USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 159:sc= -9.29! USER MOD Set 1.2: A 77 TYR OH : rot 34:sc= -4.95! USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0.655 (180deg=0.576) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 108:sc= -4.87! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.35) USER MOD Single : A 22 SER OG : rot -174:sc= -0.0465! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -6.02! C(o=-6!,f=-7.8!) USER MOD Single : A 35 HIS : no HE2:sc= -7.23! C(o=-7.2!,f=-16!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 57 MET CE :methyl 140:sc= -3.52! (180deg=-7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -6:sc= -0.471 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.7! USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -0.178 (180deg=-1.27!) USER MOD Single : A 80 ASN : amide:sc= -3.17! C(o=-3.2!,f=-2.6!) USER MOD Single : A 82 THR OG1 : rot 4:sc= -6.76! USER MOD Single : A 87 ASN : amide:sc= -3.72! K(o=-3.7!,f=-2) USER MOD Single : A 89 ASN : amide:sc= -0.442 K(o=-0.44,f=1) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= 0.284 (180deg=0.0197) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.372 -8.819 -0.781 1.00 0.00 N ATOM 2 CA ALA A 1 -17.375 -9.566 -1.599 1.00 0.00 C ATOM 3 C ALA A 1 -15.979 -9.347 -1.024 1.00 0.00 C ATOM 4 O ALA A 1 -15.528 -8.232 -0.852 1.00 0.00 O ATOM 5 CB ALA A 1 -17.420 -9.066 -3.043 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.297 -8.841 -1.256 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.453 -9.262 0.157 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.062 -7.832 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.612 -10.630 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.690 -9.613 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.417 -9.226 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.184 -8.002 -3.067 1.00 0.00 H new ATOM 13 N ASP A 2 -15.292 -10.409 -0.727 1.00 0.00 N ATOM 14 CA ASP A 2 -13.927 -10.286 -0.160 1.00 0.00 C ATOM 15 C ASP A 2 -13.905 -9.271 0.991 1.00 0.00 C ATOM 16 O ASP A 2 -13.064 -8.395 1.026 1.00 0.00 O ATOM 17 CB ASP A 2 -12.971 -9.832 -1.259 1.00 0.00 C ATOM 18 CG ASP A 2 -11.596 -9.628 -0.650 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.447 -9.947 0.516 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.715 -9.158 -1.352 1.00 0.00 O ATOM 0 H ASP A 2 -15.621 -11.366 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.618 -11.256 0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.926 -10.577 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.326 -8.906 -1.711 1.00 0.00 H new ATOM 25 N PRO A 3 -14.800 -9.439 1.931 1.00 0.00 N ATOM 26 CA PRO A 3 -14.844 -8.574 3.116 1.00 0.00 C ATOM 27 C PRO A 3 -13.799 -9.082 4.114 1.00 0.00 C ATOM 28 O PRO A 3 -13.667 -8.577 5.212 1.00 0.00 O ATOM 29 CB PRO A 3 -16.255 -8.788 3.666 1.00 0.00 C ATOM 30 CG PRO A 3 -16.723 -10.165 3.135 1.00 0.00 C ATOM 31 CD PRO A 3 -15.848 -10.483 1.907 1.00 0.00 C ATOM 0 HA PRO A 3 -14.636 -7.523 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.254 -8.771 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.926 -7.995 3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.612 -10.934 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.778 -10.137 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.417 -11.482 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.427 -10.445 0.984 1.00 0.00 H new ATOM 39 N GLU A 4 -13.087 -10.118 3.742 1.00 0.00 N ATOM 40 CA GLU A 4 -12.080 -10.717 4.660 1.00 0.00 C ATOM 41 C GLU A 4 -10.876 -11.268 3.885 1.00 0.00 C ATOM 42 O GLU A 4 -10.076 -12.005 4.425 1.00 0.00 O ATOM 43 CB GLU A 4 -12.750 -11.883 5.355 1.00 0.00 C ATOM 44 CG GLU A 4 -12.339 -11.923 6.829 1.00 0.00 C ATOM 45 CD GLU A 4 -11.593 -13.227 7.118 1.00 0.00 C ATOM 46 OE1 GLU A 4 -11.685 -14.132 6.305 1.00 0.00 O ATOM 47 OE2 GLU A 4 -10.943 -13.299 8.148 1.00 0.00 O ATOM 0 H GLU A 4 -13.164 -10.575 2.833 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.729 -9.954 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.833 -11.791 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.472 -12.817 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.703 -11.069 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.221 -11.848 7.465 1.00 0.00 H new ATOM 54 N LYS A 5 -10.734 -10.938 2.635 1.00 0.00 N ATOM 55 CA LYS A 5 -9.582 -11.469 1.863 1.00 0.00 C ATOM 56 C LYS A 5 -9.044 -10.349 0.994 1.00 0.00 C ATOM 57 O LYS A 5 -8.650 -10.546 -0.138 1.00 0.00 O ATOM 58 CB LYS A 5 -10.047 -12.631 0.986 1.00 0.00 C ATOM 59 CG LYS A 5 -9.075 -13.803 1.139 1.00 0.00 C ATOM 60 CD LYS A 5 -9.793 -14.973 1.813 1.00 0.00 C ATOM 61 CE LYS A 5 -9.311 -16.290 1.201 1.00 0.00 C ATOM 62 NZ LYS A 5 -8.996 -17.257 2.289 1.00 0.00 N ATOM 0 H LYS A 5 -11.363 -10.326 2.116 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.804 -11.829 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.053 -12.938 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.095 -12.318 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.698 -14.107 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.213 -13.500 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.597 -14.965 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.871 -14.874 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.079 -16.701 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.427 -16.116 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.668 -18.152 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.250 -16.864 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.850 -17.431 2.857 1.00 0.00 H new ATOM 76 N SER A 6 -9.050 -9.162 1.520 1.00 0.00 N ATOM 77 CA SER A 6 -8.565 -8.003 0.733 1.00 0.00 C ATOM 78 C SER A 6 -7.309 -7.447 1.391 1.00 0.00 C ATOM 79 O SER A 6 -7.341 -6.960 2.500 1.00 0.00 O ATOM 80 CB SER A 6 -9.639 -6.913 0.715 1.00 0.00 C ATOM 81 OG SER A 6 -10.920 -7.511 0.580 1.00 0.00 O ATOM 0 H SER A 6 -9.371 -8.944 2.463 1.00 0.00 H new ATOM 0 HA SER A 6 -8.346 -8.320 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.594 -6.328 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.459 -6.224 -0.110 1.00 0.00 H new ATOM 0 HG SER A 6 -11.405 -7.440 1.428 1.00 0.00 H new ATOM 87 N TYR A 7 -6.199 -7.534 0.722 1.00 0.00 N ATOM 88 CA TYR A 7 -4.934 -7.019 1.323 1.00 0.00 C ATOM 89 C TYR A 7 -4.088 -6.303 0.262 1.00 0.00 C ATOM 90 O TYR A 7 -4.015 -6.720 -0.876 1.00 0.00 O ATOM 91 CB TYR A 7 -4.138 -8.193 1.897 1.00 0.00 C ATOM 92 CG TYR A 7 -4.136 -9.332 0.904 1.00 0.00 C ATOM 93 CD1 TYR A 7 -3.157 -9.386 -0.095 1.00 0.00 C ATOM 94 CD2 TYR A 7 -5.111 -10.333 0.985 1.00 0.00 C ATOM 95 CE1 TYR A 7 -3.155 -10.441 -1.015 1.00 0.00 C ATOM 96 CE2 TYR A 7 -5.108 -11.389 0.064 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.128 -11.443 -0.935 1.00 0.00 C ATOM 98 OH TYR A 7 -4.125 -12.483 -1.841 1.00 0.00 O ATOM 0 H TYR A 7 -6.108 -7.937 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.180 -6.310 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.116 -7.882 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.578 -8.519 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.404 -8.614 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.865 -10.291 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.401 -10.481 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.861 -12.161 0.124 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.867 -13.092 -1.643 1.00 0.00 H new ATOM 108 N ALA A 8 -3.432 -5.236 0.642 1.00 0.00 N ATOM 109 CA ALA A 8 -2.567 -4.492 -0.323 1.00 0.00 C ATOM 110 C ALA A 8 -1.144 -4.442 0.236 1.00 0.00 C ATOM 111 O ALA A 8 -0.929 -4.017 1.354 1.00 0.00 O ATOM 112 CB ALA A 8 -3.085 -3.064 -0.499 1.00 0.00 C ATOM 0 H ALA A 8 -3.459 -4.846 1.584 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.581 -4.997 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.448 -2.530 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.105 -3.092 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.071 -2.551 0.463 1.00 0.00 H new ATOM 118 N GLU A 9 -0.169 -4.879 -0.513 1.00 0.00 N ATOM 119 CA GLU A 9 1.223 -4.850 0.023 1.00 0.00 C ATOM 120 C GLU A 9 2.212 -4.494 -1.087 1.00 0.00 C ATOM 121 O GLU A 9 2.079 -4.916 -2.224 1.00 0.00 O ATOM 122 CB GLU A 9 1.577 -6.225 0.589 1.00 0.00 C ATOM 123 CG GLU A 9 1.682 -7.233 -0.557 1.00 0.00 C ATOM 124 CD GLU A 9 3.091 -7.188 -1.150 1.00 0.00 C ATOM 125 OE1 GLU A 9 4.015 -6.897 -0.408 1.00 0.00 O ATOM 126 OE2 GLU A 9 3.223 -7.443 -2.335 1.00 0.00 O ATOM 0 H GLU A 9 -0.271 -5.249 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 9 1.283 -4.096 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.521 -6.175 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.816 -6.545 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.461 -8.237 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.945 -7.003 -1.326 1.00 0.00 H new ATOM 133 N GLY A 10 3.203 -3.711 -0.761 1.00 0.00 N ATOM 134 CA GLY A 10 4.211 -3.329 -1.781 1.00 0.00 C ATOM 135 C GLY A 10 5.458 -2.773 -1.098 1.00 0.00 C ATOM 136 O GLY A 10 5.466 -2.560 0.098 1.00 0.00 O ATOM 0 H GLY A 10 3.356 -3.321 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.474 -4.196 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.793 -2.583 -2.456 1.00 0.00 H new ATOM 140 N PRO A 11 6.459 -2.495 -1.898 1.00 0.00 N ATOM 141 CA PRO A 11 7.709 -1.890 -1.417 1.00 0.00 C ATOM 142 C PRO A 11 7.487 -0.383 -1.219 1.00 0.00 C ATOM 143 O PRO A 11 8.407 0.371 -0.971 1.00 0.00 O ATOM 144 CB PRO A 11 8.700 -2.156 -2.553 1.00 0.00 C ATOM 145 CG PRO A 11 7.851 -2.383 -3.826 1.00 0.00 C ATOM 146 CD PRO A 11 6.438 -2.772 -3.349 1.00 0.00 C ATOM 0 HA PRO A 11 8.061 -2.290 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.378 -1.312 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.316 -3.029 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.819 -1.481 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.282 -3.171 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.671 -2.186 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.224 -3.821 -3.552 1.00 0.00 H new ATOM 154 N GLY A 12 6.255 0.051 -1.328 1.00 0.00 N ATOM 155 CA GLY A 12 5.926 1.487 -1.155 1.00 0.00 C ATOM 156 C GLY A 12 5.001 1.623 0.048 1.00 0.00 C ATOM 157 O GLY A 12 4.345 0.680 0.407 1.00 0.00 O ATOM 0 H GLY A 12 5.454 -0.546 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.835 2.069 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.444 1.877 -2.051 1.00 0.00 H new ATOM 161 N LEU A 13 4.950 2.785 0.656 1.00 0.00 N ATOM 162 CA LEU A 13 4.059 3.012 1.845 1.00 0.00 C ATOM 163 C LEU A 13 4.800 2.661 3.129 1.00 0.00 C ATOM 164 O LEU A 13 4.532 3.200 4.184 1.00 0.00 O ATOM 165 CB LEU A 13 2.756 2.199 1.709 1.00 0.00 C ATOM 166 CG LEU A 13 2.596 1.144 2.826 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.129 0.780 2.940 1.00 0.00 C ATOM 168 CD2 LEU A 13 3.391 -0.126 2.503 1.00 0.00 C ATOM 0 H LEU A 13 5.496 3.600 