USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 30 CYS SG : rot 22:sc= -0.306 USER MOD Set 1.2: A 79 CYS SG : rot 97:sc= 1.41 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 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 SER OG : rot 40:sc= 0.904 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.12 K(o=-1.1,f=0.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.924 K(o=-0.92,f=-4.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -70:sc= -2.61 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -41:sc= 0.372 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 71:sc= 1.25 USER MOD Single : A 83 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.65) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 25:sc= 1.1 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.680 37.253 7.604 1.00 0.00 N ATOM 2 CA GLY A 1 -13.450 37.003 6.876 1.00 0.00 C ATOM 3 C GLY A 1 -12.627 35.890 7.494 1.00 0.00 C ATOM 4 O GLY A 1 -12.233 35.973 8.658 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.207 38.022 7.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.261 36.391 7.610 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.455 37.526 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.688 36.745 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.856 37.917 6.847 1.00 0.00 H new ATOM 8 N SER A 2 -12.367 34.845 6.715 1.00 0.00 N ATOM 9 CA SER A 2 -11.589 33.709 7.194 1.00 0.00 C ATOM 10 C SER A 2 -10.315 33.536 6.373 1.00 0.00 C ATOM 11 O SER A 2 -10.168 34.127 5.303 1.00 0.00 O ATOM 12 CB SER A 2 -12.426 32.429 7.133 1.00 0.00 C ATOM 13 OG SER A 2 -11.893 31.430 7.984 1.00 0.00 O ATOM 0 H SER A 2 -12.684 34.762 5.749 1.00 0.00 H new ATOM 0 HA SER A 2 -11.309 33.904 8.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.453 32.648 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.457 32.059 6.108 1.00 0.00 H new ATOM 0 HG SER A 2 -12.447 30.623 7.928 1.00 0.00 H new ATOM 19 N SER A 3 -9.396 32.722 6.882 1.00 0.00 N ATOM 20 CA SER A 3 -8.132 32.474 6.198 1.00 0.00 C ATOM 21 C SER A 3 -8.347 32.328 4.695 1.00 0.00 C ATOM 22 O SER A 3 -8.803 31.289 4.220 1.00 0.00 O ATOM 23 CB SER A 3 -7.466 31.213 6.754 1.00 0.00 C ATOM 24 OG SER A 3 -7.159 31.363 8.130 1.00 0.00 O ATOM 0 H SER A 3 -9.503 32.223 7.765 1.00 0.00 H new ATOM 0 HA SER A 3 -7.479 33.329 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.128 30.358 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.554 31.003 6.195 1.00 0.00 H new ATOM 0 HG SER A 3 -6.736 30.544 8.462 1.00 0.00 H new ATOM 30 N GLY A 4 -8.014 33.379 3.951 1.00 0.00 N ATOM 31 CA GLY A 4 -8.177 33.349 2.510 1.00 0.00 C ATOM 32 C GLY A 4 -6.854 33.243 1.778 1.00 0.00 C ATOM 33 O GLY A 4 -6.616 33.958 0.805 1.00 0.00 O ATOM 0 H GLY A 4 -7.634 34.250 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.808 32.504 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.696 34.252 2.187 1.00 0.00 H new ATOM 37 N SER A 5 -5.989 32.350 2.249 1.00 0.00 N ATOM 38 CA SER A 5 -4.680 32.158 1.636 1.00 0.00 C ATOM 39 C SER A 5 -4.615 30.822 0.902 1.00 0.00 C ATOM 40 O SER A 5 -5.098 29.804 1.397 1.00 0.00 O ATOM 41 CB SER A 5 -3.582 32.222 2.699 1.00 0.00 C ATOM 42 OG SER A 5 -3.449 33.534 3.217 1.00 0.00 O ATOM 0 H SER A 5 -6.171 31.749 3.052 1.00 0.00 H new ATOM 0 HA SER A 5 -4.523 32.958 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.815 31.530 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.634 31.900 2.267 1.00 0.00 H new ATOM 0 HG SER A 5 -2.742 33.548 3.896 1.00 0.00 H new ATOM 48 N SER A 6 -4.014 30.835 -0.284 1.00 0.00 N ATOM 49 CA SER A 6 -3.889 29.626 -1.090 1.00 0.00 C ATOM 50 C SER A 6 -2.759 28.742 -0.572 1.00 0.00 C ATOM 51 O SER A 6 -1.669 29.224 -0.266 1.00 0.00 O ATOM 52 CB SER A 6 -3.637 29.989 -2.555 1.00 0.00 C ATOM 53 OG SER A 6 -3.196 28.861 -3.291 1.00 0.00 O ATOM 0 H SER A 6 -3.606 31.669 -0.708 1.00 0.00 H new ATOM 0 HA SER A 6 -4.824 29.071 -1.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.552 30.381 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.890 30.780 -2.614 1.00 0.00 H new ATOM 0 HG SER A 6 -3.044 29.118 -4.224 1.00 0.00 H new ATOM 59 N GLY A 7 -3.029 27.443 -0.475 1.00 0.00 N ATOM 60 CA GLY A 7 -2.026 26.512 0.007 1.00 0.00 C ATOM 61 C GLY A 7 -2.496 25.072 -0.052 1.00 0.00 C ATOM 62 O GLY A 7 -3.033 24.531 0.915 1.00 0.00 O ATOM 0 H GLY A 7 -3.924 27.020 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.119 26.620 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.765 26.764 1.035 1.00 0.00 H new ATOM 66 N PRO A 8 -2.296 24.427 -1.211 1.00 0.00 N ATOM 67 CA PRO A 8 -2.697 23.033 -1.421 1.00 0.00 C ATOM 68 C PRO A 8 -1.845 22.057 -0.618 1.00 0.00 C ATOM 69 O PRO A 8 -0.926 22.461 0.094 1.00 0.00 O ATOM 70 CB PRO A 8 -2.480 22.824 -2.922 1.00 0.00 C ATOM 71 CG PRO A 8 -1.437 23.819 -3.296 1.00 0.00 C ATOM 72 CD PRO A 8 -1.662 25.010 -2.406 1.00 0.00 C ATOM 0 HA PRO A 8 -3.721 22.850 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.152 21.807 -3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.401 22.987 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.437 23.409 -3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.521 24.096 -4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.726 25.511 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.305 25.751 -2.881 1.00 0.00 H new ATOM 80 N SER A 9 -2.154 20.770 -0.739 1.00 0.00 N ATOM 81 CA SER A 9 -1.418 19.736 -0.021 1.00 0.00 C ATOM 82 C SER A 9 -0.681 18.820 -0.993 1.00 0.00 C ATOM 83 O SER A 9 -1.235 17.832 -1.476 1.00 0.00 O ATOM 84 CB SER A 9 -2.369 18.914 0.850 1.00 0.00 C ATOM 85 OG SER A 9 -3.363 18.281 0.063 1.00 0.00 O ATOM 0 H SER A 9 -2.909 20.418 -1.328 1.00 0.00 H new ATOM 0 HA SER A 9 -0.683 20.226 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.804 18.162 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.843 19.562 1.588 1.00 0.00 H new ATOM 0 HG SER A 9 -2.962 17.952 -0.768 1.00 0.00 H new ATOM 91 N LYS A 10 0.573 19.155 -1.277 1.00 0.00 N ATOM 92 CA LYS A 10 1.389 18.364 -2.191 1.00 0.00 C ATOM 93 C LYS A 10 1.982 17.152 -1.480 1.00 0.00 C ATOM 94 O LYS A 10 2.463 17.255 -0.352 1.00 0.00 O ATOM 95 CB LYS A 10 2.511 19.223 -2.779 1.00 0.00 C ATOM 96 CG LYS A 10 2.030 20.235 -3.803 1.00 0.00 C ATOM 97 CD LYS A 10 1.542 21.512 -3.139 1.00 0.00 C ATOM 98 CE LYS A 10 2.703 22.398 -2.715 1.00 0.00 C ATOM 99 NZ LYS A 10 3.228 23.207 -3.850 1.00 0.00 N ATOM 0 H LYS A 10 1.047 19.970 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 10 0.748 18.012 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.016 19.750 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.250 18.571 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.841 20.469 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.224 19.801 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.898 22.059 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.937 21.262 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.379 23.063 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.503 21.779 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.018 23.797 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.561 22.573 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.472 23.817 -4.220 1.00 0.00 H new ATOM 113 N PHE A 11 1.944 16.003 -2.148 1.00 0.00 N ATOM 114 CA PHE A 11 2.478 14.771 -1.579 1.00 0.00 C ATOM 115 C PHE A 11 4.004 14.793 -1.568 1.00 0.00 C ATOM 116 O PHE A 11 4.636 15.167 -2.556 1.00 0.00 O ATOM 117 CB PHE A 11 1.980 13.561 -2.373 1.00 0.00 C ATOM 118 CG PHE A 11 0.576 13.155 -2.028 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.315 12.415 -0.887 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.483 13.513 -2.847 1.00 0.00 C ATOM 121 CE1 PHE A 11 -0.977 12.040 -0.567 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.777 13.141 -2.532 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.024 12.403 -1.391 1.00 0.00 C ATOM 0 H PHE A 11 1.549 15.900 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 11 2.126 14.693 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.033 13.788 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.648 12.719 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.130 12.127 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.296 14.089 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.167 11.464 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.594 13.427 -3.178 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.034 12.110 -1.144 1.00 0.00 H new ATOM 133 N ILE A 12 4.587 14.391 -0.444 1.00 0.00 N ATOM 134 CA ILE A 12 6.037 14.365 -0.304 1.00 0.00 C ATOM 135 C ILE A 12 6.589 12.966 -0.561 1.00 0.00 C ATOM 136 O ILE A 12 7.446 12.776 -1.423 1.00 0.00 O ATOM 137 CB ILE A 12 6.476 14.828 1.098 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.463 15.820 1.671 1.00 0.00 C ATOM 139 CG2 ILE A 12 7.863 15.452 1.040 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.284 17.060 0.823 1.00 0.00 C ATOM 0 H ILE A 12 4.077 14.079 0.383 1.00 0.00 H new ATOM 0 HA ILE A 12 6.438 15.054 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 12 6.517 13.959 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.500 15.321 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.782 16.116 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.159 15.774 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.577 14.717 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.847 16.312 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.551 17.718 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.237 17.582 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.935 16.775 -0.169 1.00 0.00 H new ATOM 152 N GLU A 13 6.089 11.991 0.192 1.00 0.00 N ATOM 153 CA GLU A 13 6.532 10.610 0.044 1.00 0.00 C ATOM 154 C GLU A 13 5.489 9.781 -0.700 1.00 0.00 C ATOM 155 O GLU A 13 5.122 8.690 -0.266 1.00 0.00 O ATOM 156 CB GLU A 13 6.808 9.990 1.416 1.00 0.00 C ATOM 157 CG GLU A 13 7.888 8.922 1.394 1.00 0.00 C ATOM 158 CD GLU A 13 9.145 9.377 0.677 1.00 0.00 C ATOM 159 OE1 GLU A 13 9.943 10.117 1.289 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.329 8.992 -0.496 1.00 0.00 O ATOM 0 H GLU A 13 5.378 12.132 0.910 1.00 0.00 H new ATOM 0 HA GLU A 13 7.453 10.611 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.102 10.778 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.886 9.555 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.139 8.643 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.500 8.028 0.906 1.00 0.00 H new ATOM 167 N GLY A 14 5.016 10.308 -1.825 1.00 0.00 N ATOM 168 CA GLY A 14 4.020 9.605 -2.612 1.00 0.00 C ATOM 169 C GLY A 14 4.195 8.101 -2.559 1.00 0.00 C ATOM 170 O GLY A 14 5.299 7.589 -2.754 1.00 0.00 O ATOM 0 H GLY A 14 5.305 11.209 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.025 9.865 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.079 9.938 -3.648 1.00 0.00 H new ATOM 174 N LEU A 15 3.105 7.389 -2.294 1.00 0.00 N ATOM 175 CA LEU A 15 3.144 5.932 -2.214 1.00 0.00 C ATOM 176 C LEU A 15 4.149 5.359 -3.207 1.00 0.00 C ATOM 177 O LEU A 15 4.274 5.846 -4.331 1.00 0.00 O ATOM 178 CB LEU A 15 1.755 5.351 -2.483 1.00 0.00 C ATOM 179 CG LEU A 15 0.629 5.857 -1.581 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.728 5.502 -2.170 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.770 5.282 -0.179 1.00 0.00 C ATOM 0 H LEU A 15 2.184 7.796 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 15 3.459 5.655 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.488 5.565 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.812 4.267 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 15 0.701 6.943 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.517 5.870 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.829 5.962 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.811 4.419 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.040 5.653 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.724 