 15.587 -24.429 1.00 63.14 H new ATOM 0 HD2 TYR A 79 -11.495 16.368 -26.204 1.00 61.11 H new ATOM 0 HE1 TYR A 79 -7.477 17.963 -23.857 1.00 13.40 H new ATOM 0 HE2 TYR A 79 -11.271 18.747 -25.638 1.00 13.33 H new ATOM 0 HH TYR A 79 -10.027 20.316 -24.705 1.00 71.11 H new ATOM 1253 N ASN A 80 -11.981 12.358 -24.404 1.00 51.44 N ATOM 1254 CA ASN A 80 -13.361 12.182 -23.965 1.00 61.33 C ATOM 1255 C ASN A 80 -13.415 11.700 -22.518 1.00 40.20 C ATOM 1256 O ASN A 80 -14.025 12.340 -21.661 1.00 11.31 O ATOM 1257 CB ASN A 80 -14.084 11.185 -24.873 1.00 22.43 C ATOM 1258 CG ASN A 80 -13.945 11.536 -26.342 1.00 44.35 C ATOM 1259 OD1 ASN A 80 -13.509 12.634 -26.691 1.00 63.41 O ATOM 1260 ND2 ASN A 80 -14.318 10.603 -27.211 1.00 45.54 N ATOM 0 H ASN A 80 -11.660 11.662 -25.077 1.00 51.44 H new ATOM 0 HA ASN A 80 -13.861 13.149 -24.026 1.00 61.33 H new ATOM 0 HB2 ASN A 80 -13.684 10.185 -24.702 1.00 22.43 H new ATOM 0 HB3 ASN A 80 -15.141 11.156 -24.607 1.00 22.43 H new ATOM 0 HD21 ASN A 80 -14.249 10.782 -28.213 1.00 45.54 H new ATOM 0 HD22 ASN A 80 -14.673 9.707 -26.876 1.00 45.54 H new ATOM 1267 N THR A 81 -12.772 10.567 -22.253 1.00 1.34 N ATOM 1268 CA THR A 81 -12.746 9.999 -20.911 1.00 3.12 C ATOM 1269 C THR A 81 -12.046 10.934 -19.931 1.00 3.41 C ATOM 1270 O THR A 81 -12.603 11.290 -18.892 1.00 42.25 O ATOM 1271 CB THR A 81 -12.037 8.632 -20.893 1.00 62.11 C ATOM 1272 OG1 THR A 81 -12.590 7.781 -21.904 1.00 34.12 O ATOM 1273 CG2 THR A 81 -12.177 7.967 -19.532 1.00 2.22 C ATOM 0 H THR A 81 -12.262 10.025 -22.950 1.00 1.34 H new ATOM 0 HA THR A 81 -13.784 9.866 -20.605 1.00 3.12 H new ATOM 0 HB THR A 81 -10.978 8.794 -21.093 1.00 62.11 H new ATOM 0 HG1 THR A 81 -12.133 6.914 -21.888 1.00 34.12 H new ATOM 0 HG21 THR A 81 -11.668 7.003 -19.544 1.00 2.22 H new ATOM 0 HG22 THR A 81 -11.730 8.604 -18.768 1.00 2.22 H new ATOM 0 HG23 THR A 81 -13.233 7.817 -19.307 1.00 2.22 H new ATOM 1281 N ILE A 82 -10.823 11.330 -20.268 1.00 60.41 N ATOM 1282 CA ILE A 82 -10.049 12.225 -19.419 1.00 52.21 C ATOM 1283 C ILE A 82 -10.846 13.477 -19.069 1.00 54.23 C ATOM 1284 O ILE A 82 -10.663 14.064 -18.002 1.00 11.34 O ATOM 1285 CB ILE A 82 -8.730 12.643 -20.095 1.00 3.20 C ATOM 1286 CG1 ILE A 82 -7.890 11.409 -20.431 1.00 70.52 C ATOM 1287 CG2 ILE A 82 -7.951 13.591 -19.196 1.00 33.32 C ATOM 1288 CD1 ILE A 82 -6.768 11.689 -21.405 1.00 20.11 C ATOM 0 H ILE A 82 -10.347 11.044 -21.124 1.00 60.41 H new ATOM 0 HA ILE A 82 -9.821 11.674 -18.506 1.00 52.21 H new ATOM 0 HB ILE A 82 -8.964 13.164 -21.023 1.00 3.20 H new ATOM 0 HG12 ILE A 82 -7.469 11.005 -19.511 1.00 70.52 H new ATOM 0 HG13 ILE A 82 -8.540 10.640 -20.849 1.00 70.52 H new ATOM 0 HG21 ILE A 82 -7.021 13.877 -19.688 1.00 33.32 H new ATOM 0 HG22 ILE A 82 -8.548 14.482 -19.002 1.00 33.32 H new ATOM 0 HG23 ILE A 82 -7.724 13.094 -18.253 1.00 33.32 H new ATOM 0 HD11 ILE A 82 -6.215 10.770 -21.597 1.00 20.11 H new ATOM 0 HD12 ILE A 82 -7.183 12.065 -22.340 1.00 20.11 H new ATOM 0 HD13 ILE A 82 -6.096 12.435 -20.981 1.00 20.11 H new ATOM 1300 N ALA A 83 -11.733 13.880 -19.973 1.00 53.12 N ATOM 1301 CA ALA A 83 -12.562 15.059 -19.757 1.00 21.14 C ATOM 1302 C ALA A 83 -13.586 14.817 -18.654 1.00 61.21 C ATOM 1303 O ALA A 83 -13.563 15.478 -17.616 1.00 1.40 O ATOM 1304 CB ALA A 83 -13.259 15.457 -21.050 1.00 64.40 C ATOM 0 H ALA A 83 -11.896 13.407 -20.862 1.00 53.12 H new ATOM 0 HA ALA A 83 -11.913 15.876 -19.440 1.00 21.14 H new ATOM 0 HB1 ALA A 83 -13.875 16.339 -20.875 1.00 64.40 H new ATOM 0 HB2 ALA A 83 -12.512 15.681 -21.812 1.00 64.40 H new ATOM 0 HB3 ALA A 83 -13.890 14.636 -21.391 1.00 64.40 H new ATOM 1310 N VAL A 84 -14.485 13.865 -18.886 1.00 44.30 N ATOM 1311 CA VAL A 84 -15.517 13.536 -17.911 1.00 65.15 C ATOM 1312 C VAL A 84 -14.913 13.272 -16.537 1.00 21.13 C ATOM 1313 O VAL A 84 -15.485 13.647 -15.512 1.00 20.52 O ATOM 1314 CB VAL A 84 -16.329 12.302 -18.348 1.00 21.45 C ATOM 1315 CG1 VAL A 84 -17.398 11.973 -17.319 1.00 44.34 C ATOM 1316 CG2 VAL A 84 -16.949 12.531 -19.719 1.00 34.31 C ATOM 0 H VAL A 84 -14.519 13.309 -19.740 1.00 44.30 H new ATOM 0 HA VAL A 84 -16.182 14.398 -17.852 1.00 65.15 H new ATOM 0 HB VAL A 84 -15.653 11.450 -18.417 1.00 21.45 H new ATOM 0 HG11 VAL A 84 -17.961 11.099 -17.646 1.00 44.34 H new ATOM 0 HG12 VAL A 84 -16.927 11.763 -16.359 1.00 44.34 H new ATOM 0 HG13 VAL A 84 -18.075 12.821 -17.213 1.00 44.34 H new ATOM 0 HG21 VAL A 84 -17.519 11.649 -20.012 1.00 34.31 H new ATOM 0 HG22 VAL A 84 -17.612 13.395 -19.679 1.00 34.31 H new ATOM 0 HG23 VAL A 84 -16.160 12.713 -20.449 1.00 34.31 H new ATOM 1326 N LEU A 85 -13.752 12.627 -16.522 1.00 63.41 N ATOM 1327 CA LEU A 85 -13.067 12.313 -15.273 1.00 45.14 C ATOM 1328 C LEU A 85 -12.670 13.587 -14.534 1.00 23.50 C ATOM 1329 O LEU A 85 -13.026 13.779 -13.372 1.00 43.41 O ATOM 1330 CB LEU A 85 -11.827 11.461 -15.548 1.00 4.31 C ATOM 1331 CG LEU A 85 -11.387 10.530 -14.418 1.00 72.12 C ATOM 1332 CD1 LEU A 85 -11.767 9.091 -14.732 1.00 24.44 C ATOM 1333 CD2 LEU A 85 -9.888 10.649 -14.182 1.00 54.45 C ATOM 0 H LEU A 85 -13.265 12.311 -17.361 1.00 63.41 H new ATOM 0 HA LEU A 85 -13.754 11.749 -14.643 1.00 45.14 H new ATOM 0 HB2 LEU A 85 -12.015 10.858 -16.436 1.00 4.31 H new ATOM 0 HB3 LEU A 85 -10.998 12.128 -15.786 1.00 4.31 H new ATOM 0 HG LEU A 85 -11.903 10.829 -13.506 1.00 72.12 H new ATOM 0 HD11 LEU A 85 -11.446 8.444 -13.916 1.00 24.44 H new ATOM 0 HD12 LEU A 85 -12.848 9.017 -14.849 1.00 24.44 H new ATOM 0 HD13 LEU A 85 -11.280 8.779 -15.656 1.00 24.44 H new ATOM 0 HD21 LEU A 85 -9.593 9.979 -13.374 1.00 54.45 H new ATOM 0 HD22 LEU A 85 -9.354 10.377 -15.092 1.00 54.45 H new ATOM 0 HD23 LEU A 85 -9.643 11.676 -13.910 1.00 54.45 H new ATOM 1345 N TYR A 86 -11.932 14.454 -15.219 1.00 14.50 N ATOM 1346 CA TYR A 86 -11.485 15.710 -14.627 1.00 44.31 C ATOM 1347 C TYR A 86 -12.660 16.479 -14.031 1.00 34.01 C ATOM 1348 O TYR A 86 -12.597 16.946 -12.892 1.00 73.32 O ATOM 1349 CB TYR A 86 -10.780 16.569 -15.678 1.00 1.33 C ATOM 1350 CG TYR A 86 -10.393 17.943 -15.176 1.00 34.05 C ATOM 1351 CD1 TYR A 86 -9.222 18.135 -14.454 1.00 53.12 C ATOM 1352 CD2 TYR A 86 -11.198 19.048 -15.426 1.00 74.11 C ATOM 1353 CE1 TYR A 86 -8.865 19.388 -13.992 1.00 21.44 C ATOM 1354 CE2 TYR A 86 -10.848 20.304 -14.971 1.00 74.11 C ATOM 1355 CZ TYR A 86 -9.681 20.468 -14.254 1.00 1.35 C ATOM 1356 OH TYR A 86 -9.328 21.718 -13.798 1.00 32.01 O ATOM 0 H TYR A 86 -11.631 14.311 -16.183 1.00 14.50 H new ATOM 0 HA TYR A 86 -10.783 15.477 -13.826 1.00 44.31 H new ATOM 0 HB2 TYR A 86 -9.884 16.050 -16.018 1.00 1.33 H new ATOM 0 HB3 TYR A 86 -11.433 16.678 -16.544 1.00 1.33 H new ATOM 0 HD1 TYR A 86 -8.580 17.291 -14.250 1.00 53.12 H new ATOM 0 HD2 TYR A 86 -12.113 18.922 -15.986 1.00 74.11 H new ATOM 0 HE1 TYR A 86 -7.953 19.520 -13.429 1.00 21.44 H new ATOM 0 