USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0251) USER MOD Set 1.2: A 115 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0.533 F(o=-0.8,f=0.53) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 0.171 (180deg=-0.388) USER MOD Single : A 12 ASN : amide:sc= -1.35 X(o=-1.3,f=-0.92!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -174:sc= -0.984 (180deg=-1.02) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -3.51! (180deg=-4.13!) USER MOD Single : A 27 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.018) USER MOD Single : A 28 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.179 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -11:sc= 0.444 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -1.11 (180deg=-1.73) USER MOD Single : A 47 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-5.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.51) USER MOD Single : A 72 CYS SG : rot 160:sc= -0.456 USER MOD Single : A 75 THR OG1 : rot -167:sc= 0.0877 USER MOD Single : A 77 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-1.9) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-5.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 121:sc= 0.4 USER MOD Single : A 97 LYS NZ :NH3+ -165:sc=-0.00876 (180deg=-0.15) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.08) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.0555 K(o=0.055,f=-1.9!) USER MOD Single : A 112 GLN : amide:sc= -6.19! C(o=-6.2!,f=-12!) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.326 F(o=-1.1,f=-0.33) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -54:sc= 0.412 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.071 -5.029 4.820 1.00 0.00 N ATOM 2 CA GLY A 1 30.172 -5.831 4.010 1.00 0.00 C ATOM 3 C GLY A 1 28.780 -5.920 4.604 1.00 0.00 C ATOM 4 O GLY A 1 28.612 -6.334 5.751 1.00 0.00 O ATOM 0 H1 GLY A 1 32.009 -4.999 4.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.696 -4.063 4.902 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.154 -5.450 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.110 -5.403 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.583 -6.835 3.902 1.00 0.00 H new ATOM 8 N SER A 2 27.779 -5.528 3.822 1.00 0.00 N ATOM 9 CA SER A 2 26.395 -5.560 4.279 1.00 0.00 C ATOM 10 C SER A 2 25.820 -6.969 4.173 1.00 0.00 C ATOM 11 O SER A 2 26.466 -7.877 3.651 1.00 0.00 O ATOM 12 CB SER A 2 25.543 -4.586 3.461 1.00 0.00 C ATOM 13 OG SER A 2 26.116 -3.290 3.453 1.00 0.00 O ATOM 0 H SER A 2 27.901 -5.185 2.869 1.00 0.00 H new ATOM 0 HA SER A 2 26.377 -5.257 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.448 -4.951 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.537 -4.540 3.878 1.00 0.00 H new ATOM 0 HG SER A 2 25.554 -2.687 2.923 1.00 0.00 H new ATOM 19 N SER A 3 24.601 -7.143 4.673 1.00 0.00 N ATOM 20 CA SER A 3 23.939 -8.442 4.639 1.00 0.00 C ATOM 21 C SER A 3 22.754 -8.422 3.677 1.00 0.00 C ATOM 22 O SER A 3 22.420 -7.385 3.106 1.00 0.00 O ATOM 23 CB SER A 3 23.466 -8.834 6.040 1.00 0.00 C ATOM 24 OG SER A 3 23.107 -10.204 6.092 1.00 0.00 O ATOM 0 H SER A 3 24.052 -6.401 5.106 1.00 0.00 H new ATOM 0 HA SER A 3 24.659 -9.180 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.257 -8.634 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.611 -8.220 6.324 1.00 0.00 H new ATOM 0 HG SER A 3 22.810 -10.430 6.998 1.00 0.00 H new ATOM 30 N GLY A 4 22.122 -9.579 3.503 1.00 0.00 N ATOM 31 CA GLY A 4 20.982 -9.675 2.611 1.00 0.00 C ATOM 32 C GLY A 4 19.943 -10.663 3.102 1.00 0.00 C ATOM 33 O GLY A 4 20.275 -11.648 3.761 1.00 0.00 O ATOM 0 H GLY A 4 22.380 -10.452 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.523 -8.692 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.324 -9.974 1.620 1.00 0.00 H new ATOM 37 N SER A 5 18.680 -10.399 2.782 1.00 0.00 N ATOM 38 CA SER A 5 17.587 -11.270 3.200 1.00 0.00 C ATOM 39 C SER A 5 17.334 -12.360 2.162 1.00 0.00 C ATOM 40 O SER A 5 16.458 -12.227 1.308 1.00 0.00 O ATOM 41 CB SER A 5 16.312 -10.454 3.421 1.00 0.00 C ATOM 42 OG SER A 5 16.407 -9.670 4.597 1.00 0.00 O ATOM 0 H SER A 5 18.388 -9.589 2.235 1.00 0.00 H new ATOM 0 HA SER A 5 17.872 -11.745 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.137 -9.807 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.456 -11.124 3.495 1.00 0.00 H new ATOM 0 HG SER A 5 15.581 -9.156 4.715 1.00 0.00 H new ATOM 48 N SER A 6 18.108 -13.437 2.243 1.00 0.00 N ATOM 49 CA SER A 6 17.971 -14.549 1.310 1.00 0.00 C ATOM 50 C SER A 6 16.947 -15.560 1.816 1.00 0.00 C ATOM 51 O SER A 6 17.252 -16.399 2.662 1.00 0.00 O ATOM 52 CB SER A 6 19.322 -15.236 1.100 1.00 0.00 C ATOM 53 OG SER A 6 19.305 -16.050 -0.060 1.00 0.00 O ATOM 0 H SER A 6 18.837 -13.563 2.945 1.00 0.00 H new ATOM 0 HA SER A 6 17.622 -14.150 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.106 -14.484 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.564 -15.844 1.972 1.00 0.00 H new ATOM 0 HG SER A 6 20.180 -16.477 -0.173 1.00 0.00 H new ATOM 59 N GLY A 7 15.728 -15.473 1.290 1.00 0.00 N ATOM 60 CA GLY A 7 14.677 -16.385 1.700 1.00 0.00 C ATOM 61 C GLY A 7 13.630 -16.585 0.622 1.00 0.00 C ATOM 62 O GLY A 7 13.782 -17.414 -0.275 1.00 0.00 O ATOM 0 H GLY A 7 15.451 -14.787 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.117 -17.348 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.198 -16.001 2.601 1.00 0.00 H new ATOM 66 N PRO A 8 12.536 -15.812 0.703 1.00 0.00 N ATOM 67 CA PRO A 8 11.438 -15.891 -0.265 1.00 0.00 C ATOM 68 C PRO A 8 11.835 -15.355 -1.636 1.00 0.00 C ATOM 69 O PRO A 8 11.849 -14.144 -1.860 1.00 0.00 O ATOM 70 CB PRO A 8 10.352 -15.012 0.359 1.00 0.00 C ATOM 71 CG PRO A 8 11.092 -14.053 1.227 1.00 0.00 C ATOM 72 CD PRO A 8 12.288 -14.803 1.746 1.00 0.00 C ATOM 0 HA PRO A 8 11.123 -16.919 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.777 -14.491 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.646 -15.607 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.398 -13.172 0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.464 -13.704 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.147 -14.146 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.085 -15.265 2.712 1.00 0.00 H new ATOM 80 N TYR A 9 12.155 -16.263 -2.551 1.00 0.00 N ATOM 81 CA TYR A 9 12.554 -15.881 -3.900 1.00 0.00 C ATOM 82 C TYR A 9 11.343 -15.457 -4.727 1.00 0.00 C ATOM 83 O TYR A 9 11.439 -14.578 -5.581 1.00 0.00 O ATOM 84 CB TYR A 9 13.275 -17.041 -4.589 1.00 0.00 C ATOM 85 CG TYR A 9 12.479 -18.326 -4.603 1.00 0.00 C ATOM 86 CD1 TYR A 9 12.501 -19.192 -3.516 1.00 0.00 C ATOM 87 CD2 TYR A 9 11.705 -18.676 -5.703 1.00 0.00 C ATOM 88 CE1 TYR A 9 11.776 -20.368 -3.524 1.00 0.00 C ATOM 89 CE2 TYR A 9 10.976 -19.849 -5.719 1.00 0.00 C ATOM 90 CZ TYR A 9 11.015 -20.691 -4.627 1.00 0.00 C ATOM 91 OH TYR A 9 10.290 -21.862 -4.640 1.00 0.00 O ATOM 0 H TYR A 9 12.146 -17.269 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 9 13.234 -15.033 -3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 9 13.506 -16.756 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 9 14.225 -17.218 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 9 13.095 -18.941 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.673 -18.020 -6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.805 -21.030 -2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.379 -20.106 -6.582 1.00 0.00 H new ATOM 0 HH TYR A 9 9.808 -21.939 -5.490 1.00 0.00 H new ATOM 101 N ASN A 10 10.205 -16.090 -4.464 1.00 0.00 N ATOM 102 CA ASN A 10 8.974 -15.780 -5.182 1.00 0.00 C ATOM 103 C ASN A 10 8.420 -14.426 -4.751 1.00 0.00 C ATOM 104 O ASN A 10 7.635 -14.335 -3.806 1.00 0.00 O ATOM 105 CB ASN A 10 7.929 -16.871 -4.941 1.00 0.00 C ATOM 106 CG ASN A 10 7.941 -17.377 -3.511 1.00 0.00 C ATOM 107 OD1 ASN A 10 8.078 -18.688 -3.349 1.00 0.00 O flip ATOM 108 ND2 ASN A 10 7.827 -16.598 -2.565 1.00 0.00 N flip ATOM 0 H ASN A 10 10.109 -16.821 -3.759 1.00 0.00 H new ATOM 0 HA ASN A 10 9.205 -15.737 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.939 -16.481 -5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.114 -17.704 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.724 -15.598 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.836 -16.952 -1.609 1.00 0.00 H new ATOM 115 N LYS A 11 8.832 -13.374 -5.451 1.00 0.00 N ATOM 116 CA LYS A 11 8.376 -12.024 -5.144 1.00 0.00 C ATOM 117 C LYS A 11 8.652 -11.078 -6.309 1.00 0.00 C ATOM 118 O LYS A 11 9.754 -11.056 -6.855 1.00 0.00 O ATOM 119 CB LYS A 11 9.065 -11.506 -3.880 1.00 0.00 C ATOM 120 CG LYS A 11 10.569 -11.352 -4.026 1.00 0.00 C ATOM 121 CD LYS A 11 11.245 -11.166 -2.678 1.00 0.00 C ATOM 122 CE LYS A 11 12.760 -11.233 -2.800 1.00 0.00 C ATOM 123 NZ LYS A 11 13.402 -11.625 -1.515 1.00 0.00 N ATOM 0 H LYS A 11 9.482 -13.431 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 11 7.300 -12.061 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.634 -10.542 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.857 -12.189 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.979 -12.232 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.788 -10.496 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.955 -10.205 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.900 -11.936 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.031 -11.950 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.142 -10.262 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.406 -11.355 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.927 -11.140 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.322 -12.654 -1.387 1.00 0.00 H new ATOM 137 N ASN A 12 7.642 -10.299 -6.684 1.00 0.00 N ATOM 138 CA ASN A 12 7.777 -9.350 -7.784 1.00 0.00 C ATOM 139 C ASN A 12 8.172 -7.970 -7.267 1.00 0.00 C ATOM 140 O ASN A 12 7.667 -6.952 -7.738 1.00 0.00 O ATOM 141 CB ASN A 12 6.466 -9.258 -8.568 1.00 0.00 C ATOM 142 CG ASN A 12 6.619 -8.479 -9.860 1.00 0.00 C ATOM 143 OD1 ASN A 12 6.565 -7.249 -9.866 1.00 0.00 O ATOM 144 ND2 ASN A 12 6.812 -9.193 -10.962 1.00 0.00 N ATOM 0 H ASN A 12 6.722 -10.306 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 12 8.565 -9.709 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.109 -10.263 -8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.707 -8.782 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.923 -8.724 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.850 -10.211 -10.910 1.00 0.00 H new ATOM 151 N GLY A 13 9.078 -7.945 -6.294 1.00 0.00 N ATOM 152 CA GLY A 13 9.526 -6.685 -5.730 1.00 0.00 C ATOM 153 C GLY A 13 9.103 -6.515 -4.284 1.00 0.00 C ATOM 154 O GLY A 13 9.855 -5.982 -3.468 1.00 0.00 O ATOM 0 H GLY A 13 9.510 -8.775 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.612 -6.626 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.125 -5.862 -6.322 1.00 0.00 H new ATOM 158 N PHE A 14 7.894 -6.967 -3.966 1.00 0.00 N ATOM 159 CA PHE A 14 7.371 -6.859 -2.609 1.00 0.00 C ATOM 160 C PHE A 14 8.191 -7.706 -1.641 1.00 0.00 C ATOM 161 O PHE A 14 8.738 -8.744 -2.015 1.00 0.00 O ATOM 162 CB PHE A 14 5.905 -7.295 -2.569 1.00 0.00 C ATOM 163 CG PHE A 14 4.938 -6.171 -2.814 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.855 -5.107 -1.930 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.114 -6.178 -3.927 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.966 -4.072 -2.152 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.223 -5.146 -4.155 1.00 0.00 C ATOM 168 CZ PHE A 14 3.150 -4.091 -3.267 1.00 0.00 C ATOM 0 H PHE A 14 7.259 -7.411 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 14 7.442 -5.816 -2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.745 -8.071 -3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.693 -7.741 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.492 -5.086 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.168 -7.000 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.909 -3.249 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.585 -5.165 -5.026 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.456 -3.282 -3.444 1.00 0.00 H new ATOM 178 N LYS A 15 8.273 -7.256 -0.394 1.00 0.00 N ATOM 179 CA LYS A 15 9.026 -7.971 0.631 1.00 0.00 C ATOM 180 C LYS A 15 8.380 -7.796 2.001 1.00 0.00 C ATOM 181 O LYS A 15 7.753 -6.773 2.278 1.00 0.00 O ATOM 182 CB LYS A 15 10.472 -7.473 0.670 1.00 0.00 C ATOM 183 CG LYS A 15 11.160 -7.495 -0.684 1.00 0.00 C ATOM 184 CD LYS A 15 12.629 -7.125 -0.570 1.00 0.00 C ATOM 185 CE LYS A 15 13.450 -8.273 -0.001 1.00 0.00 C ATOM 186 NZ LYS A 15 14.838 -7.850 0.333 1.00 0.00 N ATOM 0 H LYS A 15 7.827 -6.399 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 15 9.020 -9.031 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.486 -6.455 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.041 -8.088 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.067 -8.488 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.660 -6.800 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.014 -6.853 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.736 -6.248 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.963 -8.659 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.483 -9.089 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.365 -8.660 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.312 -7.505 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.808 -7.089 1.041 1.00 0.00 H new ATOM 200 N VAL A 16 8.537 -8.801 2.857 1.00 0.00 N ATOM 201 CA VAL A 16 7.972 -8.757 4.200 1.00 0.00 C ATOM 202 C VAL A 16 8.486 -7.549 4.974 1.00 0.00 C ATOM 203 O VAL A 16 9.688 -7.288 5.012 1.00 0.00 O ATOM 204 CB VAL A 16 8.302 -10.038 4.990 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.831 -9.913 6.431 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.678 -11.253 4.320 1.00 0.00 C ATOM 0 H VAL A 16 9.051 -9.656 2.644 1.00 0.00 H new ATOM 0 HA VAL A 16 6.891 -8.678 4.086 1.00 0.00 H new ATOM 0 HB VAL A 16 9.384 -10.171 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.073 -10.827 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.330 -9.067 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.753 -9.755 6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.921 -12.149 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.596 -11.131 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.069 -11.351 3.307 1.00 0.00 H new ATOM 216 N GLY A 17 7.567 -6.814 5.592 1.00 0.00 N ATOM 217 CA GLY A 17 7.947 -5.641 6.358 1.00 0.00 C ATOM 218 C GLY A 17 7.479 -4.351 5.714 1.00 0.00 C ATOM 219 O GLY A 17 6.932 -3.477 6.385 1.00 0.00 O ATOM 0 H GLY A 17 6.566 -7.010 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.528 -5.715 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.031 -5.617 6.466 1.00 0.00 H new ATOM 223 N MET A 18 7.697 -4.231 4.408 1.00 0.00 N ATOM 224 CA MET A 18 7.294 -3.037 3.673 1.00 0.00 C ATOM 225 C MET A 18 5.815 -2.737 3.893 1.00 0.00 C ATOM 226 O MET A 18 