4.194 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.727 5.587 0.245 1.00 0.00 H new ATOM 193 N ARG A 16 4.863 4.320 -2.785 1.00 0.00 N ATOM 194 CA ARG A 16 5.857 3.679 -3.638 1.00 0.00 C ATOM 195 C ARG A 16 5.539 2.198 -3.825 1.00 0.00 C ATOM 196 O ARG A 16 4.862 1.590 -2.998 1.00 0.00 O ATOM 197 CB ARG A 16 7.255 3.841 -3.038 1.00 0.00 C ATOM 198 CG ARG A 16 7.832 5.237 -3.206 1.00 0.00 C ATOM 199 CD ARG A 16 9.152 5.386 -2.467 1.00 0.00 C ATOM 200 NE ARG A 16 10.260 4.773 -3.195 1.00 0.00 N ATOM 201 CZ ARG A 16 10.572 3.485 -3.110 1.00 0.00 C ATOM 202 NH1 ARG A 16 9.863 2.678 -2.333 1.00 0.00 N ATOM 203 NH2 ARG A 16 11.595 3.002 -3.804 1.00 0.00 N ATOM 0 H ARG A 16 4.772 3.904 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 16 5.830 4.164 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.216 3.599 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.927 3.121 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.981 5.445 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.120 5.974 -2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.362 6.444 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.069 4.929 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 16 10.825 5.367 -3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.076 3.046 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.105 1.689 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.142 3.620 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.834 2.013 -3.738 1.00 0.00 H new ATOM 217 N ASN A 17 6.034 1.625 -4.917 1.00 0.00 N ATOM 218 CA ASN A 17 5.803 0.216 -5.213 1.00 0.00 C ATOM 219 C ASN A 17 5.846 -0.621 -3.938 1.00 0.00 C ATOM 220 O ASN A 17 6.893 -0.749 -3.304 1.00 0.00 O ATOM 221 CB ASN A 17 6.845 -0.295 -6.209 1.00 0.00 C ATOM 222 CG ASN A 17 6.899 0.543 -7.471 1.00 0.00 C ATOM 223 OD1 ASN A 17 6.263 0.217 -8.474 1.00 0.00 O ATOM 224 ND2 ASN A 17 7.661 1.630 -7.428 1.00 0.00 N ATOM 0 H ASN A 17 6.598 2.115 -5.612 1.00 0.00 H new ATOM 0 HA ASN A 17 4.811 0.121 -5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.827 -0.296 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.616 -1.328 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.736 2.233 -8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.171 1.862 -6.576 1.00 0.00 H new ATOM 231 N GLU A 18 4.702 -1.190 -3.571 1.00 0.00 N ATOM 232 CA GLU A 18 4.611 -2.015 -2.372 1.00 0.00 C ATOM 233 C GLU A 18 4.255 -3.456 -2.729 1.00 0.00 C ATOM 234 O GLU A 18 3.372 -3.702 -3.549 1.00 0.00 O ATOM 235 CB GLU A 18 3.566 -1.444 -1.412 1.00 0.00 C ATOM 236 CG GLU A 18 3.578 -2.097 -0.040 1.00 0.00 C ATOM 237 CD GLU A 18 4.954 -2.089 0.598 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.408 -1.004 1.017 1.00 0.00 O ATOM 239 OE2 GLU A 18 5.577 -3.169 0.677 1.00 0.00 O ATOM 0 H GLU A 18 3.827 -1.095 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 18 5.585 -2.009 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.737 -0.374 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.576 -1.563 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.876 -1.577 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.229 -3.126 -0.128 1.00 0.00 H new ATOM 246 N GLU A 19 4.952 -4.402 -2.108 1.00 0.00 N ATOM 247 CA GLU A 19 4.711 -5.818 -2.361 1.00 0.00 C ATOM 248 C GLU A 19 4.479 -6.573 -1.055 1.00 0.00 C ATOM 249 O GLU A 19 5.243 -6.433 -0.101 1.00 0.00 O ATOM 250 CB GLU A 19 5.892 -6.432 -3.115 1.00 0.00 C ATOM 251 CG GLU A 19 5.796 -7.941 -3.272 1.00 0.00 C ATOM 252 CD GLU A 19 6.961 -8.522 -4.049 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.120 -8.281 -3.650 1.00 0.00 O ATOM 254 OE2 GLU A 19 6.714 -9.217 -5.056 1.00 0.00 O ATOM 0 H GLU A 19 5.687 -4.214 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 19 3.814 -5.904 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.958 -5.976 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.815 -6.188 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.755 -8.403 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.865 -8.191 -3.780 1.00 0.00 H new ATOM 261 N ALA A 20 3.418 -7.373 -1.021 1.00 0.00 N ATOM 262 CA ALA A 20 3.086 -8.150 0.166 1.00 0.00 C ATOM 263 C ALA A 20 2.515 -9.513 -0.213 1.00 0.00 C ATOM 264 O ALA A 20 1.954 -9.684 -1.296 1.00 0.00 O ATOM 265 CB ALA A 20 2.100 -7.387 1.039 1.00 0.00 C ATOM 0 H ALA A 20 2.774 -7.500 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 20 4.003 -8.313 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.861 -7.980 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.544 -6.440 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.188 -7.194 0.474 1.00 0.00 H new ATOM 271 N THR A 21 2.662 -10.481 0.686 1.00 0.00 N ATOM 272 CA THR A 21 2.162 -11.829 0.445 1.00 0.00 C ATOM 273 C THR A 21 0.694 -11.950 0.838 1.00 0.00 C ATOM 274 O THR A 21 0.302 -11.557 1.936 1.00 0.00 O ATOM 275 CB THR A 21 2.978 -12.878 1.224 1.00 0.00 C ATOM 276 OG1 THR A 21 4.351 -12.830 0.820 1.00 0.00 O ATOM 277 CG2 THR A 21 2.425 -14.276 0.992 1.00 0.00 C ATOM 0 H THR A 21 3.123 -10.357 1.587 1.00 0.00 H new ATOM 0 HA THR A 21 2.266 -12.018 -0.623 1.00 0.00 H new ATOM 0 HB THR A 21 2.904 -12.647 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.863 -13.499 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.018 -14.999 1.552 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.389 -14.318 1.328 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.472 -14.514 -0.071 1.00 0.00 H new ATOM 285 N GLU A 22 -0.112 -12.497 -0.066 1.00 0.00 N ATOM 286 CA GLU A 22 -1.538 -12.669 0.188 1.00 0.00 C ATOM 287 C GLU A 22 -1.780 -13.194 1.600 1.00 0.00 C ATOM 288 O GLU A 22 -0.973 -13.950 2.140 1.00 0.00 O ATOM 289 CB GLU A 22 -2.149 -13.629 -0.836 1.00 0.00 C ATOM 290 CG GLU A 22 -3.646 -13.826 -0.668 1.00 0.00 C ATOM 291 CD GLU A 22 -4.111 -15.191 -1.135 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.793 -15.566 -2.283 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.793 -15.885 -0.352 1.00 0.00 O ATOM 0 H GLU A 22 0.197 -12.828 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.017 -11.695 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.951 -13.251 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.653 -14.596 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.910 -13.696 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.175 -13.055 -1.228 1.00 0.00 H new ATOM 300 N GLY A 23 -2.897 -12.786 2.194 1.00 0.00 N ATOM 301 CA GLY A 23 -3.226 -13.223 3.538 1.00 0.00 C ATOM 302 C GLY A 23 -2.735 -12.257 4.598 1.00 0.00 C ATOM 303 O GLY A 23 -3.402 -12.045 5.611 1.00 0.00 O ATOM 0 H GLY A 23 -3.580 -12.160 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.307 -13.336 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.788 -14.205 3.715 1.00 0.00 H new ATOM 307 N ASP A 24 -1.566 -11.671 4.366 1.00 0.00 N ATOM 308 CA ASP A 24 -0.985 -10.723 5.310 1.00 0.00 C ATOM 309 C ASP A 24 -1.796 -9.431 5.350 1.00 0.00 C ATOM 310 O ASP A 24 -2.846 -9.324 4.715 1.00 0.00 O ATOM 311 CB ASP A 24 0.465 -10.417 4.931 1.00 0.00 C ATOM 312 CG ASP A 24 1.281 -9.928 6.112 1.00 0.00 C ATOM 313 OD1 ASP A 24 1.445 -10.700 7.080 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.755 -8.774 6.068 1.00 0.00 O ATOM 0 H ASP A 24 -1.002 -11.836 3.532 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.006 -11.176 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.927 -11.315 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.481 -9.662 4.145 1.00 0.00 H new ATOM 319 N THR A 25 -1.303 -8.452 6.102 1.00 0.00 N ATOM 320 CA THR A 25 -1.983 -7.169 6.228 1.00 0.00 C ATOM 321 C THR A 25 -1.134 -6.039 5.656 1.00 0.00 C ATOM 322 O THR A 25 -0.172 -5.595 6.282 1.00 0.00 O ATOM 323 CB THR A 25 -2.316 -6.851 7.698 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.047 -7.937 8.279 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.130 -5.571 7.804 1.00 0.00 C ATOM 0 H THR A 25 -0.435 -8.523 6.633 1.00 0.00 H new ATOM 0 HA THR A 25 -2.911 -7.246 5.662 1.00 0.00 H new ATOM 0 HB THR A 25 -1.380 -6.712 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.254 -7.729 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.353 -5.367 8.851 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.560 -4.741 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.062 -5.686 7.250 1.00 0.00 H new ATOM 333 N ALA A 26 -1.497 -5.577 4.464 1.00 0.00 N ATOM 334 CA ALA A 26 -0.770 -4.497 3.809 1.00 0.00 C ATOM 335 C ALA A 26 -0.991 -3.171 4.530 1.00 0.00 C ATOM 336 O ALA A 26 -2.127 -2.787 4.811 1.00 0.00 O ATOM 337 CB ALA A 26 -1.191 -4.385 2.352 1.00 0.00 C ATOM 0 H ALA A 26 -2.291 -5.934 3.932 1.00 0.00 H new ATOM 0 HA ALA A 26 0.294 -4.730 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.640 -3.574 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.975 -5.322 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.260 -4.179 2.297 1.00 0.00 H new ATOM 343 N THR A 27 0.102 -2.475 4.827 1.00 0.00 N ATOM 344 CA THR A 27 0.027 -1.193 5.516 1.00 0.00 C ATOM 345 C THR A 27 0.765 -0.108 4.740 1.00 0.00 C ATOM 346 O THR A 27 1.986 0.021 4.840 1.00 0.00 O ATOM 347 CB THR A 27 0.617 -1.283 6.936 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.041 -2.318 7.676 1.00 0.00 O ATOM 349 CG2 THR A 27 0.471 0.042 7.669 1.00 0.00 C ATOM 0 H THR A 27 1.049 -2.778 4.601 1.00 0.00 H new ATOM 0 HA THR A 27 -1.029 -0.933 5.585 1.00 0.00 H new ATOM 0 HB THR A 27 1.678 -1.517 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.341 -2.370 8.577 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.895 -0.047 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.998 0.822 7.119 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.585 0.302 7.744 1.00 0.00 H new ATOM 357 N LEU A 28 0.017 0.672 3.967 1.00 0.00 N ATOM 358 CA LEU A 28 0.600 1.748 3.174 1.00 0.00 C ATOM 359 C LEU A 28 0.675 3.041 3.981 1.00 0.00 C ATOM 360 O LEU A 28 0.140 3.126 5.086 1.00 0.00 O ATOM 361 CB LEU A 28 -0.221 1.974 1.903 1.00 0.00 C ATOM 362 CG LEU A 28 0.064 1.023 0.741 1.00 0.00 C ATOM 363 CD1 LEU A 28 -1.184 0.821 -0.104 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.208 1.551 -0.112 1.00 0.00 C ATOM 0 H LEU A 28 -0.994 0.579 3.873 1.00 0.00 H new ATOM 0 HA LEU A 28 1.613 1.454 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.278 1.896 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.050 2.995 1.561 1.00 0.00 H new ATOM 0 HG LEU A 28 0.359 0.057 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.961 0.141 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.976 0.397 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.511 1.780 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.397 0.861 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.942 2.529 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.106 1.642 0.499 1.00 0.00 H new ATOM 376 N TRP A 29 1.340 4.044 3.420 1.00 0.00 N ATOM 377 CA TRP A 29 1.483 5.333 4.087 1.00 0.00 C ATOM 378 C TRP A 29 2.132 6.356 3.161 1.00 0.00 C ATOM 379 O TRP A 29 2.845 5.994 2.224 1.00 0.00 O ATOM 380 CB TRP A 29 2.314 5.181 5.362 1.00 0.00 C ATOM 381 CG TRP A 29 3.789 5.105 5.104 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.543 3.972 4.988 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.687 6.207 4.933 1.00 0.00 C ATOM 384 NE1 TRP A 29 5.856 4.304 4.755 1.00 0.00 N ATOM 385 CE2 TRP A 29 5.971 5.668 4.716 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.532 7.596 4.940 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.089 6.471 4.509 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.643 8.391 4.735 1.00 0.00 C ATOM 389 CH2 TRP A 29 6.908 7.827 4.521 1.00 0.00 C ATOM 0 H TRP A 29 1.789 3.990 2.506 1.00 0.00 H new ATOM 0 HA TRP A 29 0.488 5.690 4.351 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.111 6.024 6.022 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.998 4.280 5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.163 2.964 5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.621 3.641 4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.561 8.040 5.