USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 844 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 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 HIS : no HD1:sc= -2.14 K(o=-1.8,f=-2.7!) USER MOD Set 1.3: A 97 SER OG : rot -144:sc= 0.376 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.719 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.357 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00245 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 43:sc= 0.598 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 25:sc= 0.0458 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -4.1 K(o=-4.1,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0568) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.13 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 30:sc= 0.216 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 17:sc= -5.89! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.357 K(o=-0.36,f=1.1) USER MOD Single : A 69 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.6!) USER MOD Single : A 70 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-4.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3.3!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot -0:sc= 1.06 USER MOD Single : A 102 MET CE :methyl 147:sc= -0.634 (180deg=-4.23!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 120:sc= 0 USER MOD Single : A 111 SER OG : rot 100:sc= 0.00317 USER MOD Single : A 114 SER OG : rot -50:sc= 0.555 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.538 -35.659 -4.582 1.00 0.00 N ATOM 2 CA GLY A 1 5.676 -35.626 -3.682 1.00 0.00 C ATOM 3 C GLY A 1 6.882 -34.945 -4.297 1.00 0.00 C ATOM 4 O GLY A 1 7.397 -33.968 -3.753 1.00 0.00 O ATOM 0 H1 GLY A 1 3.740 -36.134 -4.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.264 -34.687 -4.831 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.793 -36.179 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.396 -35.105 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.942 -36.645 -3.400 1.00 0.00 H new ATOM 8 N SER A 2 7.335 -35.461 -5.435 1.00 0.00 N ATOM 9 CA SER A 2 8.492 -34.900 -6.122 1.00 0.00 C ATOM 10 C SER A 2 8.171 -33.520 -6.689 1.00 0.00 C ATOM 11 O SER A 2 7.327 -33.381 -7.574 1.00 0.00 O ATOM 12 CB SER A 2 8.946 -35.833 -7.246 1.00 0.00 C ATOM 13 OG SER A 2 7.946 -35.955 -8.242 1.00 0.00 O ATOM 0 H SER A 2 6.918 -36.267 -5.901 1.00 0.00 H new ATOM 0 HA SER A 2 9.299 -34.797 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.864 -35.450 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.177 -36.816 -6.836 1.00 0.00 H new ATOM 0 HG SER A 2 7.474 -35.101 -8.338 1.00 0.00 H new ATOM 19 N SER A 3 8.850 -32.502 -6.171 1.00 0.00 N ATOM 20 CA SER A 3 8.635 -31.132 -6.622 1.00 0.00 C ATOM 21 C SER A 3 9.469 -30.832 -7.864 1.00 0.00 C ATOM 22 O SER A 3 10.650 -31.170 -7.930 1.00 0.00 O ATOM 23 CB SER A 3 8.987 -30.144 -5.506 1.00 0.00 C ATOM 24 OG SER A 3 10.380 -30.144 -5.246 1.00 0.00 O ATOM 0 H SER A 3 9.553 -32.600 -5.439 1.00 0.00 H new ATOM 0 HA SER A 3 7.581 -31.021 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.667 -29.141 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.444 -30.407 -4.598 1.00 0.00 H new ATOM 0 HG SER A 3 10.579 -29.504 -4.531 1.00 0.00 H new ATOM 30 N GLY A 4 8.844 -30.191 -8.847 1.00 0.00 N ATOM 31 CA GLY A 4 9.543 -29.855 -10.075 1.00 0.00 C ATOM 32 C GLY A 4 10.327 -28.563 -9.961 1.00 0.00 C ATOM 33 O GLY A 4 11.480 -28.564 -9.530 1.00 0.00 O ATOM 0 H GLY A 4 7.867 -29.898 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.222 -30.667 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.822 -29.768 -10.888 1.00 0.00 H new ATOM 37 N SER A 5 9.700 -27.456 -10.349 1.00 0.00 N ATOM 38 CA SER A 5 10.349 -26.151 -10.293 1.00 0.00 C ATOM 39 C SER A 5 9.314 -25.033 -10.208 1.00 0.00 C ATOM 40 O SER A 5 8.114 -25.272 -10.340 1.00 0.00 O ATOM 41 CB SER A 5 11.238 -25.947 -11.521 1.00 0.00 C ATOM 42 OG SER A 5 12.553 -26.421 -11.283 1.00 0.00 O ATOM 0 H SER A 5 8.744 -27.437 -10.705 1.00 0.00 H new ATOM 0 HA SER A 5 10.968 -26.118 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.809 -26.470 -12.