4.945 -3.473 3.426 1.00 0.00 O ATOM 227 CB MET A 18 7.574 -3.213 2.180 1.00 0.00 C ATOM 228 CG MET A 18 9.052 -3.149 1.827 1.00 0.00 C ATOM 229 SD MET A 18 9.337 -2.605 0.131 1.00 0.00 S ATOM 230 CE MET A 18 9.534 -4.180 -0.700 1.00 0.00 C ATOM 0 H MET A 18 8.150 -4.945 3.838 1.00 0.00 H new ATOM 0 HA MET A 18 7.877 -2.196 4.048 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.172 -4.172 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.043 -2.440 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.556 -2.468 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.499 -4.133 1.969 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.823 -4.010 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.307 -4.762 -0.199 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.592 -4.727 -0.670 1.00 0.00 H new ATOM 240 N LYS A 19 5.536 -1.652 4.607 1.00 0.00 N ATOM 241 CA LYS A 19 4.162 -1.253 4.889 1.00 0.00 C ATOM 242 C LYS A 19 3.529 -0.585 3.672 1.00 0.00 C ATOM 243 O LYS A 19 4.222 0.015 2.850 1.00 0.00 O ATOM 244 CB LYS A 19 4.121 -0.300 6.086 1.00 0.00 C ATOM 245 CG LYS A 19 4.387 -0.983 7.416 1.00 0.00 C ATOM 246 CD LYS A 19 4.809 0.015 8.481 1.00 0.00 C ATOM 247 CE LYS A 19 6.288 0.355 8.371 1.00 0.00 C ATOM 248 NZ LYS A 19 6.770 1.119 9.554 1.00 0.00 N ATOM 0 H LYS A 19 6.244 -1.033 5.001 1.00 0.00 H new ATOM 0 HA LYS A 19 3.591 -2.150 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.859 0.488 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.144 0.181 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.489 -1.507 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.167 -1.734 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.217 0.925 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.601 -0.396 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.866 -0.564 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.460 0.939 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.692 1.548 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.086 1.867 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.869 0.476 10.366 1.00 0.00 H new ATOM 262 N LEU A 20 2.209 -0.693 3.564 1.00 0.00 N ATOM 263 CA LEU A 20 1.482 -0.098 2.448 1.00 0.00 C ATOM 264 C LEU A 20 -0.001 0.040 2.776 1.00 0.00 C ATOM 265 O LEU A 20 -0.462 -0.430 3.815 1.00 0.00 O ATOM 266 CB LEU A 20 1.661 -0.945 1.187 1.00 0.00 C ATOM 267 CG LEU A 20 0.834 -2.229 1.119 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.510 -2.580 -0.325 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.571 -3.376 1.795 1.00 0.00 C ATOM 0 H LEU A 20 1.621 -1.187 4.235 1.00 0.00 H new ATOM 0 HA LEU A 20 1.890 0.897 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.412 -0.330 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.715 -1.210 1.098 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.103 -2.062 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.079 -3.497 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.060 -1.768 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.436 -2.727 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.967 -4.281 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.524 -3.543 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.751 -3.127 2.841 1.00 0.00 H new ATOM 281 N GLU A 21 -0.742 0.687 1.881 1.00 0.00 N ATOM 282 CA GLU A 21 -2.173 0.885 2.076 1.00 0.00 C ATOM 283 C GLU A 21 -2.977 0.092 1.049 1.00 0.00 C ATOM 284 O GLU A 21 -2.744 0.198 -0.154 1.00 0.00 O ATOM 285 CB GLU A 21 -2.523 2.371 1.976 1.00 0.00 C ATOM 286 CG GLU A 21 -1.832 3.231 3.021 1.00 0.00 C ATOM 287 CD GLU A 21 -0.445 3.669 2.592 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.515 2.902 2.815 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.320 4.778 2.032 1.00 0.00 O ATOM 0 H GLU A 21 -0.375 1.082 1.015 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.431 0.524 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.254 2.733 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.602 2.489 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.441 4.112 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.760 2.674 3.955 1.00 0.00 H new ATOM 296 N GLY A 22 -3.925 -0.704 1.535 1.00 0.00 N ATOM 297 CA GLY A 22 -4.748 -1.504 0.647 1.00 0.00 C ATOM 298 C GLY A 22 -6.228 -1.219 0.815 1.00 0.00 C ATOM 299 O GLY A 22 -6.620 -0.402 1.648 1.00 0.00 O ATOM 0 H GLY A 22 -4.137 -0.809 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.458 -1.309 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.561 -2.561 0.837 1.00 0.00 H new ATOM 303 N VAL A 23 -7.053 -1.894 0.021 1.00 0.00 N ATOM 304 CA VAL A 23 -8.497 -1.709 0.084 1.00 0.00 C ATOM 305 C VAL A 23 -9.176 -2.906 0.740 1.00 0.00 C ATOM 306 O VAL A 23 -8.751 -4.048 0.564 1.00 0.00 O ATOM 307 CB VAL A 23 -9.098 -1.497 -1.318 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.577 -1.852 -1.324 1.00 0.00 C ATOM 309 CG2 VAL A 23 -8.885 -0.062 -1.777 1.00 0.00 C ATOM 0 H VAL A 23 -6.745 -2.574 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.676 -0.818 0.686 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.587 -2.159 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.985 -1.696 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.701 -2.897 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.106 -1.218 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.316 0.070 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.369 0.619 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.817 0.154 -1.813 1.00 0.00 H new ATOM 319 N ASP A 24 -10.234 -2.637 1.498 1.00 0.00 N ATOM 320 CA ASP A 24 -10.974 -3.693 2.180 1.00 0.00 C ATOM 321 C ASP A 24 -11.894 -4.426 1.209 1.00 0.00 C ATOM 322 O ASP A 24 -12.520 -3.825 0.336 1.00 0.00 O ATOM 323 CB ASP A 24 -11.790 -3.109 3.334 1.00 0.00 C ATOM 324 CG ASP A 24 -12.390 -4.183 4.220 1.00 0.00 C ATOM 325 OD1 ASP A 24 -13.363 -4.834 3.787 1.00 0.00 O ATOM 326 OD2 ASP A 24 -11.887 -4.371 5.348 1.00 0.00 O ATOM 0 H ASP A 24 -10.598 -1.697 1.656 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.254 -4.408 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.152 -2.461 3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.589 -2.486 2.932 1.00 0.00 H new ATOM 331 N PRO A 25 -11.978 -5.756 1.363 1.00 0.00 N ATOM 332 CA PRO A 25 -12.819 -6.600 0.509 1.00 0.00 C ATOM 333 C PRO A 25 -14.307 -6.378 0.759 1.00 0.00 C ATOM 334 O PRO A 25 -15.151 -7.051 0.169 1.00 0.00 O ATOM 335 CB PRO A 25 -12.415 -8.021 0.907 1.00 0.00 C ATOM 336 CG PRO A 25 -11.905 -7.894 2.301 1.00 0.00 C ATOM 337 CD PRO A 25 -11.260 -6.538 2.383 1.00 0.00 C ATOM 0 HA PRO A 25 -12.674 -6.382 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.264 -8.703 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.649 -8.416 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.716 -7.985 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.187 -8.682 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.369 -6.100 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.192 -6.588 2.173 1.00 0.00 H new ATOM 345 N GLU A 26 -14.620 -5.430 1.637 1.00 0.00 N ATOM 346 CA GLU A 26 -16.007 -5.121 1.964 1.00 0.00 C ATOM 347 C GLU A 26 -16.370 -3.708 1.516 1.00 0.00 C ATOM 348 O GLU A 26 -17.545 -3.382 1.346 1.00 0.00 O ATOM 349 CB GLU A 26 -16.243 -5.267 3.469 1.00 0.00 C ATOM 350 CG GLU A 26 -16.071 -6.689 3.977 1.00 0.00 C ATOM 351 CD GLU A 26 -16.586 -6.869 5.392 1.00 0.00 C ATOM 352 OE1 GLU A 26 -16.520 -5.899 6.176 1.00 0.00 O ATOM 353 OE2 GLU A 26 -17.055 -7.981 5.715 1.00 0.00 O ATOM 0 H GLU A 26 -13.933 -4.863 2.134 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.645 -5.827 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.552 -4.614 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.251 -4.925 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.597 -7.374 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.015 -6.958 3.941 1.00 0.00 H new ATOM 360 N HIS A 27 -15.352 -2.874 1.327 1.00 0.00 N ATOM 361 CA HIS A 27 -15.564 -1.496 0.898 1.00 0.00 C ATOM 362 C HIS A 27 -14.461 -1.049 -0.057 1.00 0.00 C ATOM 363 O HIS A 27 -13.289 -0.996 0.315 1.00 0.00 O ATOM 364 CB HIS A 27 -15.612 -0.565 2.110 1.00 0.00 C ATOM 365 CG HIS A 27 -16.876 -0.681 2.905 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.907 0.230 2.818 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.274 -1.612 3.804 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.883 -0.133 3.631 1.00 0.00 C ATOM 369 NE2 HIS A 27 -18.524 -1.248 4.241 1.00 0.00 N ATOM 0 H HIS A 27 -14.374 -3.128 1.464 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.518 -1.447 0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.763 -0.782 2.759 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.499 0.465 1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.713 -2.479 4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.816 0.393 3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.084 -1.756 4.925 1.00 0.00 H new ATOM 378 N GLN A 28 -14.846 -0.730 -1.289 1.00 0.00 N ATOM 379 CA GLN A 28 -13.889 -0.290 -2.298 1.00 0.00 C ATOM 380 C GLN A 28 -13.616 1.205 -2.173 1.00 0.00 C ATOM 381 O GLN A 28 -13.100 1.831 -3.098 1.00 0.00 O ATOM 382 CB GLN A 28 -14.411 -0.610 -3.700 1.00 0.00 C ATOM 383 CG GLN A 28 -14.456 -2.098 -4.007 1.00 0.00 C ATOM 384 CD GLN A 28 -15.778 -2.733 -3.622 1.00 0.00 C ATOM 385 OE1 GLN A 28 -16.810 -2.470 -4.239 1.00 0.00 O ATOM 386 NE2 GLN A 28 -15.752 -3.577 -2.597 1.00 0.00 N ATOM 0 H GLN A 28 -15.813 -0.768 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.954 -0.826 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.413 -0.194 -3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.778 -0.114 -4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.280 -2.251 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.648 -2.600 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.874 -3.766 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.610 -4.036 -2.293 1.00 0.00 H new ATOM 395 N SER A 29 -13.966 1.772 -1.022 1.00 0.00 N ATOM 396 CA SER A 29 -13.763 3.195 -0.778 1.00 0.00 C ATOM 397 C SER A 29 -12.951 3.417 0.495 1.00 0.00 C ATOM 398 O SER A 29 -12.442 4.511 0.737 1.00 0.00 O ATOM 399 CB SER A 29 -15.109 3.913 -0.669 1.00 0.00 C ATOM 400 OG SER A 29 -15.673 3.746 0.620 1.00 0.00 O ATOM 0 H SER A 29 -14.391 1.267 -0.244 1.00 0.00 H new ATOM 0 HA SER A 29 -13.207 3.607 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.976 4.975 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.794 3.524 -1.422 1.00 0.00 H new ATOM 0 HG SER A 29 -16.532 4.216 0.665 1.00 0.00 H new ATOM 406 N VAL A 30 -12.834 2.369 1.305 1.00 0.00 N ATOM 407 CA VAL A 30 -12.084 2.448 2.552 1.00 0.00 C ATOM 408 C VAL A 30 -10.643 1.987 2.357 1.00 0.00 C ATOM 409 O VAL A 30 -10.392 0.922 1.794 1.00 0.00 O ATOM 410 CB VAL A 30 -12.738 1.595 3.656 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.881 1.597 4.912 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.141 2.101 3.957 1.00 0.00 C ATOM 0 H VAL A 30 -13.249 1.456 1.119 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.090 3.494 2.859 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.814 0.568 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.360 0.989 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.898 1.184 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.770 2.619 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.589 1.488 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.090 3.137 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.750 2.042 3.055 1.00 0.00 H new ATOM 422 N TYR A 31 -9.701 2.797 2.827 1.00 0.00 N ATOM 423 CA TYR A 31 -8.284 2.474 2.702 1.00 0.00 C ATOM 424 C TYR A 31 -7.655 2.248 4.073 1.00 0.00 C ATOM 425 O TYR A 31 -7.515 3.180 4.866 1.00 0.00 O ATOM 426 CB TYR A 31 -7.547 3.596 1.969 1.00 0.00 C ATOM 427 CG TYR A 31 -7.877 3.675 0.495 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.435 2.699 -0.390 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.632 4.725 -0.012 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.734 2.768 -1.737 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.936 4.802 -1.357 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.485 3.821 -2.216 1.00 0.00 C ATOM 433 OH TYR A 31 -8.785 3.892 -3.557 1.00 0.00 O ATOM 0 H TYR A 31 -9.892 3.681 3.298 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.196 1.553 2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.792 4.548 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.473 3.450 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.848 1.872 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.987 5.495 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.382 2.002 -2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.524 5.626 -1.734 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.322 4.694 -3.730 1.00 0.00 H new ATOM 443 N CYS A 32 -7.276 1.004 4.345 1.00 0.00 N ATOM 444 CA CYS A 32 -6.661 0.654 5.620 1.00 0.00 C ATOM 445 C CYS A 32 -5.179 0.341 5.441 1.00 0.00 C ATOM 446 O CYS A 32 -4.756 -0.130 4.385 1.00 0.00 O ATOM 447 CB CYS A 32 -7.376 -0.546 6.242 1.00 0.00 C ATOM 448 SG CYS A 32 -8.919 -0.130 7.087 1.00 0.00 S ATOM 0 H CYS A 32 -7.384 0.221 3.700 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.755 1.510 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.588 -1.275 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.704 -1.028 6.952 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.450 -1.210 7.578 1.00 0.00 H new ATOM 454 N VAL A 33 -4.393 0.608 6.480 1.00 0.00 N ATOM 455 CA VAL A 33 -2.958 0.356 6.437 1.00 0.00 C ATOM 456 C VAL A 33 -2.654 -1.124 6.641 1.00 0.00 C ATOM 457 O VAL A 33 -3.024 -1.711 7.658 1.00 0.00 O ATOM 458 CB VAL A 33 -2.213 1.174 7.509 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.903 1.042 8.858 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.759 0.734 7.599 1.00 0.00 C ATOM 0 H VAL A 33 -4.726 0.999 7.361 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.612 0.663 5.450 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.234 2.225 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.362 1.627 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.926 1.410 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.916 -0.006 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.247 1.322 8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.714 -0.322 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.272 0.887 6.636 1.00 0.00 H new ATOM 470 N LEU A 34 -1.977 -1.722 5.667 1.00 0.00 N ATOM 471 CA LEU A 34 -1.621 -3.135 5.738 1.00 0.00 C ATOM 472 C LEU A 34 -0.107 -3.317 5.723 1.00 0.00 C ATOM 473 O LEU A 34 0.638 -2.393 5.393 1.00 0.00 O ATOM 474 CB LEU A 34 -2.250 -3.900 4.572 1.00 0.00 C ATOM 475 CG LEU A 34 -3.751 -3.693 4.366 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.117 -3.864 2.900 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.547 -4.658 5.233 1.00 0.00 C ATOM 0 H LEU A 34 -1.663 -1.250 4.819 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.007 -3.534 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.735 -3.613 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.067 -4.964 4.721 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.002 -2.676 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.189 -3.713 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.574 -3.132 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.851 -4.869 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.613 -4.496 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.292 -5.683 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.307 -4.487 6.282 1.00 0.00 H new ATOM 489 N THR A 35 0.344 -4.516 6.079 1.00 0.00 N ATOM 490 CA THR A 35 1.769 -4.820 6.105 1.00 0.00 C ATOM 491 C THR A 35 2.059 -6.153 5.425 1.00 0.00 C ATOM 492 O THR A 35 1.402 -7.158 5.699 1.00 0.00 O ATOM 493 CB THR A 35 2.308 -4.865 7.547 1.00 0.00 C ATOM 494 OG1 THR A 35 1.971 -3.654 8.233 1.00 0.00 O ATOM 495 CG2 THR A 35 3.817 -5.055 7.555 1.00 0.00 C ATOM 0 H THR A 35 -0.258 -5.293 6.353 1.00 0.00 H new ATOM 0 HA THR A 35 2.272 -4.020 5.562 1.00 0.00 H new ATOM 0 HB THR A 35 1.849 -5.712 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.316 -3.691 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.175 -5.084 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.068 -5.992 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.291 -4.226 7.029 1.00 0.00 H new ATOM 503 N VAL A 36 3.048 -6.156 4.536 1.00 0.00 N ATOM 504 CA VAL A 36 3.427 -7.367 3.818 1.00 0.00 C ATOM 505 C VAL A 36 3.907 -8.449 4.779 1.00 0.00 C ATOM 506 O VAL A 36 5.041 -8.410 5.256 1.00 0.00 O ATOM 507 CB VAL A 36 4.534 -7.084 2.786 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.950 -8.368 2.083 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.071 -6.042 1.780 1.00 0.00 C ATOM 0 H VAL A 36 3.601 -5.333 4.296 1.00 0.00 H new ATOM 0 HA VAL A 36 2.536 -7.718 3.297 1.00 0.00 H new ATOM 0 HB VAL A 36 5.403 -6.687 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.733 -8.148 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.326 -9.080 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.090 -8.797 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.866 -5.854 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.186 -6.408 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.828 -5.116 2.301 1.00 0.00 H new ATOM 519 N ALA A 37 3.037 -9.414 5.058 1.00 0.00 N ATOM 520 CA ALA A 37 3.373 -10.508 5.960 1.00 0.00 C ATOM 521 C ALA A 37 4.065 -11.643 5.213 1.00 0.00 C ATOM 522 O ALA A 37 4.863 -12.381 5.790 1.00 0.00 O ATOM 523 CB ALA A 37 2.122 -11.020 6.659 1.00 0.00 C ATOM 0 H ALA A 37 2.094 -9.460 4.672 1.00 0.00 H new ATOM 0 HA ALA A 37 4.065 -10.127 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.388 -11.837 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.670 -10.212 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.411 -11.379 5.915 1.00 0.00 H new ATOM 529 N GLU A 38 3.754 -11.775 3.928 1.00 0.00 N ATOM 530 CA GLU A 38 4.346 -12.822 3.103 1.00 0.00 C ATOM 531 C GLU A 38 4.186 -12.501 1.619 1.00 0.00 C ATOM 532 O GLU A 38 3.380 -11.652 1.240 1.00 0.00 O ATOM 533 CB GLU A 38 3.702 -14.174 3.416 1.00 0.00 C ATOM 534 CG GLU A 38 4.578 -15.363 3.058 1.00 0.00 C ATOM 535 CD GLU A 38 6.004 -15.204 3.547 1.00 0.00 C ATOM 536 OE1 GLU A 38 6.283 -15.587 4.702 1.00 0.00 O ATOM 537 OE2 GLU A 38 6.843 -14.696 2.773 1.00 0.00 O ATOM 0 H GLU A 38 3.096 -11.171 3.436 1.00 0.00 H new ATOM 0 HA GLU A 38 5.410 -12.873 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.464 -14.216 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.759 -14.252 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.149 -16.268 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.581 -15.495 1.976 1.00 0.00 H new ATOM 544 N VAL A 39 4.962 -13.187 0.785 1.00 0.00 N ATOM 545 CA VAL A 39 4.907 -12.977 -0.656 1.00 0.00 C ATOM 546 C VAL A 39 5.092 -14.289 -1.411 1.00 0.00 C ATOM 547 O VAL A 39 5.948 -15.102 -1.061 1.00 0.00 O ATOM 548 CB VAL A 39 5.983 -11.976 -1.119 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.881 -11.736 -2.617 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.858 -10.668 -0.352 1.00 0.00 C ATOM 0 H VAL A 39 5.636 -13.892 1.083 1.00 0.00 H new ATOM 0 HA VAL A 39 3.921 -12.569 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 39 6.964 -12.402 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.649 -11.026 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.024 -12.678 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.897 -11.331 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.625 -9.972 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.873 -10.236 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.986 -10.858 0.714 1.00 0.00 H new ATOM 560 N CYS A 40 4.284 -14.488 -2.446 1.00 0.00 N ATOM 561 CA CYS A 40 4.358 -15.702 -3.251 1.00 0.00 C ATOM 562 C CYS A 40 3.739 -15.480 -4.628 1.00 0.00 C ATOM 563 O CYS A 40 2.814 -14.684 -4.783 1.00 0.00 O ATOM 564 CB CYS A 40 3.648 -16.854 -2.539 1.00 0.00 C ATOM 565 SG CYS A 40 4.089 -18.492 -3.165 1.00 0.00 S ATOM 0 H CYS A 40 3.570 -13.825 -2.748 1.00 0.00 H new ATOM 0 HA CYS A 40 5.409 -15.958 -3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.881 -16.808 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.571 -16.718 -2.635 1.00 0.00 H new ATOM 0 HG CYS A 40 3.440 -19.400 -2.499 1.00 0.00 H new ATOM 571 N GLY A 41 4.258 -16.190 -5.625 1.00 0.00 N ATOM 572 CA GLY A 41 3.745 -16.055 -6.976 1.00 0.00 C ATOM 573 C GLY A 41 3.440 -14.616 -7.340 1.00 0.00 C ATOM 574 O GLY A 41 4.088 -13.693 -6.845 1.00 0.00 O ATOM 0 H GLY A 41 5.024 -16.856 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.473 -16.458 -7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.839 -16.652 -7.078 1.00 0.00 H new ATOM 578 N TYR A 42 2.453 -14.423 -8.207 1.00 0.00 N ATOM 579 CA TYR A 42 2.067 -13.085 -8.640 1.00 0.00 C ATOM 580 C TYR A 42 1.078 -12.460 -7.660 1.00 0.00 C ATOM 581 O TYR A 42 0.145 -11.765 -8.061 1.00 0.00 O ATOM 582 CB TYR A 42 1.451 -13.137 -10.039 1.00 0.00 C ATOM 583 CG TYR A 42 1.215 -11.774 -10.648 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.261 -10.872 -10.806 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.052 -11.386 -11.065 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.050 -9.624 -11.361 1.00 0.00 C ATOM 587 CE2 TYR A 42 -0.272 -10.142 -11.622 1.00 0.00 C ATOM 588 CZ TYR A 42 0.782 -9.264 -11.768 1.00 0.00 C ATOM 589 OH TYR A 42 0.567 -8.023 -12.322 1.00 0.00 O ATOM 0 H TYR A 42 1.905 -15.176 -8.624 1.00 0.00 H new ATOM 0 HA TYR A 42 2.964 -12.467 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.107 -13.710 -10.695 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.503 -13.673 -9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.255 -11.151 -10.490 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.880 -12.070 -10.951 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.873 -8.934 -11.475 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.264 -9.858 -11.942 1.00 0.00 H new ATOM 0 HH TYR A 42 1.363 -7.465 -12.194 1.00 0.00 H new ATOM 599 N ARG A 43 1.292 -12.712 -6.373 1.00 0.00 N ATOM 600 CA ARG A 43 0.421 -12.175 -5.335 1.00 0.00 C ATOM 601 C ARG A 43 1.194 -11.950 -4.039 1.00 0.00 C ATOM 602 O ARG A 43 2.273 -12.511 -3.843 1.00 0.00 O ATOM 603 CB ARG A 43 -0.753 -13.124 -5.083 1.00 0.00 C ATOM 604 CG ARG A 43 -1.906 -12.937 -6.054 1.00 0.00 C ATOM 605 CD ARG A 43 -3.054 -13.886 -5.746 1.00 0.00 C ATOM 606 NE ARG A 43 -3.848 -14.190 -6.934 1.00 0.00 N ATOM 607 CZ ARG A 43 -3.465 -15.046 -7.874 1.00 0.00 C ATOM 608 NH1 ARG A 43 -2.306 -15.681 -7.766 1.00 0.00 N ATOM 609 NH2 ARG A 43 -4.242 -15.269 -8.926 1.00 0.00 N ATOM 0 H ARG A 43 2.061 -13.284 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 43 0.036 -11.215 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.398 -14.153 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.117 -12.976 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.261 -11.907 -6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.556 -13.106 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.657 -14.812 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.696 -13.443 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.746 -13.719 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.705 -15.513 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.015 -16.338 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.134 -14.783 -9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.947 -15.927 -9.648 1.00 0.00 H new ATOM 623 N ILE A 44 0.636 -11.127 -3.158 1.00 0.00 N ATOM 624 CA ILE A 44 1.273 -10.829 -1.881 1.00 0.00 C ATOM 625 C ILE A 44 0.278 -10.941 -0.731 1.00 0.00 C ATOM 626 O ILE A 44 -0.913 -10.678 -0.897 1.00 0.00 O ATOM 627 CB ILE A 44 1.889 -9.418 -1.875 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.828 -8.372 -2.222 1.00 0.00 C ATOM 629 CG2 ILE A 44 3.052 -9.344 -2.853 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.316 -6.947 -2.085 1.00 0.00 C ATOM 0 H ILE A 44 -0.256 -10.655 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 44 2.066 -11.564 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 44 2.266 -9.207 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.490 -8.535 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.037 -8.515 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.477 -8.340 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.816 -10.066 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.697 -9.572 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.511 -6.260 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.627 -6.766 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.162 -6.786 -2.753 1.00 0.00 H new ATOM 642 N LYS A 45 0.774 -11.333 0.438 1.00 0.00 N ATOM 643 CA LYS A 45 -0.069 -11.478 1.619 1.00 0.00 C ATOM 644 C LYS A 45 -0.269 -10.134 2.312 1.00 0.00 C ATOM 645 O LYS A 45 0.694 -9.421 2.597 1.00 0.00 O ATOM 646 CB LYS A 45 0.552 -12.479 2.594 1.00 0.00 C ATOM 647 CG LYS A 45 -0.352 -12.829 3.764 1.00 0.00 C ATOM 648 CD LYS A 45 0.240 -13.942 4.613 1.00 0.00 C ATOM 649 CE LYS A 45 -0.739 -14.411 5.678 1.00 0.00 C ATOM 650 NZ LYS A 45 -2.083 -14.703 5.106 1.00 0.00 N ATOM 0 H LYS A 45 1.757 -11.556 0.593 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.042 -11.850 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.803 -13.392 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.486 -12.068 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.509 -11.944 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.329 -13.135 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.514 -14.782 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.156 -13.591 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.348 -15.306 6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.831 -13.646 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.675 -15.162 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.532 -13.815 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.982 -15.336 4.287 1.00 0.00 H new ATOM 664 N LEU A 46 -1.525 -9.794 2.582 1.00 0.00 N ATOM 665 CA LEU A 46 -1.852 -8.536 3.244 1.00 0.00 C ATOM 666 C LEU A 46 -2.320 -8.779 4.675 1.00 0.00 C ATOM 667 O LEU A 46 -3.198 -9.607 4.920 1.00 0.00 O ATOM 668 CB LEU A 46 -2.934 -7.791 2.461 1.00 0.00 C ATOM 669 CG LEU A 46 -2.532 -7.287 1.074 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.607 -6.085 1.190 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.868 -8.398 0.274 1.00 0.00 C ATOM 0 H LEU A 46 -2.333 -10.372 2.353 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.950 -7.925 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.794 -8.451 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.262 -6.938 3.055 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.434 -6.976 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.332 -5.740 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.118 -5.283 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.708 -6.369 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.589 -8.021 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.976 -8.740 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.563 -9.230 0.160 1.00 0.00 H new ATOM 683 N HIS A 47 -1.729 -8.051 5.617 1.00 0.00 N ATOM 684 CA HIS A 47 -2.088 -8.186 7.025 1.00 0.00 C ATOM 685 C HIS A 47 -2.576 -6.855 7.591 1.00 0.00 C ATOM 686 O HIS A 47 -1.889 -5.839 7.495 1.00 0.00 O ATOM 687 CB HIS A 47 -0.891 -8.688 7.832 1.00 0.00 C ATOM 688 CG HIS A 47 -0.951 -8.321 9.283 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.350 -9.201 10.267 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.656 -7.161 9.915 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.301 -8.598 11.441 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.882 -7.359 11.255 1.00 0.00 N ATOM 0 H HIS A 47 -1.000 -7.362 5.432 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.898 -8.912 7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.832 -9.773 7.742 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.024 -8.282 7.400 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.638 -10.167 10.112 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.308 -6.250 9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.559 -9.042 12.391 1.00 0.00 H new ATOM 701 N PHE A 48 -3.767 -6.870 8.180 1.00 0.00 N ATOM 702 CA PHE A 48 -4.348 -5.664 8.760 1.00 0.00 C ATOM 703 C PHE A 48 -3.564 -5.221 9.991 1.00 0.00 C ATOM 704 O PHE A 48 -3.546 -5.912 11.010 1.00 0.00 O ATOM 705 CB PHE A 48 -5.812 -5.907 9.133 1.00 0.00 C ATOM 706 CG PHE A 48 -6.749 -5.838 7.961 1.00 0.00 C ATOM 707 CD1 PHE A 48 -7.038 -4.625 7.358 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.339 -6.988 7.461 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.900 -4.559 6.280 1.00 0.00 C ATOM 710 CE2 PHE A 48 -8.202 -6.928 6.383 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.482 -5.712 5.791 1.00 0.00 C ATOM 0 H PHE A 48 -4.349 -7.703 8.268 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.297 -4.871 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.901 -6.887 9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.117 -5.169 9.875 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.584 -3.720 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.122 -7.942 7.919 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.118 -3.606 5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.657 -7.831 6.004 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.155 -5.663 4.947 1.00 0.00 H new ATOM 721 N ASP A 49 -2.917 -4.065 9.889 1.00 0.00 N ATOM 722 CA ASP A 49 -2.131 -3.528 10.994 1.00 0.00 C ATOM 723 C ASP A 49 -2.967 -3.451 12.268 