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.065 6.039 4.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.535 9.466 4.740 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.757 8.476 4.362 1.00 0.00 H new ATOM 400 N CYS A 30 1.882 7.633 3.429 1.00 0.00 N ATOM 401 CA CYS A 30 2.442 8.708 2.618 1.00 0.00 C ATOM 402 C CYS A 30 2.475 10.018 3.400 1.00 0.00 C ATOM 403 O CYS A 30 1.586 10.292 4.206 1.00 0.00 O ATOM 404 CB CYS A 30 1.628 8.885 1.336 1.00 0.00 C ATOM 405 SG CYS A 30 -0.053 9.493 1.607 1.00 0.00 S ATOM 0 H CYS A 30 1.295 7.949 4.201 1.00 0.00 H new ATOM 0 HA CYS A 30 3.465 8.437 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.152 9.579 0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.577 7.929 0.815 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.117 10.093 2.759 1.00 0.00 H new ATOM 411 N GLU A 31 3.505 10.821 3.156 1.00 0.00 N ATOM 412 CA GLU A 31 3.654 12.100 3.839 1.00 0.00 C ATOM 413 C GLU A 31 2.941 13.212 3.074 1.00 0.00 C ATOM 414 O GLU A 31 2.781 13.138 1.855 1.00 0.00 O ATOM 415 CB GLU A 31 5.135 12.448 4.002 1.00 0.00 C ATOM 416 CG GLU A 31 5.420 13.363 5.181 1.00 0.00 C ATOM 417 CD GLU A 31 5.334 12.643 6.512 1.00 0.00 C ATOM 418 OE1 GLU A 31 5.792 11.484 6.590 1.00 0.00 O ATOM 419 OE2 GLU A 31 4.808 13.238 7.476 1.00 0.00 O ATOM 0 H GLU A 31 4.248 10.609 2.491 1.00 0.00 H new ATOM 0 HA GLU A 31 3.199 12.010 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.705 11.527 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.490 12.925 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.415 13.794 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.711 14.191 5.173 1.00 0.00 H new ATOM 426 N LEU A 32 2.513 14.240 3.799 1.00 0.00 N ATOM 427 CA LEU A 32 1.816 15.368 3.190 1.00 0.00 C ATOM 428 C LEU A 32 2.497 16.685 3.546 1.00 0.00 C ATOM 429 O LEU A 32 3.056 16.833 4.633 1.00 0.00 O ATOM 430 CB LEU A 32 0.356 15.396 3.645 1.00 0.00 C ATOM 431 CG LEU A 32 -0.612 16.167 2.747 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.425 15.766 1.292 1.00 0.00 C ATOM 433 CD2 LEU A 32 -2.050 15.930 3.187 1.00 0.00 C ATOM 0 H LEU A 32 2.636 14.316 4.809 1.00 0.00 H new ATOM 0 HA LEU A 32 1.851 15.244 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.003 14.368 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.316 15.829 4.645 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.395 17.231 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.122 16.325 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.596 15.987 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.615 14.698 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.726 16.486 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.279 14.866 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.176 16.268 4.216 1.00 0.00 H new ATOM 445 N SER A 33 2.445 17.640 2.623 1.00 0.00 N ATOM 446 CA SER A 33 3.058 18.946 2.838 1.00 0.00 C ATOM 447 C SER A 33 2.317 19.722 3.923 1.00 0.00 C ATOM 448 O SER A 33 2.915 20.505 4.661 1.00 0.00 O ATOM 449 CB SER A 33 3.068 19.749 1.536 1.00 0.00 C ATOM 450 OG SER A 33 1.892 20.530 1.410 1.00 0.00 O ATOM 0 H SER A 33 1.985 17.534 1.719 1.00 0.00 H new ATOM 0 HA SER A 33 4.085 18.788 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.944 20.398 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.150 19.070 0.687 1.00 0.00 H new ATOM 0 HG SER A 33 1.923 21.035 0.571 1.00 0.00 H new ATOM 456 N LYS A 34 1.010 19.499 4.013 1.00 0.00 N ATOM 457 CA LYS A 34 0.185 20.175 5.006 1.00 0.00 C ATOM 458 C LYS A 34 -0.869 19.228 5.573 1.00 0.00 C ATOM 459 O LYS A 34 -1.705 18.704 4.839 1.00 0.00 O ATOM 460 CB LYS A 34 -0.494 21.399 4.388 1.00 0.00 C ATOM 461 CG LYS A 34 -1.771 21.811 5.101 1.00 0.00 C ATOM 462 CD LYS A 34 -1.484 22.349 6.492 1.00 0.00 C ATOM 463 CE LYS A 34 -2.518 23.383 6.914 1.00 0.00 C ATOM 464 NZ LYS A 34 -1.982 24.314 7.946 1.00 0.00 N ATOM 0 H LYS A 34 0.499 18.855 3.409 1.00 0.00 H new ATOM 0 HA LYS A 34 0.833 20.499 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.204 22.236 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.723 21.188 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.287 22.572 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.441 20.955 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.477 21.527 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.491 22.797 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.839 23.953 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.400 22.876 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.716 25.003 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.700 23.773 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.156 24.817 7.564 1.00 0.00 H new ATOM 478 N ALA A 35 -0.823 19.016 6.884 1.00 0.00 N ATOM 479 CA ALA A 35 -1.775 18.136 7.550 1.00 0.00 C ATOM 480 C ALA A 35 -3.181 18.326 6.991 1.00 0.00 C ATOM 481 O ALA A 35 -3.785 19.386 7.151 1.00 0.00 O ATOM 482 CB ALA A 35 -1.764 18.384 9.051 1.00 0.00 C ATOM 0 H ALA A 35 -0.136 19.442 7.506 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.473 17.106 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.480 17.720 9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.766 18.191 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.038 19.420 9.251 1.00 0.00 H new ATOM 488 N ALA A 36 -3.696 17.292 6.333 1.00 0.00 N ATOM 489 CA ALA A 36 -5.032 17.345 5.752 1.00 0.00 C ATOM 490 C ALA A 36 -5.583 15.944 5.514 1.00 0.00 C ATOM 491 O ALA A 36 -4.840 14.985 5.304 1.00 0.00 O ATOM 492 CB ALA A 36 -5.010 18.133 4.450 1.00 0.00 C ATOM 0 H ALA A 36 -3.208 16.408 6.189 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.689 17.850 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.014 18.165 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.666 19.149 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.334 17.651 3.744 1.00 0.00 H new ATOM 498 N PRO A 37 -6.918 15.818 5.548 1.00 0.00 N ATOM 499 CA PRO A 37 -7.599 14.537 5.338 1.00 0.00 C ATOM 500 C PRO A 37 -7.492 14.053 3.896 1.00 0.00 C ATOM 501 O PRO A 37 -8.108 14.619 2.993 1.00 0.00 O ATOM 502 CB PRO A 37 -9.056 14.847 5.692 1.00 0.00 C ATOM 503 CG PRO A 37 -9.200 16.311 5.454 1.00 0.00 C ATOM 504 CD PRO A 37 -7.866 16.918 5.793 1.00 0.00 C ATOM 0 HA PRO A 37 -7.161 13.740 5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.745 14.275 5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.275 14.591 6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.469 16.513 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.990 16.732 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.648 17.783 5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.830 17.256 6.829 1.00 0.00 H new ATOM 512 N VAL A 38 -6.706 13.001 3.687 1.00 0.00 N ATOM 513 CA VAL A 38 -6.520 12.440 2.354 1.00 0.00 C ATOM 514 C VAL A 38 -7.594 11.405 2.039 1.00 0.00 C ATOM 515 O VAL A 38 -8.329 10.970 2.924 1.00 0.00 O ATOM 516 CB VAL A 38 -5.134 11.785 2.210 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.034 12.784 2.536 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.030 10.556 3.101 1.00 0.00 C ATOM 0 H VAL A 38 -6.188 12.521 4.423 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.598 13.267 1.648 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.008 11.467 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.062 12.303 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.097 13.631 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.154 13.135 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.044 10.106 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.177 10.847 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.794 9.833 2.815 1.00 0.00 H new ATOM 528 N GLU A 39 -7.678 11.015 0.771 1.00 0.00 N ATOM 529 CA GLU A 39 -8.663 10.030 0.339 1.00 0.00 C ATOM 530 C GLU A 39 -7.999 8.903 -0.446 1.00 0.00 C ATOM 531 O GLU A 39 -7.229 9.149 -1.375 1.00 0.00 O ATOM 532 CB GLU A 39 -9.741 10.697 -0.519 1.00 0.00 C ATOM 533 CG GLU A 39 -10.945 9.808 -0.784 1.00 0.00 C ATOM 534 CD GLU A 39 -11.991 10.485 -1.647 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.607 11.246 -2.559 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.195 10.254 -1.409 1.00 0.00 O ATOM 0 H GLU A 39 -7.077 11.366 0.026 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.127 9.605 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.075 11.609 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.303 10.994 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.615 8.891 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.395 9.519 0.166 1.00 0.00 H new ATOM 543 N TRP A 40 -8.301 7.667 -0.065 1.00 0.00 N ATOM 544 CA TRP A 40 -7.732 6.502 -0.732 1.00 0.00 C ATOM 545 C TRP A 40 -8.707 5.932 -1.757 1.00 0.00 C ATOM 546 O TRP A 40 -9.906 5.834 -1.498 1.00 0.00 O ATOM 547 CB TRP A 40 -7.367 5.428 0.295 1.00 0.00 C ATOM 548 CG TRP A 40 -6.419 5.914 1.350 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.730 6.665 2.447 1.00 0.00 C ATOM 550 CD2 TRP A 40 -5.008 5.683 1.406 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.596 6.915 3.182 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.527 6.323 2.565 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.103 4.996 0.591 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -3.182 6.296 2.926 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.769 4.971 0.951 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.319 5.616 2.110 1.00 0.00 C ATOM 0 H TRP A 40 -8.936 7.446 0.702 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.829 6.818 -1.254 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.278 5.068 0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.920 4.578 -0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.721 7.012 2.700 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.557 7.454 4.047 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.440 4.494 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.832 6.794 3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.061 4.445 0.328 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.270 5.576 2.365 1.00 0.00 H new ATOM 567 N ARG A 41 -8.184 5.557 -2.920 1.00 0.00 N ATOM 568 CA ARG A 41 -9.009 4.997 -3.983 1.00 0.00 C ATOM 569 C ARG A 41 -8.419 3.688 -4.498 1.00 0.00 C ATOM 570 O ARG A 41 -7.229 3.609 -4.804 1.00 0.00 O ATOM 571 CB ARG A 41 -9.143 5.996 -5.134 1.00 0.00 C ATOM 572 CG ARG A 41 -9.865 7.277 -4.748 1.00 0.00 C ATOM 573 CD ARG A 41 -9.682 8.359 -5.801 1.00 0.00 C ATOM 574 NE ARG A 41 -10.605 9.474 -5.606 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.851 9.485 -6.065 1.00 0.00 C ATOM 576 NH1 ARG A 41 -12.321 8.446 -6.742 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.630 10.537 -5.847 1.00 0.00 N ATOM 0 H ARG A 41 -7.193 5.631 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.997 4.792 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.149 6.247 -5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.678 5.521 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.927 7.072 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.488 7.633 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.657 8.727 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.835 7.931 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.274 10.289 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.725 7.636 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.278 8.457 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.272 11.338 -5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.587 10.545 -6.200 1.00 0.00 H new ATOM 591 N LYS A 42 -9.258 2.662 -4.591 1.00 0.00 N ATOM 592 CA LYS A 42 -8.821 1.356 -5.069 1.00 0.00 C ATOM 593 C LYS A 42 -9.621 0.930 -6.296 1.00 0.00 C ATOM 594 O LYS A 42 -10.590 0.180 -6.187 1.00 0.00 O ATOM 595 CB LYS A 42 -8.967 0.309 -3.963 1.00 