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.271 -24.888 -11.779 1.00 0.00 H new ATOM 0 HG SER A 5 12.518 -27.194 -10.682 1.00 0.00 H new ATOM 48 N SER A 6 9.789 -23.812 -9.987 1.00 0.00 N ATOM 49 CA SER A 6 8.906 -22.656 -9.882 1.00 0.00 C ATOM 50 C SER A 6 9.275 -21.593 -10.911 1.00 0.00 C ATOM 51 O SER A 6 10.264 -20.878 -10.754 1.00 0.00 O ATOM 52 CB SER A 6 8.974 -22.063 -8.473 1.00 0.00 C ATOM 53 OG SER A 6 8.010 -21.037 -8.304 1.00 0.00 O ATOM 0 H SER A 6 10.780 -23.597 -9.877 1.00 0.00 H new ATOM 0 HA SER A 6 7.887 -22.990 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.807 -22.848 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.971 -21.663 -8.291 1.00 0.00 H new ATOM 0 HG SER A 6 8.073 -20.676 -7.395 1.00 0.00 H new ATOM 59 N GLY A 7 8.472 -21.496 -11.967 1.00 0.00 N ATOM 60 CA GLY A 7 8.731 -20.520 -13.008 1.00 0.00 C ATOM 61 C GLY A 7 7.481 -20.153 -13.784 1.00 0.00 C ATOM 62 O GLY A 7 6.894 -20.997 -14.463 1.00 0.00 O ATOM 0 H GLY A 7 7.647 -22.076 -12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.154 -19.621 -12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.478 -20.916 -13.695 1.00 0.00 H new ATOM 66 N ILE A 8 7.070 -18.894 -13.681 1.00 0.00 N ATOM 67 CA ILE A 8 5.882 -18.419 -14.377 1.00 0.00 C ATOM 68 C ILE A 8 6.182 -18.132 -15.845 1.00 0.00 C ATOM 69 O ILE A 8 7.264 -17.669 -16.203 1.00 0.00 O ATOM 70 CB ILE A 8 5.316 -17.145 -13.722 1.00 0.00 C ATOM 71 CG1 ILE A 8 6.414 -16.088 -13.581 1.00 0.00 C ATOM 72 CG2 ILE A 8 4.710 -17.472 -12.365 1.00 0.00 C ATOM 73 CD1 ILE A 8 5.886 -14.710 -13.250 1.00 0.00 C ATOM 0 H ILE A 8 7.543 -18.184 -13.122 1.00 0.00 H new ATOM 0 HA ILE A 8 5.139 -19.213 -14.309 1.00 0.00 H new ATOM 0 HB ILE A 8 4.530 -16.743 -14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.109 -16.399 -12.801 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.980 -16.038 -14.511 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.314 -16.562 -11.914 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.904 -18.195 -12.491 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.477 -17.894 -11.716 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.719 -14.012 -13.165 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.214 -14.378 -14.041 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.344 -14.745 -12.305 1.00 0.00 H new ATOM 85 N PRO A 9 5.200 -18.414 -16.715 1.00 0.00 N ATOM 86 CA PRO A 9 5.335 -18.192 -18.158 1.00 0.00 C ATOM 87 C PRO A 9 5.362 -16.710 -18.516 1.00 0.00 C ATOM 88 O PRO A 9 4.590 -15.916 -17.978 1.00 0.00 O ATOM 89 CB PRO A 9 4.084 -18.858 -18.737 1.00 0.00 C ATOM 90 CG PRO A 9 3.091 -18.830 -17.627 1.00 0.00 C ATOM 91 CD PRO A 9 3.884 -18.968 -16.357 1.00 0.00 C ATOM 0 HA PRO A 9 6.270 -18.596 -18.547 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.717 -18.319 -19.610 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.291 -19.879 -19.057 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.524 -17.899 -17.634 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.371 -19.642 -17.727 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.426 -18.417 -15.535 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.958 -20.008 -16.041 1.00 0.00 H new ATOM 99 N GLY A 10 6.256 -16.343 -19.429 1.00 0.00 N ATOM 100 CA GLY A 10 6.366 -14.956 -19.845 1.00 0.00 C ATOM 101 C GLY A 10 6.448 -14.005 -18.668 1.00 0.00 C ATOM 102 O GLY A 10 6.464 -14.432 -17.514 1.00 0.00 O ATOM 0 H GLY A 10 6.906 -16.981 -19.888 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.252 -14.836 -20.468 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.505 -14.695 -20.461 1.00 0.00 H new ATOM 106 N SER A 11 6.504 -12.708 -18.960 1.00 0.00 N ATOM 107 CA SER A 11 6.591 -11.693 -17.918 1.00 0.00 C ATOM 108 C SER A 11 5.291 -11.618 -17.122 1.00 0.00 C ATOM 109 O SER A 11 4.204 -11.880 -17.636 1.00 0.00 O ATOM 110 CB SER A 11 6.907 -10.328 -18.531 1.00 0.00 C ATOM 111 OG SER A 11 5.872 -9.910 -19.405 1.00 0.00 O ATOM 0 H SER A 11 6.491 -12.337 -19.910 1.00 0.00 H new ATOM 0 HA SER A 11 7.396 -11.973 -17.239 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.038 -9.591 -17.738 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.849 -10.380 -19.077 1.00 0.00 H new ATOM 0 HG SER A 11 6.097 -9.034 -19.783 1.00 0.00 H new ATOM 117 N PRO A 12 5.405 -11.252 -15.837 1.00 0.00 N ATOM 118 CA PRO A 12 4.250 -11.132 -14.942 1.00 0.00 C ATOM 119 C PRO A 12 3.358 -9.950 -15.302 1.00 0.00 C ATOM 120 O PRO A 12 2.160 -9.955 -15.019 1.00 0.00 O ATOM 121 CB PRO A 12 4.888 -10.923 -13.566 1.00 0.00 C ATOM 122 CG PRO A 12 6.222 -10.326 -13.854 1.00 0.00 C ATOM 123 CD PRO A 12 6.671 -10.924 -15.158 1.00 0.00 C ATOM 0 HA PRO A 12 3.599 -12.005 -14.997 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.284 -10.261 -12.946 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.984 -11.865 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.156 -9.240 -13.925 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.931 -10.551 -13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.268 -10.220 -15.738 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.285 -11.811 -15.003 1.00 0.00 H new ATOM 131 N PHE A 13 3.949 -8.937 -15.929 1.00 0.00 N ATOM 132 CA PHE A 13 3.206 -7.747 -16.327 1.00 0.00 C ATOM 133 C PHE A 13 2.332 -8.034 -17.545 1.00 0.00 C ATOM 134 O PHE A 13 2.734 -8.753 -18.458 1.00 0.00 O ATOM 135 CB PHE A 13 4.170 -6.600 -16.637 1.00 0.00 C ATOM 136 CG PHE A 13 4.618 -5.848 -15.417 1.00 0.00 C ATOM 137 CD1 PHE A 13 3.726 -5.063 -14.703 1.00 0.00 C ATOM 138 CD2 PHE A 13 5.931 -5.925 -14.983 1.00 0.00 C ATOM 139 CE1 PHE A 13 4.136 -4.371 -13.580 1.00 0.00 C ATOM 140 CE2 PHE A 13 6.347 -5.233 -13.860 1.00 0.00 C ATOM 141 CZ PHE A 13 5.448 -4.457 -13.157 1.00 0.00 C ATOM 0 H PHE A 13 4.939 -8.917 -16.172 1.00 0.00 H new ATOM 0 HA PHE A 13 2.560 -7.457 -15.498 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.045 -7.000 -17.149 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.687 -5.906 -17.325 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.699 -4.992 -15.028 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.638 -6.533 -15.528 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.431 -3.763 -13.033 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.374 -5.300 -13.534 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.770 -3.918 -12.278 1.00 0.00 H new ATOM 151 N THR A 14 1.129 -7.466 -17.548 1.00 0.00 N ATOM 152 CA THR A 14 0.196 -7.661 -18.650 1.00 0.00 C ATOM 153 C THR A 14 -0.865 -6.565 -18.674 1.00 0.00 C ATOM 154 O THR A 14 -1.171 -5.964 -17.644 1.00 0.00 O ATOM 155 CB THR A 14 -0.502 -9.032 -18.561 1.00 0.00 C ATOM 156 OG1 THR A 14 -1.314 -9.245 -19.720 1.00 0.00 O ATOM 157 CG2 THR A 14 -1.362 -9.120 -17.309 1.00 0.00 C ATOM 0 H THR A 14 0.779 -6.868 -16.800 1.00 0.00 H new ATOM 0 HA THR A 14 0.781 -7.618 -19.569 1.00 0.00 H new ATOM 0 HB THR A 14 0.266 -9.804 -18.