1.00 0.00 C ATOM 724 O ASP A 49 -3.970 -2.742 12.322 1.00 0.00 O ATOM 725 CB ASP A 49 -1.592 -2.142 10.638 1.00 0.00 C ATOM 726 CG ASP A 49 -0.670 -1.588 11.706 1.00 0.00 C ATOM 727 OD1 ASP A 49 -1.000 -1.724 12.902 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.381 -1.017 11.345 1.00 0.00 O ATOM 0 H ASP A 49 -2.921 -3.482 9.052 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.292 -4.201 11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.055 -2.196 9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.427 -1.457 10.492 1.00 0.00 H new ATOM 733 N GLY A 50 -2.546 -4.188 13.292 1.00 0.00 N ATOM 734 CA GLY A 50 -3.267 -4.189 14.551 1.00 0.00 C ATOM 735 C GLY A 50 -4.316 -5.282 14.616 1.00 0.00 C ATOM 736 O GLY A 50 -4.231 -6.185 15.449 1.00 0.00 O ATOM 0 H GLY A 50 -1.719 -4.784 13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.561 -4.318 15.371 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.746 -3.220 14.693 1.00 0.00 H new ATOM 740 N TYR A 51 -5.309 -5.199 13.738 1.00 0.00 N ATOM 741 CA TYR A 51 -6.382 -6.186 13.703 1.00 0.00 C ATOM 742 C TYR A 51 -5.819 -7.599 13.581 1.00 0.00 C ATOM 743 O TYR A 51 -4.658 -7.787 13.216 1.00 0.00 O ATOM 744 CB TYR A 51 -7.328 -5.900 12.535 1.00 0.00 C ATOM 745 CG TYR A 51 -7.908 -4.504 12.554 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.068 -4.221 13.265 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.296 -3.467 11.860 1.00 0.00 C ATOM 748 CE1 TYR A 51 -9.601 -2.947 13.284 1.00 0.00 C ATOM 749 CE2 TYR A 51 -7.822 -2.190 11.874 1.00 0.00 C ATOM 750 CZ TYR A 51 -8.974 -1.935 12.588 1.00 0.00 C ATOM 751 OH TYR A 51 -9.502 -0.664 12.604 1.00 0.00 O ATOM 0 H TYR A 51 -5.393 -4.459 13.041 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.937 -6.115 14.638 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.791 -6.048 11.598 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.143 -6.623 12.553 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.561 -5.011 13.812 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.394 -3.663 11.300 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.504 -2.744 13.841 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.334 -1.396 11.329 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.940 -0.069 12.065 1.00 0.00 H new ATOM 761 N SER A 52 -6.650 -8.589 13.889 1.00 0.00 N ATOM 762 CA SER A 52 -6.236 -9.985 13.818 1.00 0.00 C ATOM 763 C SER A 52 -5.710 -10.326 12.427 1.00 0.00 C ATOM 764 O SER A 52 -6.139 -9.744 11.430 1.00 0.00 O ATOM 765 CB SER A 52 -7.405 -10.905 14.173 1.00 0.00 C ATOM 766 OG SER A 52 -6.944 -12.130 14.717 1.00 0.00 O ATOM 0 H SER A 52 -7.615 -8.450 14.190 1.00 0.00 H new ATOM 0 HA SER A 52 -5.432 -10.136 14.539 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.058 -10.408 14.890 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.001 -11.101 13.282 1.00 0.00 H new ATOM 0 HG SER A 52 -7.711 -12.699 14.937 1.00 0.00 H new ATOM 772 N ASP A 53 -4.780 -11.272 12.368 1.00 0.00 N ATOM 773 CA ASP A 53 -4.196 -11.693 11.099 1.00 0.00 C ATOM 774 C ASP A 53 -5.173 -12.561 10.312 1.00 0.00 C ATOM 775 O ASP A 53 -5.202 -12.520 9.082 1.00 0.00 O ATOM 776 CB ASP A 53 -2.895 -12.459 11.341 1.00 0.00 C ATOM 777 CG ASP A 53 -1.838 -11.606 12.016 1.00 0.00 C ATOM 778 OD1 ASP A 53 -2.069 -11.175 13.165 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.781 -11.369 11.394 1.00 0.00 O ATOM 0 H ASP A 53 -4.414 -11.762 13.184 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.979 -10.800 10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.101 -13.333 11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.510 -12.825 10.389 1.00 0.00 H new ATOM 784 N CYS A 54 -5.970 -13.345 11.030 1.00 0.00 N ATOM 785 CA CYS A 54 -6.947 -14.225 10.398 1.00 0.00 C ATOM 786 C CYS A 54 -7.666 -13.510 9.258 1.00 0.00 C ATOM 787 O CYS A 54 -8.114 -14.141 8.301 1.00 0.00 O ATOM 788 CB CYS A 54 -7.964 -14.716 11.430 1.00 0.00 C ATOM 789 SG CYS A 54 -7.482 -16.242 12.272 1.00 0.00 S ATOM 0 H CYS A 54 -5.959 -13.389 12.049 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.415 -15.082 9.986 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.116 -13.935 12.175 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.922 -14.874 10.934 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.403 -16.576 13.126 1.00 0.00 H new ATOM 795 N TYR A 55 -7.772 -12.191 9.368 1.00 0.00 N ATOM 796 CA TYR A 55 -8.440 -11.390 8.349 1.00 0.00 C ATOM 797 C TYR A 55 -7.456 -10.951 7.269 1.00 0.00 C ATOM 798 O TYR A 55 -7.537 -9.835 6.756 1.00 0.00 O ATOM 799 CB TYR A 55 -9.098 -10.164 8.984 1.00 0.00 C ATOM 800 CG TYR A 55 -10.098 -10.505 10.065 1.00 0.00 C ATOM 801 CD1 TYR A 55 -11.159 -11.366 9.812 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.982 -9.967 11.341 1.00 0.00 C ATOM 803 CE1 TYR A 55 -12.075 -11.680 10.797 1.00 0.00 C ATOM 804 CE2 TYR A 55 -10.893 -10.276 12.332 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.938 -11.132 12.055 1.00 0.00 C ATOM 806 OH TYR A 55 -12.848 -11.444 13.039 1.00 0.00 O ATOM 0 H TYR A 55 -7.404 -11.653 10.153 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.209 -12.007 7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.323 -9.524 9.406 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.599 -9.587 8.206 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.269 -11.797 8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.165 -9.296 11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.894 -12.351 10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.787 -9.849 13.319 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.608 -10.976 13.866 1.00 0.00 H new ATOM 816 N ASP A 56 -6.527 -11.838 6.930 1.00 0.00 N ATOM 817 CA ASP A 56 -5.526 -11.545 5.910 1.00 0.00 C ATOM 818 C ASP A 56 -5.941 -12.122 4.560 1.00 0.00 C ATOM 819 O ASP A 56 -6.512 -13.210 4.487 1.00 0.00 O ATOM 820 CB ASP A 56 -4.166 -12.108 6.323 1.00 0.00 C ATOM 821 CG ASP A 56 -4.271 -13.499 6.918 1.00 0.00 C ATOM 822 OD1 ASP A 56 -5.164 -14.261 6.492 1.00 0.00 O ATOM 823 OD2 ASP A 56 -3.461 -13.825 7.810 1.00 0.00 O ATOM 0 H ASP A 56 -6.446 -12.766 7.346 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.448 -10.462 5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.509 -12.137 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.705 -11.439 7.050 1.00 0.00 H new ATOM 828 N PHE A 57 -5.651 -11.385 3.493 1.00 0.00 N ATOM 829 CA PHE A 57 -5.996 -11.821 2.145 1.00 0.00 C ATOM 830 C PHE A 57 -4.876 -11.492 1.163 1.00 0.00 C ATOM 831 O PHE A 57 -4.113 -10.549 1.370 1.00 0.00 O ATOM 832 CB PHE A 57 -7.300 -11.161 1.690 1.00 0.00 C ATOM 833 CG PHE A 57 -7.298 -9.667 1.839 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.751 -8.859 0.855 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.844 -9.069 2.964 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.749 -7.484 0.989 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.845 -7.694 3.103 1.00 0.00 C ATOM 838 CZ PHE A 57 -7.296 -6.901 2.115 1.00 0.00 C ATOM 0 H PHE A 57 -5.178 -10.483 3.536 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.132 -12.902 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.481 -11.414 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.128 -11.575 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.321 -9.310 -0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.273 -9.684 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.320 -6.866 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.275 -7.240 3.984 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.294 -5.826 2.223 1.00 0.00 H new ATOM 848 N TRP A 58 -4.784 -12.276 0.095 1.00 0.00 N ATOM 849 CA TRP A 58 -3.757 -12.068 -0.919 1.00 0.00 C ATOM 850 C TRP A 58 -4.314 -11.294 -2.108 1.00 0.00 C ATOM 851 O TRP A 58 -5.301 -11.703 -2.720 1.00 0.00 O ATOM 852 CB TRP A 58 -3.195 -13.412 -1.388 1.00 0.00 C ATOM 853 CG TRP A 58 -2.389 -14.117 -0.339 1.00 0.00 C ATOM 854 CD1 TRP A 58 -2.840 -14.592 0.859 1.00 0.00 C ATOM 855 CD2 TRP A 58 -0.992 -14.424 -0.394 1.00 0.00 C ATOM 856 NE1 TRP A 58 -1.808 -15.177 1.552 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.663 -15.087 0.804 1.00 0.00 C ATOM 858 CE3 TRP A 58 0.013 -14.205 -1.340 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.627 -15.531 1.080 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.294 -14.646 -1.065 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.592 -15.303 0.136 1.00 0.00 C ATOM 0 H TRP A 58 -5.408 -13.061 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.954 -11.482 -0.472 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.020 -14.055 -1.696 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.572 -13.250 -2.267 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.859 -14.519 1.210 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.882 -15.608 2.473 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.207 -13.700 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.858 -16.037 2.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.079 -14.481 -1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.603 -15.636 0.321 1.00 0.00 H new ATOM 872 N VAL A 59 -3.676 -10.174 -2.431 1.00 0.00 N ATOM 873 CA VAL A 59 -4.109 -9.343 -3.549 1.00 0.00 C ATOM 874 C VAL A 59 -3.117 -9.417 -4.704 1.00 0.00 C ATOM 875 O VAL A 59 -2.064 -10.043 -4.593 1.00 0.00 O ATOM 876 CB VAL A 59 -4.275 -7.872 -3.123 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.244 -7.760 -1.955 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.927 -7.264 -2.767 1.00 0.00 C ATOM 0 H VAL A 59 -2.858 -9.821 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.074 -9.730 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.689 -7.314 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.349 -6.714 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.216 -8.154 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.862 -8.332 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.064 -6.225 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.482 -7.822 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.267 -7.309 -3.634 1.00 0.00 H new ATOM 888 N ASN A 60 -3.461 -8.771 -5.814 1.00 0.00 N ATOM 889 CA ASN A 60 -2.600 -8.763 -6.991 1.00 0.00 C ATOM 890 C ASN A 60 -1.377 -7.880 -6.765 1.00 0.00 C ATOM 891 O ASN A 60 -1.500 -6.718 -6.381 1.00 0.00 O ATOM 892 CB ASN A 60 -3.378 -8.272 -8.214 1.00 0.00 C ATOM 893 CG ASN A 60 -4.591 -9.133 -8.511 1.00 0.00 C ATOM 894 OD1 ASN A 60 -4.483 -10.351 -8.650 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.755 -8.501 -8.610 1.00 0.00 N ATOM 0 H ASN A 60 -4.329 -8.247 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.261 -9.784 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.698 -7.243 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.719 -8.266 -9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.606 -9.027 -8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.798 -7.489 -8.487 1.00 0.00 H new ATOM 902 N ALA A 61 -0.196 -8.441 -7.007 1.00 0.00 N ATOM 903 CA ALA A 61 1.050 -7.705 -6.833 1.00 0.00 C ATOM 904 C ALA A 61 0.962 -6.320 -7.466 1.00 0.00 C ATOM 905 O ALA A 61 1.497 -5.348 -6.932 1.00 0.00 O ATOM 906 CB ALA A 61 2.212 -8.486 -7.426 1.00 0.00 C ATOM 0 H ALA A 61 -0.077 -9.403 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 61 1.221 -7.577 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.136 -7.924 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.296 -9.450 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.038 -8.644 -8.490 1.00 0.00 H new ATOM 912 N ASP A 62 0.286 -6.238 -8.606 1.00 0.00 N ATOM 913 CA ASP A 62 0.128 -4.972 -9.313 1.00 0.00 C ATOM 914 C ASP A 62 -1.320 -4.497 -9.260 1.00 0.00 C ATOM 915 O ASP A 62 -1.850 -3.978 -10.242 1.00 0.00 O ATOM 916 CB ASP A 62 0.579 -5.115 -10.767 1.00 0.00 C ATOM 917 CG ASP A 62 2.071 -5.350 -10.891 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.810 -4.970 -9.959 1.00 0.00 O ATOM 919 OD2 ASP A 62 2.501 -5.912 -11.920 1.00 0.00 O ATOM 0 H ASP A 62 -0.162 -7.033 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 62 0.753 -4.228 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.044 -5.944 -11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.309 -4.214 -11.318 1.00 0.00 H new ATOM 924 N ALA A 63 -1.956 -4.680 -8.107 1.00 0.00 N ATOM 925 CA ALA A 63 -3.343 -4.269 -7.926 1.00 0.00 C ATOM 926 C ALA A 63 -3.463 -2.750 -7.870 1.00 0.00 C ATOM 927 O ALA A 63 -2.549 -2.061 -7.413 1.00 0.00 O ATOM 928 CB ALA A 63 -3.917 -4.893 -6.663 1.00 0.00 C ATOM 0 H ALA A 63 -1.533 -5.110 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.915 -4.620 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.953 -4.578 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.875 -5.979 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.335 -4.570 -5.800 1.00 0.00 H new ATOM 934 N LEU A 64 -4.594 -2.233 -8.337 1.00 0.00 N ATOM 935 CA LEU A 64 -4.833 -0.794 -8.340 1.00 0.00 C ATOM 936 C LEU A 64 -5.332 -0.322 -6.979 1.00 0.00 C ATOM 937 O LEU A 64 -4.862 0.685 -6.449 1.00 0.00 O ATOM 938 CB LEU A 64 -5.849 -0.428 -9.424 1.00 0.00 C ATOM 939 CG LEU A 64 -5.516 -0.894 -10.841 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.745 -0.813 -11.733 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.379 -0.066 -11.422 1.00 0.00 C ATOM 0 H LEU A 64 -5.360 -2.789 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.888 -0.294 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.816 -0.846 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.962 0.656 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.194 -1.934 -10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.488 -1.149 -12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.531 -1.450 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.098 0.218 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.156 -0.412 -12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.673 0.983 -11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.493 -0.175 -10.797 1.00 0.00 H new ATOM 953 N ASP A 65 -6.285 -1.056 -6.417 1.00 0.00 N ATOM 954 CA ASP A 65 -6.846 -0.715 -5.114 1.00 0.00 C ATOM 955 C ASP A 65 -5.745 -0.322 -4.135 1.00 0.00 C ATOM 956 O ASP A 65 -5.860 0.678 -3.425 1.00 0.00 O ATOM 957 CB ASP A 65 -7.646 -1.892 -4.556 1.00 0.00 C ATOM 958 CG ASP A 65 -8.283 -2.730 -5.647 1.00 0.00 C ATOM 959 OD1 ASP A 65 -9.302 -2.287 -6.218 1.00 0.00 O ATOM 960 OD2 ASP A 65 -7.762 -3.828 -5.932 1.00 0.00 O ATOM 0 H ASP A 65 -6.686 -1.892 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.513 0.138 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.989 -2.521 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.423 -1.516 -3.891 1.00 0.00 H new ATOM 965 N ILE A 66 -4.679 -1.115 -4.101 1.00 0.00 N ATOM 966 CA ILE A 66 -3.558 -0.849 -3.208 1.00 0.00 C ATOM 967 C ILE A 66 -2.771 0.375 -3.663 1.00 0.00 C ATOM 968 O ILE A 66 -2.811 0.752 -4.835 1.00 