HE2 TYR A 86 -11.484 21.153 -15.175 1.00 74.11 H new ATOM 0 HH TYR A 86 -10.009 22.369 -14.068 1.00 32.01 H new ATOM 1366 N CYS A 87 -13.730 16.608 -14.807 1.00 63.15 N ATOM 1367 CA CYS A 87 -14.921 17.320 -14.357 1.00 53.21 C ATOM 1368 C CYS A 87 -15.408 16.773 -13.018 1.00 24.44 C ATOM 1369 O CYS A 87 -15.947 17.511 -12.194 1.00 20.14 O ATOM 1370 CB CYS A 87 -16.032 17.209 -15.401 1.00 43.43 C ATOM 1371 SG CYS A 87 -15.576 17.838 -17.034 1.00 13.42 S ATOM 0 H CYS A 87 -13.798 16.229 -15.751 1.00 63.15 H new ATOM 0 HA CYS A 87 -14.659 18.370 -14.227 1.00 53.21 H new ATOM 0 HB2 CYS A 87 -16.324 16.163 -15.495 1.00 43.43 H new ATOM 0 HB3 CYS A 87 -16.906 17.754 -15.045 1.00 43.43 H new ATOM 0 HG CYS A 87 -14.702 17.043 -17.577 1.00 13.42 H new ATOM 1377 N VAL A 88 -15.215 15.475 -12.810 1.00 63.42 N ATOM 1378 CA VAL A 88 -15.635 14.828 -11.573 1.00 10.35 C ATOM 1379 C VAL A 88 -14.745 15.243 -10.407 1.00 41.32 C ATOM 1380 O VAL A 88 -15.229 15.510 -9.306 1.00 60.03 O ATOM 1381 CB VAL A 88 -15.609 13.294 -11.704 1.00 12.32 C ATOM 1382 CG1 VAL A 88 -16.094 12.640 -10.419 1.00 34.14 C ATOM 1383 CG2 VAL A 88 -16.450 12.847 -12.890 1.00 15.31 C ATOM 0 H VAL A 88 -14.770 14.850 -13.483 1.00 63.42 H new ATOM 0 HA VAL A 88 -16.658 15.150 -11.379 1.00 10.35 H new ATOM 0 HB VAL A 88 -14.580 12.979 -11.878 1.00 12.32 H new ATOM 0 HG11 VAL A 88 -16.069 11.556 -10.530 1.00 34.14 H new ATOM 0 HG12 VAL A 88 -15.446 12.935 -9.594 1.00 34.14 H new ATOM 0 HG13 VAL A 88 -17.115 12.960 -10.211 1.00 34.14 H new ATOM 0 HG21 VAL A 88 -16.421 11.760 -12.968 1.00 15.31 H new ATOM 0 HG22 VAL A 88 -17.481 13.173 -12.749 1.00 15.31 H new ATOM 0 HG23 VAL A 88 -16.052 13.287 -13.804 1.00 15.31 H new ATOM 1393 N HIS A 89 -13.440 15.297 -10.655 1.00 74.44 N ATOM 1394 CA HIS A 89 -12.480 15.681 -9.625 1.00 65.53 C ATOM 1395 C HIS A 89 -12.579 17.173 -9.321 1.00 61.43 C ATOM 1396 O HIS A 89 -12.314 17.533 -8.176 1.00 14.44 O ATOM 1397 CB HIS A 89 -11.059 15.332 -10.068 1.00 34.32 C ATOM 1398 CG HIS A 89 -10.797 13.858 -10.137 1.00 14.31 C ATOM 1399 ND1 HIS A 89 -11.430 12.943 -9.323 1.00 22.51 N ATOM 1400 CD2 HIS A 89 -9.966 13.143 -10.930 1.00 31.13 C ATOM 1401 CE1 HIS A 89 -10.998 11.728 -9.613 1.00 14.20 C ATOM 1402 NE2 HIS A 89 -10.110 11.823 -10.585 1.00 71.31 N ATOM 0 H HIS A 89 -13.023 15.080 -11.560 1.00 74.44 H new ATOM 0 HA HIS A 89 -12.716 15.126 -8.717 1.00 65.53 H new ATOM 0 HB2 HIS A 89 -10.875 15.772 -11.048 1.00 34.32 H new ATOM 0 HB3 HIS A 89 -10.350 15.787 -9.376 1.00 34.32 H new ATOM 0 HD1 HIS A 89 -12.123 13.168 -8.609 1.00 22.51 H new ATOM 0 HD2 HIS A 89 -9.311 13.538 -11.693 1.00 31.13 H new ATOM 0 HE1 HIS A 89 -11.317 10.813 -9.136 1.00 14.20 H new ATOM 0 HE2 HIS A 89 -9.612 11.042 -11.011 1.00 71.31 H new ATOM 1411 N GLN A 90 -12.940 18.016 -10.282 1.00 4.45 N ATOM 1412 CA GLN A 90 -13.047 19.450 -10.037 1.00 24.11 C ATOM 1413 C GLN A 90 -14.370 19.790 -9.359 1.00 34.13 C ATOM 1414 O GLN A 90 -14.409 20.081 -8.163 1.00 63.31 O ATOM 1415 CB GLN A 90 -12.921 20.224 -11.351 1.00 20.23 C ATOM 1416 CG GLN A 90 -11.538 20.810 -11.582 1.00 13.23 C ATOM 1417 CD GLN A 90 -11.136 21.799 -10.505 1.00 52.44 C ATOM 1418 OE1 GLN A 90 -11.956 22.585 -10.030 1.00 61.04 O ATOM 1419 NE2 GLN A 90 -9.868 21.765 -10.113 1.00 52.42 N ATOM 0 H GLN A 90 -13.163 17.732 -11.236 1.00 4.45 H new ATOM 0 HA GLN A 90 -12.234 19.741 -9.372 1.00 24.11 H new ATOM 0 HB2 GLN A 90 -13.168 19.560 -12.179 1.00 20.23 H new ATOM 0 HB3 GLN A 90 -13.654 21.030 -11.360 1.00 20.23 H new ATOM 0 HG2 GLN A 90 -10.807 20.002 -11.620 1.00 13.23 H new ATOM 0 HG3 GLN A 90 -11.515 21.306 -12.552 1.00 13.23 H new ATOM 0 HE21 GLN A 90 -9.222 21.097 -10.534 1.00 52.42 H new ATOM 0 HE22 GLN A 90 -9.540 22.407 -9.391 1.00 52.42 H new ATOM 1428 N ARG A 91 -15.452 19.750 -10.130 1.00 15.23 N ATOM 1429 CA ARG A 91 -16.777 20.055 -9.603 1.00 1.34 C ATOM 1430 C ARG A 91 -17.838 19.918 -10.689 1.00 65.15 C ATOM 1431 O ARG A 91 -18.961 19.486 -10.423 1.00 25.13 O ATOM 1432 CB ARG A 91 -16.805 21.470 -9.023 1.00 2.11 C ATOM 1433 CG ARG A 91 -17.498 21.561 -7.672 1.00 25.23 C ATOM 1434 CD ARG A 91 -18.659 22.542 -7.708 1.00 44.01 C ATOM 1435 NE ARG A 91 -18.224 23.894 -8.050 1.00 14.30 N ATOM 1436 CZ ARG A 91 -17.586 24.697 -7.204 1.00 75.44 C ATOM 1437 NH1 ARG A 91 -17.312 24.284 -5.974 1.00 20.15 N1+ ATOM 1438 NH2 ARG A 91 -17.222 25.913 -7.588 1.00 34.50 N ATOM 0 H ARG A 91 -15.437 19.510 -11.121 1.00 15.23 H new ATOM 0 HA ARG A 91 -16.999 19.340 -8.810 1.00 1.34 H new ATOM 0 HB2 ARG A 91 -15.782 21.833 -8.922 1.00 2.11 H new ATOM 0 HB3 ARG A 91 -17.310 22.132 -9.726 1.00 2.11 H new ATOM 0 HG2 ARG A 91 -17.862 20.575 -7.381 1.00 25.23 H new ATOM 0 HG3 ARG A 91 -16.780 21.873 -6.913 1.00 25.23 H new ATOM 0 HD2 ARG A 91 -19.397 22.204 -8.436 1.00 44.01 H new ATOM 0 HD3 ARG A 91 -19.153 22.555 -6.736 1.00 44.01 H new ATOM 0 HE ARG A 91 -18.420 24.241 -8.989 1.00 14.30 H new ATOM 0 HH11 ARG A 91 -17.591 23.349 -5.676 1.00 20.15 H new ATOM 0 HH12 ARG A 91 -16.822 24.901 -5.326 1.00 20.15 H new ATOM 0 HH21 ARG A 91 -17.431 26.233 -8.533 1.00 34.50 H new ATOM 0 HH22 ARG A 91 -16.733 26.528 -6.938 1.00 34.50 H new ATOM 1452 N ILE A 92 -17.477 20.288 -11.914 1.00 51.12 N ATOM 1453 CA ILE A 92 -18.399 20.206 -13.040 1.00 32.34 C ATOM 1454 C ILE A 92 -19.017 18.816 -13.143 1.00 40.23 C ATOM 1455 O ILE A 92 -18.308 17.815 -13.244 1.00 51.42 O ATOM 1456 CB ILE A 92 -17.695 20.543 -14.368 1.00 30.21 C ATOM 1457 CG1 ILE A 92 -17.088 21.946 -14.308 1.00 65.31 C ATOM 1458 CG2 ILE A 92 -18.673 20.431 -15.528 1.00 5.13 C ATOM 1459 CD1 ILE A 92 -15.612 21.980 -14.635 1.00 2.52 C ATOM 0 H ILE A 92 -16.552 20.647 -12.151 1.00 51.12 H new ATOM 0 HA ILE A 92 -19.186 20.938 -12.859 1.00 32.34 H new ATOM 0 HB ILE A 92 -16.889 19.827 -14.527 1.00 30.21 H new ATOM 0 HG12 ILE A 92 -17.621 22.594 -15.004 1.00 65.31 H new ATOM 0 HG13 ILE A 92 -17.240 22.357 -13.310 1.00 65.31 H new ATOM 0 HG21 ILE A 92 -18.161 20.672 -16.460 1.00 5.13 H new ATOM 0 HG22 ILE A 92 -19.061 19.414 -15.580 1.00 5.13 H new ATOM 0 HG23 ILE A 92 -19.498 21.127 -15.377 1.00 5.13 H new ATOM 0 HD11 ILE A 92 -15.249 23.006 -14.573 1.00 2.52 H new ATOM 0 HD12 ILE A 92 -15.067 21.359 -13.924 1.00 2.52 H new ATOM 0 HD13 ILE A 92 -15.454 21.600 -15.644 1.00 2.52 H new ATOM 1471 N ASP A 93 -20.344 18.764 -13.119 1.00 72.15 N ATOM 1472 CA ASP A 93 -21.061 17.496 -13.213 1.00 34.12 C ATOM 1473 C ASP A 93 -21.768 17.370 -14.559 1.00 20.11 C ATOM 1474 O ASP A 93 -22.983 17.188 -14.619 1.00 62.15 O ATOM 1475 CB ASP A 93 -22.076 17.375 -12.076 1.00 53.02 C ATOM 1476 CG ASP A 93 -22.560 15.951 -11.882 1.00 15.30 C ATOM 1477 OD1 ASP A 93 -21.773 15.121 -11.380 1.00 32.30 O1- ATOM 1478 OD2 ASP A 93 -23.725 15.667 -12.232 1.00 34.11 O ATOM 0 H ASP A 93 -20.945 19.584 -13.035 1.00 