0.00 C ATOM 596 CG LYS A 42 -8.613 -1.099 -4.407 1.00 0.00 C ATOM 597 CD LYS A 42 -9.082 -2.136 -3.400 1.00 0.00 C ATOM 598 CE LYS A 42 -8.846 -3.551 -3.906 1.00 0.00 C ATOM 599 NZ LYS A 42 -9.879 -3.966 -4.895 1.00 0.00 N ATOM 0 H LYS A 42 -10.246 2.710 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.771 1.433 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.329 0.588 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.994 0.318 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.068 -1.301 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.534 -1.180 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.555 -1.993 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.143 -1.993 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.859 -3.613 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.851 -4.243 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.683 -4.936 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.819 -3.932 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.858 -3.321 -5.710 1.00 0.00 H new ATOM 613 N GLY A 43 -9.208 1.412 -7.464 1.00 0.00 N ATOM 614 CA GLY A 43 -9.898 1.069 -8.694 1.00 0.00 C ATOM 615 C GLY A 43 -11.260 1.725 -8.798 1.00 0.00 C ATOM 616 O GLY A 43 -12.251 1.198 -8.293 1.00 0.00 O ATOM 0 H GLY A 43 -8.408 2.034 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.287 1.370 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.014 -0.013 -8.752 1.00 0.00 H new ATOM 620 N HIS A 44 -11.309 2.881 -9.453 1.00 0.00 N ATOM 621 CA HIS A 44 -12.560 3.612 -9.621 1.00 0.00 C ATOM 622 C HIS A 44 -13.448 3.458 -8.390 1.00 0.00 C ATOM 623 O HIS A 44 -14.641 3.179 -8.505 1.00 0.00 O ATOM 624 CB HIS A 44 -13.301 3.118 -10.864 1.00 0.00 C ATOM 625 CG HIS A 44 -14.141 4.171 -11.519 1.00 0.00 C ATOM 626 ND1 HIS A 44 -13.817 4.746 -12.729 1.00 0.00 N ATOM 627 CD2 HIS A 44 -15.299 4.752 -11.125 1.00 0.00 C ATOM 628 CE1 HIS A 44 -14.739 5.636 -13.052 1.00 0.00 C ATOM 629 NE2 HIS A 44 -15.649 5.659 -12.095 1.00 0.00 N ATOM 0 H HIS A 44 -10.497 3.331 -9.876 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.321 4.668 -9.746 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.574 2.744 -11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.937 2.277 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.845 4.541 -10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -14.747 6.241 -13.946 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -16.477 6.254 -12.079 1.00 0.00 H new ATOM 638 N GLU A 45 -12.858 3.642 -7.213 1.00 0.00 N ATOM 639 CA GLU A 45 -13.596 3.522 -5.962 1.00 0.00 C ATOM 640 C GLU A 45 -12.866 4.238 -4.829 1.00 0.00 C ATOM 641 O GLU A 45 -11.761 4.749 -5.011 1.00 0.00 O ATOM 642 CB GLU A 45 -13.798 2.048 -5.602 1.00 0.00 C ATOM 643 CG GLU A 45 -14.973 1.805 -4.670 1.00 0.00 C ATOM 644 CD GLU A 45 -15.529 0.399 -4.788 1.00 0.00 C ATOM 645 OE1 GLU A 45 -16.114 0.079 -5.843 1.00 0.00 O ATOM 646 OE2 GLU A 45 -15.378 -0.382 -3.825 1.00 0.00 O ATOM 0 H GLU A 45 -11.871 3.875 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.570 3.992 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.947 1.476 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.889 1.669 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.659 1.983 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.762 2.524 -4.891 1.00 0.00 H new ATOM 653 N THR A 46 -13.493 4.271 -3.657 1.00 0.00 N ATOM 654 CA THR A 46 -12.906 4.925 -2.494 1.00 0.00 C ATOM 655 C THR A 46 -12.952 4.017 -1.270 1.00 0.00 C ATOM 656 O THR A 46 -13.969 3.377 -0.998 1.00 0.00 O ATOM 657 CB THR A 46 -13.629 6.245 -2.167 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.708 7.064 -3.340 1.00 0.00 O ATOM 659 CG2 THR A 46 -12.904 7.001 -1.064 1.00 0.00 C ATOM 0 H THR A 46 -14.408 3.852 -3.488 1.00 0.00 H new ATOM 0 HA THR A 46 -11.867 5.140 -2.744 1.00 0.00 H new ATOM 0 HB THR A 46 -14.635 6.006 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.171 7.901 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.433 7.930 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.870 6.387 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.888 7.228 -1.386 1.00 0.00 H new ATOM 667 N LEU A 47 -11.847 3.966 -0.535 1.00 0.00 N ATOM 668 CA LEU A 47 -11.762 3.136 0.661 1.00 0.00 C ATOM 669 C LEU A 47 -12.317 3.873 1.876 1.00 0.00 C ATOM 670 O LEU A 47 -12.471 5.094 1.856 1.00 0.00 O ATOM 671 CB LEU A 47 -10.311 2.725 0.919 1.00 0.00 C ATOM 672 CG LEU A 47 -9.562 2.124 -0.271 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.067 2.089 0.001 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.083 0.727 -0.579 1.00 0.00 C ATOM 0 H LEU A 47 -10.997 4.490 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.363 2.242 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.762 3.601 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.299 2.001 1.734 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.737 2.756 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.551 1.658 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.704 3.103 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.872 1.481 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.539 0.315 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.939 0.085 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.145 0.779 -0.819 1.00 0.00 H new ATOM 686 N ARG A 48 -12.613 3.123 2.932 1.00 0.00 N ATOM 687 CA ARG A 48 -13.150 3.706 4.156 1.00 0.00 C ATOM 688 C ARG A 48 -12.774 2.861 5.371 1.00 0.00 C ATOM 689 O ARG A 48 -12.554 1.655 5.257 1.00 0.00 O ATOM 690 CB ARG A 48 -14.671 3.833 4.062 1.00 0.00 C ATOM 691 CG ARG A 48 -15.137 4.756 2.948 1.00 0.00 C ATOM 692 CD ARG A 48 -16.642 4.971 2.996 1.00 0.00 C ATOM 693 NE ARG A 48 -17.092 5.918 1.979 1.00 0.00 N ATOM 694 CZ ARG A 48 -17.361 5.577 0.724 1.00 0.00 C ATOM 695 NH1 ARG A 48 -17.227 4.317 0.333 1.00 0.00 N ATOM 696 NH2 ARG A 48 -17.766 6.496 -0.143 1.00 0.00 N ATOM 0 H ARG A 48 -12.490 2.111 2.965 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.716 4.699 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.101 2.844 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.056 4.202 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.628 5.716 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.859 4.332 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.149 4.017 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.925 5.337 3.983 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.206 6.895 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.917 3.607 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.434 4.058 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.871 7.466 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.972 6.232 -1.107 1.00 0.00 H new ATOM 710 N ASP A 49 -12.701 3.503 6.531 1.00 0.00 N ATOM 711 CA ASP A 49 -12.352 2.812 7.767 1.00 0.00 C ATOM 712 C ASP A 49 -13.509 1.942 8.248 1.00 0.00 C ATOM 713 O ASP A 49 -14.623 2.425 8.443 1.00 0.00 O ATOM 714 CB ASP A 49 -11.971 3.821 8.851 1.00 0.00 C ATOM 715 CG ASP A 49 -12.834 5.067 8.811 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.074 4.933 8.872 1.00 0.00 O ATOM 717 OD2 ASP A 49 -12.269 6.177 8.719 1.00 0.00 O ATOM 0 H ASP A 49 -12.879 4.501 6.642 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.496 2.168 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.063 3.350 9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.925 4.103 8.730 1.00 0.00 H new ATOM 722 N GLY A 50 -13.235 0.654 8.437 1.00 0.00 N ATOM 723 CA GLY A 50 -14.264 -0.263 8.892 1.00 0.00 C ATOM 724 C GLY A 50 -13.695 -1.425 9.683 1.00 0.00 C ATOM 725 O GLY A 50 -12.788 -1.247 10.495 1.00 0.00 O ATOM 0 H GLY A 50 -12.320 0.230 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.981 0.277 9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.811 -0.647 8.031 1.00 0.00 H new ATOM 729 N ASP A 51 -14.231 -2.617 9.447 1.00 0.00 N ATOM 730 CA ASP A 51 -13.772 -3.813 10.144 1.00 0.00 C ATOM 731 C ASP A 51 -12.446 -4.303 9.568 1.00 0.00 C ATOM 732 O ASP A 51 -11.449 -4.407 10.282 1.00 0.00 O ATOM 733 CB ASP A 51 -14.823 -4.920 10.048 1.00 0.00 C ATOM 734 CG ASP A 51 -15.881 -4.809 11.128 1.00 0.00 C ATOM 735 OD1 ASP A 51 -15.618 -5.256 12.264 1.00 0.00 O ATOM 736 OD2 ASP A 51 -16.972 -4.274 10.838 1.00 0.00 O ATOM 0 H ASP A 51 -14.984 -2.781 8.779 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.620 -3.556 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.301 -4.879 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.332 -5.890 10.123 1.00 0.00 H new ATOM 741 N ARG A 52 -12.444 -4.602 8.273 1.00 0.00 N ATOM 742 CA ARG A 52 -11.242 -5.082 7.602 1.00 0.00 C ATOM 743 C ARG A 52 -10.270 -3.936 7.341 1.00 0.00 C ATOM 744 O ARG A 52 -9.104 -3.994 7.734 1.00 0.00 O ATOM 745 CB ARG A 52 -11.607 -5.766 6.284 1.00 0.00 C ATOM 746 CG ARG A 52 -12.515 -6.973 6.454 1.00 0.00 C ATOM 747 CD ARG A 52 -11.714 -8.252 6.637 1.00 0.00 C ATOM 748 NE ARG A 52 -10.960 -8.602 5.436 1.00 0.00 N ATOM 749 CZ ARG A 52 -10.475 -9.816 5.200 1.00 0.00 C ATOM 750 NH1 ARG A 52 -10.665 -10.791 6.078 1.00 0.00 N ATOM 751 NH2 ARG A 52 -9.799 -10.056 4.084 1.00 0.00 N ATOM 0 H ARG A 52 -13.261 -4.520 7.668 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.756 -5.805 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.097 -5.042 5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.692 -6.079 5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.164 -6.823 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.161 -7.069 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.027 -8.133 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.389 -9.069 6.892 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.797 -7.874 4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.185 -10.610 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.292 -11.722 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.651 -9.308 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.427 -10.988 3.904 1.00 0.00 H new ATOM 765 N HIS A 53 -10.757 -2.893 6.676 1.00 0.00 N ATOM 766 CA HIS A 53 -9.932 -1.733 6.362 1.00 0.00 C ATOM 767 C HIS A 53 -9.792 -0.821 7.577 1.00 0.00 C ATOM 768 O HIS A 53 -10.732 -0.658 8.355 1.00 0.00 O ATOM 769 CB HIS A 53 -10.534 -0.953 5.192 1.00 0.00 C ATOM 770 CG HIS A 53 -10.638 -1.753 3.930 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.751 -2.497 3.600 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.760 -1.922 2.914 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.553 -3.090 2.436 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.352 -2.757 1.998 1.00 0.00 N ATOM 0 H HIS A 53 -11.719 -2.828 6.344 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.941 -2.089 6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.527 -0.602 5.473 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.925 -0.069 5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.777 -1.482 2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.254 -3.737 1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.933 -3.069 1.122 1.00 0.00 H new ATOM 783 N SER A 54 -8.612 -0.230 7.735 1.00 0.00 N ATOM 784 CA SER A 54 -8.347 0.662 8.858 1.00 0.00 C ATOM 785 C SER A 54 -7.640 1.930 8.390 1.00 0.00 C ATOM 786 O SER A 54 -6.410 1.995 8.361 1.00 0.00 O ATOM 787 CB SER A 54 -7.497 -0.050 9.912 1.00 0.00 C ATOM 788 OG SER A 54 -8.055 -1.307 10.254 1.00 0.00 O ATOM 0 H SER A 54 -7.824 -0.353 7.099 1.00 0.00 H new ATOM 0 HA SER A 54 -9.303 0.942 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.484 -0.189 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.421 0.572 10.804 1.00 0.00 H new ATOM 0 HG SER A 54 -7.492 -1.742 10.928 1.00 0.00 H new ATOM 794 N LEU A 55 -8.426 2.937 8.025 1.00 0.00 N ATOM 795 CA LEU A 55 -7.877 4.206 7.558 1.00 0.00 C ATOM 796 C LEU A 55 -7.652 5.164 8.723 1.00 0.00 C ATOM 797 O LEU A 55 -8.606 5.657 9.327 1.00 0.00 O ATOM 798 CB LEU A 55 -8.815 4.843 6.532 1.00 0.00 C ATOM 799 CG