0.00 O ATOM 969 CB ILE A 66 -2.605 -2.057 -3.127 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.934 -2.297 -4.481 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.360 -3.298 -2.675 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.826 -3.325 -4.432 1.00 0.00 C ATOM 0 H ILE A 66 -4.568 -1.946 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.979 -0.661 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.829 -1.841 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.688 -2.621 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.528 -1.354 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.673 -4.143 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.794 -3.122 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.155 -3.520 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.396 -3.444 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.052 -2.993 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.230 -4.280 -4.095 1.00 0.00 H new ATOM 984 N HIS A 67 -2.054 0.992 -2.729 1.00 0.00 N ATOM 985 CA HIS A 67 -1.255 2.173 -3.034 1.00 0.00 C ATOM 986 C HIS A 67 -0.053 2.273 -2.099 1.00 0.00 C ATOM 987 O HIS A 67 -0.059 1.751 -0.985 1.00 0.00 O ATOM 988 CB HIS A 67 -2.109 3.436 -2.921 1.00 0.00 C ATOM 989 CG HIS A 67 -3.141 3.560 -4.000 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.825 3.833 -5.315 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.489 3.445 -3.954 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.935 3.882 -6.030 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.958 3.650 -5.228 1.00 0.00 N ATOM 0 H HIS A 67 -2.010 0.693 -1.755 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.891 2.080 -4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.607 3.443 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.457 4.309 -2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.084 3.232 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.995 4.078 -7.090 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.938 3.627 -5.509 1.00 0.00 H new ATOM 1002 N PRO A 68 1.003 2.958 -2.563 1.00 0.00 N ATOM 1003 CA PRO A 68 2.231 3.142 -1.784 1.00 0.00 C ATOM 1004 C PRO A 68 2.028 4.070 -0.592 1.00 0.00 C ATOM 1005 O PRO A 68 1.122 4.903 -0.588 1.00 0.00 O ATOM 1006 CB PRO A 68 3.199 3.768 -2.791 1.00 0.00 C ATOM 1007 CG PRO A 68 2.323 4.446 -3.787 1.00 0.00 C ATOM 1008 CD PRO A 68 1.078 3.607 -3.883 1.00 0.00 C ATOM 0 HA PRO A 68 2.587 2.205 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.870 4.477 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.823 3.010 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.086 5.462 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.818 4.521 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.197 4.217 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.147 2.875 -4.688 1.00 0.00 H new ATOM 1016 N VAL A 69 2.877 3.921 0.420 1.00 0.00 N ATOM 1017 CA VAL A 69 2.792 4.747 1.618 1.00 0.00 C ATOM 1018 C VAL A 69 2.750 6.229 1.262 1.00 0.00 C ATOM 1019 O VAL A 69 3.394 6.667 0.310 1.00 0.00 O ATOM 1020 CB VAL A 69 3.981 4.490 2.563 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.886 5.378 3.795 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.042 3.022 2.956 1.00 0.00 C ATOM 0 H VAL A 69 3.632 3.235 0.434 1.00 0.00 H new ATOM 0 HA VAL A 69 1.868 4.472 2.127 1.00 0.00 H new ATOM 0 HB VAL A 69 4.902 4.739 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.734 5.182 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.896 6.425 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.959 5.164 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.888 2.859 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.119 2.743 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.163 2.411 2.062 1.00 0.00 H new ATOM 1032 N GLY A 70 1.988 6.996 2.035 1.00 0.00 N ATOM 1033 CA GLY A 70 1.876 8.422 1.785 1.00 0.00 C ATOM 1034 C GLY A 70 1.044 8.732 0.557 1.00 0.00 C ATOM 1035 O GLY A 70 1.352 9.660 -0.191 1.00 0.00 O ATOM 0 H GLY A 70 1.446 6.656 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.430 8.906 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.873 8.845 1.661 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.011 7.953 0.347 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.889 8.149 -0.801 1.00 0.00 C ATOM 1041 C TRP A 71 -2.088 9.014 -0.428 1.00 0.00 C ATOM 1042 O TRP A 71 -2.338 10.047 -1.051 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.366 6.799 -1.340 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.246 6.919 -2.547 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.862 6.821 -3.854 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.657 7.162 -2.559 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.950 6.988 -4.677 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.063 7.198 -3.907 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.617 7.351 -1.561 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.386 7.416 -4.280 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.930 7.567 -1.933 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.305 7.597 -3.283 1.00 0.00 C ATOM 0 H TRP A 71 -0.279 7.180 0.956 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.322 8.663 -1.577 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.498 6.189 -1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.909 6.273 -0.554 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.852 6.639 -4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.932 6.960 -5.696 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.338 7.329 -0.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.677 7.441 -5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.680 7.715 -1.170 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.340 7.766 -3.541 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.827 8.586 0.590 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.001 9.322 1.045 1.00 0.00 C ATOM 1065 C CYS A 72 -3.693 10.810 1.176 1.00 0.00 C ATOM 1066 O CYS A 72 -4.482 11.656 0.758 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.487 8.769 2.385 1.00 0.00 C ATOM 1068 SG CYS A 72 -3.242 8.808 3.695 1.00 0.00 S ATOM 0 H CYS A 72 -2.634 7.733 1.116 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.788 9.197 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.357 9.341 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.817 7.740 2.243 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.828 8.735 4.853 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.540 11.121 1.762 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.130 12.507 1.951 1.00 0.00 C ATOM 1076 C GLU A 73 -1.758 13.151 0.618 1.00 0.00 C ATOM 1077 O GLU A 73 -2.125 14.293 0.343 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.945 12.585 2.915 1.00 0.00 C ATOM 1079 CG GLU A 73 -1.237 12.000 4.287 1.00 0.00 C ATOM 1080 CD GLU A 73 -0.242 12.452 5.338 1.00 0.00 C ATOM 1081 OE1 GLU A 73 0.337 13.546 5.176 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -0.043 11.710 6.323 1.00 0.00 O ATOM 0 H GLU A 73 -1.875 10.432 2.113 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.972 13.053 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.097 12.058 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.649 13.628 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.242 12.290 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.224 10.912 4.224 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.026 12.409 -0.206 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.603 12.905 -1.511 1.00 0.00 C ATOM 1091 C LYS A 74 -1.803 13.362 -2.334 1.00 0.00 C ATOM 1092 O LYS A 74 -1.781 14.433 -2.941 1.00 0.00 O ATOM 1093 CB LYS A 74 0.163 11.818 -2.268 1.00 0.00 C ATOM 1094 CG LYS A 74 0.984 12.350 -3.430 1.00 0.00 C ATOM 1095 CD LYS A 74 0.100 12.775 -4.590 1.00 0.00 C ATOM 1096 CE LYS A 74 0.840 12.687 -5.916 1.00 0.00 C ATOM 1097 NZ LYS A 74 0.963 11.281 -6.390 1.00 0.00 N ATOM 0 H LYS A 74 -0.713 11.462 0.007 1.00 0.00 H new ATOM 0 HA LYS A 74 0.053 13.760 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.825 11.301 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.546 11.080 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.581 13.199 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.681 11.582 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.787 12.142 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.244 13.797 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.314 13.278 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.834 13.122 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.334 11.273 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.613 10.760 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.028 10.826 -6.373 1.00 0.00 H new ATOM 1111 N THR A 75 -2.852 12.545 -2.349 1.00 0.00 N ATOM 1112 CA THR A 75 -4.061 12.866 -3.096 1.00 0.00 C ATOM 1113 C THR A 75 -5.057 13.629 -2.230 1.00 0.00 C ATOM 1114 O THR A 75 -5.474 14.734 -2.573 1.00 0.00 O ATOM 1115 CB THR A 75 -4.739 11.595 -3.640 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.162 10.762 -2.555 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.791 10.819 -4.542 1.00 0.00 C ATOM 0 H THR A 75 -2.888 11.655 -1.851 1.00 0.00 H new ATOM 0 HA THR A 75 -3.757 13.494 -3.934 1.00 0.00 H new ATOM 0 HB THR A 75 -5.607 11.896 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.401 9.875 -2.897 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.292 9.926 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.495 11.446 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.906 10.529 -3.976 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.433 13.031 -1.103 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.377 13.670 -0.205 1.00 0.00 C ATOM 1127 C GLY A 76 -7.570 12.787 0.105 1.00 0.00 C ATOM 1128 O GLY A 76 -8.673 13.026 -0.389 1.00 0.00 O ATOM 0 H GLY A 76 -5.101 12.117 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.871 13.931 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.725 14.602 -0.651 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.350 11.764 0.924 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.417 10.841 1.298 1.00 0.00 C ATOM 1134 C HIS A 77 -8.391 10.561 2.798 1.00 0.00 C ATOM 1135 O HIS A 77 -7.337 10.613 3.432 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.284 9.532 0.520 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.367 8.543 0.822 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -9.317 7.675 1.893 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.536 8.289 0.188 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -10.407 6.928 1.902 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.163 7.281 0.878 1.00 0.00 N ATOM 0 H HIS A 77 -6.444 11.553 1.341 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.371 11.306 1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.291 9.751 -0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.318 9.081 0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.906 8.787 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -10.640 6.159 2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.066 6.871 0.639 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.558 10.264 3.360 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.670 9.974 4.784 1.00 0.00 C ATOM 1152 C LYS A 78 -9.216 8.550 5.087 1.00 0.00 C ATOM 1153 O LYS A 78 -10.010 7.610 5.034 1.00 0.00 O ATOM 1154 CB LYS A 78 -11.113 10.172 5.253 1.00 0.00 C ATOM 1155 CG LYS A 78 -11.477 11.624 5.505 1.00 0.00 C ATOM 1156 CD LYS A 78 -11.072 12.067 6.901 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.803 13.563 6.955 1.00 0.00 C ATOM 1158 NZ LYS A 78 -10.901 14.095 8.343 1.00 0.00 N ATOM 0 H LYS A 78 -10.440 10.218 2.850 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.021 10.665 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.789 9.762 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.270 9.603 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.987 12.257 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.551 11.758 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.862 11.813 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.179 11.524 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.809 13.768 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.516 14.083 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.711 15.117 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.857 13.923 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.203 13.617 8.948 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.936 8.398 5.408 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.376 7.087 5.721 1.00 0.00 C ATOM 1174 C LEU A 79 -7.976 6.534 7.010 1.00 0.00 C ATOM 1175 O LEU A 79 -8.310 7.287 7.925 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.855 7.179 5.851 1.00 0.00 C ATOM 1177 CG LEU A 79 -5.170 6.007 6.556 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.353 4.724 5.759 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.691 6.301 6.765 1.00 0.00 C ATOM 0 H LEU A 79 -7.266 9.166 5.459 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.624 6.408 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.430 7.275 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.611 8.094 6.390 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.635 5.873 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.859 3.901 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.416 4.505 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.915 4.845 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.220 5.457 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.212 6.462 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.581 7.196 7.378 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.107 5.213 7.076 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.664 4.557 8.254 1.00 0.00 C ATOM 1193 C HIS A 80 -7.554 3.998 9.140 1.00 0.00 C ATOM 1194 O HIS A 80 -6.828 3.079 8.760 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.615 3.435 7.838 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.791 3.911 7.043 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.096 3.626 7.386 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.855 4.658 5.917 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.911 4.176 6.504 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.183 4.809 5.602 1.00 0.00 N ATOM 0 H HIS A 80 -7.835 4.576 6.328 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.220 5.301 8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.063 2.701 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.974 2.924 8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.017 5.061 5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.989 4.118 6.518 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.548 5.326 4.802 