0.376 1.00 0.00 H new ATOM 0 HA LEU A 13 3.787 4.067 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.904 2.878 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.742 1.701 0.739 1.00 0.00 H new ATOM 0 HG LEU A 13 2.972 1.563 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.999 0.035 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.551 1.671 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.781 0.372 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.260 -0.851 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.031 -0.552 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.448 0.121 2.406 1.00 0.00 H new ATOM 180 N ASP A 14 5.732 1.775 3.045 1.00 0.00 N ATOM 181 CA ASP A 14 6.506 1.400 4.260 1.00 0.00 C ATOM 182 C ASP A 14 6.995 2.675 4.935 1.00 0.00 C ATOM 183 O ASP A 14 7.299 2.700 6.111 1.00 0.00 O ATOM 184 CB ASP A 14 7.720 0.580 3.863 1.00 0.00 C ATOM 185 CG ASP A 14 7.348 -0.396 2.745 1.00 0.00 C ATOM 186 OD1 ASP A 14 6.779 -1.430 3.053 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.637 -0.092 1.599 1.00 0.00 O ATOM 0 H ASP A 14 5.999 1.288 2.190 1.00 0.00 H new ATOM 0 HA ASP A 14 5.871 0.820 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.522 1.239 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.097 0.031 4.726 1.00 0.00 H new ATOM 192 N GLY A 15 7.071 3.733 4.183 1.00 0.00 N ATOM 193 CA GLY A 15 7.539 5.035 4.749 1.00 0.00 C ATOM 194 C GLY A 15 9.062 5.107 4.758 1.00 0.00 C ATOM 195 O GLY A 15 9.723 4.865 3.768 1.00 0.00 O ATOM 0 H GLY A 15 6.828 3.757 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.135 5.859 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.159 5.153 5.764 1.00 0.00 H new ATOM 199 N GLY A 16 9.613 5.441 5.890 1.00 0.00 N ATOM 200 CA GLY A 16 11.094 5.542 6.015 1.00 0.00 C ATOM 201 C GLY A 16 11.653 6.672 5.160 1.00 0.00 C ATOM 202 O GLY A 16 12.225 7.616 5.669 1.00 0.00 O ATOM 0 H GLY A 16 9.095 5.651 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.361 5.708 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.550 4.598 5.716 1.00 0.00 H new ATOM 206 N GLU A 17 11.535 6.583 3.867 1.00 0.00 N ATOM 207 CA GLU A 17 12.115 7.657 3.021 1.00 0.00 C ATOM 208 C GLU A 17 11.103 8.200 2.016 1.00 0.00 C ATOM 209 O GLU A 17 10.306 7.481 1.449 1.00 0.00 O ATOM 210 CB GLU A 17 13.294 7.098 2.250 1.00 0.00 C ATOM 211 CG GLU A 17 14.526 7.046 3.155 1.00 0.00 C ATOM 212 CD GLU A 17 15.734 6.567 2.348 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.752 6.802 1.151 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.621 5.975 2.942 1.00 0.00 O ATOM 0 H GLU A 17 11.070 5.826 3.366 1.00 0.00 H new ATOM 0 HA GLU A 17 12.419 8.470 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.059 6.099 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.498 7.719 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.724 8.032 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.346 6.373 3.994 1.00 0.00 H new ATOM 221 N CYS A 18 11.161 9.478 1.795 1.00 0.00 N ATOM 222 CA CYS A 18 10.232 10.134 0.816 1.00 0.00 C ATOM 223 C CYS A 18 10.855 10.093 -0.577 1.00 0.00 C ATOM 224 O CYS A 18 10.181 10.249 -1.575 1.00 0.00 O ATOM 225 CB CYS A 18 10.009 11.613 1.171 1.00 0.00 C ATOM 226 SG CYS A 18 8.555 11.798 2.239 1.00 0.00 S ATOM 0 H CYS A 18 11.817 10.112 2.252 1.00 0.00 H new ATOM 0 HA CYS A 18 9.283 9.598 0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.891 12.009 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.875 12.196 0.260 1.00 0.00 H new ATOM 0 HG CYS A 18 8.633 12.922 2.888 1.00 0.00 H new ATOM 232 N PHE A 19 12.144 9.917 -0.652 1.00 0.00 N ATOM 233 CA PHE A 19 12.815 9.904 -1.982 1.00 0.00 C ATOM 234 C PHE A 19 12.816 8.498 -2.552 1.00 0.00 C ATOM 235 O PHE A 19 13.425 8.225 -3.568 1.00 0.00 O ATOM 236 CB PHE A 19 14.239 10.434 -1.841 1.00 0.00 C ATOM 237 CG PHE A 19 14.131 11.923 -1.695 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.365 12.449 -0.654 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.750 12.776 -2.615 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.213 13.825 -0.528 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.602 14.161 -2.480 1.00 0.00 C ATOM 242 CZ PHE A 19 13.829 14.678 -1.435 1.00 0.00 C ATOM 0 H PHE A 19 12.762 9.782 0.148 1.00 0.00 H new ATOM 0 HA PHE A 19 12.269 10.549 -2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.732 9.995 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.838 10.173 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.890 11.787 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.338 12.368 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.616 14.231 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.083 14.828 -3.180 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.710 15.747 -1.333 1.00 0.00 H new ATOM 252 N GLN A 20 12.092 7.618 -1.938 1.00 0.00 N ATOM 253 CA GLN A 20 11.995 6.246 -2.473 1.00 0.00 C ATOM 254 C GLN A 20 10.682 6.188 -3.241 1.00 0.00 C ATOM 255 O GLN A 20 9.752 6.895 -2.910 1.00 0.00 O ATOM 256 CB GLN A 20 11.975 5.236 -1.322 1.00 0.00 C ATOM 257 CG GLN A 20 13.293 5.313 -0.548 1.00 0.00 C ATOM 258 CD GLN A 20 14.439 4.825 -1.437 1.00 0.00 C ATOM 259 OE1 GLN A 20 14.370 3.751 -2.001 1.00 0.00 O ATOM 260 NE2 GLN A 20 15.498 5.574 -1.585 1.00 0.00 N ATOM 0 H GLN A 20 11.561 7.792 -1.085 1.00 0.00 H new ATOM 0 HA GLN A 20 12.844 6.003 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.138 5.445 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.829 4.229 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.479 6.338 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.233 4.703 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.555 6.476 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.268 5.258 -2.174 1.00 0.00 H new ATOM 269 N PRO A 21 10.631 5.367 -4.241 1.00 0.00 N ATOM 270 CA PRO A 21 9.422 5.234 -5.057 1.00 0.00 C ATOM 271 C PRO A 21 8.353 4.531 -4.232 1.00 0.00 C ATOM 272 O PRO A 21 8.599 3.500 -3.641 1.00 0.00 O ATOM 273 CB PRO A 21 9.882 4.396 -6.255 1.00 0.00 C ATOM 274 CG PRO A 21 11.158 3.652 -5.797 1.00 0.00 C ATOM 275 CD PRO A 21 11.743 4.480 -4.636 1.00 0.00 C ATOM 0 HA PRO A 21 8.986 6.178 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.108 3.691 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.089 5.030 -7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.923 2.638 -5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.874 3.567 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.059 3.843 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.617 5.050 -4.952 1.00 0.00 H new ATOM 283 N SER A 22 7.171 5.079 -4.159 1.00 0.00 N ATOM 284 CA SER A 22 6.135 4.422 -3.340 1.00 0.00 C ATOM 285 C SER A 22 5.143 3.734 -4.263 1.00 0.00 C ATOM 286 O SER A 22 4.403 4.373 -4.979 1.00 0.00 O ATOM 287 CB SER A 22 5.423 5.490 -2.543 1.00 0.00 C ATOM 288 OG SER A 22 5.269 5.047 -1.202 1.00 0.00 O ATOM 0 H SER A 22 6.888 5.940 -4.626 1.00 0.00 H new ATOM 0 HA SER A 22 6.579 3.685 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.992 6.420 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.448 5.700 -2.983 1.00 0.00 H new ATOM 0 HG SER A 22 4.723 5.692 -0.705 1.00 0.00 H new ATOM 294 N LYS A 23 5.131 2.431 -4.260 1.00 0.00 N ATOM 295 CA LYS A 23 4.195 1.697 -5.138 1.00 0.00 C ATOM 296 C LYS A 23 3.849 0.354 -4.509 1.00 0.00 C ATOM 297 O LYS A 23 4.706 -0.353 -4.023 1.00 0.00 O ATOM 298 CB LYS A 23 4.863 1.436 -6.479 1.00 0.00 C ATOM 299 CG LYS A 23 5.704 2.644 -6.895 1.00 0.00 C ATOM 300 CD LYS A 23 6.250 2.416 -8.305 1.00 0.00 C ATOM 301 CE LYS A 23 7.284 3.493 -8.637 1.00 0.00 C ATOM 302 NZ LYS A 23 7.238 3.791 -10.096 1.00 0.00 N ATOM 0 H LYS A 23 5.734 1.845 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 23 3.292 2.292 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.494 0.550 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.106 1.232 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.098 3.550 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.525 2.789 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.705 1.428 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.436 2.444 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.080 4.397 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.281 3.155 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.941 4.523 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.452 2.927 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.289 4.131 -10.351 1.00 0.00 H new ATOM 316 N PHE A 24 2.600 -0.007 -4.522 1.00 0.00 N ATOM 317 CA PHE A 24 2.200 -1.319 -3.933 1.00 0.00 C ATOM 318 C PHE A 24 1.130 -1.962 -4.808 1.00 0.00 C ATOM 319 O PHE A 24 0.449 -1.296 -5.571 1.00 0.00 O ATOM 320 CB PHE A 24 1.654 -1.166 -2.502 1.00 0.00 C ATOM 321 CG PHE A 24 1.654 0.278 -2.091 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.863 0.962 -1.990 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.449 0.930 -1.817 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.875 2.303 -1.621 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.463 2.274 -1.441 1.00 0.00 C ATOM 326 CZ PHE A 24 1.679 2.958 -1.346 1.00 0.00 C ATOM 0 H PHE A 24 1.837 0.546 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 24 3.090 -1.947 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.641 -1.566 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.263 -1.747 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.791 0.451 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.487 0.397 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.812 2.835 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.463 2.785 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.690 3.999 -1.058 1.00 0.00 H new ATOM 336 N LYS A 25 0.975 -3.255 -4.702 1.00 0.00 N ATOM 337 CA LYS A 25 -0.049 -3.946 -5.529 1.00 0.00 C ATOM 338 C LYS A 25 -1.118 -4.501 -4.596 1.00 0.00 C ATOM 339 O LYS A 25 -0.828 -4.959 -3.506 1.00 0.00 O ATOM 340 CB LYS A 25 0.602 -5.094 -6.305 1.00 0.00 C ATOM 341 CG LYS A 25 1.939 -4.627 -6.886 1.00 0.00 C ATOM 342 CD LYS A 25 2.229 -5.394 -8.178 1.00 0.00 C ATOM 343 CE LYS A 25 3.681 -5.876 -8.171 1.00 0.00 C ATOM 344 NZ LYS A 25 3.709 -7.365 -8.249 1.00 0.00 N ATOM 0 H LYS A 25 1.513 -3.858 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.492 -3.249 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.759 -5.949 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.058 -5.425 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.907 -3.556 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.739 -4.793 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.553 -6.244 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.052 -4.753 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.222 -5.446 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.183 -5.539 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.695 -7.694 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.207 -7.765 