LEU A 55 -8.813 4.213 5.138 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.090 2.720 5.227 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.838 4.895 4.243 1.00 0.00 C ATOM 0 H LEU A 55 -9.445 2.900 8.043 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.915 4.006 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.831 4.804 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.552 5.896 6.433 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.826 4.353 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.085 2.289 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.319 2.242 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.065 2.558 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.823 4.434 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.831 4.786 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.595 5.954 4.153 1.00 0.00 H new ATOM 813 N ARG A 56 -6.387 5.425 9.033 1.00 0.00 N ATOM 814 CA ARG A 56 -6.037 6.325 10.125 1.00 0.00 C ATOM 815 C ARG A 56 -4.828 7.180 9.759 1.00 0.00 C ATOM 816 O ARG A 56 -3.812 6.666 9.291 1.00 0.00 O ATOM 817 CB ARG A 56 -5.746 5.529 11.398 1.00 0.00 C ATOM 818 CG ARG A 56 -4.577 4.567 11.260 1.00 0.00 C ATOM 819 CD ARG A 56 -4.477 3.636 12.458 1.00 0.00 C ATOM 820 NE ARG A 56 -3.101 3.219 12.714 1.00 0.00 N ATOM 821 CZ ARG A 56 -2.167 4.026 13.204 1.00 0.00 C ATOM 822 NH1 ARG A 56 -2.460 5.287 13.489 1.00 0.00 N ATOM 823 NH2 ARG A 56 -0.937 3.573 13.409 1.00 0.00 N ATOM 0 H ARG A 56 -5.586 5.026 8.543 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.886 6.985 10.304 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.540 6.224 12.212 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.637 4.967 11.677 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.694 3.979 10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.650 5.131 11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.874 4.137 13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.096 2.756 12.286 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.843 2.255 12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.404 5.639 13.332 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.741 5.905 13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.707 2.604 13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.221 4.194 13.785 1.00 0.00 H new ATOM 837 N GLN A 57 -4.945 8.486 9.975 1.00 0.00 N ATOM 838 CA GLN A 57 -3.862 9.412 9.666 1.00 0.00 C ATOM 839 C GLN A 57 -3.545 10.299 10.866 1.00 0.00 C ATOM 840 O GLN A 57 -4.404 10.545 11.713 1.00 0.00 O ATOM 841 CB GLN A 57 -4.230 10.278 8.460 1.00 0.00 C ATOM 842 CG GLN A 57 -4.942 11.569 8.833 1.00 0.00 C ATOM 843 CD GLN A 57 -5.626 12.221 7.648 1.00 0.00 C ATOM 844 OE1 GLN A 57 -6.818 12.017 7.415 1.00 0.00 O ATOM 845 NE2 GLN A 57 -4.873 13.011 6.891 1.00 0.00 N ATOM 0 H GLN A 57 -5.779 8.927 10.363 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.975 8.826 9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.323 10.520 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.868 9.701 7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.682 11.361 9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.222 12.266 9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.889 13.152 7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.278 13.477 6.079 1.00 0.00 H new ATOM 854 N ASP A 58 -2.306 10.775 10.933 1.00 0.00 N ATOM 855 CA ASP A 58 -1.876 11.635 12.029 1.00 0.00 C ATOM 856 C ASP A 58 -1.098 12.837 11.503 1.00 0.00 C ATOM 857 O ASP A 58 -0.070 12.685 10.845 1.00 0.00 O ATOM 858 CB ASP A 58 -1.014 10.846 13.016 1.00 0.00 C ATOM 859 CG ASP A 58 -1.833 10.219 14.127 1.00 0.00 C ATOM 860 OD1 ASP A 58 -2.103 10.913 15.129 1.00 0.00 O ATOM 861 OD2 ASP A 58 -2.203 9.033 13.994 1.00 0.00 O ATOM 0 H ASP A 58 -1.582 10.580 10.241 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.765 11.998 12.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.476 10.064 12.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.265 11.508 13.450 1.00 0.00 H new ATOM 866 N GLY A 59 -1.598 14.034 11.797 1.00 0.00 N ATOM 867 CA GLY A 59 -0.938 15.245 11.345 1.00 0.00 C ATOM 868 C GLY A 59 -0.714 15.258 9.846 1.00 0.00 C ATOM 869 O GLY A 59 -1.641 15.503 9.074 1.00 0.00 O ATOM 0 H GLY A 59 -2.448 14.186 12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.539 16.110 11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.021 15.344 11.853 1.00 0.00 H new ATOM 873 N SER A 60 0.522 14.994 9.432 1.00 0.00 N ATOM 874 CA SER A 60 0.867 14.982 8.015 1.00 0.00 C ATOM 875 C SER A 60 1.413 13.619 7.601 1.00 0.00 C ATOM 876 O SER A 60 2.353 13.529 6.810 1.00 0.00 O ATOM 877 CB SER A 60 1.897 16.071 7.710 1.00 0.00 C ATOM 878 OG SER A 60 1.506 17.314 8.268 1.00 0.00 O ATOM 0 H SER A 60 1.300 14.786 10.057 1.00 0.00 H new ATOM 0 HA SER A 60 -0.040 15.180 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.868 15.779 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.014 16.174 6.631 1.00 0.00 H new ATOM 0 HG SER A 60 2.182 17.993 8.060 1.00 0.00 H new ATOM 884 N ARG A 61 0.817 12.561 8.141 1.00 0.00 N ATOM 885 CA ARG A 61 1.244 11.202 7.829 1.00 0.00 C ATOM 886 C ARG A 61 0.062 10.238 7.871 1.00 0.00 C ATOM 887 O ARG A 61 -0.464 9.932 8.941 1.00 0.00 O ATOM 888 CB ARG A 61 2.324 10.746 8.812 1.00 0.00 C ATOM 889 CG ARG A 61 3.178 9.602 8.291 1.00 0.00 C ATOM 890 CD ARG A 61 3.915 8.898 9.419 1.00 0.00 C ATOM 891 NE ARG A 61 4.141 7.485 9.127 1.00 0.00 N ATOM 892 CZ ARG A 61 5.016 6.730 9.782 1.00 0.00 C ATOM 893 NH1 ARG A 61 5.744 7.250 10.760 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.165 5.452 9.458 1.00 0.00 N ATOM 0 H ARG A 61 0.037 12.618 8.796 1.00 0.00 H new ATOM 0 HA ARG A 61 1.657 11.200 6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.970 11.592 9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.849 10.439 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.547 8.886 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.898 9.984 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.872 9.391 9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.340 8.990 10.341 1.00 0.00 H new ATOM 0 HE ARG A 61 3.597 7.054 8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.633 8.232 11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.415 6.668 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.607 5.048 8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.837 4.873 9.962 1.00 0.00 H new ATOM 908 N CYS A 62 -0.349 9.764 6.701 1.00 0.00 N ATOM 909 CA CYS A 62 -1.470 8.835 6.603 1.00 0.00 C ATOM 910 C CYS A 62 -0.978 7.392 6.559 1.00 0.00 C ATOM 911 O CYS A 62 0.192 7.134 6.277 1.00 0.00 O ATOM 912 CB CYS A 62 -2.305 9.140 5.359 1.00 0.00 C ATOM 913 SG CYS A 62 -4.059 8.732 5.529 1.00 0.00 S ATOM 0 H CYS A 62 0.077 10.007 5.806 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.092 8.961 7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.211 10.200 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.894 8.587 4.514 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.203 7.440 5.560 1.00 0.00 H new ATOM 919 N GLU A 63 -1.879 6.456 6.841 1.00 0.00 N ATOM 920 CA GLU A 63 -1.535 5.039 6.835 1.00 0.00 C ATOM 921 C GLU A 63 -2.771 4.180 6.583 1.00 0.00 C ATOM 922 O GLU A 63 -3.673 4.110 7.418 1.00 0.00 O ATOM 923 CB GLU A 63 -0.888 4.644 8.164 1.00 0.00 C ATOM 924 CG GLU A 63 0.002 3.417 8.066 1.00 0.00 C ATOM 925 CD GLU A 63 0.703 3.099 9.373 1.00 0.00 C ATOM 926 OE1 GLU A 63 0.202 3.527 10.434 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.752 2.422 9.335 1.00 0.00 O ATOM 0 H GLU A 63 -2.852 6.653 7.076 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.824 4.867 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.298 5.482 8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.671 4.457 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.599 2.560 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.748 3.575 7.287 1.00 0.00 H new ATOM 934 N LEU A 64 -2.805 3.529 5.425 1.00 0.00 N ATOM 935 CA LEU A 64 -3.930 2.674 5.061 1.00 0.00 C ATOM 936 C LEU A 64 -3.626 1.212 5.372 1.00 0.00 C ATOM 937 O LEU A 64 -2.500 0.751 5.190 1.00 0.00 O ATOM 938 CB LEU A 64 -4.257 2.834 3.575 1.00 0.00 C ATOM 939 CG LEU A 64 -5.105 1.725 2.952 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.532 1.787 3.474 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.086 1.829 1.434 1.00 0.00 C ATOM 0 H LEU A 64 -2.067 3.577 4.723 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.793 2.980 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.777 3.782 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.320 2.901 3.022 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.677 0.764 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.121 0.990 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.529 1.663 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.971 2.752 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.695 1.032 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.489 2.795 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.061 1.734 1.076 1.00 0.00 H new ATOM 953 N GLN A 65 -4.638 0.489 5.840 1.00 0.00 N ATOM 954 CA GLN A 65 -4.479 -0.921 6.174 1.00 0.00 C ATOM 955 C GLN A 65 -5.568 -1.763 5.517 1.00 0.00 C ATOM 956 O GLN A 65 -6.745 -1.401 5.542 1.00 0.00 O ATOM 957 CB GLN A 65 -4.514 -1.114 7.691 1.00 0.00 C ATOM 958 CG GLN A 65 -3.863 -2.408 8.155 1.00 0.00 C ATOM 959 CD GLN A 65 -4.017 -2.637 9.645 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.843 -3.441 10.079 1.00 0.00 O ATOM 961 NE2 GLN A 65 -3.221 -1.930 10.439 1.00 0.00 N ATOM 0 H GLN A 65 -5.577 0.856 5.996 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.512 -1.251 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.011 -0.273 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.551 -1.098 8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.304 -3.246 7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.803 -2.388 7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.551 -1.275 10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.280 -2.042 11.451 1.00 0.00 H new ATOM 970 N ILE A 66 -5.168 -2.885 4.930 1.00 0.00 N ATOM 971 CA ILE A 66 -6.110 -3.778 4.267 1.00 0.00 C ATOM 972 C ILE A 66 -6.025 -5.189 4.838 1.00 0.00 C ATOM 973 O ILE A 66 -5.445 -6.085 4.224 1.00 0.00 O ATOM 974 CB ILE A 66 -5.859 -3.835 2.748 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.997 -2.440 2.134 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.824 -4.808 2.088 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.333 -2.308 0.781 1.00 0.00 C ATOM 0 H ILE A 66 -4.198 -3.198 4.900 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.107 -3.375 4.447 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.843 -4.189 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.055 -2.198 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.564 -1.707 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.634 -4.837 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.682 -5.803 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.849 -4.482 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.470 -1.294 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.268 -2.518 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.782 -3.017 0.085 1.00 0.00 H new ATOM 989 N ARG A 67 -6.609 -5.381 6.017 1.00 0.00 N ATOM 990 CA ARG A 67 -6.600 -6.683 6.671 1.00 0.00 C ATOM 991 C ARG A 67 -6.868 -7.799 5.665 1.00 0.00 C ATOM 992 O ARG A 67 -7.547 -7.593 4.660 1.00 0.00 O ATOM 993 CB ARG A 67 -7.647 -6.725 7.786 1.00 0.00 C ATOM 994 CG ARG A 67 -7.260 -7.621 8.951 1.00 0.00 C ATOM 995 CD ARG A 67 -8.485 -8.219 9.624 1.00 0.00 C ATOM 996 NE ARG A 67 -8.941 -9.434 8.953 1.00 0.00 N ATOM 997 CZ ARG A 67 -8.392 -10.628 9.143 1.00 0.00 C ATOM 998 NH1 ARG A 67 -7.374 -10.768 9.981 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.863 -11.687 8.496 1.00 0.00 N ATOM 0 H ARG A 67 -7.094 -4.651 6.538 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.612 -6.837 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.812 -5.713 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.594 -7.071 7.371 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.611 -8.422 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.688 -7.046 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.252 -8.445 10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.290 -7.484 9.630 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.724 -9.361 8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.011 -9.957 10.482 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.954 -11.687 10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.647 -11.584 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.441 -12.604 8.643 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.328 -8.982 5.943 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.520 -10.112 5.053 1.00 0.00 C ATOM 1015 C GLY A 68 -6.412 -9.724 3.591 1.00 0.00 C ATOM 1016 O GLY A 68 -7.423 -9.586 2.901 1.00 0.00 O ATOM 0 H GLY A 68 -5.761 -9.178 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.778 -10.878 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.500 -10.553 5.237 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.184 -9.546 3.118 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.947 -9.169 1.728 1.00 0.00 C ATOM 1022 C LEU A 69 -5.605 -10.162 0.775 1.00 0.00 C ATOM 1023 O LEU A 69 -6.186 -11.158 1.205 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.445 -9.095 1.448 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.785 -7.736 1.685 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.284 -7.898 1.873 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.080 -6.791 0.529 1.00 0.00 C ATOM 0 H LEU A 69 -4.337 -9.656 3.675 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.390 -8.187 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.942 -9.834 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.274 -9.384 0.411 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.201 -7.305 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.831 -6.921 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.092 -8.539 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.852 -8.350 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.603 -5.829 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.692 -7.216 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.157 -6.650 0.440 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.507 -9.884 -0.521 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.089 -10.755 -1.535 1.00 0.00 C ATOM 1041 C ALA A 70 -5.421 -10.542 -2.889 1.00 0.00 C ATOM 1042 O ALA A 70 -4.876 -9.473 -3.163 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.588 -10.514 -1.640 1.00 0.00 C ATOM 0 H ALA A 70 -5.030 -9.063 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.919 -11.788 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.010 -11.171 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.058 -10.723 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.771 -9.475 -1.915 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.467 -11.568 -3.734 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.867 -11.493 -5.060 1.00 0.00 C ATOM 1051 C VAL A 71 -5.524 -10.404 -5.900 1.00 0.00 C ATOM 1052 O VAL A 71 -4.906 -9.848 -6.809 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.980 -12.837 -5.804 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.512 -12.692 -7.244 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.184 -13.914 -5.082 1.00 0.00 C ATOM 0 H VAL A 71 -5.914 -12.460 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.814 -11.252 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.027 -13.138 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.599 -13.652 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.129 -11.953 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.472 -12.367 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.275 -14.857 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.135 -13.622 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.571 -14.036 -4.070 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.780 -10.101 -5.590 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.521 -9.076 -6.315 1.00 0.00 C ATOM 1067 C VAL A 72 -7.087 -7.679 -5.887 1.00 0.00 C ATOM 1068 O VAL A 72 -6.973 -6.773 -6.714 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.039 -9.220 -6.095 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.541 -10.532 -6.679 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.375 -9.124 -4.615 1.00 0.00 C ATOM 0 H VAL A 72 -7.306 -10.551 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.300 -9.214 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.542 -8.403 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.615 -10.616 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.335 -10.556 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.033 -11.365 -6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.451 -9.228 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.862 -9.919 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.052 -8.156 -4.231 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.847 -7.510 -4.592 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.424 -6.223 -4.054 1.00 0.00 C ATOM 1083 C ASP A 73 -5.182 -5.712 -4.779 1.00 0.00 C ATOM 1084 O ASP A 73 -4.936 -4.508 -4.837 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.142 -6.340 -2.555 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.402 -6.236 -1.719 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.297 -7.091 -1.887 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.495 -5.300 -0.898 1.00 0.00 O ATOM 0 H ASP A 73 -6.938 -8.249 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.233 -5.509 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.653 -7.293 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.446 -5.556 -2.257 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.403 -6.637 -5.330 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.188 -6.281 -6.052 1.00 0.00 C ATOM 1095 C ALA A 74 -3.516 -5.632 -7.392 1.00 0.00 C ATOM 1096 O ALA A 74 -4.192 -6.226 -8.231 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.316 -7.511 -6.257 1.00 0.00 C ATOM 0 H ALA A 74 -4.592 -7.639 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.638 -5.556 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.412 -7.230 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.044 -7.930 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.866 -8.255 -6.832 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.032 -4.409 -7.587 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.285 -3.700 -8.827 1.00 0.00 C ATOM 1105 C GLY A 75 -2.687 -2.307 -8.832 1.00 0.00 C ATOM 1106 O GLY A 75 -1.640 -2.077 -9.437 1.00 0.00 O ATOM 0 H GLY A 75 -2.469 -3.897 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.873 -4.271 -9.659 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.361 -3.631 -8.989 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.353 -1.376 -8.156 1.00 0.00 N ATOM 1111 CA GLU A 76 -2.881 0.002 -8.088 1.00 0.00 C ATOM 1112 C GLU A 76 -3.758 0.831 -7.154 1.00 0.00 C ATOM 1113 O GLU A 76 -4.983 0.838 -7.278 1.00 0.00 O ATOM 1114 CB GLU A 76 -2.867 0.629 -9.483 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.542 2.114 -9.479 1.00 0.00 C ATOM 1116 CD GLU A 76 -1.956 2.586 -10.796 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -0.976 1.968 -11.264 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.476 3.572 -11.357 1.00 0.00 O ATOM 0 H GLU A 76 -4.220 -1.551 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.865 -0.007 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.135 0.107 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.841 0.480 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.449 2.680 -9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.837 2.326 -8.675 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.122 1.528 -6.219 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.843 2.359 -5.262 1.00 0.00 C ATOM 1127 C TYR A 77 -3.523 3.835 -5.473 1.00 0.00 C ATOM 1128 O TYR A 77 -2.408 4.193 -5.851 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.490 1.948 -3.831 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.000 0.577 -3.451 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.364 -0.573 -3.902 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.119 0.431 -2.640 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -3.827 -1.828 -3.558 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.588 -0.820 -2.289 1.00 0.00 C ATOM 1135 CZ TYR A 77 -4.940 -1.946 -2.751 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.404 -3.195 -2.405 1.00 0.00 O ATOM 0 H TYR A 77 -2.109 1.534 -6.103 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.911 2.211 -5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.407 1.969 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.900 2.684 -3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.492 -0.484 -4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.631 1.311 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.321 -2.711 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.458 -0.916 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.356 -3.789 -3.183 1.00 0.00 H new ATOM 1146 N SER A 78 -4.511 4.689 -5.224 1.00 0.00 N ATOM 1147 CA SER A 78 -4.338 6.128 -5.389 1.00 0.00 C ATOM 1148 C SER A 78 -4.711 6.870 -4.110 1.00 0.00 C ATOM 1149 O SER A 78 -5.619 6.461 -3.384 1.00 0.00 O ATOM 1150 CB SER A 78 -5.190 6.635 -6.554 1.00 0.00 C ATOM 1151 OG SER A 78 -4.935 5.893 -7.734 1.00 0.00 O ATOM 0 H SER A 78 -5.439 4.409 -4.907 1.00 0.00 H new ATOM 0 HA SER A 78 -3.287 6.320 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.246 6.561 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.979 7.690 -6.731 1.00 0.00 H new ATOM 0 HG SER A 78 -5.493 6.236 -8.463 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.005 7.963 -3.840 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.261 8.763 -2.648 1.00 0.00 C ATOM 1159 C CYS A 79 -4.284 10.250 -2.986 1.00 0.00 C ATOM 1160 O CYS A 79 -3.237 10.879 -3.140 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.198 8.486 -1.584 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.781 8.693 0.114 1.00 0.00 S ATOM 0 H CYS A 79 -3.251 8.315 -4.430 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.239 8.483 -2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.831 7.467 -1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.351 9.152 -1.750 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.112 7.535 0.603 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.486 10.807 -3.102 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.645 12.220 -3.423 1.00 0.00 C ATOM 1170 C VAL A 80 -6.541 12.917 -2.405 1.00 0.00 C ATOM 1171 O VAL A 80 -7.580 12.386 -2.010 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.241 12.413 -4.830 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.547 11.646 -4.967 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.447 13.891 -5.124 1.00 0.00 C ATOM 0 H VAL A 80 -6.363 10.301 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.650 12.665 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.537 12.016 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.953 11.795 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.364 10.584 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.261 12.009 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.869 14.008 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.131 14.316 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.490 14.409 -5.072 1.00 0.00 H new ATOM 1184 N CYS A 81 -6.133 14.109 -1.983 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.898 