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.418 4.565 10.348 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.399 4.138 11.312 1.00 0.00 C ATOM 1211 C PRO A 81 -6.686 2.755 11.885 1.00 0.00 C ATOM 1212 O PRO A 81 -7.816 2.266 11.856 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.485 5.200 12.411 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.875 5.727 12.321 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.249 5.664 10.866 1.00 0.00 C ATOM 0 HA PRO A 81 -5.413 4.056 10.854 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.287 4.770 13.393 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.751 5.991 12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.558 5.131 12.926 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.929 6.750 12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.312 5.462 10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.037 6.603 10.355 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.640 2.106 12.418 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.756 0.769 13.009 1.00 0.00 C ATOM 1225 C PRO A 82 -6.542 0.779 14.316 1.00 0.00 C ATOM 1226 O PRO A 82 -7.045 1.819 14.742 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.301 0.367 13.263 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.570 1.658 13.401 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.265 2.628 12.487 1.00 0.00 C ATOM 0 HA PRO A 82 -6.296 0.081 12.358 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.209 -0.238 14.165 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.905 -0.226 12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.591 2.010 14.432 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.522 1.544 13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.240 3.643 12.884 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.797 2.659 11.503 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.644 -0.385 14.948 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.367 -0.512 16.208 1.00 0.00 C ATOM 1239 C LYS A 83 -6.792 0.428 17.262 1.00 0.00 C ATOM 1240 O LYS A 83 -5.583 0.456 17.490 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.309 -1.956 16.710 1.00 0.00 C ATOM 1242 CG LYS A 83 -5.943 -2.363 17.235 1.00 0.00 C ATOM 1243 CD LYS A 83 -5.803 -2.062 18.718 1.00 0.00 C ATOM 1244 CE LYS A 83 -4.347 -1.866 19.112 1.00 0.00 C ATOM 1245 NZ LYS A 83 -4.171 -1.844 20.591 1.00 0.00 N ATOM 0 H LYS A 83 -6.235 -1.255 14.608 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.407 -0.238 16.031 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.047 -2.087 17.502 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.591 -2.626 15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.789 -3.428 17.063 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.167 -1.835 16.681 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.371 -1.165 18.963 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.231 -2.879 19.298 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.744 -2.668 18.686 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.979 -0.932 18.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.165 -1.709 20.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.726 -1.063 20.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.499 -2.745 20.993 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.666 1.197 17.905 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.226 2.126 18.929 1.00 0.00 C ATOM 1261 C GLY A 84 -6.328 3.215 18.376 1.00 0.00 C ATOM 1262 O GLY A 84 -5.341 3.595 19.006 1.00 0.00 O ATOM 0 H GLY A 84 -8.672 1.193 17.734 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.097 2.582 19.400 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.692 1.579 19.706 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.669 3.717 17.194 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.884 4.766 16.554 1.00 0.00 C ATOM 1268 C TYR A 85 -6.787 5.744 15.809 1.00 0.00 C ATOM 1269 O TYR A 85 -7.858 5.375 15.325 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.869 4.155 15.588 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.538 3.835 16.230 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.562 4.814 16.376 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.255 2.555 16.691 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.344 4.527 16.962 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.041 2.260 17.279 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.089 3.249 17.412 1.00 0.00 C ATOM 1277 OH TYR A 85 0.123 2.958 17.997 1.00 0.00 O ATOM 0 H TYR A 85 -7.484 3.414 16.660 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.351 5.312 17.333 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.287 3.242 15.164 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.707 4.845 14.760 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.759 5.816 16.025 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.997 1.777 16.588 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.596 5.299 17.067 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.838 1.260 17.633 1.00 0.00 H new ATOM 0 HH TYR A 85 0.141 2.014 18.259 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.348 6.995 15.719 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.113 8.028 15.032 1.00 0.00 C ATOM 1289 C LYS A 86 -6.280 8.682 13.934 1.00 0.00 C ATOM 1290 O LYS A 86 -5.068 8.841 14.074 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.586 9.089 16.028 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.698 8.611 16.945 1.00 0.00 C ATOM 1293 CD LYS A 86 -10.024 8.512 16.208 1.00 0.00 C ATOM 1294 CE LYS A 86 -11.196 8.454 17.176 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.453 7.067 17.652 1.00 0.00 N ATOM 0 H LYS A 86 -5.465 7.318 16.114 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.982 7.557 14.573 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.739 9.409 16.635 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.932 9.964 15.477 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.437 7.637 17.358 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.798 9.298 17.786 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.139 9.371 15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.026 7.622 15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.994 9.100 18.031 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.090 8.842 16.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.259 7.069 18.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.671 6.456 16.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.609 6.706 18.140 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.939 9.059 12.843 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.259 9.696 11.722 1.00 0.00 C ATOM 1311 C GLU A 87 -5.419 10.879 12.196 1.00 0.00 C ATOM 1312 O GLU A 87 -4.521 11.337 11.491 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.275 10.164 10.678 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.426 10.964 11.265 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.553 10.082 11.766 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -9.802 9.028 11.145 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -10.185 10.445 12.780 1.00 0.00 O ATOM 0 H GLU A 87 -7.943 8.934 12.712 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.596 8.960 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.763 10.773 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.676 9.294 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.056 11.576 12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.813 11.646 10.508 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.721 11.368 13.395 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.995 12.499 13.963 1.00 0.00 C ATOM 1326 C GLU A 88 -3.895 12.020 14.907 1.00 0.00 C ATOM 1327 O GLU A 88 -2.868 12.679 15.063 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.955 13.427 14.709 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.728 12.736 15.821 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.689 13.670 16.530 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -7.438 14.893 16.530 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -8.694 13.177 17.085 1.00 0.00 O ATOM 0 H GLU A 88 -6.462 11.000 13.991 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.533 13.050 13.144 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.389 14.257 15.132 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.662 13.853 13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.284 11.896 15.404 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.025 12.325 16.546 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.120 10.870 15.533 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.150 10.305 16.463 1.00 0.00 C ATOM 1341 C GLU A 89 -2.259 9.282 15.764 1.00 0.00 C ATOM 1342 O GLU A 89 -1.704 8.387 16.402 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.865 9.650 17.647 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.522 10.646 18.587 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.727 11.930 18.726 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.533 11.853 19.081 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.301 13.012 18.478 1.00 0.00 O ATOM 0 H GLU A 89 -4.965 10.311 15.413 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.523 11.117 16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.624 8.965 17.269 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.147 9.052 18.209 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.522 10.880 18.221 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.641 10.189 19.569 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.128 9.420 14.449 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.307 8.508 13.662 1.00 0.00 C ATOM 1356 C PHE A 90 -0.513 9.267 12.603 1.00 0.00 C ATOM 1357 O PHE A 90 -1.029 10.182 11.962 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.183 7.446 12.994 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.400 6.419 12.227 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.420 5.666 12.853 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.645 6.207 10.880 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.302 4.719 12.150 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.926 5.262 10.172 1.00 0.00 C ATOM 1364 CZ PHE A 90 0.049 4.518 10.807 1.00 0.00 C ATOM 0 H PHE A 90 -2.580 10.155 13.906 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.605 8.018 14.336 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.776 6.943 13.758 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.883 7.937 12.318 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.217 5.820 13.903 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.406 6.786 10.378 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.062 4.138 12.650 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.127 5.106 9.122 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.612 3.781 10.255 1.00 0.00 H new ATOM 1374 N ASN A 91 0.747 8.881 12.426 1.00 0.00 N ATOM 1375 CA ASN A 91 1.613 9.525 11.446 1.00 0.00 C ATOM 1376 C ASN A 91 2.597 8.524 10.848 1.00 0.00 C ATOM 1377 O ASN A 91 3.490 8.029 11.537 1.00 0.00 O ATOM 1378 CB ASN A 91 2.376 10.683 12.092 1.00 0.00 C ATOM 1379 CG ASN A 91 1.626 11.997 11.991 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.479 12.105 12.424 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.274 13.005 11.418 1.00 0.00 N ATOM 0 H ASN A 91 1.190 8.126 12.949 1.00 0.00 H new ATOM 0 HA ASN A 91 0.986 9.914 10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.560 10.453 13.141 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.349 10.786 11.612 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.821 13.914 11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.224 12.870 11.073 1.00 0.00 H new ATOM 1388 N TRP A 92 2.428 8.231 9.564 1.00 0.00 N ATOM 1389 CA TRP A 92 3.301 7.289 8.873 1.00 0.00 C ATOM 1390 C TRP A 92 4.753 7.481 9.298 1.00 0.00 C ATOM 1391 O TRP A 92 5.326 6.631 9.978 1.00 0.00 O ATOM 1392 CB TRP A 92 3.173 7.460 7.358 1.00 0.00 C ATOM 1393 CG TRP A 92 2.109 6.597 6.751 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.903 7.007 6.259 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.155 5.177 6.573 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.196 5.928 5.786 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.943 4.794 5.967 1.00 0.00 C ATOM 1398 CE3 TRP A 92 3.103 4.193 6.865 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.656 3.469 5.649 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.817 2.878 6.550 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.602 2.526 5.947 1.00 0.00 C ATOM 0 H TRP A 92 1.694 8.632 8.980 1.00 0.00 H new ATOM 0 HA TRP A 92 2.993 6.279 9.145 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.955 8.504 7.135 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.130 7.227 6.891 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.556 8.030 6.244 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.734 5.965 5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 92 4.043 4.455 7.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.280 3.195 5.