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.245 -7.675 -9.126 1.00 0.00 H new ATOM 358 N ILE A 26 -2.357 -4.432 -4.992 1.00 0.00 N ATOM 359 CA ILE A 26 -3.432 -4.923 -4.099 1.00 0.00 C ATOM 360 C ILE A 26 -4.062 -6.185 -4.668 1.00 0.00 C ATOM 361 O ILE A 26 -4.078 -6.411 -5.861 1.00 0.00 O ATOM 362 CB ILE A 26 -4.488 -3.835 -3.949 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.770 -2.477 -3.855 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.306 -4.101 -2.682 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.623 -1.468 -3.086 1.00 0.00 C ATOM 0 H ILE A 26 -2.667 -4.059 -5.889 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.008 -5.163 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.165 -3.829 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.808 -2.602 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.564 -2.099 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.064 -3.326 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.791 -5.074 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.646 -4.093 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.098 -0.515 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.574 -1.329 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.806 -1.840 -2.078 1.00 0.00 H new ATOM 377 N HIS A 27 -4.574 -7.011 -3.807 1.00 0.00 N ATOM 378 CA HIS A 27 -5.202 -8.275 -4.260 1.00 0.00 C ATOM 379 C HIS A 27 -6.458 -8.556 -3.435 1.00 0.00 C ATOM 380 O HIS A 27 -6.404 -8.727 -2.227 1.00 0.00 O ATOM 381 CB HIS A 27 -4.214 -9.428 -4.079 1.00 0.00 C ATOM 382 CG HIS A 27 -2.851 -8.973 -4.501 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.208 -7.920 -3.878 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.006 -9.395 -5.497 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.035 -7.739 -4.497 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.856 -8.611 -5.493 1.00 0.00 N ATOM 0 H HIS A 27 -4.584 -6.862 -2.798 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.473 -8.182 -5.312 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.198 -9.750 -3.038 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.525 -10.287 -4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.203 -10.209 -6.178 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.319 -6.978 -4.224 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.051 -8.686 -6.115 1.00 0.00 H new ATOM 394 N ALA A 28 -7.586 -8.606 -4.082 1.00 0.00 N ATOM 395 CA ALA A 28 -8.853 -8.885 -3.356 1.00 0.00 C ATOM 396 C ALA A 28 -9.290 -10.329 -3.621 1.00 0.00 C ATOM 397 O ALA A 28 -9.200 -10.818 -4.729 1.00 0.00 O ATOM 398 CB ALA A 28 -9.941 -7.932 -3.850 1.00 0.00 C ATOM 0 H ALA A 28 -7.685 -8.465 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.696 -8.742 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.871 -8.135 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.634 -6.903 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.095 -8.078 -4.919 1.00 0.00 H new ATOM 404 N VAL A 29 -9.777 -11.010 -2.618 1.00 0.00 N ATOM 405 CA VAL A 29 -10.240 -12.411 -2.817 1.00 0.00 C ATOM 406 C VAL A 29 -11.653 -12.535 -2.234 1.00 0.00 C ATOM 407 O VAL A 29 -11.910 -12.162 -1.107 1.00 0.00 O ATOM 408 CB VAL A 29 -9.274 -13.389 -2.128 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.014 -14.665 -1.704 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.167 -13.763 -3.114 1.00 0.00 C ATOM 0 H VAL A 29 -9.874 -10.654 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.260 -12.658 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.855 -12.912 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.316 -15.346 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.813 -14.408 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.439 -15.148 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.474 -14.457 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.607 -14.235 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.630 -12.864 -3.416 1.00 0.00 H new ATOM 420 N ASP A 30 -12.562 -13.051 -3.006 1.00 0.00 N ATOM 421 CA ASP A 30 -13.969 -13.203 -2.538 1.00 0.00 C ATOM 422 C ASP A 30 -14.220 -14.688 -2.234 1.00 0.00 C ATOM 423 O ASP A 30 -13.290 -15.469 -2.233 1.00 0.00 O ATOM 424 CB ASP A 30 -14.897 -12.681 -3.646 1.00 0.00 C ATOM 425 CG ASP A 30 -15.220 -13.794 -4.649 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.358 -14.626 -4.879 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.324 -13.794 -5.168 1.00 0.00 O ATOM 0 H ASP A 30 -12.390 -13.380 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.161 -12.633 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.819 -12.302 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.423 -11.846 -4.162 1.00 0.00 H new ATOM 432 N PRO A 31 -15.453 -15.044 -1.969 1.00 0.00 N ATOM 433 CA PRO A 31 -15.804 -16.436 -1.645 1.00 0.00 C ATOM 434 C PRO A 31 -15.888 -17.306 -2.907 1.00 0.00 C ATOM 435 O PRO A 31 -16.459 -18.378 -2.881 1.00 0.00 O ATOM 436 CB PRO A 31 -17.172 -16.314 -0.968 1.00 0.00 C ATOM 437 CG PRO A 31 -17.775 -14.969 -1.436 1.00 0.00 C ATOM 438 CD PRO A 31 -16.605 -14.117 -1.962 1.00 0.00 C ATOM 0 HA PRO A 31 -15.058 -16.919 -1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.818 -17.147 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.071 -16.337 0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.518 -15.129 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.281 -14.465 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.811 -13.731 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.419 -13.256 -1.320 1.00 0.00 H new ATOM 446 N ASP A 32 -15.323 -16.879 -4.009 1.00 0.00 N ATOM 447 CA ASP A 32 -15.391 -17.725 -5.233 1.00 0.00 C ATOM 448 C ASP A 32 -13.976 -18.118 -5.655 1.00 0.00 C ATOM 449 O ASP A 32 -13.756 -18.606 -6.746 1.00 0.00 O ATOM 450 CB ASP A 32 -16.061 -16.940 -6.363 1.00 0.00 C ATOM 451 CG ASP A 32 -17.550 -16.773 -6.055 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.115 -17.675 -5.460 1.00 0.00 O ATOM 453 OD2 ASP A 32 -18.099 -15.747 -6.420 1.00 0.00 O ATOM 0 H ASP A 32 -14.825 -15.994 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.973 -18.623 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.589 -15.963 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.931 -17.463 -7.310 1.00 0.00 H new ATOM 458 N GLY A 33 -13.009 -17.878 -4.812 1.00 0.00 N ATOM 459 CA GLY A 33 -11.607 -18.205 -5.184 1.00 0.00 C ATOM 460 C GLY A 33 -11.208 -17.208 -6.254 1.00 0.00 C ATOM 461 O GLY A 33 -10.479 -17.507 -7.179 1.00 0.00 O ATOM 0 H GLY A 33 -13.130 -17.471 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.948 -18.132 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.532 -19.227 -5.557 1.00 0.00 H new ATOM 465 N VAL A 34 -11.736 -16.023 -6.142 1.00 0.00 N ATOM 466 CA VAL A 34 -11.464 -14.979 -7.155 1.00 0.00 C ATOM 467 C VAL A 34 -11.487 -13.605 -6.487 1.00 0.00 C ATOM 468 O VAL A 34 -11.756 -13.484 -5.308 1.00 0.00 O ATOM 469 CB VAL A 34 -12.573 -15.028 -8.209 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.989 -14.693 -9.577 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.198 -16.429 -8.252 1.00 0.00 C ATOM 0 H VAL A 34 -12.351 -15.734 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.489 -15.150 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.343 -14.301 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.778 -14.728 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.555 -13.693 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.215 -15.418 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.986 -16.453 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.432 -17.162 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.621 -16.669 -7.277 1.00 0.00 H new ATOM 481 N HIS A 35 -11.236 -12.568 -7.234 1.00 0.00 N ATOM 482 CA HIS A 35 -11.273 -11.205 -6.641 1.00 0.00 C ATOM 483 C HIS A 35 -12.689 -10.655 -6.804 1.00 0.00 C ATOM 484 O HIS A 35 -12.927 -9.723 -7.543 1.00 0.00 O ATOM 485 CB HIS A 35 -10.268 -10.299 -7.354 1.00 0.00 C ATOM 486 CG HIS A 35 -8.922 -10.973 -7.377 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.751 -10.314 -7.032 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.544 -12.248 -7.717 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.737 -11.187 -7.177 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.166 -12.379 -7.591 1.00 0.00 N ATOM 0 H HIS A 35 -11.007 -12.605 -8.227 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.007 -11.244 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.603 -10.094 -8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.199 -9.339 -6.842 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.673 -9.345 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.216 -13.031 -8.035 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.702 -10.950 -6.982 1.00 0.00 H new ATOM 498 N ARG A 36 -13.629 -11.267 -6.133 1.00 0.00 N ATOM 499 CA ARG A 36 -15.054 -10.844 -6.229 1.00 0.00 C ATOM 500 C ARG A 36 -15.406 -10.637 -7.697 1.00 0.00 C ATOM 501 O ARG A 36 -15.589 -9.528 -8.158 1.00 0.00 O ATOM 502 CB ARG A 36 -15.293 -9.557 -5.425 1.00 0.00 C ATOM 503 CG ARG A 36 -14.350 -8.442 -5.885 1.00 0.00 C ATOM 504 CD ARG A 36 -14.805 -7.119 -5.270 1.00 0.00 C ATOM 505 NE ARG A 36 -16.225 -6.866 -5.645 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.121 -6.671 -4.717 1.00 0.00 C ATOM 507 NH1 ARG A 36 -16.780 -6.116 -3.586 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.360 -7.026 -4.922 1.00 0.00 N ATOM 0 H ARG A 36 -13.464 -12.058 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.694 -11.619 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.328 -9.236 -5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.140 -9.753 -4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.327 -8.666 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.352 -8.372 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.704 -7.155 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.173 -6.304 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.497 -6.845 -6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.813 -5.834 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.481 -5.964 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.628 -7.456 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.061 -6.874 -4.197 1.00 0.00 H new ATOM 522 N THR A 37 -15.492 -11.705 -8.443 1.00 0.00 N ATOM 523 CA THR A 37 -15.820 -11.565 -9.889 1.00 0.00 C ATOM 524 C THR A 37 -14.946 -10.453 -10.484 1.00 0.00 C ATOM 525 O THR A 37 -15.343 -9.305 -10.532 1.00 0.00 O ATOM 526 CB THR A 37 -17.296 -11.192 -10.044 1.00 0.00 C ATOM 527 OG1 THR A 37 -18.082 -12.008 -9.187 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.730 -11.406 -11.496 1.00 0.00 C ATOM 0 H THR A 37 -15.350 -12.661 -8.116 1.00 0.00 H new ATOM 0 HA THR A 37 -15.632 -12.505 -10.407 1.00 0.00 H new ATOM 0 HB THR A 37 -17.436 -10.144 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.027 -11.769 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.781 -11.140 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.127 -10.778 -12.152 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.591 -12.453 -11.767 1.00 0.00 H new ATOM 536 N ASP A 38 -13.754 -10.772 -10.927 1.00 0.00 N ATOM 537 CA ASP A 38 -12.867 -9.722 -11.502 1.00 0.00 C ATOM 538 C ASP A 38 -13.662 -8.852 -12.475 1.00 0.00 C ATOM 539 O ASP A 38 -14.802 -9.133 -12.786 1.00 0.00 O ATOM 540 CB ASP A 38 -11.704 -10.384 -12.241 1.00 0.00 C ATOM 541 CG ASP A 38 -10.448 -9.522 -12.089 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.584 -8.382 -11.676 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.374 -10.016 -12.389 1.00 0.00 O ATOM 0 H ASP A 38 -13.361 -11.713 -10.914 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.478 -9.099 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.525 -11.381 -11.840 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.950 -10.504 -13.296 1.00 0.00 H new ATOM 548 N GLY A 39 -13.068 -7.796 -12.962 1.00 0.00 N ATOM 549 CA GLY A 39 -13.794 -6.913 -13.913 1.00 0.00 C ATOM 550 C GLY A 39 -14.578 -5.850 -13.134 1.00 0.00 C ATOM 551 O GLY A 39 -14.670 -4.712 -13.550 1.00 0.00 O ATOM 0 H GLY A 39 -12.114 -7.509 -12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.088 -6.434 -14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.474 -7.504 -14.526 1.00 0.00 H new ATOM 555 N GLY A 40 -15.150 -6.207 -12.011 1.00 0.00 N ATOM 556 CA GLY A 40 -15.926 -5.203 -11.227 1.00 0.00 C ATOM 557 C GLY A 40 -15.673 -5.389 -9.725 1.00 0.00 C ATOM 558 O GLY A 40 -16.579 -5.676 -8.969 1.00 0.00 O ATOM 0 H GLY A 40 -15.113 -7.143 -11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.640 -4.196 -11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.990 -5.309 -11.439 1.00 0.00 H new ATOM 562 N ASP A 41 -14.454 -5.216 -9.280 1.00 0.00 N ATOM 563 CA ASP A 41 -14.166 -5.374 -7.824 1.00 0.00 C ATOM 564 C ASP A 41 -14.353 -4.024 -7.128 1.00 0.00 C ATOM 565 O ASP A 41 -13.748 -3.040 -7.501 1.00 0.00 O ATOM 566 CB ASP A 41 -12.719 -5.846 -7.626 1.00 0.00 C ATOM 567 CG ASP A 41 -12.557 -7.257 -8.191 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.445 -7.694 -8.905 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.547 -7.878 -7.903 1.00 0.00 O ATOM 0 H ASP A 41 -13.650 -4.973 -9.859 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.847 -6.112 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.032 -5.163 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.465 -5.837 -6.566 1.00 0.00 H new ATOM 574 N GLY A 42 -15.179 -3.971 -6.119 1.00 0.00 N ATOM 575 CA GLY A 42 -15.390 -2.684 -5.398 1.00 0.00 C ATOM 576 C GLY A 42 -14.103 -2.326 -4.662 1.00 0.00 C ATOM 577 O GLY A 42 -14.061 -2.261 -3.450 1.00 0.00 O ATOM 0 H GLY A 42 -15.716 -4.762 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.656 -1.895 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.217 -2.775 -4.693 1.00 0.00 H new ATOM 581 N PHE A 43 -13.045 -2.117 -5.389 1.00 0.00 N ATOM 582 CA PHE A 43 -11.745 -1.790 -4.749 1.00 0.00 C ATOM 583 C PHE A 43 -11.475 -0.290 -4.840 1.00 0.00 C ATOM 584 O PHE A 43 -11.187 0.236 -5.897 1.00 0.00 O ATOM 585 CB PHE A 43 -10.636 -2.536 -5.486 1.00 0.00 C ATOM 586 CG PHE A 43 -9.852 -3.396 -4.524 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.578 -2.944 -3.227 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.381 -4.643 -4.943 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.835 -3.749 -2.354 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.637 -5.443 -4.075 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.365 -4.998 -2.779 1.00 0.00 C ATOM 0 H PHE A 43 -13.025 -2.159 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.775 -2.085 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.066 -3.157 -6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.970 -1.823 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.938 -1.979 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.594 -4.989 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.624 -3.406 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.272 -6.405 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.792 -5.617 -2.105 1.00 0.00 H new ATOM 601 N VAL A 44 -11.531 0.397 -3.736 1.00 0.00 N ATOM 602 CA VAL A 44 -11.239 1.856 -3.756 1.00 0.00 C ATOM 603 C VAL A 44 -9.996 2.097 -2.897 1.00 0.00 C ATOM 604 O VAL A 44 -10.008 1.899 -1.699 1.00 0.00 O ATOM 605 CB VAL A 44 -12.451 2.669 -3.228 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.430 1.758 -2.481 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.988 3.789 -2.282 1.00 0.00 C ATOM 0 H VAL A 44 -11.766 0.012 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.055 2.190 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.952 3.110 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.272 2.348 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.793 0.983 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.922 1.294 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.855 4.345 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.461 3.354 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.319 4.464 -2.817 1.00 0.00 H new ATOM 617 N VAL A 45 -8.923 2.518 -3.501 1.00 0.00 N ATOM 618 CA VAL A 45 -7.683 2.764 -2.720 1.00 0.00 C ATOM 619 C VAL A 45 -7.296 4.230 -2.847 1.00 0.00 C ATOM 620 O VAL A 45 -7.607 4.884 -3.823 1.00 0.00 O ATOM 621 CB VAL A 45 -6.552 1.897 -3.261 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.461 1.752 -2.197 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.093 0.518 -3.636 1.00 0.00 C ATOM 0 H VAL A 45 -8.851 2.702 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.859 2.515 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.129 2.369 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.654 1.132 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.071 2.737 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.881 1.284 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.281 -0.099 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.521 0.043 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.863 0.625 -4.400 1.00 0.00 H new ATOM 633 N THR A 46 -6.619 4.756 -1.870 1.00 0.00 N ATOM 634 CA THR A 46 -6.218 6.182 -1.948 1.00 0.00 C ATOM 635 C THR A 46 -5.058 6.471 -0.994 1.00 0.00 C ATOM 636 O THR A 46 -5.120 6.202 0.192 1.00 0.00 O ATOM 637 CB THR A 46 -7.411 7.074 -1.590 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.425 6.287 -0.982 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.961 7.722 -2.860 1.00 0.00 C ATOM 0 H THR A 46 -6.328 4.263 -1.026 1.00 0.00 H new ATOM 0 HA THR A 46 -5.893 6.395 -2.966 1.00 0.00 H new ATOM 0 HB THR A 46 -7.089 7.850 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.188 6.858 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.810 8.357 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.183 8.326 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.283 6.946 -3.554 1.00 0.00 H new ATOM 647 N ILE A 47 -4.011 7.047 -1.514 1.00 0.00 N ATOM 648 CA ILE A 47 -2.835 7.408 -0.675 1.00 0.00 C ATOM 649 C ILE A 47 -2.599 8.903 -0.770 1.00 0.00 C ATOM 650 O ILE A 47 -2.940 9.538 -1.748 1.00 0.00 O ATOM 651 CB ILE A 47 -1.563 6.708 -1.172 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.461 5.300 -0.561 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.324 7.549 -0.785 1.00 0.00 C ATOM 654 CD1 ILE A 47 -0.021 5.063 -0.092 1.00 0.00 C ATOM 0 H ILE A 47 -3.919 7.287 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.045 7.098 0.349 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.606 6.614 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.151 5.202 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.746 4.548 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.579 7.051 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.397 8.536 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.280 7.654 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.061 4.067 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.657 5.145 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.245 5.809 0.657 1.00 0.00 H new ATOM 666 N GLU A 48 -1.958 9.460 0.211 1.00 0.00 N ATOM 667 CA GLU A 48 -1.648 10.906 0.114 1.00 0.00 C ATOM 668 C GLU A 48 -0.692 11.332 1.230 1.00 0.00 C ATOM 669 O GLU A 48 -0.613 10.719 2.281 1.00 0.00 O ATOM 670 CB GLU A 48 -2.938 11.726 0.192 1.00 0.00 C ATOM 671 CG GLU A 48 -3.965 10.987 1.053 1.00 0.00 C ATOM 672 CD GLU A 48 -4.657 11.979 1.991 1.00 0.00 C ATOM 673 OE1 GLU A 48 -3.976 12.543 2.831 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.855 12.156 1.853 1.00 0.00 O ATOM 0 H GLU A 48 -1.641 8.990 1.059 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.164 11.089 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.731 12.708 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.338 11.890 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.702 10.497 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.474 10.205 1.632 1.00 0.00 H new ATOM 681 N GLY A 49 0.033 12.388 0.986 1.00 0.00 N ATOM 682 CA GLY A 49 1.005 12.913 1.985 1.00 0.00 C ATOM 683 C GLY A 49 1.316 14.372 1.629 1.00 0.00 C ATOM 684 O GLY A 49 0.649 14.955 0.799 1.00 0.00 O ATOM 0 H GLY A 49 -0.009 12.920 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.590 12.847 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.918 12.317 1.977 1.00 0.00 H new ATOM 688 N PRO A 50 2.317 14.921 2.264 1.00 0.00 N ATOM 689 CA PRO A 50 2.731 16.317 2.030 1.00 0.00 C ATOM 690 C PRO A 50 3.542 16.420 0.733 1.00 0.00 C ATOM 691 O PRO A 50 4.739 16.628 0.753 1.00 0.00 O ATOM 692 CB PRO A 50 3.600 16.642 3.246 1.00 0.00 C ATOM 693 CG PRO A 50 4.099 15.285 3.798 1.00 0.00 C ATOM 694 CD PRO A 50 3.129 14.209 3.271 1.00 0.00 C ATOM 0 HA PRO A 50 1.891 17.003 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.438 17.280 2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.027 17.182 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.118 15.083 3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.114 15.292 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.666 13.370 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.508 13.805 4.071 1.00 0.00 H new ATOM 702 N ALA A 51 2.898 16.271 -0.393 1.00 0.00 N ATOM 703 CA ALA A 51 3.627 16.357 -1.690 1.00 0.00 C ATOM 704 C ALA A 51 2.649 16.796 -2.785 1.00 0.00 C ATOM 705 O ALA A 51 1.477 16.977 -2.528 1.00 0.00 O ATOM 706 CB ALA A 51 4.201 14.981 -2.039 1.00 0.00 C ATOM 0 H ALA A 51 1.897 16.093 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 51 4.439 17.080 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.735 15.039 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.888 14.664 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.389 14.259 -2.124 1.00 0.00 H new ATOM 712 N PRO A 52 3.161 16.954 -3.979 1.00 0.00 N ATOM 713 CA PRO A 52 2.351 17.370 -5.137 1.00 0.00 C ATOM 714 C PRO A 52 1.541 16.184 -5.676 1.00 0.00 