72.15 H new ATOM 0 HA ASP A 93 -20.334 16.688 -13.128 1.00 34.12 H new ATOM 0 HB2 ASP A 93 -21.625 17.732 -11.150 1.00 53.02 H new ATOM 0 HB3 ASP A 93 -22.929 18.021 -12.284 1.00 53.02 H new ATOM 1483 N VAL A 94 -20.998 17.470 -15.638 1.00 71.12 N ATOM 1484 CA VAL A 94 -21.550 17.368 -16.984 1.00 75.05 C ATOM 1485 C VAL A 94 -22.395 16.108 -17.136 1.00 71.12 C ATOM 1486 O VAL A 94 -22.118 15.081 -16.514 1.00 4.24 O ATOM 1487 CB VAL A 94 -20.436 17.357 -18.048 1.00 53.22 C ATOM 1488 CG1 VAL A 94 -19.787 18.728 -18.153 1.00 24.35 C ATOM 1489 CG2 VAL A 94 -19.401 16.291 -17.725 1.00 74.12 C ATOM 0 H VAL A 94 -19.990 17.622 -15.606 1.00 71.12 H new ATOM 0 HA VAL A 94 -22.179 18.245 -17.136 1.00 75.05 H new ATOM 0 HB VAL A 94 -20.881 17.117 -19.014 1.00 53.22 H new ATOM 0 HG11 VAL A 94 -19.002 18.702 -18.909 1.00 24.35 H new ATOM 0 HG12 VAL A 94 -20.538 19.466 -18.435 1.00 24.35 H new ATOM 0 HG13 VAL A 94 -19.354 19.000 -17.190 1.00 24.35 H new ATOM 0 HG21 VAL A 94 -18.622 16.298 -18.487 1.00 74.12 H new ATOM 0 HG22 VAL A 94 -18.958 16.498 -16.751 1.00 74.12 H new ATOM 0 HG23 VAL A 94 -19.881 15.312 -17.705 1.00 74.12 H new ATOM 1499 N LYS A 95 -23.427 16.192 -17.968 1.00 71.21 N ATOM 1500 CA LYS A 95 -24.314 15.058 -18.206 1.00 35.15 C ATOM 1501 C LYS A 95 -23.718 14.110 -19.242 1.00 42.53 C ATOM 1502 O LYS A 95 -24.017 12.916 -19.249 1.00 51.35 O ATOM 1503 CB LYS A 95 -25.686 15.547 -18.674 1.00 61.41 C ATOM 1504 CG LYS A 95 -26.407 16.407 -17.651 1.00 2.31 C ATOM 1505 CD LYS A 95 -27.313 15.574 -16.762 1.00 53.30 C ATOM 1506 CE LYS A 95 -28.770 15.689 -17.185 1.00 2.45 C ATOM 1507 NZ LYS A 95 -29.446 16.846 -16.534 1.00 5.13 N1+ ATOM 0 H LYS A 95 -23.671 17.034 -18.490 1.00 71.21 H new ATOM 0 HA LYS A 95 -24.430 14.515 -17.268 1.00 35.15 H new ATOM 0 HB2 LYS A 95 -25.564 16.118 -19.595 1.00 61.41 H new ATOM 0 HB3 LYS A 95 -26.308 14.684 -18.914 1.00 61.41 H new ATOM 0 HG2 LYS A 95 -25.676 16.933 -17.036 1.00 2.31 H new ATOM 0 HG3 LYS A 95 -26.997 17.166 -18.164 1.00 2.31 H new ATOM 0 HD2 LYS A 95 -27.003 14.530 -16.802 1.00 53.30 H new ATOM 0 HD3 LYS A 95 -27.207 15.899 -15.727 1.00 53.30 H new ATOM 0 HE2 LYS A 95 -28.826 15.798 -18.268 1.00 2.45 H new ATOM 0 HE3 LYS A 95 -29.296 14.770 -16.929 1.00 2.45 H new ATOM 0 HZ1 LYS A 95 -30.437 16.891 -16.847 1.00 5.13 H new ATOM 0 HZ2 LYS A 95 -29.415 16.730 -15.501 1.00 5.13 H new ATOM 0 HZ3 LYS A 95 -28.959 17.726 -16.799 1.00 5.13 H new ATOM 1521 N ASP A 96 -22.875 14.649 -20.115 1.00 12.20 N ATOM 1522 CA ASP A 96 -22.236 13.850 -21.154 1.00 4.02 C ATOM 1523 C ASP A 96 -20.806 14.320 -21.399 1.00 21.03 C ATOM 1524 O ASP A 96 -20.354 15.304 -20.811 1.00 75.22 O ATOM 1525 CB ASP A 96 -23.040 13.926 -22.453 1.00 41.34 C ATOM 1526 CG ASP A 96 -23.639 15.301 -22.683 1.00 72.21 C ATOM 1527 OD1 ASP A 96 -22.884 16.222 -23.059 1.00 53.10 O ATOM 1528 OD2 ASP A 96 -24.863 15.454 -22.489 1.00 52.42 O1- ATOM 0 H ASP A 96 -22.618 15.636 -20.124 1.00 12.20 H new ATOM 0 HA ASP A 96 -22.206 12.815 -20.814 1.00 4.02 H new ATOM 0 HB2 ASP A 96 -22.394 13.669 -23.292 1.00 41.34 H new ATOM 0 HB3 ASP A 96 -23.839 13.185 -22.427 1.00 41.34 H new ATOM 1533 N THR A 97 -20.095 13.611 -22.271 1.00 55.13 N ATOM 1534 CA THR A 97 -18.716 13.953 -22.592 1.00 14.32 C ATOM 1535 C THR A 97 -18.641 15.261 -23.370 1.00 22.32 C ATOM 1536 O THR A 97 -17.744 16.076 -23.152 1.00 51.12 O ATOM 1537 CB THR A 97 -18.036 12.841 -23.411 1.00 64.51 C ATOM 1538 OG1 THR A 97 -18.208 11.577 -22.760 1.00 52.35 O ATOM 1539 CG2 THR A 97 -16.554 13.128 -23.590 1.00 30.31 C ATOM 0 H THR A 97 -20.453 12.795 -22.768 1.00 55.13 H new ATOM 0 HA THR A 97 -18.190 14.067 -21.644 1.00 14.32 H new ATOM 0 HB THR A 97 -18.504 12.809 -24.395 1.00 64.51 H new ATOM 0 HG1 THR A 97 -18.647 10.951 -23.373 1.00 52.35 H new ATOM 0 HG21 THR A 97 -16.096 12.328 -24.172 1.00 30.31 H new ATOM 0 HG22 THR A 97 -16.428 14.076 -24.114 1.00 30.31 H new ATOM 0 HG23 THR A 97 -16.074 13.186 -22.613 1.00 30.31 H new ATOM 1547 N LYS A 98 -19.589 15.456 -24.281 1.00 2.25 N ATOM 1548 CA LYS A 98 -19.632 16.667 -25.092 1.00 44.05 C ATOM 1549 C LYS A 98 -19.632 17.913 -24.212 1.00 21.34 C ATOM 1550 O LYS A 98 -18.797 18.801 -24.379 1.00 21.13 O ATOM 1551 CB LYS A 98 -20.874 16.663 -25.986 1.00 65.52 C ATOM 1552 CG LYS A 98 -20.780 17.617 -27.164 1.00 70.13 C ATOM 1553 CD LYS A 98 -22.149 18.134 -27.574 1.00 14.02 C ATOM 1554 CE LYS A 98 -22.233 19.647 -27.449 1.00 20.20 C ATOM 1555 NZ LYS A 98 -23.023 20.252 -28.559 1.00 14.32 N1+ ATOM 0 H LYS A 98 -20.337 14.791 -24.476 1.00 2.25 H new ATOM 0 HA LYS A 98 -18.740 16.686 -25.718 1.00 44.05 H new ATOM 0 HB2 LYS A 98 -21.039 15.653 -26.360 1.00 65.52 H new ATOM 0 HB3 LYS A 98 -21.744 16.926 -25.385 1.00 65.52 H new ATOM 0 HG2 LYS A 98 -20.136 18.457 -26.903 1.00 70.13 H new ATOM 0 HG3 LYS A 98 -20.314 17.109 -28.008 1.00 70.13 H new ATOM 0 HD2 LYS A 98 -22.357 17.841 -28.603 1.00 14.02 H new ATOM 0 HD3 LYS A 98 -22.915 17.673 -26.950 1.00 14.02 H new ATOM 0 HE2 LYS A 98 -22.689 19.908 -26.494 1.00 20.20 H new ATOM 0 HE3 LYS A 98 -21.228 20.068 -27.447 1.00 20.20 H new ATOM 0 HZ1 LYS A 98 -23.057 21.284 -28.438 1.00 14.32 H new ATOM 0 HZ2 LYS A 98 -22.574 20.025 -29.469 1.00 14.32 H new ATOM 0 HZ3 LYS A 98 -23.990 19.870 -28.545 1.00 14.32 H new ATOM 1569 N GLU A 99 -20.572 17.970 -23.274 1.00 61.34 N ATOM 1570 CA GLU A 99 -20.678 19.107 -22.367 1.00 72.34 C ATOM 1571 C GLU A 99 -19.360 19.344 -21.636 1.00 30.35 C ATOM 1572 O GLU A 99 -18.952 20.486 -21.424 1.00 12.41 O ATOM 1573 CB GLU A 99 -21.801 18.877 -21.354 1.00 45.33 C ATOM 1574 CG GLU A 99 -22.765 20.046 -21.239 1.00 73.33 C ATOM 1575 CD GLU A 99 -23.682 20.167 -22.441 1.00 32.24 C ATOM 1576 OE1 GLU A 99 -23.383 19.539 -23.479 1.00 53.43 O ATOM 1577 OE2 GLU A 99 -24.696 20.889 -22.345 1.00 32.11 O1- ATOM 0 H GLU A 99 -21.271 17.243 -23.122 1.00 61.34 H new ATOM 0 HA GLU A 99 -20.909 19.992 -22.960 1.00 72.34 H new ATOM 0 HB2 GLU A 99 -22.358 17.984 -21.638 1.00 45.33 H new ATOM 0 HB3 GLU A 99 -21.362 18.681 -20.376 1.00 45.33 H new ATOM 0 HG2 GLU A 99 -23.367 19.928 -20.338 1.00 73.33 H new ATOM 0 HG3 GLU A 99 -22.198 20.970 -21.125 1.00 73.33 H new ATOM 1584 N ALA A 100 -18.698 18.257 -21.252 1.00 4.12 N ATOM 1585 CA ALA A 100 -17.425 18.346 -20.547 1.00 42.24 C ATOM 1586 C ALA A 100 -16.374 19.048 -21.398 1.00 23.32 C ATOM 1587 O ALA A 100 -15.527 19.778 -20.881 1.00 62.13 O ATOM 1588 CB ALA A 100 -16.946 16.959 -20.147 1.00 1.23 C ATOM 0 H ALA A 100 -19.023 17.304 -21.417 1.00 4.12 H new ATOM 0 HA ALA A 100 -17.577 18.939 -19.645 1.00 42.24 H new ATOM 0 HB1 ALA A 100 -15.995 17.040 -19.621 1.00 1.23 H new ATOM 0 HB2 ALA A 100 -17.683 16.494 -19.493 1.00 1.23 H new ATOM 0 HB3 ALA A 100 -16.816 16.347 -21.040 1.00 1.23 H new ATOM 1594 N LEU A 101 -16.431 18.822 -22.706 1.00 