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.542 2.109 6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.408 1.490 5.713 1.00 0.00 H new ATOM 1412 N GLN A 93 5.341 8.602 8.893 1.00 0.00 N ATOM 1413 CA GLN A 93 6.726 8.904 9.232 1.00 0.00 C ATOM 1414 C GLN A 93 7.041 8.478 10.662 1.00 0.00 C ATOM 1415 O GLN A 93 8.016 7.768 10.910 1.00 0.00 O ATOM 1416 CB GLN A 93 7.002 10.398 9.060 1.00 0.00 C ATOM 1417 CG GLN A 93 5.962 11.289 9.720 1.00 0.00 C ATOM 1418 CD GLN A 93 5.996 12.712 9.197 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.446 13.628 9.885 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.517 12.904 7.973 1.00 0.00 N ATOM 0 H GLN A 93 4.879 9.316 8.330 1.00 0.00 H new ATOM 0 HA GLN A 93 7.370 8.343 8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.983 10.628 9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.045 10.631 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.970 10.868 9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.128 11.298 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.154 12.115 7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.513 13.840 7.568 1.00 0.00 H new ATOM 1429 N THR A 94 6.209 8.917 11.602 1.00 0.00 N ATOM 1430 CA THR A 94 6.400 8.583 13.008 1.00 0.00 C ATOM 1431 C THR A 94 6.356 7.075 13.226 1.00 0.00 C ATOM 1432 O THR A 94 7.096 6.535 14.048 1.00 0.00 O ATOM 1433 CB THR A 94 5.330 9.250 13.893 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.285 10.657 13.631 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.623 9.013 15.367 1.00 0.00 C ATOM 0 H THR A 94 5.397 9.505 11.415 1.00 0.00 H new ATOM 0 HA THR A 94 7.383 8.959 13.292 1.00 0.00 H new ATOM 0 HB THR A 94 4.364 8.805 13.654 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.601 11.073 14.196 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.854 9.493 15.973 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.628 7.942 15.569 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.597 9.434 15.617 1.00 0.00 H new ATOM 1443 N TYR A 95 5.484 6.400 12.484 1.00 0.00 N ATOM 1444 CA TYR A 95 5.343 4.954 12.598 1.00 0.00 C ATOM 1445 C TYR A 95 6.495 4.237 11.900 1.00 0.00 C ATOM 1446 O TYR A 95 6.800 3.083 12.205 1.00 0.00 O ATOM 1447 CB TYR A 95 4.009 4.502 12.000 1.00 0.00 C ATOM 1448 CG TYR A 95 3.815 3.003 12.016 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.095 2.258 13.155 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.351 2.331 10.892 1.00 0.00 C ATOM 1451 CE1 TYR A 95 3.920 0.888 13.174 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.172 0.961 10.902 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.458 0.244 12.045 1.00 0.00 C ATOM 1454 OH TYR A 95 3.281 -1.121 12.060 1.00 0.00 O ATOM 0 H TYR A 95 4.865 6.832 11.798 1.00 0.00 H new ATOM 0 HA TYR A 95 5.366 4.695 13.656 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.195 4.971 12.553 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.942 4.858 10.972 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.456 2.759 14.041 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.126 2.889 9.995 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.144 0.324 14.068 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.810 0.454 10.020 1.00 0.00 H new ATOM 0 HH TYR A 95 2.346 -1.332 11.858 1.00 0.00 H new ATOM 1464 N LEU A 96 7.131 4.929 10.962 1.00 0.00 N ATOM 1465 CA LEU A 96 8.251 4.361 10.220 1.00 0.00 C ATOM 1466 C LEU A 96 9.573 4.643 10.927 1.00 0.00 C ATOM 1467 O LEU A 96 10.569 3.954 10.704 1.00 0.00 O ATOM 1468 CB LEU A 96 8.289 4.929 8.800 1.00 0.00 C ATOM 1469 CG LEU A 96 6.986 4.837 8.005 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.880 5.988 7.017 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.895 3.501 7.283 1.00 0.00 C ATOM 0 H LEU A 96 6.891 5.884 10.697 1.00 0.00 H new ATOM 0 HA LEU A 96 8.110 3.281 10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.583 5.977 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.069 4.409 8.243 1.00 0.00 H new ATOM 0 HG LEU A 96 6.152 4.908 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.946 5.905 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.898 6.934 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.720 5.951 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.961 3.453 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.736 3.400 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.922 2.691 8.012 1.00 0.00 H new ATOM 1483 N LYS A 97 9.574 5.659 11.784 1.00 0.00 N ATOM 1484 CA LYS A 97 10.772 6.031 12.528 1.00 0.00 C ATOM 1485 C LYS A 97 10.854 5.264 13.845 1.00 0.00 C ATOM 1486 O LYS A 97 11.943 4.941 14.321 1.00 0.00 O ATOM 1487 CB LYS A 97 10.781 7.536 12.801 1.00 0.00 C ATOM 1488 CG LYS A 97 10.068 7.926 14.084 1.00 0.00 C ATOM 1489 CD LYS A 97 11.012 7.905 15.275 1.00 0.00 C ATOM 1490 CE LYS A 97 10.393 8.581 16.489 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.309 10.058 16.318 1.00 0.00 N ATOM 0 H LYS A 97 8.759 6.239 11.980 1.00 0.00 H new ATOM 0 HA LYS A 97 11.641 5.773 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.814 7.882 12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.311 8.051 11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.640 8.923 13.975 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.239 7.241 14.263 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.266 6.874 15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.942 8.408 15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.395 8.178 16.660 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.986 8.351 17.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.126 10.504 17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.207 10.414 15.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.535 10.288 15.662 1.00 0.00 H new ATOM 1505 N THR A 98 9.695 4.975 14.429 1.00 0.00 N ATOM 1506 CA THR A 98 9.636 4.246 15.690 1.00 0.00 C ATOM 1507 C THR A 98 9.704 2.741 15.459 1.00 0.00 C ATOM 1508 O THR A 98 10.206 1.996 16.302 1.00 0.00 O ATOM 1509 CB THR A 98 8.350 4.577 16.470 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.451 4.087 17.812 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.134 3.965 15.792 1.00 0.00 C ATOM 0 H THR A 98 8.785 5.235 14.049 1.00 0.00 H new ATOM 0 HA THR A 98 10.499 4.560 16.277 1.00 0.00 H new ATOM 0 HB THR A 98 8.230 5.660 16.487 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.630 4.303 18.302 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.238 4.212 16.361 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.043 4.362 14.781 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.249 2.882 15.748 1.00 0.00 H new ATOM 1519 N CYS A 99 9.198 2.300 14.313 1.00 0.00 N ATOM 1520 CA CYS A 99 9.201 0.882 13.972 1.00 0.00 C ATOM 1521 C CYS A 99 10.526 0.479 13.333 1.00 0.00 C ATOM 1522 O CYS A 99 10.910 -0.690 13.356 1.00 0.00 O ATOM 1523 CB CYS A 99 8.045 0.562 13.022 1.00 0.00 C ATOM 1524 SG CYS A 99 7.503 -1.162 13.075 1.00 0.00 S ATOM 0 H CYS A 99 8.781 2.903 13.604 1.00 0.00 H new ATOM 0 HA CYS A 99 9.074 0.312 14.892 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.200 1.205 13.266 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.348 0.806 12.004 1.00 0.00 H new ATOM 0 HG CYS A 99 6.522 -1.334 12.240 1.00 0.00 H new ATOM 1530 N LYS A 100 11.222 1.456 12.761 1.00 0.00 N ATOM 1531 CA LYS A 100 12.505 1.206 12.114 1.00 0.00 C ATOM 1532 C LYS A 100 12.318 0.413 10.824 1.00 0.00 C ATOM 1533 O LYS A 100 13.143 -0.433 10.480 1.00 0.00 O ATOM 1534 CB LYS A 100 13.437 0.448 13.061 1.00 0.00 C ATOM 1535 CG LYS A 100 13.293 0.860 14.516 1.00 0.00 C ATOM 1536 CD LYS A 100 13.295 2.372 14.670 1.00 0.00 C ATOM 1537 CE LYS A 100 13.296 2.783 16.134 1.00 0.00 C ATOM 1538 NZ LYS A 100 13.666 4.215 16.308 1.00 0.00 N ATOM 0 H LYS A 100 10.919 2.429 12.732 1.00 0.00 H new ATOM 0 HA LYS A 100 12.953 2.168 11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.239 -0.620 12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.469 0.608 12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.366 0.453 14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.109 0.433 15.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.172 2.788 14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.419 2.790 14.174 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.308 2.609 16.561 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.997 2.157 16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.541 4.487 17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.660 4.353 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.056 4.806 15.708 1.00 0.00 H new ATOM 1552 N ALA A 101 11.230 0.693 10.115 1.00 0.00 N ATOM 1553 CA ALA A 101 10.938 0.008 8.862 1.00 0.00 C ATOM 1554 C ALA A 101 10.960 0.980 7.687 1.00 0.00 C ATOM 1555 O ALA A 101 11.010 2.195 7.876 1.00 0.00 O ATOM 1556 CB ALA A 101 9.590 -0.692 8.945 1.00 0.00 C ATOM 0 H ALA A 101 10.536 1.389 10.387 1.00 0.00 H new ATOM 0 HA ALA A 101 11.714 -0.740 8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.385 -1.199 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.609 -1.423 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.809 0.044 9.138 1.00 0.00 H new ATOM 1562 N GLN A 102 10.924 0.436 6.474 1.00 0.00 N ATOM 1563 CA GLN A 102 10.941 1.257 5.269 1.00 0.00 C ATOM 1564 C GLN A 102 9.608 1.172 4.534 1.00 0.00 C ATOM 1565 O GLN A 102 8.993 0.108 4.463 1.00 0.00 O ATOM 1566 CB GLN A 102 12.076 0.816 4.343 1.00 0.00 C ATOM 1567 CG GLN A 102 11.843 -0.540 3.697 1.00 0.00 C ATOM 1568 CD GLN A 102 12.998 -0.973 2.816 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.100 -1.234 3.301 1.00 0.00 O ATOM 1570 NE2 GLN A 102 12.753 -1.052 1.513 1.00 0.00 N ATOM 0 H GLN A 102 10.883 -0.568 6.300 1.00 0.00 H new ATOM 0 HA GLN A 102 11.105 2.292 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.207 1.564 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.005 0.783 4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.685 -1.287 4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.931 -0.503 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.825 -0.827 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.493 -1.338 0.871 1.00 0.00 H new ATOM 1579 N ALA A 103 9.166 2.300 3.987 1.00 0.00 N ATOM 1580 CA ALA A 103 7.906 2.353 3.256 1.00 0.00 C ATOM 1581 C ALA A 103 8.089 1.888 1.815 1.00 0.00 C ATOM 1582 O ALA A 103 8.948 2.394 1.094 1.00 0.00 O ATOM 1583 CB ALA A 103 7.335 3.763 3.290 1.00 0.00 C ATOM 0 H ALA A 103 9.662 3.190 4.036 1.00 0.00 H new ATOM 0 HA ALA A 103 7.203 1.677 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.394 3.788 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.159 4.059 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.042 4.453 2.830 1.00 0.00 H new ATOM 1589 N ALA A 104 7.274 0.923 1.402 1.00 0.00 N ATOM 1590 CA ALA A 104 7.345 0.391 0.047 1.00 0.00 C ATOM 1591 C ALA A 104 7.516 1.511 -0.974 1.00 0.00 C ATOM 1592 O ALA A 104 6.879 2.561 -0.892 1.00 0.00 O ATOM 1593 CB ALA A 104 6.099 -0.425 -0.266 1.00 0.00 C ATOM 0 H ALA A 104 6.557 0.494 1.987 1.00 0.00 H new ATOM 0 HA ALA A 104 8.217 -0.260 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.166 -0.816 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.021 -1.254 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.217 0.210 -0.179 1.00 0.00 H new ATOM 1599 N PRO A 105 8.398 1.285 -1.959 1.00 0.00 N ATOM 1600 CA PRO A 105 8.674 2.264 -3.015 1.00 0.00 C ATOM 1601 C PRO A 105 7.499 2.431 -3.972 1.00 0.00 C ATOM 1602 O PRO A 105 6.746 1.488 -4.218 1.00 0.00 O ATOM 1603 CB PRO A 105 9.879 1.667 -3.746 1.00 0.00 C ATOM 1604 CG PRO A 105 9.789 0.202 -3.492 1.00 0.00 C ATOM 1605 CD PRO A 105 9.194 0.056 -2.119 1.00 0.00 C ATOM 0 HA PRO A 105 8.854 3.260 -2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.843 1.887 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.815 2.078 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.166 -0.286 -4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.773 -0.264 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.574 -0.837 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.966 -0.025 -1.353 1.00 0.00 H new ATOM 1613 N LYS A 106 7.346 3.636 -4.510 1.00 0.00 N ATOM 1614 CA LYS A 106 6.264 3.927 -5.443 1.00 0.00 C ATOM 1615 C LYS A 106 6.388 3.076 -6.703 1.00 0.00 C ATOM 1616 O LYS A 106 5.386 2.645 -7.272 1.00 0.00 O ATOM 1617 CB LYS A 106 6.268 5.412 -5.814 1.00 0.00 C ATOM 1618 CG LYS A 106 7.492 5.836 -6.608 1.00 0.00 C ATOM 1619 CD LYS A 106 7.530 7.342 -6.810 1.00 0.00 C ATOM 1620 CE LYS A 106 8.711 7.758 -7.674 1.00 0.00 C ATOM 1621 NZ LYS A 106 8.640 9.196 -8.053 1.00 0.00 N ATOM 0 H LYS A 106 7.959 4.428 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 106 5.321 3.684 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.373 5.636 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.213 6.006 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.394 5.515 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.489 5.338 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.602 7.671 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.593 7.839 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.640 7.570 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.736 7.145 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.462 9.441 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.766 9.371 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.642 9.782 -7.194 1.00 0.00 H new ATOM 1635 N SER A 107 7.623 2.838 -7.131 1.00 0.00 N ATOM 1636 CA SER A 107 7.877 2.041 -8.326 1.00 0.00 C ATOM 1637 C SER A 107 6.978 0.808 -8.357 1.00 0.00 C ATOM 1638 O SER A 107 6.302 0.544 -9.352 1.00 0.00 O ATOM 1639 CB SER A 107 9.346 1.616 -8.378 1.00 0.00 C ATOM 1640 OG SER A 107 9.591 0.763 -9.482 1.00 0.00 O ATOM 0 H SER A 107 8.463 3.185 -6.669 1.00 0.00 H new ATOM 0 HA SER A 107 7.653 2.656 -9.198 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.981 2.499 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.613 1.105 -7.453 1.00 0.00 H new ATOM 0 HG SER A 107 10.537 0.507 -9.494 1.00 0.00 H new ATOM 1646 N LEU A 108 6.977 0.057 -7.262 1.00 0.00 N ATOM 1647 CA LEU A 108 6.161 -1.148 -7.162 1.00 0.00 C ATOM 1648 C LEU A 108 4.761 -0.906 -7.716 1.00 0.00 C ATOM 1649 O LEU A 108 4.200 -1.757 -8.407 1.00 0.00 O ATOM 1650 CB LEU A 108 6.073 -1.609 -5.706 1.00 0.00 C ATOM 1651 CG LEU A 108 7.318 -2.296 -5.143 1.00 0.00 C ATOM 1652 CD1 LEU A 108 7.165 -2.539 -3.650 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.582 -3.605 -5.874 1.00 0.00 C ATOM 0 H LEU A 108 7.532 0.261 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 108 6.636 -1.929 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.848 -0.742 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.231 -2.295 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 108 8.173 -1.638 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.061 -3.029 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.026 -1.586 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.299 -3.176 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.472 -4.080 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.726 -4.269 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.738 -3.405 -6.934 1.00 0.00 H new ATOM 1665 N PHE A 109 4.203 0.260 -7.410 1.00 0.00 N ATOM 1666 CA PHE A 109 2.868 0.615 -7.879 1.00 0.00 C ATOM 1667 C PHE A 109 2.941 1.397 -9.187 1.00 0.00 C ATOM 1668 O PHE A 109 2.175 2.334 -9.405 1.00 0.00 O ATOM 1669 CB PHE A 109 2.136 1.441 -6.819 1.00 0.00 C ATOM 1670 CG PHE A 109 2.191 0.837 -5.445 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.337 0.944 -4.673 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.098 0.164 -4.925 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.391 0.388 -3.408 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.146 -0.394 -3.661 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.294 -0.280 -2.901 1.00 0.00 C ATOM 0 H PHE A 109 4.654 0.975 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 109 2.315 -0.307 -8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.570 2.440 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.093 1.556 -7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.197 1.467 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.197 0.074 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.291 0.476 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.287 -0.918 -3.268 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.333 -0.713 -1.912 1.00 0.00 H new ATOM 