C ATOM 715 O PRO A 52 0.349 16.279 -5.886 1.00 0.00 O ATOM 716 CB PRO A 52 3.394 17.834 -6.157 1.00 0.00 C ATOM 717 CG PRO A 52 4.724 17.145 -5.765 1.00 0.00 C ATOM 718 CD PRO A 52 4.591 16.738 -4.285 1.00 0.00 C ATOM 0 HA PRO A 52 1.625 18.147 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.097 17.558 -7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.499 18.919 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.907 16.272 -6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.567 17.822 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.879 15.698 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.232 17.345 -3.645 1.00 0.00 H new ATOM 726 N VAL A 53 2.182 15.069 -5.897 1.00 0.00 N ATOM 727 CA VAL A 53 1.454 13.876 -6.419 1.00 0.00 C ATOM 728 C VAL A 53 1.052 12.977 -5.243 1.00 0.00 C ATOM 729 O VAL A 53 1.676 11.966 -4.990 1.00 0.00 O ATOM 730 CB VAL A 53 2.379 13.098 -7.356 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.550 12.138 -8.210 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.122 14.078 -8.268 1.00 0.00 C ATOM 0 H VAL A 53 3.180 14.932 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 53 0.562 14.193 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 53 3.099 12.531 -6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.209 11.583 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.019 11.440 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.830 12.705 -8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.782 13.524 -8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.401 14.645 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.713 14.764 -7.661 1.00 0.00 H new ATOM 742 N ASP A 54 0.033 13.343 -4.505 1.00 0.00 N ATOM 743 CA ASP A 54 -0.370 12.507 -3.337 1.00 0.00 C ATOM 744 C ASP A 54 -1.434 11.462 -3.730 1.00 0.00 C ATOM 745 O ASP A 54 -1.326 10.317 -3.338 1.00 0.00 O ATOM 746 CB ASP A 54 -0.905 13.418 -2.223 1.00 0.00 C ATOM 747 CG ASP A 54 0.240 14.278 -1.676 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.302 13.730 -1.433 1.00 0.00 O ATOM 749 OD2 ASP A 54 0.031 15.468 -1.509 1.00 0.00 O ATOM 0 H ASP A 54 -0.532 14.178 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 54 0.506 11.964 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.701 14.055 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.338 12.817 -1.423 1.00 0.00 H new ATOM 754 N PRO A 55 -2.436 11.872 -4.475 1.00 0.00 N ATOM 755 CA PRO A 55 -3.524 10.966 -4.901 1.00 0.00 C ATOM 756 C PRO A 55 -3.106 10.155 -6.134 1.00 0.00 C ATOM 757 O PRO A 55 -3.216 10.618 -7.251 1.00 0.00 O ATOM 758 CB PRO A 55 -4.661 11.924 -5.264 1.00 0.00 C ATOM 759 CG PRO A 55 -3.998 13.286 -5.586 1.00 0.00 C ATOM 760 CD PRO A 55 -2.590 13.258 -4.960 1.00 0.00 C ATOM 0 HA PRO A 55 -3.795 10.242 -4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.223 11.553 -6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.366 12.021 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.939 13.441 -6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.586 14.108 -5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.824 13.511 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.502 13.977 -4.145 1.00 0.00 H new ATOM 768 N VAL A 56 -2.613 8.956 -5.950 1.00 0.00 N ATOM 769 CA VAL A 56 -2.187 8.157 -7.121 1.00 0.00 C ATOM 770 C VAL A 56 -2.677 6.719 -7.001 1.00 0.00 C ATOM 771 O VAL A 56 -2.023 5.886 -6.404 1.00 0.00 O ATOM 772 CB VAL A 56 -0.680 8.111 -7.149 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.225 7.551 -8.499 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.107 9.517 -6.956 1.00 0.00 C ATOM 0 H VAL A 56 -2.491 8.505 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.599 8.616 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.321 7.472 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.864 7.514 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.626 6.546 -8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.588 8.194 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.982 9.472 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.460 10.167 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.435 9.915 -5.995 1.00 0.00 H new ATOM 784 N MET A 57 -3.794 6.403 -7.571 1.00 0.00 N ATOM 785 CA MET A 57 -4.268 4.997 -7.483 1.00 0.00 C ATOM 786 C MET A 57 -4.878 4.553 -8.814 1.00 0.00 C ATOM 787 O MET A 57 -5.643 5.267 -9.432 1.00 0.00 O ATOM 788 CB MET A 57 -5.290 4.869 -6.351 1.00 0.00 C ATOM 789 CG MET A 57 -6.583 5.590 -6.739 1.00 0.00 C ATOM 790 SD MET A 57 -7.636 4.480 -7.707 1.00 0.00 S ATOM 791 CE MET A 57 -7.719 3.134 -6.501 1.00 0.00 C ATOM 0 H MET A 57 -4.396 7.043 -8.089 1.00 0.00 H new ATOM 0 HA MET A 57 -3.419 4.348 -7.268 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.495 3.817 -6.150 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.886 5.296 -5.433 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.111 5.918 -5.843 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.352 6.484 -7.318 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.730 2.726 -6.480 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.017 2.349 -6.782 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.461 3.515 -5.513 1.00 0.00 H new ATOM 801 N VAL A 58 -4.533 3.372 -9.261 1.00 0.00 N ATOM 802 CA VAL A 58 -5.077 2.867 -10.552 1.00 0.00 C ATOM 803 C VAL A 58 -5.590 1.433 -10.377 1.00 0.00 C ATOM 804 O VAL A 58 -5.168 0.709 -9.489 1.00 0.00 O ATOM 805 CB VAL A 58 -3.989 2.866 -11.629 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.601 3.279 -12.970 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.877 3.852 -11.257 1.00 0.00 C ATOM 0 H VAL A 58 -3.895 2.735 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.892 3.523 -10.857 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.567 1.864 -11.706 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.828 3.279 -13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.385 2.574 -13.245 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.026 4.279 -12.883 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.109 3.843 -12.030 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.294 4.855 -11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.436 3.560 -10.304 1.00 0.00 H new ATOM 817 N ASP A 59 -6.492 1.019 -11.227 1.00 0.00 N ATOM 818 CA ASP A 59 -7.047 -0.362 -11.138 1.00 0.00 C ATOM 819 C ASP A 59 -6.615 -1.165 -12.369 1.00 0.00 C ATOM 820 O ASP A 59 -6.736 -0.710 -13.490 1.00 0.00 O ATOM 821 CB ASP A 59 -8.576 -0.283 -11.084 1.00 0.00 C ATOM 822 CG ASP A 59 -9.181 -1.655 -11.396 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.605 -2.644 -10.974 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.209 -1.692 -12.051 1.00 0.00 O ATOM 0 H ASP A 59 -6.871 1.585 -11.986 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.674 -0.854 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.897 0.049 -10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.936 0.454 -11.801 1.00 0.00 H new ATOM 829 N ASN A 60 -6.098 -2.348 -12.172 1.00 0.00 N ATOM 830 CA ASN A 60 -5.650 -3.166 -13.339 1.00 0.00 C ATOM 831 C ASN A 60 -6.794 -4.036 -13.871 1.00 0.00 C ATOM 832 O ASN A 60 -6.712 -4.573 -14.959 1.00 0.00 O ATOM 833 CB ASN A 60 -4.484 -4.059 -12.913 1.00 0.00 C ATOM 834 CG ASN A 60 -3.378 -3.994 -13.967 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.278 -4.859 -14.814 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.536 -2.997 -13.949 1.00 0.00 N ATOM 0 H ASN A 60 -5.966 -2.783 -11.259 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.333 -2.492 -14.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.099 -3.735 -11.946 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.825 -5.087 -12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.794 -2.944 -14.646 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.620 -2.271 -13.238 1.00 0.00 H new ATOM 843 N GLY A 61 -7.863 -4.180 -13.138 1.00 0.00 N ATOM 844 CA GLY A 61 -8.992 -5.009 -13.640 1.00 0.00 C ATOM 845 C GLY A 61 -8.683 -6.498 -13.446 1.00 0.00 C ATOM 846 O GLY A 61 -9.514 -7.348 -13.694 1.00 0.00 O ATOM 0 H GLY A 61 -8.003 -3.762 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.908 -4.748 -13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.164 -4.800 -14.696 1.00 0.00 H new ATOM 850 N ASP A 62 -7.496 -6.823 -13.009 1.00 0.00 N ATOM 851 CA ASP A 62 -7.147 -8.260 -12.808 1.00 0.00 C ATOM 852 C ASP A 62 -7.368 -8.642 -11.343 1.00 0.00 C ATOM 853 O ASP A 62 -6.647 -9.446 -10.785 1.00 0.00 O ATOM 854 CB ASP A 62 -5.679 -8.484 -13.177 1.00 0.00 C ATOM 855 CG ASP A 62 -4.792 -7.597 -12.301 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.331 -6.737 -11.625 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.588 -7.793 -12.322 1.00 0.00 O ATOM 0 H ASP A 62 -6.755 -6.159 -12.783 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.781 -8.879 -13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.414 -9.532 -13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.518 -8.251 -14.230 1.00 0.00 H new ATOM 862 N GLY A 63 -8.356 -8.068 -10.711 1.00 0.00 N ATOM 863 CA GLY A 63 -8.622 -8.394 -9.279 1.00 0.00 C ATOM 864 C GLY A 63 -7.532 -7.780 -8.392 1.00 0.00 C ATOM 865 O GLY A 63 -7.554 -7.913 -7.180 1.00 0.00 O ATOM 0 H GLY A 63 -8.992 -7.386 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.600 -8.012 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.648 -9.475 -9.142 1.00 0.00 H new ATOM 869 N THR A 64 -6.582 -7.106 -8.982 1.00 0.00 N ATOM 870 CA THR A 64 -5.497 -6.488 -8.174 1.00 0.00 C ATOM 871 C THR A 64 -5.363 -5.011 -8.540 1.00 0.00 C ATOM 872 O THR A 64 -5.654 -4.608 -9.649 1.00 0.00 O ATOM 873 CB THR A 64 -4.178 -7.196 -8.460 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.821 -6.996 -9.821 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.322 -8.692 -8.178 1.00 0.00 C ATOM 0 H THR A 64 -6.512 -6.958 -9.989 1.00 0.00 H new ATOM 0 HA THR A 64 -5.741 -6.583 -7.116 1.00 0.00 H new ATOM 0 HB THR A 64 -3.400 -6.786 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.551 -6.536 -10.286 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.377 -9.194 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.592 -8.841 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.101 -9.109 -8.816 1.00 0.00 H new ATOM 883 N TYR A 65 -4.940 -4.197 -7.614 1.00 0.00 N ATOM 884 CA TYR A 65 -4.810 -2.744 -7.911 1.00 0.00 C ATOM 885 C TYR A 65 -3.399 -2.251 -7.604 1.00 0.00 C ATOM 886 O TYR A 65 -2.689 -2.822 -6.800 1.00 0.00 O ATOM 887 CB TYR A 65 -5.830 -1.979 -7.073 1.00 0.00 C ATOM 888 CG TYR A 65 -7.198 -2.383 -7.544 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.611 -3.715 -7.425 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.038 -1.441 -8.136 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.860 -4.101 -7.899 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.294 -1.825 -8.603 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.707 -3.157 -8.488 1.00 0.00 C ATOM 894 