14.879 -1.010 1.00 0.00 C ATOM 1186 C CYS A 81 -7.675 16.000 -1.693 1.00 0.00 C ATOM 1187 O CYS A 81 -8.869 16.177 -1.454 1.00 0.00 O ATOM 1188 CB CYS A 81 -5.969 15.463 0.055 1.00 0.00 C ATOM 1189 SG CYS A 81 -6.793 16.556 1.236 1.00 0.00 S ATOM 0 H CYS A 81 -5.276 14.563 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.610 14.206 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.500 14.644 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.170 16.016 -0.439 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.559 15.853 2.016 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.988 16.755 -2.545 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.629 17.851 -3.248 1.00 0.00 C ATOM 1197 C GLY A 82 -7.349 17.826 -4.738 1.00 0.00 C ATOM 1198 O GLY A 82 -8.191 17.396 -5.526 1.00 0.00 O ATOM 0 H GLY A 82 -5.999 16.627 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.705 17.805 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.283 18.797 -2.832 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.165 18.289 -5.124 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.778 18.320 -6.529 1.00 0.00 C ATOM 1204 C GLN A 83 -4.701 17.280 -6.820 1.00 0.00 C ATOM 1205 O GLN A 83 -4.800 16.526 -7.788 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.274 19.714 -6.911 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.326 20.801 -6.766 1.00 0.00 C ATOM 1208 CD GLN A 83 -6.499 21.260 -5.332 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -7.544 21.037 -4.719 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.473 21.904 -4.788 1.00 0.00 N ATOM 0 H GLN A 83 -5.457 18.648 -4.483 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.658 18.083 -7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.416 19.965 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.923 19.694 -7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.049 21.654 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.280 20.431 -7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.626 22.067 -5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.532 22.236 -3.825 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.674 17.247 -5.978 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.579 16.299 -6.147 1.00 0.00 C ATOM 1221 C GLU A 84 -3.046 14.873 -5.871 1.00 0.00 C ATOM 1222 O GLU A 84 -3.558 14.574 -4.792 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.417 16.657 -5.216 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.829 18.033 -5.478 1.00 0.00 C ATOM 1225 CD GLU A 84 0.279 18.006 -6.513 1.00 0.00 C ATOM 1226 OE1 GLU A 84 1.214 17.192 -6.360 1.00 0.00 O ATOM 1227 OE2 GLU A 84 0.212 18.799 -7.475 1.00 0.00 O ATOM 0 H GLU A 84 -3.577 17.865 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.238 16.357 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.762 16.609 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.632 15.909 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.619 18.704 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.440 18.442 -4.545 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.865 13.997 -6.853 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.269 12.602 -6.718 1.00 0.00 C ATOM 1236 C ARG A 85 -2.102 11.667 -7.021 1.00 0.00 C ATOM 1237 O ARG A 85 -1.572 11.656 -8.132 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.439 12.295 -7.653 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.859 10.834 -7.645 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.259 10.653 -8.210 1.00 0.00 C ATOM 1241 NE ARG A 85 -6.264 10.654 -9.670 1.00 0.00 N ATOM 1242 CZ ARG A 85 -5.900 9.610 -10.406 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -5.504 8.488 -9.822 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.932 9.687 -11.731 1.00 0.00 N ATOM 0 H ARG A 85 -2.441 14.228 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.585 12.439 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.292 12.911 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.165 12.580 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.151 10.248 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.825 10.450 -6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.678 9.715 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.904 11.453 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.563 11.502 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.478 8.424 -8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.225 7.688 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.236 10.548 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.652 8.885 -12.295 1.00 0.00 H new ATOM 1258 N THR A 86 -1.706 10.881 -6.024 1.00 0.00 N ATOM 1259 CA THR A 86 -0.602 9.943 -6.183 1.00 0.00 C ATOM 1260 C THR A 86 -1.108 8.556 -6.562 1.00 0.00 C ATOM 1261 O THR A 86 -2.314 8.310 -6.582 1.00 0.00 O ATOM 1262 CB THR A 86 0.235 9.837 -4.894 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.415 9.064 -5.138 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.574 9.198 -3.775 1.00 0.00 C ATOM 0 H THR A 86 -2.134 10.876 -5.098 1.00 0.00 H new ATOM 0 HA THR A 86 0.027 10.329 -6.986 1.00 0.00 H new ATOM 0 HB THR A 86 0.518 10.844 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.942 9.003 -4.314 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.037 9.134 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.456 9.805 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.884 8.197 -4.076 1.00 0.00 H new ATOM 1272 N SER A 87 -0.180 7.653 -6.861 1.00 0.00 N ATOM 1273 CA SER A 87 -0.534 6.291 -7.243 1.00 0.00 C ATOM 1274 C SER A 87 0.638 5.342 -7.014 1.00 0.00 C ATOM 1275 O SER A 87 1.799 5.749 -7.054 1.00 0.00 O ATOM 1276 CB SER A 87 -0.963 6.245 -8.710 1.00 0.00 C ATOM 1277 OG SER A 87 -0.076 6.991 -9.525 1.00 0.00 O ATOM 0 H SER A 87 0.823 7.840 -6.846 1.00 0.00 H new ATOM 0 HA SER A 87 -1.368 5.969 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.992 5.210 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.973 6.642 -8.809 1.00 0.00 H new ATOM 0 HG SER A 87 -0.371 6.944 -10.458 1.00 0.00 H new ATOM 1283 N ALA A 88 0.325 4.072 -6.774 1.00 0.00 N ATOM 1284 CA ALA A 88 1.351 3.064 -6.541 1.00 0.00 C ATOM 1285 C ALA A 88 0.809 1.661 -6.793 1.00 0.00 C ATOM 1286 O ALA A 88 -0.269 1.305 -6.315 1.00 0.00 O ATOM 1287 CB ALA A 88 1.890 3.176 -5.122 1.00 0.00 C ATOM 0 H ALA A 88 -0.631 3.718 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 88 2.166 3.243 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.656 2.417 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.324 4.165 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.077 3.027 -4.411 1.00 0.00 H new ATOM 1293 N THR A 89 1.562 0.866 -7.547 1.00 0.00 N ATOM 1294 CA THR A 89 1.156 -0.497 -7.864 1.00 0.00 C ATOM 1295 C THR A 89 1.290 -1.407 -6.649 1.00 0.00 C ATOM 1296 O THR A 89 2.166 -1.209 -5.806 1.00 0.00 O ATOM 1297 CB THR A 89 1.992 -1.077 -9.021 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.955 -0.191 -10.145 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.470 -2.446 -9.431 1.00 0.00 C ATOM 0 H THR A 89 2.457 1.143 -7.950 1.00 0.00 H new ATOM 0 HA THR A 89 0.110 -0.453 -8.168 1.00 0.00 H new ATOM 0 HB THR A 89 3.021 -1.185 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.490 -0.566 -10.875 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.075 -2.836 -10.249 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.527 -3.126 -8.581 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.434 -2.358 -9.757 1.00 0.00 H new ATOM 1307 N LEU A 90 0.417 -2.405 -6.564 1.00 0.00 N ATOM 1308 CA LEU A 90 0.439 -3.348 -5.451 1.00 0.00 C ATOM 1309 C LEU A 90 0.645 -4.775 -5.949 1.00 0.00 C ATOM 1310 O LEU A 90 0.047 -5.190 -6.942 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.864 -3.257 -4.655 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.779 -3.652 -3.180 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.526 -5.145 -3.041 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.312 -2.857 -2.477 1.00 0.00 C ATOM 0 H LEU A 90 -0.315 -2.582 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 90 1.274 -3.086 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.232 -2.233 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.607 -3.892 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.733 -3.420 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.469 -5.407 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.341 -5.697 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.414 -5.402 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.358 -3.151 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.272 -3.057 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.088 -1.792 -2.546 1.00 0.00 H new ATOM 1326 N THR A 91 1.495 -5.523 -5.252 1.00 0.00 N ATOM 1327 CA THR A 91 1.779 -6.903 -5.622 1.00 0.00 C ATOM 1328 C THR A 91 1.370 -7.866 -4.513 1.00 0.00 C ATOM 1329 O THR A 91 1.939 -7.849 -3.422 1.00 0.00 O ATOM 1330 CB THR A 91 3.274 -7.104 -5.935 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.658 -6.280 -7.041 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.568 -8.562 -6.256 1.00 0.00 C ATOM 0 H THR A 91 1.999 -5.195 -4.428 1.00 0.00 H new ATOM 0 HA THR A 91 1.195 -7.116 -6.518 1.00 0.00 H new ATOM 0 HB THR A 91 3.849 -6.819 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.610 -6.412 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.630 -8.680 -6.474 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.302 -9.184 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.984 -8.869 -7.123 1.00 0.00 H new ATOM 1340 N VAL A 92 0.379 -8.705 -4.800 1.00 0.00 N ATOM 1341 CA VAL A 92 -0.105 -9.676 -3.827 1.00 0.00 C ATOM 1342 C VAL A 92 0.162 -11.103 -4.294 1.00 0.00 C ATOM 1343 O VAL A 92 -0.577 -11.646 -5.116 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.614 -9.507 -3.568 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -2.087 -10.489 -2.507 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.926 -8.075 -3.158 1.00 0.00 C ATOM 0 H VAL A 92 -0.104 -8.731 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 92 0.438 -9.492 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.150 -9.722 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.155 -10.355 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.898 -11.508 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.547 -10.309 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.996 -7.973 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.381 -7.830 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.625 -7.395 -3.955 1.00 0.00 H new ATOM 1356 N ARG A 93 1.223 -11.704 -3.766 1.00 0.00 N ATOM 1357 CA ARG A 93 1.588 -13.068 -4.130 1.00 0.00 C ATOM 1358 C ARG A 93 0.595 -14.070 -3.548 1.00 0.00 C ATOM 1359 O ARG A 93 0.564 -14.298 -2.339 1.00 0.00 O ATOM 1360 CB ARG A 93 3.000 -13.388 -3.638 1.00 0.00 C ATOM 1361 CG ARG A 93 4.089 -12.621 -4.369 1.00 0.00 C ATOM 1362 CD ARG A 93 4.351 -13.204 -5.749 1.00 0.00 C ATOM 1363 NE ARG A 93 4.898 -14.556 -5.677 1.00 0.00 N ATOM 1364 CZ ARG A 93 4.902 -15.403 -6.700 1.00 0.00 C ATOM 1365 NH1 ARG A 93 4.390 -15.039 -7.868 1.00 0.00 N ATOM 1366 NH2 ARG A 93 5.418 -16.617 -6.556 1.00 0.00 N ATOM 0 H ARG A 93 1.845 -11.268 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 93 1.562 -13.147 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.063 -13.165 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.182 -14.457 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.798 -11.575 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.008 -12.644 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.422 -13.219 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.046 -12.560 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 93 5.299 -14.867 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.992 -14.107 -7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.394 -15.691 