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.752 -10.119 -19.656 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.845 -10.096 -17.267 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.735 -8.987 -16.427 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.123 -8.340 -17.335 1.00 0.00 H new ATOM 165 N ALA A 15 -1.421 -6.312 -19.854 1.00 0.00 N ATOM 166 CA ALA A 15 -2.449 -5.290 -20.009 1.00 0.00 C ATOM 167 C ALA A 15 -3.326 -5.575 -21.223 1.00 0.00 C ATOM 168 O ALA A 15 -2.827 -5.899 -22.301 1.00 0.00 O ATOM 169 CB ALA A 15 -1.811 -3.914 -20.127 1.00 0.00 C ATOM 0 H ALA A 15 -1.177 -6.800 -20.716 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.083 -5.309 -19.123 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.590 -3.160 -20.242 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.232 -3.703 -19.228 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.153 -3.891 -20.996 1.00 0.00 H new ATOM 175 N LYS A 16 -4.637 -5.453 -21.042 1.00 0.00 N ATOM 176 CA LYS A 16 -5.585 -5.697 -22.122 1.00 0.00 C ATOM 177 C LYS A 16 -6.598 -4.561 -22.223 1.00 0.00 C ATOM 178 O LYS A 16 -6.886 -3.883 -21.237 1.00 0.00 O ATOM 179 CB LYS A 16 -6.313 -7.024 -21.900 1.00 0.00 C ATOM 180 CG LYS A 16 -6.733 -7.712 -23.188 1.00 0.00 C ATOM 181 CD LYS A 16 -6.756 -9.223 -23.031 1.00 0.00 C ATOM 182 CE LYS A 16 -7.912 -9.673 -22.149 1.00 0.00 C ATOM 183 NZ LYS A 16 -7.653 -11.003 -21.531 1.00 0.00 N ATOM 0 H LYS A 16 -5.067 -5.186 -20.156 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.027 -5.748 -23.057 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.665 -7.694 -21.335 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.197 -6.845 -21.289 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.722 -7.361 -23.483 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.045 -7.439 -23.988 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.841 -9.691 -24.012 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.814 -9.560 -22.598 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.079 -8.935 -21.365 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.825 -9.720 -22.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.463 -11.274 -20.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.518 -11.713 -22.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.796 -10.952 -20.944 1.00 0.00 H new ATOM 197 N ILE A 17 -7.135 -4.359 -23.422 1.00 0.00 N ATOM 198 CA ILE A 17 -8.118 -3.307 -23.651 1.00 0.00 C ATOM 199 C ILE A 17 -9.306 -3.448 -22.704 1.00 0.00 C ATOM 200 O ILE A 17 -10.019 -2.480 -22.436 1.00 0.00 O ATOM 201 CB ILE A 17 -8.630 -3.319 -25.103 1.00 0.00 C ATOM 202 CG1 ILE A 17 -9.346 -4.638 -25.402 1.00 0.00 C ATOM 203 CG2 ILE A 17 -7.477 -3.106 -26.072 1.00 0.00 C ATOM 204 CD1 ILE A 17 -10.106 -4.629 -26.711 1.00 0.00 C ATOM 0 H ILE A 17 -6.906 -4.910 -24.249 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.614 -2.359 -23.460 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.342 -2.503 -25.229 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.612 -5.444 -25.422 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.039 -4.858 -24.590 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.854 -3.117 -27.095 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.005 -2.145 -25.870 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.745 -3.904 -25.947 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.589 -5.595 -26.858 