OH TYR A 65 -10.945 -3.541 -8.960 1.00 0.00 O ATOM 0 H TYR A 65 -4.679 -4.474 -6.667 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.998 -2.575 -8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.706 -2.209 -6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.688 -0.904 -7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.959 -4.443 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.716 -0.415 -8.233 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.176 -5.130 -7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.949 -1.094 -9.054 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.407 -2.764 -9.338 1.00 0.00 H new ATOM 904 N ASP A 66 -2.985 -1.191 -8.247 1.00 0.00 N ATOM 905 CA ASP A 66 -1.616 -0.663 -7.997 1.00 0.00 C ATOM 906 C ASP A 66 -1.700 0.826 -7.669 1.00 0.00 C ATOM 907 O ASP A 66 -2.243 1.608 -8.425 1.00 0.00 O ATOM 908 CB ASP A 66 -0.754 -0.862 -9.246 1.00 0.00 C ATOM 909 CG ASP A 66 0.593 -0.158 -9.058 1.00 0.00 C ATOM 910 OD1 ASP A 66 0.606 1.062 -9.051 1.00 0.00 O ATOM 911 OD2 ASP A 66 1.589 -0.851 -8.928 1.00 0.00 O ATOM 0 H ASP A 66 -3.535 -0.671 -8.931 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.168 -1.197 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.598 -1.926 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.266 -0.462 -10.121 1.00 0.00 H new ATOM 916 N VAL A 67 -1.165 1.224 -6.551 1.00 0.00 N ATOM 917 CA VAL A 67 -1.212 2.663 -6.181 1.00 0.00 C ATOM 918 C VAL A 67 0.235 3.170 -6.049 1.00 0.00 C ATOM 919 O VAL A 67 1.124 2.410 -5.715 1.00 0.00 O ATOM 920 CB VAL A 67 -1.986 2.809 -4.864 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.216 1.903 -4.888 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.122 2.390 -3.706 1.00 0.00 C ATOM 0 H VAL A 67 -0.698 0.616 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.722 3.256 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.281 3.852 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.764 2.008 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.861 2.187 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.902 0.866 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.682 2.498 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.825 1.349 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.233 3.019 -3.669 1.00 0.00 H new ATOM 932 N GLU A 68 0.504 4.427 -6.340 1.00 0.00 N ATOM 933 CA GLU A 68 1.930 4.894 -6.253 1.00 0.00 C ATOM 934 C GLU A 68 2.052 6.399 -6.005 1.00 0.00 C ATOM 935 O GLU A 68 1.578 7.200 -6.765 1.00 0.00 O ATOM 936 CB GLU A 68 2.630 4.618 -7.576 1.00 0.00 C ATOM 937 CG GLU A 68 2.123 3.306 -8.174 1.00 0.00 C ATOM 938 CD GLU A 68 2.706 3.129 -9.577 1.00 0.00 C ATOM 939 OE1 GLU A 68 3.320 4.064 -10.063 1.00 0.00 O ATOM 940 OE2 GLU A 68 2.530 2.063 -10.142 1.00 0.00 O ATOM 0 H GLU A 68 -0.179 5.129 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 68 2.377 4.357 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.448 5.438 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.708 4.564 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.413 2.468 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.034 3.311 -8.219 1.00 0.00 H new ATOM 947 N PHE A 69 2.780 6.784 -5.008 1.00 0.00 N ATOM 948 CA PHE A 69 3.009 8.240 -4.766 1.00 0.00 C ATOM 949 C PHE A 69 4.511 8.426 -4.499 1.00 0.00 C ATOM 950 O PHE A 69 5.201 7.487 -4.129 1.00 0.00 O ATOM 951 CB PHE A 69 2.166 8.763 -3.582 1.00 0.00 C ATOM 952 CG PHE A 69 2.648 8.154 -2.305 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.599 6.772 -2.122 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.141 8.982 -1.294 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.046 6.218 -0.924 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.587 8.427 -0.098 1.00 0.00 C ATOM 957 CZ PHE A 69 3.537 7.041 0.081 1.00 0.00 C ATOM 0 H PHE A 69 3.232 6.157 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 69 2.698 8.817 -5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.236 9.849 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.115 8.519 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.216 6.134 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.176 10.052 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.011 5.149 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.969 9.063 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.883 6.607 1.008 1.00 0.00 H new ATOM 967 N GLU A 70 5.049 9.595 -4.720 1.00 0.00 N ATOM 968 CA GLU A 70 6.515 9.769 -4.497 1.00 0.00 C ATOM 969 C GLU A 70 6.832 11.223 -4.088 1.00 0.00 C ATOM 970 O GLU A 70 6.903 12.102 -4.923 1.00 0.00 O ATOM 971 CB GLU A 70 7.250 9.407 -5.789 1.00 0.00 C ATOM 972 CG GLU A 70 6.968 10.459 -6.863 1.00 0.00 C ATOM 973 CD GLU A 70 6.818 9.773 -8.222 1.00 0.00 C ATOM 974 OE1 GLU A 70 6.941 8.561 -8.269 1.00 0.00 O ATOM 975 OE2 GLU A 70 6.584 10.474 -9.194 1.00 0.00 O ATOM 0 H GLU A 70 4.548 10.424 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 70 6.843 9.116 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.322 9.344 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.929 8.425 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.059 11.009 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.780 11.185 -6.898 1.00 0.00 H new ATOM 982 N PRO A 71 7.005 11.429 -2.802 1.00 0.00 N ATOM 983 CA PRO A 71 7.310 12.762 -2.229 1.00 0.00 C ATOM 984 C PRO A 71 8.803 13.117 -2.355 1.00 0.00 C ATOM 985 O PRO A 71 9.610 12.322 -2.792 1.00 0.00 O ATOM 986 CB PRO A 71 6.934 12.602 -0.754 1.00 0.00 C ATOM 987 CG PRO A 71 6.995 11.086 -0.447 1.00 0.00 C ATOM 988 CD PRO A 71 6.898 10.353 -1.797 1.00 0.00 C ATOM 0 HA PRO A 71 6.774 13.561 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.623 13.155 -0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.936 12.997 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.924 10.832 0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.178 10.792 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.697 9.621 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.956 9.813 -1.890 1.00 0.00 H new ATOM 996 N LYS A 72 9.164 14.321 -1.967 1.00 0.00 N ATOM 997 CA LYS A 72 10.595 14.759 -2.049 1.00 0.00 C ATOM 998 C LYS A 72 10.998 15.523 -0.777 1.00 0.00 C ATOM 999 O LYS A 72 11.852 16.383 -0.815 1.00 0.00 O ATOM 1000 CB LYS A 72 10.772 15.685 -3.246 1.00 0.00 C ATOM 1001 CG LYS A 72 10.054 15.094 -4.461 1.00 0.00 C ATOM 1002 CD LYS A 72 8.776 15.888 -4.737 1.00 0.00 C ATOM 1003 CE LYS A 72 8.241 15.525 -6.123 1.00 0.00 C ATOM 1004 NZ LYS A 72 9.258 15.871 -7.155 1.00 0.00 N ATOM 0 H LYS A 72 8.523 15.022 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 72 11.223 13.874 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.370 16.672 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.832 15.815 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.708 15.123 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.812 14.047 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.027 15.668 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.980 16.957 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.010 14.461 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.312 16.062 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.786 16.033 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.764 16.733 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.936 15.088 -7.251 1.00 0.00 H new ATOM 1018 N GLU A 73 10.408 15.226 0.349 1.00 0.00 N ATOM 1019 CA GLU A 73 10.790 15.935 1.592 1.00 0.00 C ATOM 1020 C GLU A 73 10.494 15.014 2.774 1.00 0.00 C ATOM 1021 O GLU A 73 10.344 13.821 2.619 1.00 0.00 O ATOM 1022 CB GLU A 73 9.976 17.229 1.707 1.00 0.00 C ATOM 1023 CG GLU A 73 8.496 16.894 1.895 1.00 0.00 C ATOM 1024 CD GLU A 73 7.902 17.794 2.980 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.623 18.126 3.907 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.737 18.136 2.865 1.00 0.00 O ATOM 0 H GLU A 73 9.678 14.522 0.457 1.00 0.00 H new ATOM 0 HA GLU A 73 11.849 16.191 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.334 17.821 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.110 17.835 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.959 17.034 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.382 15.847 2.174 1.00 0.00 H new ATOM 1033 N ALA A 74 10.369 15.561 3.943 1.00 0.00 N ATOM 1034 CA ALA A 74 10.034 14.723 5.126 1.00 0.00 C ATOM 1035 C ALA A 74 8.509 14.706 5.228 1.00 0.00 C ATOM 1036 O ALA A 74 7.876 15.742 5.263 1.00 0.00 O ATOM 1037 CB ALA A 74 10.652 15.328 6.388 1.00 0.00 C ATOM 0 H ALA A 74 10.484 16.556 4.135 1.00 0.00 H new ATOM 0 HA ALA A 74 10.427 13.712 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.402 14.708 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.735 15.374 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.260 16.334 6.539 1.00 0.00 H new ATOM 1043 N GLY A 75 7.905 13.553 5.209 1.00 0.00 N ATOM 1044 CA GLY A 75 6.417 13.511 5.230 1.00 0.00 C ATOM 1045 C GLY A 75 5.908 12.149 5.691 1.00 0.00 C ATOM 1046 O GLY A 75 6.617 11.167 5.686 1.00 0.00 O ATOM 0 H GLY A 75 8.371 12.646 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.038 14.287 5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.031 13.728 4.234 1.00 0.00 H new ATOM 1050 N ASP A 76 4.669 12.092 6.083 1.00 0.00 N ATOM 1051 CA ASP A 76 4.074 10.809 6.538 1.00 0.00 C ATOM 1052 C ASP A 76 3.020 10.409 5.517 1.00 0.00 C ATOM 1053 O ASP A 76 2.534 11.227 4.760 1.00 0.00 O ATOM 1054 CB ASP A 76 3.427 10.994 7.912 1.00 0.00 C ATOM 1055 CG ASP A 76 2.803 12.388 7.998 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.905 12.662 7.219 1.00 0.00 O ATOM 1057 OD2 ASP A 76 3.234 13.157 8.841 1.00 0.00 O ATOM 0 H ASP A 76 4.035 12.891 6.108 1.00 0.00 H new ATOM 0 HA ASP A 76 4.839 10.037 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.664 10.232 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.173 10.869 8.697 1.00 0.00 H new ATOM 1062 N TYR A 77 2.695 9.157 5.455 1.00 0.00 N ATOM 1063 CA TYR A 77 1.709 8.709 4.438 1.00 0.00 C ATOM 1064 C TYR A 77 0.444 8.225 5.099 1.00 0.00 C ATOM 1065 O TYR A 77 0.463 7.513 6.080 1.00 0.00 O ATOM 1066 CB TYR A 77 2.254 7.522 3.651 1.00 0.00 C ATOM 1067 CG TYR A 77 3.659 7.773 3.215 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.084 9.070 2.943 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.527 6.694 3.047 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.388 9.293 2.496 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.828 6.911 2.602 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.264 8.213 2.323 1.00 0.00 C ATOM 1073 OH TYR A 77 7.552 8.432 1.882 1.00 0.00 O ATOM 0 H TYR A 77 3.065 8.424 6.060 1.00 0.00 H new ATOM 0 HA TYR A 77 1.515 9.563 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.215 6.623 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.626 7.339 2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.408 9.901 3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.190 