32.42 N ATOM 1595 CA LEU A 101 -15.482 19.432 -23.631 1.00 32.32 C ATOM 1596 C LEU A 101 -15.771 20.919 -23.805 1.00 31.12 C ATOM 1597 O LEU A 101 -14.852 21.730 -23.929 1.00 71.22 O ATOM 1598 CB LEU A 101 -15.537 18.728 -24.988 1.00 12.33 C ATOM 1599 CG LEU A 101 -15.253 17.225 -24.977 1.00 11.41 C ATOM 1600 CD1 LEU A 101 -15.748 16.579 -26.261 1.00 52.03 C ATOM 1601 CD2 LEU A 101 -13.765 16.965 -24.786 1.00 5.52 C ATOM 0 H LEU A 101 -17.125 18.220 -23.150 1.00 32.42 H new ATOM 0 HA LEU A 101 -14.482 19.321 -23.212 1.00 32.32 H new ATOM 0 HB2 LEU A 101 -16.526 18.887 -25.418 1.00 12.33 H new ATOM 0 HB3 LEU A 101 -14.819 19.208 -25.653 1.00 12.33 H new ATOM 0 HG LEU A 101 -15.790 16.779 -24.140 1.00 11.41 H new ATOM 0 HD11 LEU A 101 -15.537 15.510 -26.235 1.00 52.03 H new ATOM 0 HD12 LEU A 101 -16.823 16.735 -26.356 1.00 52.03 H new ATOM 0 HD13 LEU A 101 -15.239 17.028 -27.114 1.00 52.03 H new ATOM 0 HD21 LEU A 101 -13.581 15.891 -24.781 1.00 5.52 H new ATOM 0 HD22 LEU A 101 -13.208 17.424 -25.602 1.00 5.52 H new ATOM 0 HD23 LEU A 101 -13.439 17.394 -23.838 1.00 5.52 H new ATOM 1613 N ASP A 102 -17.051 21.271 -23.811 1.00 42.13 N ATOM 1614 CA ASP A 102 -17.462 22.662 -23.966 1.00 52.30 C ATOM 1615 C ASP A 102 -17.129 23.469 -22.715 1.00 23.11 C ATOM 1616 O ASP A 102 -16.826 24.660 -22.793 1.00 30.14 O ATOM 1617 CB ASP A 102 -18.961 22.744 -24.258 1.00 54.30 C ATOM 1618 CG ASP A 102 -19.326 23.972 -25.070 1.00 31.52 C ATOM 1619 OD1 ASP A 102 -19.179 25.096 -24.546 1.00 34.12 O ATOM 1620 OD2 ASP A 102 -19.757 23.808 -26.230 1.00 71.34 O1- ATOM 0 H ASP A 102 -17.823 20.612 -23.710 1.00 42.13 H new ATOM 0 HA ASP A 102 -16.913 23.086 -24.807 1.00 52.30 H new ATOM 0 HB2 ASP A 102 -19.273 21.849 -24.797 1.00 54.30 H new ATOM 0 HB3 ASP A 102 -19.511 22.757 -23.317 1.00 54.30 H new ATOM 1625 N LYS A 103 -17.190 22.814 -21.560 1.00 44.11 N ATOM 1626 CA LYS A 103 -16.896 23.469 -20.292 1.00 3.13 C ATOM 1627 C LYS A 103 -15.406 23.770 -20.167 1.00 71.43 C ATOM 1628 O LYS A 103 -15.009 24.917 -19.962 1.00 43.23 O ATOM 1629 CB LYS A 103 -17.350 22.591 -19.123 1.00 2.23 C ATOM 1630 CG LYS A 103 -18.727 22.951 -18.592 1.00 74.41 C ATOM 1631 CD LYS A 103 -18.666 24.130 -17.637 1.00 52.34 C ATOM 1632 CE LYS A 103 -19.436 25.326 -18.177 1.00 12.25 C ATOM 1633 NZ LYS A 103 -19.633 26.374 -17.137 1.00 52.33 N1+ ATOM 0 H LYS A 103 -17.441 21.829 -21.477 1.00 44.11 H new ATOM 0 HA LYS A 103 -17.442 24.412 -20.264 1.00 3.13 H new ATOM 0 HB2 LYS A 103 -17.354 21.549 -19.442 1.00 2.23 H new ATOM 0 HB3 LYS A 103 -16.624 22.674 -18.314 1.00 2.23 H new ATOM 0 HG2 LYS A 103 -19.388 23.190 -19.425 1.00 74.41 H new ATOM 0 HG3 LYS A 103 -19.157 22.090 -18.081 1.00 74.41 H new ATOM 0 HD2 LYS A 103 -19.077 23.838 -16.670 1.00 52.34 H new ATOM 0 HD3 LYS A 103 -17.626 24.411 -17.470 1.00 52.34 H new ATOM 0 HE2 LYS A 103 -18.898 25.752 -19.024 1.00 12.25 H new ATOM 0 HE3 LYS A 103 -20.406 24.996 -18.548 1.00 12.25 H new ATOM 0 HZ1 LYS A 103 -20.161 27.172 -17.544 1.00 52.33 H new ATOM 0 HZ2 LYS A 103 -20.168 25.975 -16.339 1.00 52.33 H new ATOM 0 HZ3 LYS A 103 -18.707 26.708 -16.801 1.00 52.33 H new ATOM 1647 N ILE A 104 -14.586 22.732 -20.293 1.00 71.43 N ATOM 1648 CA ILE A 104 -13.139 22.885 -20.197 1.00 3.20 C ATOM 1649 C ILE A 104 -12.617 23.843 -21.261 1.00 4.55 C ATOM 1650 O ILE A 104 -11.674 24.598 -21.022 1.00 21.42 O ATOM 1651 CB ILE A 104 -12.418 21.532 -20.341 1.00 63.25 C ATOM 1652 CG1 ILE A 104 -12.912 20.550 -19.277 1.00 41.22 C ATOM 1653 CG2 ILE A 104 -10.912 21.721 -20.238 1.00 73.33 C ATOM 1654 CD1 ILE A 104 -12.449 19.128 -19.505 1.00 53.34 C ATOM 0 H ILE A 104 -14.899 21.776 -20.462 1.00 71.43 H new ATOM 0 HA ILE A 104 -12.930 23.294 -19.209 1.00 3.20 H new ATOM 0 HB ILE A 104 -12.646 21.118 -21.323 1.00 63.25 H new ATOM 0 HG12 ILE A 104 -12.567 20.883 -18.298 1.00 41.22 H new ATOM 0 HG13 ILE A 104 -14.002 20.569 -19.254 1.00 41.22 H new ATOM 0 HG21 ILE A 104 -10.416 20.756 -20.342 1.00 73.33 H new ATOM 0 HG22 ILE A 104 -10.574 22.389 -21.030 1.00 73.33 H new ATOM 0 HG23 ILE A 104 -10.665 22.153 -19.268 1.00 73.33 H new ATOM 0 HD11 ILE A 104 -12.837 18.488 -18.713 1.00 53.34 H new ATOM 0 HD12 ILE A 104 -12.817 18.776 -20.469 1.00 53.34 H new ATOM 0 HD13 ILE A 104 -11.360 19.095 -19.498 1.00 53.34 H new ATOM 1666 N GLU A 105 -13.236 23.808 -22.438 1.00 14.50 N ATOM 1667 CA GLU A 105 -12.834 24.675 -23.539 1.00 13.25 C ATOM 1668 C GLU A 105 -13.168 26.133 -23.235 1.00 53.24 C ATOM 1669 O GLU A 105 -12.326 27.017 -23.382 1.00 71.15 O ATOM 1670 CB GLU A 105 -13.521 24.242 -24.835 1.00 33.45 C ATOM 1671 CG GLU A 105 -12.801 23.114 -25.557 1.00 2.32 C ATOM 1672 CD GLU A 105 -11.791 23.620 -26.569 1.00 63.24 C ATOM 1673 OE1 GLU A 105 -10.965 24.480 -26.205 1.00 14.14 O1- ATOM 1674 OE2 GLU A 105 -11.829 23.154 -27.728 1.00 42.22 O ATOM 0 H GLU A 105 -14.017 23.189 -22.653 1.00 14.50 H new ATOM 0 HA GLU A 105 -11.755 24.586 -23.661 1.00 13.25 H new ATOM 0 HB2 GLU A 105 -14.539 23.926 -24.609 1.00 33.45 H new ATOM 0 HB3 GLU A 105 -13.595 25.101 -25.502 1.00 33.45 H new ATOM 0 HG2 GLU A 105 -12.293 22.485 -24.826 1.00 2.32 H new ATOM 0 HG3 GLU A 105 -13.534 22.486 -26.063 1.00 2.32 H new ATOM 1681 N GLU A 106 -14.406 26.374 -22.811 1.00 74.43 N ATOM 1682 CA GLU A 106 -14.853 27.722 -22.489 1.00 12.51 C ATOM 1683 C GLU A 106 -14.082 28.281 -21.296 1.00 75.41 C ATOM 1684 O GLU A 106 -13.932 29.494 -21.153 1.00 61.21 O ATOM 1685 CB GLU A 106 -16.353 27.729 -22.188 1.00 30.10 C ATOM 1686 CG GLU A 106 -17.222 27.827 -23.430 1.00 62.14 C ATOM 1687 CD GLU A 106 -17.420 29.258 -23.892 1.00 33.22 C ATOM 1688 OE1 GLU A 106 -17.080 30.181 -23.123 1.00 24.31 O ATOM 1689 OE2 GLU A 106 -17.914 29.453 -25.022 1.00 2.41 O1- ATOM 0 H GLU A 106 -15.115 25.652 -22.683 1.00 74.43 H new ATOM 0 HA GLU A 106 -14.661 28.356 -23.354 1.00 12.51 H new ATOM 0 HB2 GLU A 106 -16.610 26.819 -21.645 1.00 30.10 H new ATOM 0 HB3 GLU A 106 -16.579 28.568 -21.529 1.00 30.10 H new ATOM 0 HG2 GLU A 106 -16.766 27.249 -24.234 1.00 62.14 H new ATOM 0 HG3 GLU A 106 -18.194 27.377 -23.225 1.00 62.14 H new ATOM 1696 N GLU A 107 -13.595 27.385 -20.442 1.00 51.54 N ATOM 1697 CA GLU A 107 -12.842 27.788 -19.260 1.00 24.12 C ATOM 1698 C GLU A 107 -11.399 28.128 -19.625 1.00 43.41 C ATOM 1699 O GLU A 107 -10.751 28.930 -18.953 1.00 74.13 O ATOM 1700 CB GLU A 107 -12.865 26.677 -18.209 1.00 20.14 C ATOM 1701 CG GLU A 107 -12.899 27.192 -16.779 1.00 30.32 C ATOM 1702 CD GLU A 107 -11.512 27.368 -16.190 1.00 63.11 C ATOM 1703 OE1 GLU A 107 -10.929 28.459 -16.362 1.00 53.13 O1- ATOM 1704 OE2 GLU A 107 -11.011 26.415 -15.558 1.00 41.22 O ATOM 0 H GLU A 107 -13.709 26.377 -20.547 1.00 51.54 H new ATOM 0 HA GLU A 107 -13.314 28.679 -18.846 1.00 24.12 H new ATOM 0 HB2 GLU A 107 -13.737 26.045 -18.379 1.00 20.14 H new