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.863 -3.845 -26.687 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.414 -4.440 -27.532 1.00 0.00 H new ATOM 216 N THR A 18 -9.512 -4.660 -22.198 1.00 0.00 N ATOM 217 CA THR A 18 -10.612 -4.929 -21.281 1.00 0.00 C ATOM 218 C THR A 18 -10.155 -4.823 -19.830 1.00 0.00 C ATOM 219 O THR A 18 -9.566 -5.757 -19.285 1.00 0.00 O ATOM 220 CB THR A 18 -11.212 -6.326 -21.518 1.00 0.00 C ATOM 221 OG1 THR A 18 -10.184 -7.321 -21.448 1.00 0.00 O ATOM 222 CG2 THR A 18 -11.899 -6.397 -22.873 1.00 0.00 C ATOM 0 H THR A 18 -8.931 -5.471 -22.408 1.00 0.00 H new ATOM 0 HA THR A 18 -11.377 -4.177 -21.474 1.00 0.00 H new ATOM 0 HB THR A 18 -11.953 -6.514 -20.741 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.594 -7.129 -20.690 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.315 -7.394 -23.018 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.701 -5.660 -22.914 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.174 -6.189 -23.660 1.00 0.00 H new ATOM 230 N ASP A 19 -10.431 -3.681 -19.209 1.00 0.00 N ATOM 231 CA ASP A 19 -10.051 -3.456 -17.819 1.00 0.00 C ATOM 232 C ASP A 19 -10.826 -4.381 -16.886 1.00 0.00 C ATOM 233 O ASP A 19 -11.818 -4.991 -17.284 1.00 0.00 O ATOM 234 CB ASP A 19 -10.298 -1.997 -17.432 1.00 0.00 C ATOM 235 CG ASP A 19 -9.354 -1.519 -16.346 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.463 -2.015 -15.205 1.00 0.00 O ATOM 237 OD2 ASP A 19 -8.507 -0.649 -16.637 1.00 0.00 O ATOM 0 H ASP A 19 -10.916 -2.897 -19.646 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.988 -3.677 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.183 -1.366 -18.313 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.327 -1.884 -17.091 1.00 0.00 H new ATOM 242 N ASP A 20 -10.363 -4.483 -15.645 1.00 0.00 N ATOM 243 CA ASP A 20 -11.012 -5.334 -14.655 1.00 0.00 C ATOM 244 C ASP A 20 -11.867 -4.504 -13.700 1.00 0.00 C ATOM 245 O ASP A 20 -13.030 -4.822 -13.457 1.00 0.00 O ATOM 246 CB ASP A 20 -9.967 -6.125 -13.867 1.00 0.00 C ATOM 247 CG ASP A 20 -9.023 -6.894 -14.769 1.00 0.00 C ATOM 248 OD1 ASP A 20 -9.362 -8.034 -15.151 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.943 -6.356 -15.095 1.00 0.00 O ATOM 0 H ASP A 20 -9.541 -3.987 -15.301 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.662 -6.032 -15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.392 -5.441 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.472 -6.821 -13.196 1.00 0.00 H new ATOM 254 N SER A 21 -11.280 -3.439 -13.164 1.00 0.00 N ATOM 255 CA SER A 21 -11.985 -2.566 -12.232 1.00 0.00 C ATOM 256 C SER A 21 -12.204 -3.264 -10.895 1.00 0.00 C ATOM 257 O SER A 21 -13.206 -3.032 -10.217 1.00 0.00 O ATOM 258 CB SER A 21 -13.329 -2.135 -12.822 1.00 0.00 C ATOM 259 OG SER A 21 -13.715 -0.862 -12.336 1.00 0.00 O ATOM 0 H SER A 21 -10.319 -3.160 -13.359 1.00 0.00 H new ATOM 0 HA SER A 21 -11.370 -1.682 -12.064 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.260 -2.107 -13.909 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.093 -2.871 -12.570 1.00 0.00 H new ATOM 0 HG SER A 21 -14.576 -0.609 -12.729 1.00 0.00 H new ATOM 265 N ARG A 22 -11.261 -4.122 -10.519 1.00 0.00 N ATOM 266 CA ARG A 22 -11.351 -4.855 -9.262 1.00 0.00 C ATOM 267 C ARG A 22 -12.029 -4.011 -8.187 1.00 0.00 C ATOM 268 O ARG A 22 -11.935 -2.784 -8.197 1.00 0.00 O ATOM 269 CB ARG A 22 -9.957 -5.275 -8.792 1.00 0.00 C ATOM 270 CG ARG A 22 -9.089 -5.853 -9.897 1.00 0.00 C ATOM 271 CD ARG A 22 -8.232 -4.782 -10.551 1.00 0.00 C ATOM 272 NE ARG A 22 -6.928 -4.654 -9.907 1.00 0.00 N ATOM 273 CZ ARG A 22 -6.125 -3.609 -10.073 1.00 0.00 C ATOM 274 NH1 ARG