1685 N GLU A 110 3.870 1.003 -10.054 1.00 0.00 N ATOM 1686 CA GLU A 110 4.044 1.668 -11.340 1.00 0.00 C ATOM 1687 C GLU A 110 2.837 1.430 -12.243 1.00 0.00 C ATOM 1688 O GLU A 110 2.222 2.374 -12.736 1.00 0.00 O ATOM 1689 CB GLU A 110 5.316 1.169 -12.028 1.00 0.00 C ATOM 1690 CG GLU A 110 5.574 1.821 -13.376 1.00 0.00 C ATOM 1691 CD GLU A 110 6.550 1.033 -14.228 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.101 0.129 -14.963 1.00 0.00 O ATOM 1693 OE2 GLU A 110 7.763 1.321 -14.160 1.00 0.00 O ATOM 0 H GLU A 110 4.512 0.228 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 110 4.134 2.739 -11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.169 1.354 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.246 0.090 -12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.631 1.924 -13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.964 2.827 -13.220 1.00 0.00 H new ATOM 1700 N ASN A 111 2.505 0.160 -12.455 1.00 0.00 N ATOM 1701 CA ASN A 111 1.373 -0.203 -13.300 1.00 0.00 C ATOM 1702 C ASN A 111 0.186 0.720 -13.044 1.00 0.00 C ATOM 1703 O ASN A 111 -0.424 1.236 -13.981 1.00 0.00 O ATOM 1704 CB ASN A 111 0.967 -1.657 -13.047 1.00 0.00 C ATOM 1705 CG ASN A 111 2.139 -2.612 -13.158 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.932 -2.751 -12.226 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.255 -3.275 -14.302 1.00 0.00 N ATOM 0 H ASN A 111 3.004 -0.634 -12.053 1.00 0.00 H new ATOM 0 HA ASN A 111 1.678 -0.094 -14.341 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.526 -1.741 -12.054 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.197 -1.946 -13.762 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.025 -3.931 -14.436 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.575 -3.129 -15.048 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.136 0.923 -11.771 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.250 1.784 -11.393 1.00 0.00 C ATOM 1716 C GLN A 112 -1.350 2.987 -12.325 1.00 0.00 C ATOM 1717 O GLN A 112 -0.336 3.531 -12.762 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.089 2.257 -9.947 1.00 0.00 C ATOM 1719 CG GLN A 112 -1.626 1.271 -8.921 1.00 0.00 C ATOM 1720 CD GLN A 112 -1.175 -0.151 -9.187 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -1.379 -0.686 -10.277 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -0.557 -0.773 -8.189 1.00 0.00 N ATOM 0 H GLN A 112 0.359 0.503 -10.984 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.169 1.204 -11.478 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.033 2.437 -9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.603 3.211 -9.826 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -1.297 1.572 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.715 1.309 -8.922 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.409 -0.292 -7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -0.231 -1.732 -8.310 1.00 0.00 H new ATOM 1731 N ASN A 113 -2.578 3.397 -12.625 1.00 0.00 N ATOM 1732 CA ASN A 113 -2.809 4.535 -13.507 1.00 0.00 C ATOM 1733 C ASN A 113 -2.122 5.787 -12.971 1.00 0.00 C ATOM 1734 O ASN A 113 -1.514 5.763 -11.901 1.00 0.00 O ATOM 1735 CB ASN A 113 -4.310 4.790 -13.662 1.00 0.00 C ATOM 1736 CG ASN A 113 -5.089 4.437 -12.409 1.00 0.00 C ATOM 1737 OD1 ASN A 113 -4.656 4.973 -11.273 1.00 0.00 O flip ATOM 1738 ND2 ASN A 113 -6.067 3.692 -12.462 1.00 0.00 N flip ATOM 0 H ASN A 113 -3.428 2.958 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.384 4.299 -14.483 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -4.474 5.840 -13.905 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -4.690 4.206 -14.500 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -6.364 3.303 -13.357 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -6.581 3.464 -11.611 1.00 0.00 H new ATOM 1745 N ILE A 114 -2.225 6.879 -13.721 1.00 0.00 N ATOM 1746 CA ILE A 114 -1.615 8.141 -13.321 1.00 0.00 C ATOM 1747 C ILE A 114 -2.525 8.915 -12.373 1.00 0.00 C ATOM 1748 O ILE A 114 -3.634 9.305 -12.740 1.00 0.00 O ATOM 1749 CB ILE A 114 -1.293 9.023 -14.541 1.00 0.00 C ATOM 1750 CG1 ILE A 114 -0.329 8.298 -15.482 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -0.705 10.353 -14.093 1.00 0.00 C ATOM 1752 CD1 ILE A 114 -0.468 8.717 -16.929 1.00 0.00 C ATOM 0 H ILE A 114 -2.725 6.915 -14.609 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.686 7.894 -12.808 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.218 9.221 -15.082 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.694 8.484 -15.155 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.498 7.224 -15.405 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.483 10.965 -14.967 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.423 10.873 -13.459 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.212 10.175 -13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.246 8.163 -17.538 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.480 8.506 -17.273 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.270 9.785 -17.019 1.00 0.00 H new ATOM 1764 N THR A 115 -2.048 9.136 -11.152 1.00 0.00 N ATOM 1765 CA THR A 115 -2.818 9.864 -10.151 1.00 0.00 C ATOM 1766 C THR A 115 -3.483 11.095 -10.757 1.00 0.00 C ATOM 1767 O THR A 115 -2.846 11.868 -11.473 1.00 0.00 O ATOM 1768 CB THR A 115 -1.931 10.303 -8.971 1.00 0.00 C ATOM 1769 OG1 THR A 115 -1.363 9.154 -8.331 1.00 0.00 O ATOM 1770 CG2 THR A 115 -2.735 11.107 -7.960 1.00 0.00 C ATOM 0 H THR A 115 -1.132 8.821 -10.833 1.00 0.00 H new ATOM 0 HA THR A 115 -3.586 9.182 -9.785 1.00 0.00 H new ATOM 0 HB THR A 115 -1.132 10.934 -9.361 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.074 9.393 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.088 11.406 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.142 11.996 -8.443 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.552 10.496 -7.576 1.00 0.00 H new ATOM 1778 N VAL A 116 -4.768 11.271 -10.467 1.00 0.00 N ATOM 1779 CA VAL A 116 -5.519 12.409 -10.982 1.00 0.00 C ATOM 1780 C VAL A 116 -4.942 13.725 -10.471 1.00 0.00 C ATOM 1781 O VAL A 116 -4.316 13.770 -9.412 1.00 0.00 O ATOM 1782 CB VAL A 116 -7.006 12.326 -10.588 1.00 0.00 C ATOM 1783 CG1 VAL A 116 -7.695 11.198 -11.341 1.00 0.00 C ATOM 1784 CG2 VAL A 116 -7.148 12.140 -9.085 1.00 0.00 C ATOM 0 H VAL A 116 -5.311 10.640 -9.878 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.437 12.377 -12.068 1.00 0.00 H new ATOM 0 HB VAL A 116 -7.491 13.263 -10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.745 11.154 -11.050 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.623 11.379 -12.413 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.212 10.251 -11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -8.205 12.083 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -6.650 11.219 -8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -6.691 12.985 -8.569 1.00 0.00 H new ATOM 1794 N ILE A 117 -5.158 14.794 -11.230 1.00 0.00 N ATOM 1795 CA ILE A 117 -4.661 16.111 -10.853 1.00 0.00 C ATOM 1796 C ILE A 117 -5.568 16.764 -9.816 1.00 0.00 C ATOM 1797 O ILE A 117 -6.784 16.571 -9.808 1.00 0.00 O ATOM 1798 CB ILE A 117 -4.546 17.040 -12.076 1.00 0.00 C ATOM 1799 CG1 ILE A 117 -5.914 17.223 -12.736 1.00 0.00 C ATOM 1800 CG2 ILE A 117 -3.541 16.482 -13.072 1.00 0.00 C ATOM 1801 CD1 ILE A 117 -5.944 18.328 -13.769 1.00 0.00 C ATOM 0 H ILE A 117 -5.674 14.774 -12.110 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.670 15.964 -10.424 1.00 0.00 H new ATOM 0 HB ILE A 117 -4.193 18.015 -11.741 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.208 16.286 -13.209 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.654 17.437 -11.965 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.471 17.150 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -2.564 16.400 -12.596 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -3.867 15.496 -13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -6.945 18.401 -14.195 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.681 19.275 -13.297 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.228 18.106 -14.560 1.00 0.00 H new ATOM 1813 N PRO A 118 -4.965 17.559 -8.919 1.00 0.00 N ATOM 1814 CA PRO A 118 -5.700 18.260 -7.862 1.00 0.00 C ATOM 1815 C PRO A 118 -6.577 19.380 -8.410 1.00 0.00 C ATOM 1816 O PRO A 118 -6.170 20.118 -9.306 1.00 0.00 O ATOM 1817 CB PRO A 118 -4.589 18.834 -6.979 1.00 0.00 C ATOM 1818 CG PRO A 118 -3.415 18.969 -7.887 1.00 0.00 C ATOM 1819 CD PRO A 118 -3.519 17.835 -8.869 1.00 0.00 C ATOM 0 HA PRO A 118 -6.385 17.597 -7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.876 19.797 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.368 18.173 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.426 19.931 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.481 18.917 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -3.129 18.114 -9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -2.955 16.963 -8.538 1.00 0.00 H new ATOM 1827 N SER A 119 -7.784 19.500 -7.865 1.00 0.00 N ATOM 1828 CA SER A 119 -8.720 20.529 -8.303 1.00 0.00 C ATOM 1829 C SER A 119 -9.377 21.210 -7.106 1.00 0.00 C ATOM 1830 O SER A 119 -9.662 20.572 -6.093 1.00 0.00 O ATOM 1831 CB SER A 119 -9.793 19.920 -9.208 1.00 0.00 C ATOM 1832 OG SER A 119 -10.374 20.906 -10.043 1.00 0.00 O ATOM 0 H SER A 119 -8.136 18.898 -7.120 1.00 0.00 H new ATOM 0 HA SER A 119 -8.162 21.278 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 119 -9.353 19.133 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 119 -10.566 19.454 -8.598 1.00 0.00 H new ATOM 0 HG SER A 119 -11.055 20.492 -10.613 1.00 0.00 H new ATOM 1838 N GLY A 120 -9.614 22.513 -7.230 1.00 0.00 N ATOM 1839 CA GLY A 120 -10.234 23.261 -6.153 1.00 0.00 C ATOM 1840 C GLY A 120 -9.798 24.712 -6.128 1.00 0.00 C ATOM 1841 O GLY A 120 -8.619 25.017 -6.311 1.00 0.00 O ATOM 0 H GLY A 120 -9.387 23.063 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.318 23.212 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -9.985 22.794 -5.200 1.00 0.00 H new ATOM 1845 N PHE A 121 -10.750 25.611 -5.902 1.00 0.00 N ATOM 1846 CA PHE A 121 -10.458 27.039 -5.856 1.00 0.00 C ATOM 1847 C PHE A 121 -11.182 27.705 -4.689 1.00 0.00 C ATOM 1848 O PHE A 121 -12.083 27.120 -4.088 1.00 0.00 O ATOM 1849 CB PHE A 121 -10.866 27.706 -7.171 1.00 0.00 C ATOM 1850 CG PHE A 121 -12.352 27.743 -7.389 1.00 0.00 C ATOM 1851 CD1 PHE A 121 -13.017 26.643 -7.907 1.00 0.00 C ATOM 1852 CD2 PHE A 121 -13.083 28.877 -7.077 1.00 0.00 C ATOM 1853 CE1 PHE A 121 -14.383 26.675 -8.109 1.00 0.00 C ATOM 1854 CE2 PHE A 121 -14.450 28.915 -7.277 1.00 0.00 C ATOM 1855 CZ PHE A 121 -15.101 27.812 -7.793 1.00 0.00 C ATOM 0 H PHE A 121 -11.731 25.376 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.384 27.161 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -10.479 28.725 -7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.398 27.174 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -12.461 25.751 -8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -12.579 29.742 -6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -14.890 25.811 -8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -15.008 29.806 -7.030 1.00 0.00 H new ATOM 0 HZ PHE A 121 -16.169 27.838 -7.949 1.00 0.00 H new ATOM 1865 N SER A 122 -10.779 28.932 -4.374 1.00 0.00 N ATOM 1866 CA SER A 122 -11.385 29.677 -3.276 1.00 0.00 C ATOM 1867 C SER A 122 -12.176 30.871 -3.802 1.00 0.00 C ATOM 1868 O SER A 122 -11.602 31.861 -4.252 1.00 0.00 O ATOM 1869 CB SER A 122 -10.308 30.154 -2.300 1.00 0.00 C ATOM 1870 OG SER A 122 -10.855 31.018 -1.320 1.00 0.00 O ATOM 0 H SER A 122 -10.036 29.431 -4.863 1.00 0.00 H new ATOM 0 HA SER A 122 -12.071 29.011 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.846 29.294 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.520 30.672 -2.847 1.00 0.00 H new ATOM 0 HG SER A 122 -10.147 31.308 -0.708 1.00 0.00 H new ATOM 1876 N GLY A 123 -13.501 30.769 -3.740 1.00 0.00 N ATOM 1877 CA GLY A 123 -14.350 31.846 -4.212 1.00 0.00 C ATOM 1878 C GLY A 123 -14.310 33.058 -3.303 1.00 0.00 C ATOM 1879 O GLY A 123 -13.838 32.993 -2.168 1.00 0.00 O ATOM 0 H GLY A 123 -14.000 29.960 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.038 32.138 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -15.377 31.488 -4.289 1.00 0.00 H new ATOM 1883 N PRO A 124 -14.812 34.196 -3.805 1.00 0.00 N ATOM 1884 CA PRO A 124 -14.841 35.450 -3.046 1.00 0.00 C ATOM 1885 C PRO A 124 -15.835 35.406 -1.891 1.00 0.00 C ATOM 1886 O PRO A 124 -15.716 36.163 -0.928 1.00 0.00 O ATOM 1887 CB PRO A 124 -15.277 36.484 -4.087 1.00 0.00 C ATOM 1888 CG PRO A 124 -16.038 35.702 -5.102 1.00 0.00 C ATOM 1889 CD PRO A 124 -15.390 34.346 -5.150 1.00 0.00 C ATOM 0 HA PRO A 124 -13.878 35.669 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -15.897 37.260 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -14.417 36.982 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -17.089 35.623 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -16.000 36.187 -6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -16.115 33.561 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -14.625 34.294 -5.924 1.00 0.00 H new ATOM 1897 N SER A 125 -16.815 34.514 -1.993 1.00 0.00 N ATOM 1898 CA SER A 125 -17.832 34.373 -0.957 1.00 0.00 C ATOM 1899 C SER A 125 -18.285 35.740 -0.451 1.00 0.00 C ATOM 1900 O SER A 125 -18.462 35.941 0.750 1.00 0.00 O ATOM 1901 CB SER A 125 -17.293 33.539 0.206 1.00 0.00 C ATOM 1902 OG SER A 125 -18.324 33.219 1.124 1.00 0.00 O ATOM 0 H SER A 125 -16.926 33.878 -2.783 1.00 0.00 H new ATOM 0 HA SER A 125 -18.691 33.863 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.845 32.622 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.504 34.090 0.718 1.00 0.00 H new ATOM 0 HG SER A 125 -18.770 34.042 1.414 1.00 0.00 H new ATOM 1908 N SER A 126 -18.470 36.675 -1.377 1.00 0.00 N ATOM 1909 CA SER A 126 -18.898 38.024 -1.026 1.00 0.00 C ATOM 1910 C SER A 126 -20.280 38.005 -0.381 1.00 0.00 C ATOM 1911 O SER A 126 -20.505 38.636 0.651 1.00 0.00 O ATOM 1912 CB SER A 126 -18.915 38.916 -2.269 1.00 0.00 C ATOM 1913 OG SER A 126 -19.377 40.219 -1.956 1.00 0.00 O ATOM 0 H SER A 126 -18.330 36.523 -2.376 1.00 0.00 H new ATOM 0 HA SER A 126 -18.186 38.429 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.912 38.974 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 126 -19.557 38.472 -3.030 1.00 0.00 H new ATOM 0 HG SER A 126 -19.377 40.770 -2.767 1.00 0.00 H new ATOM 1919 N GLY A 127 -21.204 37.274 -0.998 1.00 0.00 N ATOM 1920 CA GLY A 127 -22.553 37.186 -0.471 1.00 0.00 C ATOM 1921 C GLY A 127 -23.367 38.434 -0.747 1.00 0.00 C ATOM 1922 O GLY A 127 -23.252 39.035 -1.815 1.00 0.00 O ATOM 0 H GLY A 127 -21.042 36.742 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -23.055 36.324 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -22.509 37.016 0.605 1.00 0.00 H new TER 1926 GLY A 127