ATOM 0 HB3 GLU A 107 -11.985 26.047 -18.339 1.00 20.14 H new ATOM 0 HG2 GLU A 107 -13.425 28.146 -16.753 1.00 30.32 H new ATOM 0 HG3 GLU A 107 -13.467 26.498 -16.160 1.00 30.32 H new ATOM 1711 N GLN A 108 -10.906 27.513 -20.694 1.00 34.44 N ATOM 1712 CA GLN A 108 -9.540 27.749 -21.148 1.00 53.31 C ATOM 1713 C GLN A 108 -9.467 28.988 -22.034 1.00 1.41 C ATOM 1714 O GLN A 108 -8.448 29.676 -22.073 1.00 31.50 O ATOM 1715 CB GLN A 108 -9.015 26.531 -21.910 1.00 65.31 C ATOM 1716 CG GLN A 108 -7.567 26.666 -22.350 1.00 5.13 C ATOM 1717 CD GLN A 108 -6.638 27.014 -21.203 1.00 72.41 C ATOM 1718 OE1 GLN A 108 -6.861 26.604 -20.063 1.00 21.51 O ATOM 1719 NE2 GLN A 108 -5.591 27.774 -21.498 1.00 31.02 N ATOM 0 H GLN A 108 -11.431 26.848 -21.262 1.00 34.44 H new ATOM 0 HA GLN A 108 -8.916 27.915 -20.270 1.00 53.31 H new ATOM 0 HB2 GLN A 108 -9.113 25.648 -21.279 1.00 65.31 H new ATOM 0 HB3 GLN A 108 -9.639 26.366 -22.788 1.00 65.31 H new ATOM 0 HG2 GLN A 108 -7.241 25.731 -22.806 1.00 5.13 H new ATOM 0 HG3 GLN A 108 -7.495 27.437 -23.118 1.00 5.13 H new ATOM 0 HE21 GLN A 108 -5.445 28.091 -22.456 1.00 31.02 H new ATOM 0 HE22 GLN A 108 -4.932 28.041 -20.766 1.00 31.02 H new ATOM 1728 N ASN A 109 -10.556 29.267 -22.743 1.00 32.12 N ATOM 1729 CA ASN A 109 -10.615 30.424 -23.629 1.00 4.14 C ATOM 1730 C ASN A 109 -10.297 31.708 -22.870 1.00 32.02 C ATOM 1731 O ASN A 109 -9.688 32.631 -23.414 1.00 62.34 O ATOM 1732 CB ASN A 109 -11.999 30.528 -24.274 1.00 12.13 C ATOM 1733 CG ASN A 109 -11.928 30.934 -25.733 1.00 5.42 C ATOM 1734 OD1 ASN A 109 -12.515 31.936 -26.140 1.00 44.41 O ATOM 1735 ND2 ASN A 109 -11.205 30.154 -26.529 1.00 5.44 N ATOM 0 H ASN A 109 -11.409 28.708 -22.721 1.00 32.12 H new ATOM 0 HA ASN A 109 -9.866 30.291 -24.410 1.00 4.14 H new ATOM 0 HB2 ASN A 109 -12.508 29.568 -24.191 1.00 12.13 H new ATOM 0 HB3 ASN A 109 -12.598 31.255 -23.726 1.00 12.13 H new ATOM 0 HD21 ASN A 109 -11.120 30.377 -27.521 1.00 5.44 H new ATOM 0 HD22 ASN A 109 -10.735 29.333 -26.148 1.00 5.44 H new ATOM 1742 N LYS A 110 -10.712 31.761 -21.609 1.00 41.43 N ATOM 1743 CA LYS A 110 -10.471 32.931 -20.772 1.00 21.30 C ATOM 1744 C LYS A 110 -8.979 33.113 -20.508 1.00 61.41 C ATOM 1745 O LYS A 110 -8.420 34.179 -20.764 1.00 63.11 O ATOM 1746 CB LYS A 110 -11.222 32.798 -19.445 1.00 2.41 C ATOM 1747 CG LYS A 110 -11.166 34.050 -18.587 1.00 51.23 C ATOM 1748 CD LYS A 110 -11.993 35.175 -19.187 1.00 72.23 C ATOM 1749 CE LYS A 110 -13.349 35.293 -18.507 1.00 71.32 C ATOM 1750 NZ LYS A 110 -14.470 35.134 -19.474 1.00 23.15 N1+ ATOM 0 H LYS A 110 -11.217 31.007 -21.144 1.00 41.43 H new ATOM 0 HA LYS A 110 -10.838 33.809 -21.304 1.00 21.30 H new ATOM 0 HB2 LYS A 110 -12.264 32.554 -19.650 1.00 2.41 H new ATOM 0 HB3 LYS A 110 -10.804 31.963 -18.883 1.00 2.41 H new ATOM 0 HG2 LYS A 110 -11.532 33.823 -17.586 1.00 51.23 H new ATOM 0 HG3 LYS A 110 -10.131 34.374 -18.482 1.00 51.23 H new ATOM 0 HD2 LYS A 110 -11.453 36.117 -19.090 1.00 72.23 H new ATOM 0 HD3 LYS A 110 -12.134 34.996 -20.253 1.00 72.23 H new ATOM 0 HE2 LYS A 110 -13.432 34.536 -17.728 1.00 71.32 H new ATOM 0 HE3 LYS A 110 -13.427 36.264 -18.017 1.00 71.32 H new ATOM 0 HZ1 LYS A 110 -15.377 35.221 -18.972 1.00 23.15 H new ATOM 0 HZ2 LYS A 110 -14.406 35.872 -20.204 1.00 23.15 H new ATOM 0 HZ3 LYS A 110 -14.411 34.198 -19.923 1.00 23.15 H new ATOM 1764 N SER A 111 -8.342 32.066 -19.996 1.00 62.30 N ATOM 1765 CA SER A 111 -6.915 32.111 -19.695 1.00 65.51 C ATOM 1766 C SER A 111 -6.102 32.364 -20.961 1.00 11.24 C ATOM 1767 O SER A 111 -5.000 32.911 -20.906 1.00 12.34 O ATOM 1768 CB SER A 111 -6.469 30.802 -19.042 1.00 12.32 C ATOM 1769 OG SER A 111 -5.632 31.049 -17.925 1.00 32.42 O ATOM 0 H SER A 111 -8.791 31.176 -19.781 1.00 62.30 H new ATOM 0 HA SER A 111 -6.740 32.933 -19.001 1.00 65.51 H new ATOM 0 HB2 SER A 111 -7.343 30.233 -18.726 1.00 12.32 H new ATOM 0 HB3 SER A 111 -5.937 30.191 -19.771 1.00 12.32 H new ATOM 0 HG SER A 111 -5.362 30.197 -17.524 1.00 32.42 H new ATOM 1775 N LYS A 112 -6.653 31.963 -22.102 1.00 12.12 N ATOM 1776 CA LYS A 112 -5.980 32.146 -23.383 1.00 41.22 C ATOM 1777 C LYS A 112 -5.784 33.628 -23.687 1.00 73.12 C ATOM 1778 O LYS A 112 -4.848 34.009 -24.390 1.00 42.32 O ATOM 1779 CB LYS A 112 -6.787 31.487 -24.503 1.00 45.11 C ATOM 1780 CG LYS A 112 -6.100 30.280 -25.120 1.00 15.51 C ATOM 1781 CD LYS A 112 -5.227 30.677 -26.298 1.00 64.53 C ATOM 1782 CE LYS A 112 -5.642 29.949 -27.568 1.00 41.22 C ATOM 1783 NZ LYS A 112 -5.122 28.555 -27.604 1.00 13.42 N1+ ATOM 0 H LYS A 112 -7.564 31.509 -22.166 1.00 12.12 H new ATOM 0 HA LYS A 112 -5.000 31.673 -23.322 1.00 41.22 H new ATOM 0 HB2 LYS A 112 -7.756 31.181 -24.109 1.00 45.11 H new ATOM 0 HB3 LYS A 112 -6.978 32.224 -25.283 1.00 45.11 H new ATOM 0 HG2 LYS A 112 -5.491 29.782 -24.366 1.00 15.51 H new ATOM 0 HG3 LYS A 112 -6.851 29.561 -25.448 1.00 15.51 H new ATOM 0 HD2 LYS A 112 -5.294 31.753 -26.456 1.00 64.53 H new ATOM 0 HD3 LYS A 112 -4.185 30.452 -26.072 1.00 64.53 H new ATOM 0 HE2 LYS A 112 -6.730 29.933 -27.638 1.00 41.22 H new ATOM 0 HE3 LYS A 112 -5.275 30.496 -28.436 1.00 41.22 H new ATOM 0 HZ1 LYS A 112 -5.427 28.093 -28.485 1.00 13.42 H new ATOM 0 HZ2 LYS A 112 -4.083 28.571 -27.563 1.00 13.42 H new ATOM 0 HZ3 LYS A 112 -5.493 28.025 -26.789 1.00 13.42 H new ATOM 1797 N LYS A 113 -6.672 34.460 -23.152 1.00 34.35 N ATOM 1798 CA LYS A 113 -6.595 35.901 -23.362 1.00 32.54 C ATOM 1799 C LYS A 113 -5.691 36.556 -22.323 1.00 32.32 C ATOM 1800 O LYS A 113 -4.945 37.486 -22.631 1.00 72.14 O ATOM 1801 CB LYS A 113 -7.992 36.521 -23.302 1.00 74.42 C ATOM 1802 CG LYS A 113 -8.673 36.620 -24.657 1.00 11.13 C ATOM 1803 CD LYS A 113 -9.605 37.818 -24.725 1.00 60.22 C ATOM 1804 CE LYS A 113 -10.236 37.955 -26.103 1.00 33.21 C ATOM 1805 NZ LYS A 113 -10.821 39.308 -26.312 1.00 70.33 N1+ ATOM 0 H LYS A 113 -7.454 34.160 -22.569 1.00 34.35 H new ATOM 0 HA LYS A 113 -6.168 36.076 -24.350 1.00 32.54 H new ATOM 0 HB2 LYS A 113 -8.616 35.927 -22.634 1.00 74.42 H new ATOM 0 HB3 LYS A 113 -7.919 37.518 -22.868 1.00 74.42 H new ATOM 0 HG2 LYS A 113 -7.919 36.700 -25.440 1.00 11.13 H new ATOM 0 HG3 LYS A 113 -9.237 35.707 -24.850 1.00 11.13 H new ATOM 0 HD2 LYS A 113 -10.388 37.715 -23.974 1.00 60.22 H new ATOM 0 HD3 LYS A 113 -9.051 38.726 -24.485 1.00 60.22 H new ATOM 0 HE2 LYS A 113 -9.484 37.762 -26.868 1.00 33.21 H new ATOM 0 HE3 LYS A 113 -11.013 37.200 -26.223 1.00 33.21 H new ATOM 0 HZ1 LYS A 113 -11.241 39.362 -27.262 1.00 70.33 H new ATOM 0 HZ2 LYS A 113 -11.557 39.482 -25.598 1.00 70.33 H new ATOM 0 HZ3 LYS A 113 -10.075 40.027 -26.222 1.00 70.33 H new ATOM 1819 N LYS A 114 -5.761 36.063 -21.091 1.00 31.24 N ATOM 1820 CA LYS A 114 -4.947 36.597 -20.006 1.00 54.50 C ATOM 1821 C LYS A 114 -3.462 36.391 -20.286 1.00 11.31 C ATOM 1822 O LYS A 114 -2.621 37.161 -19.823 1.00 1.04 O ATOM 1823 CB LYS A 114 -5.324 35.930 -18.681 1.00 62.11 C ATOM 1824 CG LYS A 114 -6.723 36.275 -18.203 1.00 51.33 C ATOM 1825 CD LYS A 114 -6.781 36.400 -16.689 1.00 33.13 C ATOM 1826 CE LYS A 114 -8.216 36.442 -16.187 1.00 12.41 C ATOM 1827 NZ LYS A 114 -8.951 37.628 -16.707 1.00 20.21 N1+ ATOM 0 H LYS A 114 -6.374 35.294 -20.819 1.00 31.24 H new ATOM 0 HA LYS A 114 -5.140 37.667 -19.935 1.00 54.50 H new ATOM 0 HB2 LYS A 114 -5.244 34.849 -18.792 1.00 62.11 H new ATOM 0 HB3 LYS A 114 -4.605 36.226 -17.917 1.00 62.11 H new ATOM 0 HG2 LYS A 114 -7.043 37.212 -18.659 1.00 51.33 H new ATOM 0 HG3 LYS A 114 -7.421 35.505 -18.532 1.00 51.33 H new ATOM 0 HD2 LYS A 114 -6.260 35.558 -16.233 1.00 33.13 H new ATOM 0 HD3 LYS A 114 -6.259 37.305 -16.377 1.00 33.13 H new ATOM 0 HE2 LYS A 114 -8.734 35.532 -16.491 1.00 12.41 H new ATOM 0 HE3 LYS A 114 -8.219 36.462 -15.097 1.00 12.41 H new ATOM 0 HZ1 LYS A 114 -9.890 37.676 -16.263 1.00 20.21 H new ATOM 0 HZ2 LYS A 114 -8.418 38.492 -16.483 1.00 20.21 H new ATOM 0 HZ3 LYS A 114 -9.059 37.545 -17.738 1.00 20.21 H new ATOM 1841 N ALA A 115 -3.147 35.349 -21.047 1.00 23.40 N ATOM 1842 CA ALA A 115 -1.764 35.044 -21.392 1.00 42.12 C ATOM 1843 C ALA A 115 -1.162 36.140 -22.264 1.00 2.23 C ATOM 1844 O ALA A 115 0.054 36.330 -22.286 1.00 13.20 O ATOM 1845 CB ALA A 115 -1.681 33.699 -22.098 1.00 24.32 C ATOM 0 H ALA A 115 -3.831 34.701 -21.437 1.00 23.40 H new ATOM 0 HA ALA A 115 -1.187 34.993 -20.469 1.00 42.12 H new ATOM 0 HB1 ALA A 115 -0.643 33.484 -22.350 1.00 24.32 H new ATOM 0 HB2 ALA A 115 -2.064 32.919 -21.440 1.00 24.32 H new ATOM 0 HB3 ALA A 115 -2.277 33.730 -23.010 1.00 24.32 H new ATOM 1851 N GLN A 116 -2.020 36.858 -22.982 1.00 32.01 N ATOM 1852 CA GLN A 116 -1.571 37.934 -23.856 1.00 4.11 C ATOM 1853 C GLN A 116 -1.904 39.297 -23.258 1.00 43.32 C ATOM 1854 O GLN A 116 -2.242 40.236 -23.979 1.00 21.44 O ATOM 1855 CB GLN A 116 -2.214 37.799 -25.238 1.00 3.52 C ATOM 1856 CG GLN A 116 -1.302 38.225 -26.377 1.00 20.34 C ATOM 1857 CD GLN A 116 -1.888 37.915 -27.741 1.00 1.22 C ATOM 1858 OE1 GLN A 116 -2.965 38.400 -28.091 1.00 11.01 O ATOM 1859 NE2 GLN A 116 -1.182 37.104 -28.519 1.00 34.43 N ATOM 0 H GLN A 116 -3.030 36.714 -22.975 1.00 32.01 H new ATOM 0 HA GLN A 116 -0.488 37.857 -23.957 1.00 4.11 H new ATOM 0 HB2 GLN A 116 -2.513 36.762 -25.391 1.00 3.52 H new ATOM 0 HB3 GLN A 116 -3.123 38.400 -25.267 1.00 3.52 H new ATOM 0 HG2 GLN A 116 -1.110 39.295 -26.303 1.00 20.34 H new ATOM 0 HG3 GLN A 116 -0.341 37.721 -26.276 1.00 20.34 H new ATOM 0 HE21 GLN A 116 -0.295 36.725 -28.189 1.00 34.43 H new ATOM 0 HE22 GLN A 116 -1.527 36.860 -29.447 1.00 34.43 H new ATOM 1868 N GLN A 117 -1.809 39.398 -21.937 1.00 33.24 N ATOM 1869 CA GLN A 117 -2.101 40.646 -21.242 1.00 70.50 C ATOM 1870 C GLN A 117 -0.883 41.563 -21.235 1.00 14.22 C ATOM 1871 O GLN A 117 -1.014 42.785 -21.172 1.00 44.43 O ATOM 1872 CB GLN A 117 -2.550 40.362 -19.808 1.00 1.32 C ATOM 1873 CG GLN A 117 -1.438 39.840 -18.914 1.00 23.13 C ATOM 1874 CD GLN A 117 -0.812 40.928 -18.064 1.00 63.23 C ATOM 1875 OE1 GLN A 117 -0.837 42.105 -18.424 1.00 44.03 O ATOM 1876 NE2 GLN A 117 -0.246 40.539 -16.927 1.00 23.14 N ATOM 0 H GLN A 117 -1.532 38.630 -21.326 1.00 33.24 H new ATOM 0 HA GLN A 117 -2.908 41.149 -21.775 1.00 70.50 H new ATOM 0 HB2 GLN A 117 -2.954 41.277 -19.375 1.00 1.32 H new ATOM 0 HB3 GLN A 117 -3.361 39.634 -19.828 1.00 1.32 H new ATOM 0 HG2 GLN A 117 -1.835 39.060 -18.264 1.00 23.13 H new ATOM 0 HG3 GLN A 117 -0.667 39.378 -19.531 1.00 23.13 H new ATOM 0 HE21 GLN A 117 -0.248 39.553 -16.668 1.00 23.14 H new ATOM 0 HE22 GLN A 117 0.191 41.227 -16.313 1.00 23.14 H new ATOM 1885 N ALA A 118 0.302 40.966 -21.299 1.00 71.24 N ATOM 1886 CA ALA A 118 1.543 41.729 -21.301 1.00 33.25 C ATOM 1887 C ALA A 118 1.724 42.481 -22.616 1.00 51.45 C ATOM 1888 O ALA A 118 2.122 43.645 -22.626 1.00 31.55 O ATOM 1889 CB ALA A 118 2.729 40.809 -21.051 1.00 11.14 C ATOM 0 H ALA A 118 0.429 39.955 -21.350 1.00 71.24 H new ATOM 0 HA ALA A 118 1.490 42.463 -20.497 1.00 33.25 H new ATOM 0 HB1 ALA A 118 3.650 41.393 -21.055 1.00 11.14 H new ATOM 0 HB2 ALA A 118 2.613 40.321 -20.083 1.00 11.14 H new ATOM 0 HB3 ALA A 118 2.775 40.053 -21.835 1.00 11.14 H new ATOM 1895 N ALA A 119 1.426 41.808 -23.723 1.00 12.04 N ATOM 1896 CA ALA A 119 1.554 42.413 -25.042 1.00 1.35 C ATOM 1897 C ALA A 119 0.218 42.968 -25.523 1.00 61.52 C ATOM 1898 O ALA A 119 -0.144 42.817 -26.690 1.00 72.22 O ATOM 1899 CB ALA A 119 2.097 41.398 -26.038 1.00 44.40 C ATOM 0 H ALA A 119 1.094 40.843 -23.732 1.00 12.04 H new ATOM 0 HA ALA A 119 2.256 43.243 -24.968 1.00 1.35 H new ATOM 0 HB1 ALA A 119 2.187 41.864 -27.019 1.00 44.40 H new ATOM 0 HB2 ALA A 119 3.077 41.053 -25.708 1.00 44.40 H new ATOM 0 HB3 ALA A 119 1.416 40.549 -26.101 1.00 44.40 H new ATOM 1905 N ALA A 120 -0.512 43.610 -24.618 1.00 54.42 N ATOM 1906 CA ALA A 120 -1.807 44.188 -24.950 1.00 42.53 C ATOM 1907 C ALA A 120 -2.137 45.362 -24.035 1.00 12.55 C ATOM 1908 O ALA A 120 -3.305 45.645 -23.767 1.00 40.30 O ATOM 1909 CB ALA A 120 -2.897 43.129 -24.865 1.00 35.54 C ATOM 0 H ALA A 120 -0.228 43.743 -23.647 1.00 54.42 H new ATOM 0 HA ALA A 120 -1.757 44.561 -25.973 1.00 42.53 H new ATOM 0 HB1 ALA A 120 -3.859 43.576 -25.116 1.00 35.54 H new ATOM 0 HB2 ALA A 120 -2.677 42.324 -25.566 1.00 35.54 H new ATOM 0 HB3 ALA A 120 -2.936 42.728 -23.852 1.00 35.54 H new ATOM 1915 N ASP A 121 -1.100 46.042 -23.556 1.00 74.00 N ATOM 1916 CA ASP A 121 -1.280 47.186 -22.670 1.00 31.41 C ATOM 1917 C ASP A 121 -1.137 48.496 -23.439 1.00 54.41 C ATOM 1918 O ASP A 121 -0.667 49.498 -22.898 1.00 20.21 O ATOM 1919 CB ASP A 121 -0.264 47.138 -21.527 1.00 22.55 C ATOM 1920 CG ASP A 121 -0.661 46.158 -20.441 1.00 54.11 C ATOM 1921 OD1 ASP A 121 -1.861 46.106 -20.099 1.00 43.22 O1- ATOM 1922 OD2 ASP A 121 0.228 45.444 -19.931 1.00 54.22 O ATOM 0 H ASP A 121 -0.127 45.821 -23.767 1.00 74.00 H new ATOM 0 HA ASP A 121 -2.286 47.137 -22.254 1.00 31.41 H new ATOM 0 HB2 ASP A 121 0.712 46.860 -21.924 1.00 22.55 H new ATOM 0 HB3 ASP A 121 -0.161 48.133 -21.094 1.00 22.55 H new ATOM 1927 N THR A 122 -1.545 48.482 -24.703 1.00 62.41 N ATOM 1928 CA THR A 122 -1.461 49.667 -25.548 1.00 15.32 C ATOM 1929 C THR A 122 -2.775 50.439 -25.543 1.00 4.44 C ATOM 1930 O THR A 122 -3.739 50.039 -24.892 1.00 62.31 O ATOM 1931 CB THR A 122 -1.100 49.299 -26.999 1.00 35.52 C ATOM 1932 OG1 THR A 122 -2.007 48.307 -27.493 1.00 14.15 O ATOM 1933 CG2 THR A 122 0.327 48.778 -27.086 1.00 60.52 C ATOM 0 H THR A 122 -1.938 47.662 -25.165 1.00 62.41 H new ATOM 0 HA THR A 122 -0.672 50.295 -25.134 1.00 15.32 H new ATOM 0 HB THR A 122 -1.179 50.199 -27.609 1.00 35.52 H new ATOM 0 HG1 THR A 122 -2.904 48.477 -27.136 1.00 14.15 H new ATOM 0 HG21 THR