5.691 3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.721 10.298 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.501 6.076 2.472 1.00 0.00 H new ATOM 0 HH TYR A 77 7.877 9.287 2.233 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.656 8.559 4.515 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.946 8.072 5.034 1.00 0.00 C ATOM 1085 C VAL A 78 -2.534 7.209 3.940 1.00 0.00 C ATOM 1086 O VAL A 78 -2.576 7.598 2.775 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.872 9.232 5.373 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.739 10.321 4.312 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.315 8.730 5.432 1.00 0.00 C ATOM 0 H VAL A 78 -0.718 9.156 3.690 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.815 7.507 5.957 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.598 9.647 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.403 11.150 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.709 10.677 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.010 9.915 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.979 9.560 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.595 8.312 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.401 7.960 6.199 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.919 6.019 4.282 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.434 5.099 3.233 1.00 0.00 C ATOM 1101 C ILE A 79 -4.925 4.852 3.358 1.00 0.00 C ATOM 1102 O ILE A 79 -5.542 5.015 4.389 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.698 3.752 3.291 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.566 3.800 4.326 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.108 3.441 1.915 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.542 4.860 3.915 1.00 0.00 C ATOM 0 H ILE A 79 -2.902 5.643 5.230 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.251 5.587 2.276 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.407 2.976 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.970 4.032 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.085 2.825 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.584 2.486 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.910 3.388 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.408 4.228 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.262 4.894 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.130 4.608 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.028 5.834 3.863 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.487 4.439 2.271 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.923 4.121 2.222 1.00 0.00 C ATOM 1120 C ASN A 80 -7.104 3.026 1.172 1.00 0.00 C ATOM 1121 O ASN A 80 -6.872 3.228 -0.002 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.713 5.359 1.833 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.152 6.579 2.566 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -6.119 7.102 2.199 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -7.795 7.057 3.598 1.00 0.00 N ATOM 0 H ASN A 80 -4.994 4.305 1.388 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.283 3.785 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.659 5.513 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.765 5.224 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.429 7.869 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.663 6.618 3.906 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.502 1.869 1.599 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.699 0.726 0.666 1.00 0.00 C ATOM 1134 C LEU A 81 -9.000 0.061 1.068 1.00 0.00 C ATOM 1135 O LEU A 81 -9.142 -0.398 2.178 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.525 -0.250 0.813 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.772 -1.554 0.042 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.471 -2.550 0.957 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.640 -1.301 -1.188 1.00 0.00 C ATOM 0 H LEU A 81 -7.705 1.659 2.576 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.740 1.050 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.612 0.221 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.368 -0.475 1.868 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.813 -1.954 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.649 -3.479 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.842 -2.751 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.423 -2.134 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.802 -2.239 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.600 -0.890 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.139 -0.593 -1.848 1.00 0.00 H new ATOM 1151 N THR A 82 -9.973 0.060 0.212 1.00 0.00 N ATOM 1152 CA THR A 82 -11.292 -0.513 0.623 1.00 0.00 C ATOM 1153 C THR A 82 -11.855 -1.510 -0.389 1.00 0.00 C ATOM 1154 O THR A 82 -11.850 -1.283 -1.583 1.00 0.00 O ATOM 1155 CB THR A 82 -12.274 0.652 0.784 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.047 1.619 -0.237 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.070 1.303 2.148 1.00 0.00 C ATOM 0 H THR A 82 -9.924 0.422 -0.740 1.00 0.00 H new ATOM 0 HA THR A 82 -11.149 -1.062 1.554 1.00 0.00 H new ATOM 0 HB THR A 82 -13.294 0.275 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.359 1.290 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.768 2.132 2.264 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.247 0.567 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.049 1.676 2.224 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.380 -2.608 0.105 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.995 -3.625 -0.815 1.00 0.00 C ATOM 1167 C LEU A 83 -14.267 -4.197 -0.176 1.00 0.00 C ATOM 1168 O LEU A 83 -14.264 -5.310 0.301 1.00 0.00 O ATOM 1169 CB LEU A 83 -12.004 -4.767 -1.085 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.488 -5.638 -2.265 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.582 -6.599 -1.793 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.060 -4.752 -3.373 1.00 0.00 C ATOM 0 H LEU A 83 -12.410 -2.844 1.097 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.244 -3.139 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.019 -4.356 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.897 -5.382 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.638 -6.203 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.917 -7.209 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.186 -7.245 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.423 -6.028 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.398 -5.376 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.901 -4.179 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.288 -4.068 -3.727 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.338 -3.430 -0.166 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.650 -3.876 0.424 1.00 0.00 C ATOM 1186 C ASP A 84 -17.295 -2.692 1.132 1.00 0.00 C ATOM 1187 O ASP A 84 -18.488 -2.660 1.366 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.488 -5.038 1.416 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.467 -6.362 0.648 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.824 -6.350 -0.519 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.098 -7.362 1.238 1.00 0.00 O ATOM 0 H ASP A 84 -15.358 -2.487 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.277 -4.236 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.565 -4.920 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.308 -5.034 2.134 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.501 -1.724 1.495 1.00 0.00 N ATOM 1197 CA GLY A 85 -17.037 -0.541 2.213 1.00 0.00 C ATOM 1198 C GLY A 85 -16.173 -0.272 3.452 1.00 0.00 C ATOM 1199 O GLY A 85 -16.456 0.619 4.228 1.00 0.00 O ATOM 0 H GLY A 85 -15.496 -1.704 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.035 0.330 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.072 -0.717 2.507 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.114 -1.025 3.647 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.249 -0.784 4.829 1.00 0.00 C ATOM 1205 C ASP A 86 -12.801 -0.727 4.355 1.00 0.00 C ATOM 1206 O ASP A 86 -12.513 -0.989 3.204 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.414 -1.925 5.835 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.740 -1.761 6.581 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -16.086 -0.633 6.890 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -16.386 -2.766 6.829 1.00 0.00 O ATOM 0 H ASP A 86 -14.820 -1.789 3.039 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.528 0.152 5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.391 -2.885 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.584 -1.923 6.542 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.882 -0.394 5.212 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.466 -0.334 4.764 1.00 0.00 C ATOM 1217 C ASN A 87 -9.710 -1.541 5.308 1.00 0.00 C ATOM 1218 O ASN A 87 -10.095 -2.136 6.294 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.804 0.958 5.264 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.600 1.545 6.434 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.114 2.643 6.344 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.729 0.854 7.533 1.00 0.00 N ATOM 0 H ASN A 87 -12.046 -0.163 6.192 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.438 -0.344 3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.781 0.752 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.748 1.684 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.261 1.235 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.298 -0.067 7.610 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.639 -1.919 4.665 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.873 -3.098 5.147 1.00 0.00 C ATOM 1231 C VAL A 88 -7.237 -2.769 6.509 1.00 0.00 C ATOM 1232 O VAL A 88 -7.289 -1.644 6.967 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.811 -3.470 4.105 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.643 -4.216 4.759 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.465 -4.383 3.070 1.00 0.00 C ATOM 0 H VAL A 88 -8.265 -1.464 3.832 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.534 -3.954 5.280 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.424 -2.562 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.903 -4.469 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.184 -3.581 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.011 -5.129 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.730 -4.663 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.840 -5.280 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.293 -3.858 2.593 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.674 -3.744 7.183 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.083 -3.486 8.536 1.00 0.00 C ATOM 1247 C ASN A 89 -4.684 -2.863 8.438 1.00 0.00 C ATOM 1248 O ASN A 89 -3.891 -2.961 9.353 1.00 0.00 O ATOM 1249 CB ASN A 89 -5.995 -4.804 9.307 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.100 -4.529 10.808 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -5.305 -3.795 11.358 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -7.054 -5.092 11.499 1.00 0.00 N ATOM 0 H ASN A 89 -6.598 -4.707 6.855 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.730 -2.780 9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.795 -5.475 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.053 -5.305 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.131 -4.915 12.501 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.722 -5.709 11.037 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.376 -2.218 7.355 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.030 -1.581 7.223 1.00 0.00 C ATOM 1261 C GLY A 90 -3.131 -0.352 6.312 1.00 0.00 C ATOM 1262 O GLY A 90 -2.150 0.106 5.761 1.00 0.00 O ATOM 0 H GLY A 90 -4.993 -2.100 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.657 -1.289 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.317 -2.295 6.810 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.317 0.157 6.117 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.488 1.321 5.206 1.00 0.00 C ATOM 1268 C PHE A 91 -4.946 2.590 5.911 1.00 0.00 C ATOM 1269 O PHE A 91 -4.377 3.630 5.665 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.481 0.951 4.138 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.686 0.533 2.952 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.292 -0.794 2.823 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.317 1.477 2.002 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.529 -1.184 1.732 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.552 1.098 0.906 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.154 -0.239 0.765 1.00 0.00 C ATOM 0 H PHE A 91 -5.175 -0.184 6.550 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.509 1.546 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.130 0.143 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.124 1.797 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.579 -1.519 3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.625 2.506 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.224 -2.215 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.265 1.830 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.561 -0.541 -0.085 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.923 2.514 6.779 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.384 3.713 7.478 1.00 0.00 C ATOM 1288 C PRO A 92 -5.325 4.128 8.492 1.00 0.00 C ATOM 1289 O PRO A 92 -5.563 4.937 9.366 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.703 3.285 8.128 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.665 1.746 8.213 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.625 1.277 7.175 1.00 0.00 C ATOM 0 HA PRO A 92 -6.540 4.580 6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.809 3.726 9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.555 3.621 7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.388 1.419 9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.646 1.321 7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.937 0.548 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.104 0.800 6.320 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.136 3.590 8.358 1.00 0.00 N ATOM 1301 CA LYS A 93 -3.051 3.965 9.281 1.00 0.00 C ATOM 1302 C LYS A 93 -2.157 4.969 8.574 1.00 0.00 C ATOM 1303 O LYS A 93 -2.318 5.254 7.391 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.251 2.720 9.660 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.497 2.976 10.967 1.00 0.00 C ATOM 1306 CD LYS A 93 0.008 2.981 10.703 1.00 0.00 C ATOM 1307 CE LYS A 93 0.753 2.786 12.026 1.00 0.00 C ATOM 1308 NZ LYS A 93 2.058 3.501 11.971 1.00 0.00 N ATOM 0 H LYS A 93 -3.883 2.907 7.644 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.456 4.406 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.919 1.866 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.548 2.470 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.804 3.931 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.745 2.206 11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.269 2.186 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.305 3.922 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.153 3.166 12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.915 1.724 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.324 3.812 12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.789 2.861 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.974 4.330 11.348 1.00 0.00 H new ATOM 1322 N THR A 94 -1.226 5.519 9.284 1.00 0.00 N ATOM 1323 CA THR A 94 -0.332 6.513 8.666 1.00 0.00 C ATOM 1324 C THR A 94 1.109 6.073 8.813 1.00 0.00 C ATOM 1325 O THR A 94 1.580 5.786 9.896 1.00 0.00 O ATOM 1326 CB THR A 94 -0.527 7.858 9.352 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.905 8.203 9.326 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.287 8.916 8.618 1.00 0.00 C ATOM 0 H THR A 94 -1.047 5.321 10.268 1.00 0.00 H new ATOM 0 HA THR A 94 -0.570 6.603 7.606 1.00 0.00 H new ATOM 0 HB THR A 94 -0.192 7.799 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.034 9.068 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.151 9.882 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.342 8.643 8.640 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.049 8.981 7.583 1.00 0.00 H new ATOM 1336 N VAL A 95 1.823 6.041 7.730 1.00 0.00 N ATOM 1337 CA VAL A 95 3.251 5.645 7.820 1.00 0.00 C ATOM 1338 C VAL A 95 4.078 6.930 7.825 1.00 0.00 C ATOM 1339 O VAL A 95 3.634 7.956 7.350 1.00 0.00 O ATOM 1340 CB VAL A 95 3.617 4.721 6.650 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.121 4.708 6.413 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.183 3.298 6.981 1.00 0.00 C ATOM 0 H VAL A 95 1.486 6.269 6.795 1.00 0.00 H new ATOM 0 HA VAL A 95 3.454 5.083 8.731 1.00 0.00 H new ATOM 0 HB VAL A 95 3.113 5.090 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.352 4.046 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.461 5.717 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.628 4.352 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.441 2.637 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.692 2.963 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.105 3.275 7.142 1.00 0.00 H new ATOM 1352 N THR A 96 5.240 6.921 8.415 1.00 0.00 N ATOM 1353 CA THR A 96 6.015 8.192 8.495 1.00 0.00 C ATOM 1354 C THR A 96 7.367 8.121 7.781 1.00 0.00 C ATOM 1355 O THR A 96 8.096 7.153 7.860 1.00 0.00 O ATOM 1356 CB THR A 96 6.256 8.527 9.968 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.037 8.396 10.686 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.770 9.963 10.092 1.00 0.00 C ATOM 0 H THR A 96 5.682 6.105 8.839 1.00 0.00 H new ATOM 0 HA THR A 96 5.426 8.961 7.994 1.00 0.00 H new ATOM 0 HB THR A 96 6.998 7.842 10.379 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.189 8.608 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.941 10.199 11.142 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.705 10.064 9.541 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.031 10.651 9.681 1.00 0.00 H new ATOM 1366 N VAL A 97 7.707 9.201 7.132 1.00 0.00 N ATOM 1367 CA VAL A 97 9.017 9.333 6.435 1.00 0.00 C ATOM 1368 C VAL A 97 9.679 10.616 6.955 1.00 0.00 C ATOM 1369 O VAL A 97 9.052 11.656 7.025 1.00 0.00 O ATOM 1370 CB VAL A 97 8.805 9.413 4.914 1.00 0.00 C ATOM 1371 CG1 VAL A 97 9.958 10.160 4.281 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.811 8.015 4.303 1.00 0.00 C ATOM 0 H VAL A 97 7.110 10.024 7.054 1.00 0.00 H new ATOM 0 HA VAL A 97 9.651 8.468 6.632 1.00 0.00 H new ATOM 0 HB VAL A 97 7.853 9.913 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.807 10.216 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.009 11.168 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.890 9.635 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.660 8.088 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.769 7.535 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.009 7.422 4.743 1.00 0.00 H new ATOM 1382 N LYS A 98 10.921 10.554 7.349 1.00 0.00 N ATOM 1383 CA LYS A 98 11.575 11.780 7.899 1.00 0.00 C ATOM 1384 C LYS A 98 12.829 12.186 7.104 1.00 0.00 C ATOM 1385 O LYS A 98 12.855 13.257 6.531 1.00 0.00 O ATOM 1386 CB LYS A 98 11.954 11.541 9.361 1.00 0.00 C ATOM 1387 CG LYS A 98 11.019 12.338 10.272 1.00 0.00 C ATOM 1388 CD LYS A 98 11.813 12.898 11.453 1.00 0.00 C ATOM 1389 CE LYS A 98 11.967 11.817 12.523 1.00 0.00 C ATOM 1390 NZ LYS A 98 12.650 12.393 13.715 1.00 0.00 N ATOM 0 H LYS A 98 11.507 9.720 7.316 1.00 0.00 H new ATOM 0 HA LYS A 98 10.859 12.597 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.887 10.479 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.988 11.841 9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.556 13.151 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.213 11.699 10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.794 13.235 11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.302 13.766 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.989 11.426 12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.543 10.980 12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.755 11.658 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.589 12.745 13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.083 13.178 14.094 1.00 0.00 H new ATOM 1404 N PRO A 99 13.849 11.356 7.109 1.00 0.00 N ATOM 1405 CA PRO A 99 15.108 11.678 6.411 1.00 0.00 C ATOM 1406 C PRO A 99 14.965 11.530 4.894 1.00 0.00 C ATOM 1407 O PRO A 99 15.431 10.573 4.308 1.00 0.00 O ATOM 1408 CB PRO A 99 16.107 10.663 6.974 1.00 0.00 C ATOM 1409 CG PRO A 99 15.270 9.486 7.522 1.00 0.00 C ATOM 1410 CD PRO A 99 13.855 10.036 7.782 1.00 0.00 C ATOM 0 HA PRO A 99 15.419 12.711 6.570 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.794 10.323 6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.712 11.110 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.241 8.665 6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.708 9.093 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.090 9.377 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.655 10.132 8.849 1.00 0.00 H new ATOM 1418 N ALA A 100 14.336 12.478 4.251 1.00 0.00 N ATOM 1419 CA ALA A 100 14.183 12.391 2.771 1.00 0.00 C ATOM 1420 C ALA A 100 15.486 12.818 2.082 1.00 0.00 C ATOM 1421 O ALA A 100 15.973 12.125 1.211 1.00 0.00 O ATOM 1422 CB ALA A 100 13.044 13.301 2.307 1.00 0.00 C ATOM 0 H ALA A 100 13.924 13.304 4.685 1.00 0.00 H new ATOM 0 HA ALA A 100 13.953 11.359 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.940 13.231 1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.113 12.990 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.266 14.332 2.584 1.00 0.00 H new TER 1428 ALA A 100