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.812 -16.901 -5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.421 -17.267 -7.342 1.00 0.00 H new ATOM 1380 N ALA A 94 -0.215 -14.665 -4.418 1.00 0.00 N ATOM 1381 CA ALA A 94 -1.207 -15.644 -3.991 1.00 0.00 C ATOM 1382 C ALA A 94 -0.553 -16.797 -3.237 1.00 0.00 C ATOM 1383 O ALA A 94 0.376 -17.432 -3.738 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.982 -16.168 -5.191 1.00 0.00 C ATOM 0 H ALA A 94 -0.204 -14.486 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.901 -15.148 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.719 -16.898 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.490 -15.340 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.293 -16.642 -5.890 1.00 0.00 H new ATOM 1390 N LEU A 95 -1.042 -17.062 -2.031 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.503 -18.139 -1.207 1.00 0.00 C ATOM 1392 C LEU A 95 -0.674 -19.489 -1.896 1.00 0.00 C ATOM 1393 O LEU A 95 -1.613 -19.708 -2.663 1.00 0.00 O ATOM 1394 CB LEU A 95 -1.195 -18.159 0.157 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.837 -17.016 1.108 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.853 -16.921 2.235 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.566 -17.207 1.666 1.00 0.00 C ATOM 0 H LEU A 95 -1.810 -16.547 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 95 0.562 -17.956 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.273 -18.146 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.957 -19.102 0.649 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.859 -16.081 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.582 -16.102 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.843 -16.737 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.864 -17.856 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.804 -16.385 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.616 -18.150 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.284 -17.224 0.846 1.00 0.00 H new ATOM 1409 N PRO A 96 0.252 -20.418 -1.617 1.00 0.00 N ATOM 1410 CA PRO A 96 0.224 -21.764 -2.198 1.00 0.00 C ATOM 1411 C PRO A 96 -0.925 -22.606 -1.654 1.00 0.00 C ATOM 1412 O PRO A 96 -1.560 -22.241 -0.665 1.00 0.00 O ATOM 1413 CB PRO A 96 1.570 -22.360 -1.776 1.00 0.00 C ATOM 1414 CG PRO A 96 1.943 -21.617 -0.540 1.00 0.00 C ATOM 1415 CD PRO A 96 1.398 -20.226 -0.713 1.00 0.00 C ATOM 0 HA PRO A 96 0.072 -21.739 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.487 -23.430 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.321 -22.233 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.521 -22.094 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.025 -21.599 -0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.091 -19.794 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.141 -19.554 -1.143 1.00 0.00 H new ATOM 1423 N ALA A 97 -1.186 -23.734 -2.306 1.00 0.00 N ATOM 1424 CA ALA A 97 -2.257 -24.629 -1.886 1.00 0.00 C ATOM 1425 C ALA A 97 -1.698 -25.956 -1.383 1.00 0.00 C ATOM 1426 O ALA A 97 -1.611 -26.928 -2.134 1.00 0.00 O ATOM 1427 CB ALA A 97 -3.229 -24.864 -3.033 1.00 0.00 C ATOM 0 H ALA A 97 -0.670 -24.050 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.792 -24.155 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.024 -25.534 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.662 -23.913 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.699 -25.313 -3.873 1.00 0.00 H new ATOM 1433 N ARG A 98 -1.320 -25.989 -0.110 1.00 0.00 N ATOM 1434 CA ARG A 98 -0.768 -27.196 0.492 1.00 0.00 C ATOM 1435 C ARG A 98 -1.612 -27.646 1.681 1.00 0.00 C ATOM 1436 O ARG A 98 -1.310 -27.319 2.829 1.00 0.00 O ATOM 1437 CB ARG A 98 0.675 -26.954 0.940 1.00 0.00 C ATOM 1438 CG ARG A 98 1.691 -27.090 -0.182 1.00 0.00 C ATOM 1439 CD ARG A 98 1.851 -25.786 -0.949 1.00 0.00 C ATOM 1440 NE ARG A 98 3.136 -25.712 -1.639 1.00 0.00 N ATOM 1441 CZ ARG A 98 3.426 -26.412 -2.730 1.00 0.00 C ATOM 1442 NH1 ARG A 98 2.526 -27.235 -3.253 1.00 0.00 N ATOM 1443 NH2 ARG A 98 4.617 -26.290 -3.302 1.00 0.00 N ATOM 0 H ARG A 98 -1.386 -25.193 0.525 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.781 -27.985 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.751 -25.955 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.924 -27.660 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.654 -27.391 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.377 -27.879 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.044 -25.691 -1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.761 -24.946 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 98 3.850 -25.089 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.609 -27.331 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.751 -27.771 -4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.312 -25.658 -2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.838 -26.828 -4.140 1.00 0.00 H new ATOM 1457 N PHE A 99 -2.672 -28.396 1.398 1.00 0.00 N ATOM 1458 CA PHE A 99 -3.561 -28.890 2.443 1.00 0.00 C ATOM 1459 C PHE A 99 -2.870 -29.959 3.284 1.00 0.00 C ATOM 1460 O PHE A 99 -2.685 -31.092 2.837 1.00 0.00 O ATOM 1461 CB PHE A 99 -4.841 -29.457 1.827 1.00 0.00 C ATOM 1462 CG PHE A 99 -5.883 -28.413 1.543 1.00 0.00 C ATOM 1463 CD1 PHE A 99 -5.585 -27.316 0.750 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -7.160 -28.529 2.067 1.00 0.00 C ATOM 1465 CE1 PHE A 99 -6.542 -26.354 0.488 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -8.121 -27.570 1.808 1.00 0.00 C ATOM 1467 CZ PHE A 99 -7.812 -26.481 1.016 1.00 0.00 C ATOM 0 H PHE A 99 -2.936 -28.675 0.453 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.819 -28.053 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.591 -29.971 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.260 -30.203 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.594 -27.212 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.408 -29.379 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.297 -25.503 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.112 -27.672 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.561 -25.731 0.810 1.00 0.00 H new ATOM 1477 N ILE A 100 -2.492 -29.592 4.504 1.00 0.00 N ATOM 1478 CA ILE A 100 -1.823 -30.519 5.407 1.00 0.00 C ATOM 1479 C ILE A 100 -2.596 -30.669 6.713 1.00 0.00 C ATOM 1480 O ILE A 100 -3.241 -29.728 7.175 1.00 0.00 O ATOM 1481 CB ILE A 100 -0.387 -30.060 5.724 1.00 0.00 C ATOM 1482 CG1 ILE A 100 0.430 -29.942 4.435 1.00 0.00 C ATOM 1483 CG2 ILE A 100 0.277 -31.027 6.692 1.00 0.00 C ATOM 1484 CD1 ILE A 100 1.688 -29.118 4.591 1.00 0.00 C ATOM 0 H ILE A 100 -2.638 -28.659 4.889 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.784 -31.482 4.898 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.431 -29.078 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.700 -30.941 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.193 -29.496 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.291 -30.689 6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.296 -31.065 7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.313 -32.021 6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.217 -29.077 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.425 -28.107 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.331 -29.574 5.344 1.00 0.00 H new ATOM 1496 N GLU A 101 -2.524 -31.858 7.304 1.00 0.00 N ATOM 1497 CA GLU A 101 -3.217 -32.130 8.558 1.00 0.00 C ATOM 1498 C GLU A 101 -2.349 -31.749 9.753 1.00 0.00 C ATOM 1499 O GLU A 101 -1.205 -32.190 9.868 1.00 0.00 O ATOM 1500 CB GLU A 101 -3.602 -33.608 8.643 1.00 0.00 C ATOM 1501 CG GLU A 101 -2.422 -34.531 8.895 1.00 0.00 C ATOM 1502 CD GLU A 101 -2.694 -35.958 8.460 1.00 0.00 C ATOM 1503 OE1 GLU A 101 -2.926 -36.175 7.252 1.00 0.00 O ATOM 1504 OE2 GLU A 101 -2.675 -36.857 9.327 1.00 0.00 O ATOM 0 H GLU A 101 -1.993 -32.647 6.935 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.123 -31.524 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.332 -33.739 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.090 -33.902 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.550 -34.153 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.177 -34.519 9.957 1.00 0.00 H new ATOM 1511 N SER A 102 -2.900 -30.928 10.641 1.00 0.00 N ATOM 1512 CA SER A 102 -2.175 -30.484 11.826 1.00 0.00 C ATOM 1513 C SER A 102 -3.134 -29.918 12.869 1.00 0.00 C ATOM 1514 O SER A 102 -4.330 -29.777 12.618 1.00 0.00 O ATOM 1515 CB SER A 102 -1.135 -29.428 11.447 1.00 0.00 C ATOM 1516 OG SER A 102 0.054 -30.032 10.967 1.00 0.00 O ATOM 0 H SER A 102 -3.847 -30.556 10.562 1.00 0.00 H new ATOM 0 HA SER A 102 -1.667 -31.347 12.256 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.545 -28.767 10.683 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.907 -28.809 12.315 1.00 0.00 H new ATOM 0 HG SER A 102 -0.152 -30.922 10.611 1.00 0.00 H new ATOM 1522 N GLY A 103 -2.598 -29.596 14.043 1.00 0.00 N ATOM 1523 CA GLY A 103 -3.419 -29.050 15.108 1.00 0.00 C ATOM 1524 C GLY A 103 -2.821 -29.287 16.480 1.00 0.00 C ATOM 1525 O GLY A 103 -3.247 -30.173 17.222 1.00 0.00 O ATOM 0 H GLY A 103 -1.611 -29.704 14.275 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.547 -27.979 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.411 -29.500 15.065 1.00 0.00 H new ATOM 1529 N PRO A 104 -1.808 -28.483 16.836 1.00 0.00 N ATOM 1530 CA PRO A 104 -1.128 -28.591 18.130 1.00 0.00 C ATOM 1531 C PRO A 104 -2.015 -28.150 19.289 1.00 0.00 C ATOM 1532 O PRO A 104 -2.102 -26.962 19.599 1.00 0.00 O ATOM 1533 CB PRO A 104 0.068 -27.648 17.982 1.00 0.00 C ATOM 1534 CG PRO A 104 -0.355 -26.658 16.952 1.00 0.00 C ATOM 1535 CD PRO A 104 -1.249 -27.406 16.002 1.00 0.00 C ATOM 0 HA PRO A 104 -0.851 -29.620 18.360 1.00 0.00 H new ATOM 0 HB2 PRO A 104 0.306 -27.159 18.927 1.00 0.00 H new ATOM 0 HB3 PRO A 104 0.961 -28.188 17.669 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.884 -25.821 17.409 1.00 0.00 H new ATOM 0 HG3 PRO A 104 0.508 -26.244 16.431 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.031 -26.764 15.597 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -0.691 -27.803 15.154 1.00 0.00 H new ATOM 1543 N SER A 105 -2.671 -29.114 19.927 1.00 0.00 N ATOM 1544 CA SER A 105 -3.554 -28.823 21.051 1.00 0.00 C ATOM 1545 C SER A 105 -3.025 -29.456 22.334 1.00 0.00 C ATOM 1546 O SER A 105 -2.071 -30.233 22.309 1.00 0.00 O ATOM 1547 CB SER A 105 -4.967 -29.334 20.762 1.00 0.00 C ATOM 1548 OG SER A 105 -5.696 -28.402 19.982 1.00 0.00 O ATOM 0 H SER A 105 -2.608 -30.103 19.685 1.00 0.00 H new ATOM 0 HA SER A 105 -3.587 -27.742 21.186 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.912 -30.288 20.238 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.491 -29.516 21.701 1.00 0.00 H new ATOM 0 HG SER A 105 -6.595 -28.752 19.809 1.00 0.00 H new ATOM 1554 N SER A 106 -3.653 -29.116 23.456 1.00 0.00 N ATOM 1555 CA SER A 106 -3.244 -29.647 24.751 1.00 0.00 C ATOM 1556 C SER A 106 -4.335 -30.535 25.343 1.00 0.00 C ATOM 1557 O SER A 106 -5.496 -30.461 24.943 1.00 0.00 O ATOM 1558 CB SER A 106 -2.922 -28.504 25.716 1.00 0.00 C ATOM 1559 OG SER A 106 -1.932 -27.646 25.177 1.00 0.00 O ATOM 0 H SER A 106 -4.446 -28.476 23.494 1.00 0.00 H new ATOM 0 HA SER A 106 -2.349 -30.251 24.602 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.827 -27.934 25.925 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.576 -28.912 26.666 1.00 0.00 H new ATOM 0 HG SER A 106 -1.745 -26.923 25.812 1.00 0.00 H new ATOM 1565 N GLY A 107 -3.951 -31.376 26.299 1.00 0.00 N ATOM 1566 CA GLY A 107 -4.906 -32.267 26.931 1.00 0.00 C ATOM 1567 C GLY A 107 -4.797 -32.256 28.443 1.00 0.00 C ATOM 1568 O GLY A 107 -5.505 -31.509 29.117 1.00 0.00 O ATOM 0 H GLY A 107 -2.995 -31.456 26.647 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.916 -31.977 26.641 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.748 -33.282 26.566 1.00 0.00 H new TER 1572 GLY A 107