A 122 0.559 48.525 -28.120 1.00 60.52 H new ATOM 0 HG22 THR A 122 1.017 49.546 -26.737 1.00 60.52 H new ATOM 0 HG23 THR A 122 0.428 47.889 -26.463 1.00 60.52 H new ATOM 1941 N GLY A 123 -2.807 51.550 -26.273 1.00 23.15 N ATOM 1942 CA GLY A 123 -4.008 52.361 -26.340 1.00 60.14 C ATOM 1943 C GLY A 123 -5.146 51.653 -27.048 1.00 71.03 C ATOM 1944 O GLY A 123 -5.273 51.734 -28.269 1.00 1.14 O ATOM 0 H GLY A 123 -2.021 51.903 -26.820 1.00 23.15 H new ATOM 0 HA2 GLY A 123 -4.321 52.626 -25.330 1.00 60.14 H new ATOM 0 HA3 GLY A 123 -3.785 53.293 -26.859 1.00 60.14 H new ATOM 1948 N ASN A 124 -5.977 50.956 -26.280 1.00 35.35 N ATOM 1949 CA ASN A 124 -7.109 50.229 -26.842 1.00 73.21 C ATOM 1950 C ASN A 124 -8.412 50.989 -26.613 1.00 30.14 C ATOM 1951 O ASN A 124 -8.496 51.845 -25.733 1.00 74.12 O ATOM 1952 CB ASN A 124 -7.205 48.833 -26.221 1.00 11.20 C ATOM 1953 CG ASN A 124 -6.195 47.868 -26.811 1.00 21.40 C ATOM 1954 OD1 ASN A 124 -4.954 48.319 -26.946 1.00 51.12 O flip ATOM 1955 ND2 ASN A 124 -6.528 46.729 -27.140 1.00 63.22 N flip ATOM 0 H ASN A 124 -5.888 50.879 -25.267 1.00 35.35 H new ATOM 0 HA ASN A 124 -6.949 50.132 -27.916 1.00 73.21 H new ATOM 0 HB2 ASN A 124 -7.049 48.905 -25.145 1.00 11.20 H new ATOM 0 HB3 ASN A 124 -8.210 48.440 -26.371 1.00 11.20 H new ATOM 0 HD21 ASN A 124 -7.494 46.425 -27.018 1.00 63.22 H new ATOM 0 HD22 ASN A 124 -5.838 46.090 -27.534 1.00 63.22 H new ATOM 1962 N ASN A 125 -9.425 50.671 -27.413 1.00 3.13 N ATOM 1963 CA ASN A 125 -10.723 51.324 -27.298 1.00 5.12 C ATOM 1964 C ASN A 125 -11.489 50.804 -26.085 1.00 31.10 C ATOM 1965 O ASN A 125 -11.122 49.787 -25.497 1.00 55.41 O ATOM 1966 CB ASN A 125 -11.545 51.099 -28.569 1.00 1.40 C ATOM 1967 CG ASN A 125 -11.640 49.633 -28.944 1.00 4.24 C ATOM 1968 OD1 ASN A 125 -10.730 49.079 -29.563 1.00 51.13 O ATOM 1969 ND2 ASN A 125 -12.744 48.997 -28.570 1.00 5.21 N ATOM 0 H ASN A 125 -9.371 49.965 -28.147 1.00 3.13 H new ATOM 0 HA ASN A 125 -10.553 52.393 -27.167 1.00 5.12 H new ATOM 0 HB2 ASN A 125 -12.548 51.500 -28.425 1.00 1.40 H new ATOM 0 HB3 ASN A 125 -11.095 51.653 -29.392 1.00 1.40 H new ATOM 0 HD21 ASN A 125 -12.864 48.009 -28.794 1.00 5.21 H new ATOM 0 HD22 ASN A 125 -13.472 49.496 -28.059 1.00 5.21 H new ATOM 1976 N SER A 126 -12.554 51.509 -25.718 1.00 72.24 N ATOM 1977 CA SER A 126 -13.370 51.120 -24.573 1.00 44.24 C ATOM 1978 C SER A 126 -14.819 50.890 -24.993 1.00 41.12 C ATOM 1979 O SER A 126 -15.675 51.752 -24.799 1.00 45.42 O ATOM 1980 CB SER A 126 -13.307 52.194 -23.487 1.00 13.14 C ATOM 1981 OG SER A 126 -13.842 53.421 -23.950 1.00 53.44 O ATOM 0 H SER A 126 -12.872 52.352 -26.196 1.00 72.24 H new ATOM 0 HA SER A 126 -12.972 50.187 -24.174 1.00 44.24 H new ATOM 0 HB2 SER A 126 -13.861 51.861 -22.609 1.00 13.14 H new ATOM 0 HB3 SER A 126 -12.273 52.340 -23.175 1.00 13.14 H new ATOM 0 HG SER A 126 -14.709 53.259 -24.376 1.00 53.44 H new ATOM 1987 N GLN A 127 -15.085 49.721 -25.567 1.00 33.13 N ATOM 1988 CA GLN A 127 -16.430 49.378 -26.014 1.00 35.03 C ATOM 1989 C GLN A 127 -17.192 48.633 -24.923 1.00 70.11 C ATOM 1990 O GLN A 127 -16.593 47.989 -24.062 1.00 75.21 O ATOM 1991 CB GLN A 127 -16.365 48.525 -27.282 1.00 44.44 C ATOM 1992 CG GLN A 127 -17.361 48.947 -28.350 1.00 43.23 C ATOM 1993 CD GLN A 127 -16.694 49.280 -29.670 1.00 64.34 C ATOM 1994 OE1 GLN A 127 -16.658 50.439 -30.087 1.00 73.32 O ATOM 1995 NE2 GLN A 127 -16.162 48.263 -30.338 1.00 61.23 N ATOM 0 H GLN A 127 -14.387 48.996 -25.733 1.00 33.13 H new ATOM 0 HA GLN A 127 -16.961 50.304 -26.234 1.00 35.03 H new ATOM 0 HB2 GLN A 127 -15.358 48.579 -27.695 1.00 44.44 H new ATOM 0 HB3 GLN A 127 -16.547 47.483 -27.019 1.00 44.44 H new ATOM 0 HG2 GLN A 127 -18.084 48.146 -28.504 1.00 43.23 H new ATOM 0 HG3 GLN A 127 -17.918 49.816 -27.999 1.00 43.23 H new ATOM 0 HE21 GLN A 127 -16.214 47.319 -29.956 1.00 61.23 H new ATOM 0 HE22 GLN A 127 -15.701 48.426 -31.233 1.00 61.23 H new ATOM 2004 N VAL A 128 -18.518 48.725 -24.967 1.00 34.23 N ATOM 2005 CA VAL A 128 -19.362 48.058 -23.983 1.00 50.15 C ATOM 2006 C VAL A 128 -19.073 46.562 -23.933 1.00 32.04 C ATOM 2007 O VAL A 128 -18.341 46.033 -24.770 1.00 41.44 O ATOM 2008 CB VAL A 128 -20.857 48.272 -24.289 1.00 23.44 C ATOM 2009 CG1 VAL A 128 -21.217 49.746 -24.192 1.00 11.24 C ATOM 2010 CG2 VAL A 128 -21.201 47.720 -25.665 1.00 22.12 C ATOM 0 H VAL A 128 -19.030 49.254 -25.673 1.00 34.23 H new ATOM 0 HA VAL A 128 -19.130 48.501 -23.015 1.00 50.15 H new ATOM 0 HB VAL A 128 -21.444 47.731 -23.547 1.00 23.44 H new ATOM 0 HG11 VAL A 128 -22.277 49.877 -24.411 1.00 11.24 H new ATOM 0 HG12 VAL A 128 -21.008 50.106 -23.185 1.00 11.24 H new ATOM 0 HG13 VAL A 128 -20.625 50.313 -24.910 1.00 11.24 H new ATOM 0 HG21 VAL A 128 -22.260 47.879 -25.866 1.00 22.12 H new ATOM 0 HG22 VAL A 128 -20.607 48.233 -26.422 1.00 22.12 H new ATOM 0 HG23 VAL A 128 -20.982 46.653 -25.694 1.00 22.12 H new ATOM 2020 N SER A 129 -19.653 45.886 -22.946 1.00 62.42 N ATOM 2021 CA SER A 129 -19.455 44.449 -22.785 1.00 1.42 C ATOM 2022 C SER A 129 -20.794 43.720 -22.733 1.00 22.13 C ATOM 2023 O SER A 129 -21.853 44.344 -22.752 1.00 50.44 O ATOM 2024 CB SER A 129 -18.655 44.164 -21.513 1.00 44.04 C ATOM 2025 OG SER A 129 -17.808 43.041 -21.685 1.00 23.13 O ATOM 0 H SER A 129 -20.263 46.309 -22.247 1.00 62.42 H new ATOM 0 HA SER A 129 -18.896 44.084 -23.646 1.00 1.42 H new ATOM 0 HB2 SER A 129 -18.058 45.038 -21.252 1.00 44.04 H new ATOM 0 HB3 SER A 129 -19.338 43.985 -20.682 1.00 44.04 H new ATOM 0 HG SER A 129 -17.306 42.880 -20.859 1.00 23.13 H new ATOM 2031 N GLN A 130 -20.735 42.393 -22.668 1.00 64.12 N ATOM 2032 CA GLN A 130 -21.943 41.578 -22.615 1.00 35.32 C ATOM 2033 C GLN A 130 -22.823 41.986 -21.439 1.00 52.21 C ATOM 2034 O GLN A 130 -22.401 42.746 -20.570 1.00 41.52 O ATOM 2035 CB GLN A 130 -21.577 40.096 -22.504 1.00 45.11 C ATOM 2036 CG GLN A 130 -21.668 39.347 -23.824 1.00 55.43 C ATOM 2037 CD GLN A 130 -22.607 38.157 -23.755 1.00 23.15 C ATOM 2038 OE1 GLN A 130 -23.788 38.302 -23.440 1.00 33.23 O ATOM 2039 NE2 GLN A 130 -22.084 36.973 -24.052 1.00 4.55 N ATOM 0 H GLN A 130 -19.865 41.861 -22.651 1.00 64.12 H new ATOM 0 HA GLN A 130 -22.502 41.740 -23.536 1.00 35.32 H new ATOM 0 HB2 GLN A 130 -20.562 40.009 -22.115 1.00 45.11 H new ATOM 0 HB3 GLN A 130 -22.238 39.620 -21.779 1.00 45.11 H new ATOM 0 HG2 GLN A 130 -22.009 40.030 -24.602 1.00 55.43 H new ATOM 0 HG3 GLN A 130 -20.674 39.005 -24.113 1.00 55.43 H new ATOM 0 HE21 GLN A 130 -21.099 36.900 -24.308 1.00 4.55 H new ATOM 0 HE22 GLN A 130 -22.667 36.136 -24.024 1.00 4.55 H new ATOM 2048 N ASN A 131 -24.050 41.475 -21.420 1.00 71.10 N ATOM 2049 CA ASN A 131 -24.991 41.787 -20.350 1.00 4.31 C ATOM 2050 C ASN A 131 -24.750 40.897 -19.135 1.00 60.11 C ATOM 2051 O ASN A 131 -23.813 40.099 -19.114 1.00 33.33 O ATOM 2052 CB ASN A 131 -26.430 41.617 -20.843 1.00 32.05 C ATOM 2053 CG ASN A 131 -26.863 42.744 -21.761 1.00 53.34 C ATOM 2054 OD1 ASN A 131 -26.182 43.763 -21.876 1.00 40.21 O ATOM 2055 ND2 ASN A 131 -28.003 42.566 -22.420 1.00 31.23 N ATOM 0 H ASN A 131 -24.416 40.844 -22.133 1.00 71.10 H new ATOM 0 HA ASN A 131 -24.835 42.824 -20.054 1.00 4.31 H new ATOM 0 HB2 ASN A 131 -26.521 40.667 -21.370 1.00 32.05 H new ATOM 0 HB3 ASN A 131 -27.102 41.571 -19.986 1.00 32.05 H new ATOM 0 HD21 ASN A 131 -28.345 43.290 -23.051 1.00 31.23 H new ATOM 0 HD22 ASN A 131 -28.536 41.705 -22.294 1.00 31.23 H new ATOM 2062 N TYR A 132 -25.601 41.040 -18.126 1.00 15.31 N ATOM 2063 CA TYR A 132 -25.479 40.250 -16.907 1.00 54.25 C ATOM 2064 C TYR A 132 -25.769 38.778 -17.180 1.00 53.13 C ATOM 2065 O TYR A 132 -26.590 38.475 -18.044 1.00 64.50 O ATOM 2066 CB TYR A 132 -26.435 40.779 -15.834 1.00 32.44 C ATOM 2067 CG TYR A 132 -25.968 42.064 -15.188 1.00 34.34 C ATOM 2068 CD1 TYR A 132 -24.915 42.065 -14.280 1.00 11.12 C ATOM 2069 CD2 TYR A 132 -26.577 43.276 -15.485 1.00 20.11 C ATOM 2070 CE1 TYR A 132 -24.486 43.237 -13.686 1.00 35.52 C ATOM 2071 CE2 TYR A 132 -26.153 44.452 -14.898 1.00 52.15 C ATOM 2072 CZ TYR A 132 -25.108 44.427 -13.999 1.00 32.13 C ATOM 2073 OH TYR A 132 -24.682 45.596 -13.410 1.00 25.34 O ATOM 0 H TYR A 132 -26.383 41.695 -18.128 1.00 15.31 H new ATOM 0 HA TYR A 132 -24.454 40.339 -16.548 1.00 54.25 H new ATOM 0 HB2 TYR A 132 -27.415 40.942 -16.281 1.00 32.44 H new ATOM 0 HB3 TYR A 132 -26.559 40.019 -15.063 1.00 32.44 H new ATOM 0 HD1 TYR A 132 -24.424 41.135 -14.035 1.00 11.12 H new ATOM 0 HD2 TYR A 132 -27.397 43.299 -16.188 1.00 20.11 H new ATOM 0 HE1 TYR A 132 -23.668 43.221 -12.981 1.00 35.52 H new ATOM 0 HE2 TYR A 132 -26.637 45.386 -15.142 1.00 52.15 H new ATOM 0 HH TYR A 132 -25.223 46.344 -13.738 1.00 25.34 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 2.625 8.756 -35.039 1.00 12.23 O HETATM 2085 O2 PC8 A 300 0.902 9.396 -33.348 1.00 75.03 O HETATM 2086 P1 PC8 A 300 2.128 8.454 -33.695 1.00 54.33 P HETATM 2087 O3 PC8 A 300 1.647 6.935 -33.545 1.00 23.04 O HETATM 2088 C1 PC8 A 300 2.352 6.087 -32.618 1.00 50.33 C HETATM 2089 C2 PC8 A 300 1.598 4.776 -32.260 1.00 52.42 C HETATM 2090 N1 PC8 A 300 2.137 3.462 -32.813 1.00 15.24 N HETATM 2091 C3 PC8 A 300 3.614 3.288 -32.540 1.00 3.11 C HETATM 2092 C4 PC8 A 300 1.403 2.345 -32.108 1.00 3.10 C HETATM 2093 C5 PC8 A 300 1.896 3.340 -34.301 1.00 50.53 C HETATM 2094 O4 PC8 A 300 3.265 8.724 -32.597 1.00 45.52 O HETATM 2095 C6 PC8 A 300 3.415 10.081 -32.112 1.00 13.11 C HETATM 2096 C7 PC8 A 300 3.274 10.225 -30.567 1.00 44.33 C HETATM 2097 C8 PC8 A 300 4.528 9.790 -29.774 1.00 63.33 C HETATM 2098 O5 PC8 A 300 4.345 8.480 -29.224 1.00 12.54 O HETATM 2099 C9 PC8 A 300 5.255 7.465 -29.224 1.00 45.23 C HETATM 2100 O6 PC8 A 300 6.133 7.393 -30.117 1.00 22.42 O HETATM 2101 C10 PC8 A 300 5.138 6.454 -28.154 1.00 15.10 C HETATM 2102 C11 PC8 A 300 6.440 5.670 -27.835 1.00 30.00 C HETATM 2103 C12 PC8 A 300 6.195 4.486 -26.864 1.00 52.03 C HETATM 2104 C13 PC8 A 300 7.229 3.342 -27.040 1.00 25.14 C HETATM 2105 C14 PC8 A 300 7.111 2.646 -28.422 1.00 55.11 C HETATM 2106 C15 PC8 A 300 7.370 1.118 -28.343 1.00 24.41 C HETATM 2107 C16 PC8 A 300 8.810 0.780 -27.898 1.00 15.23 C HETATM 2108 O7 PC8 A 300 2.949 11.563 -30.148 1.00 1.23 O HETATM 2109 C17 PC8 A 300 1.765 12.030 -29.648 1.00 51.10 C HETATM 2110 O8 PC8 A 300 0.924 12.576 -30.403 1.00 42.04 O HETATM 2111 C18 PC8 A 300 1.502 11.842 -28.204 1.00 3.33 C HETATM 2112 C19 PC8 A 300 0.043 12.128 -27.751 1.00 72.22 C HETATM 2113 C20 PC8 A 300 -0.444 11.155 -26.640 1.00 3.31 C HETATM 2114 C21 PC8 A 300 -1.341 11.860 -25.587 1.00 33.11 C HETATM 2115 C22 PC8 A 300 -0.922 11.540 -24.126 1.00 53.10 C HETATM 2116 C23 PC8 A 300 -2.112 11.641 -23.134 1.00 74.51 C HETATM 2117 C24 PC8 A 300 -3.245 10.638 -23.449 1.00 42.51 C HETATM 0 H9 PC8 A 300 0.334 2.432 -32.302 1.00 3.10 H new HETATM 0 H8 PC8 A 300 1.761 1.384 -32.477 1.00 3.10 H new HETATM 0 H7 PC8 A 300 4.169 4.103 -33.006 1.00 3.11 H new HETATM 0 H6 PC8 A 300 3.789 3.298 -31.464 1.00 3.11 H new HETATM 0 H5 PC8 A 300 3.951 2.337 -32.953 1.00 3.11 H new HETATM 0 H48 PC8 A 300 -3.631 10.828 -24.450 1.00 42.51 H new HETATM 0 H47 PC8 A 300 -2.856 9.621 -23.397 1.00 42.51 H new HETATM 0 H46 PC8 A 300 -4.048 10.756 -22.722 1.00 42.51 H new HETATM 0 H45 PC8 A 300 -1.750 11.466 -22.121 1.00 74.51 H new HETATM 0 H44 PC8 A 300 -2.513 12.654 -23.158 1.00 74.51 H new HETATM 0 H43 PC8 A 300 -0.501 10.535 -24.083 1.00 53.10 H new HETATM 0 H42 PC8 A 300 -0.136 12.229 -23.817 1.00 53.10 H new HETATM 0 H41 PC8 A 300 -1.299 12.938 -25.744 1.00 33.11 H new HETATM 0 H40 PC8 A 300 -2.377 11.556 -25.738 1.00 33.11 H new HETATM 0 H4 PC8 A 300 1.570 4.694 -31.173 1.00 52.42 H new HETATM 0 H39 PC8 A 300 -1.000 10.336 -27.096 1.00 3.31 H new HETATM 0 H38 PC8 A 300 0.420 10.716 -26.141 1.00 3.31 H new HETATM 0 H37 PC8 A 300 -0.025 13.153 -27.386 1.00 72.22 H new HETATM 0 H36 PC8 A 300 -0.622 12.052 -28.612 1.00 72.22 H new HETATM 0 H35 PC8 A 300 1.753 10.816 -27.937 1.00 3.33 H new HETATM 0 H34 PC8 A 300 2.173 12.491 -27.642 1.00 3.33 H new HETATM 0 H33 PC8 A 300 9.519 1.202 -28.610 1.00 15.23 H new HETATM 0 H32 PC8 A 300 8.994 1.201 -26.910 1.00 15.23 H new HETATM 0 H31 PC8 A 300 8.935 -0.302 -27.860 1.00 15.23 H new HETATM 0 H30 PC8 A 300 6.663 0.669 -27.645 1.00 24.41 H new HETATM 0 H3 PC8 A 300 0.567 4.882 -32.598 1.00 52.42 H new HETATM 0 H29 PC8 A 300 7.181 0.671 -29.319 1.00 24.41 H new HETATM 0 H28 PC8 A 300 6.115 2.822 -28.830 1.00 55.11 H new HETATM 0 H27 PC8 A 300 7.823 3.096 -29.114 1.00 55.11 H new HETATM 0 H26 PC8 A 300 8.235 3.744 -26.923 1.00 25.14 H new HETATM 0 H25 PC8 A 300 7.088 2.603 -26.251 1.00 25.14 H new HETATM 0 H24 PC8 A 300 6.233 4.850 -25.837 1.00 52.03 H new HETATM 0 H23 PC8 A 300 5.192 4.091 -27.025 1.00 52.03 H new HETATM 0 H22 PC8 A 300 6.870 5.292 -28.763 1.00 30.00 H new HETATM 0 H21 PC8 A 300 7.172 6.349 -27.398 1.00 30.00 H new HETATM 0 H20 PC8 A 300 4.800 6.950 -27.244 1.00 15.10 H new HETATM 0 H2 PC8 A 300 3.323 5.831 -33.042 1.00 50.33 H new HETATM 0 H19 PC8 A 300 4.363 5.740 -28.435 1.00 15.10 H new HETATM 0 H18 PC8 A 300 5.400 9.798 -30.428 1.00 63.33 H new HETATM 0 H17 PC8 A 300 4.724 10.503 -28.973 1.00 63.33 H new HETATM 0 H16 PC8 A 300 2.451 9.548 -30.339 1.00 44.33 H new HETATM 0 H15 PC8 A 300 4.393 10.457 -32.413 1.00 13.11 H new HETATM 0 H14 PC8 A 300 2.669 10.712 -32.594 1.00 13.11 H new HETATM 0 H13 PC8 A 300 0.825 3.382 -34.501 1.00 50.53 H new HETATM 0 H12 PC8 A 300 2.394 4.160 -34.819 1.00 50.53 H new HETATM 0 H11 PC8 A 300 2.294 2.390 -34.657 1.00 50.53 H new HETATM 0 H10 PC8 A 300 1.583 2.412 -31.035 1.00 3.10 H new HETATM 0 H1 PC8 A 300 2.542 6.646 -31.702 1.00 50.33 H new