A 22 -6.491 -2.606 -10.860 1.00 0.00 N ATOM 275 NH2 ARG A 22 -4.953 -3.565 -9.452 1.00 0.00 N ATOM 0 H ARG A 22 -10.426 -4.327 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.954 -5.747 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.453 -4.410 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.058 -6.014 -7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.448 -6.633 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.722 -6.324 -10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.093 -5.023 -11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.753 -3.825 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.616 -5.409 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.391 -2.636 -11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.873 -1.805 -10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.668 -4.334 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.338 -2.762 -9.581 1.00 0.00 H new ATOM 289 N ARG A 23 -12.713 -4.678 -7.264 1.00 0.00 N ATOM 290 CA ARG A 23 -13.409 -3.990 -6.183 1.00 0.00 C ATOM 291 C ARG A 23 -12.448 -3.645 -5.050 1.00 0.00 C ATOM 292 O ARG A 23 -12.289 -2.477 -4.692 1.00 0.00 O ATOM 293 CB ARG A 23 -14.553 -4.856 -5.651 1.00 0.00 C ATOM 294 CG ARG A 23 -15.190 -4.312 -4.383 1.00 0.00 C ATOM 295 CD ARG A 23 -16.320 -3.345 -4.697 1.00 0.00 C ATOM 296 NE ARG A 23 -16.582 -2.429 -3.589 1.00 0.00 N ATOM 297 CZ ARG A 23 -15.727 -1.494 -3.192 1.00 0.00 C ATOM 298 NH1 ARG A 23 -14.561 -1.350 -3.808 1.00 0.00 N ATOM 299 NH2 ARG A 23 -16.037 -0.699 -2.176 1.00 0.00 N ATOM 0 H ARG A 23 -12.800 -5.694 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.820 -3.063 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.318 -4.946 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.177 -5.860 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.573 -5.138 -3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.434 -3.807 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.069 -2.772 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.226 -3.907 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.470 -2.512 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.319 -1.959 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.907 -0.630 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.932 -0.806 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.380 0.019 -1.871 1.00 0.00 H new ATOM 313 N CYS A 24 -11.811 -4.667 -4.489 1.00 0.00 N ATOM 314 CA CYS A 24 -10.866 -4.472 -3.396 1.00 0.00 C ATOM 315 C CYS A 24 -9.454 -4.256 -3.929 1.00 0.00 C ATOM 316 O CYS A 24 -9.066 -4.841 -4.942 1.00 0.00 O ATOM 317 CB CYS A 24 -10.891 -5.676 -2.453 1.00 0.00 C ATOM 318 SG CYS A 24 -10.390 -7.231 -3.229 1.00 0.00 S ATOM 0 H CYS A 24 -11.932 -5.639 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.165 -3.581 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.233 -5.476 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -11.898 -5.790 -2.053 1.00 0.00 H new ATOM 0 HG CYS A 24 -9.623 -6.980 -4.248 1.00 0.00 H new ATOM 324 N SER A 25 -8.689 -3.415 -3.242 1.00 0.00 N ATOM 325 CA SER A 25 -7.321 -3.118 -3.650 1.00 0.00 C ATOM 326 C SER A 25 -6.392 -4.282 -3.322 1.00 0.00 C ATOM 327 O SER A 25 -6.382 -4.784 -2.198 1.00 0.00 O ATOM 328 CB SER A 25 -6.826 -1.845 -2.960 1.00 0.00 C ATOM 329 OG SER A 25 -5.787 -1.233 -3.705 1.00 0.00 O ATOM 0 H SER A 25 -8.993 -2.927 -2.400 1.00 0.00 H new ATOM 0 HA SER A 25 -7.315 -2.964 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.654 -1.146 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.467 -2.086 -1.959 1.00 0.00 H new ATOM 0 HG SER A 25 -5.489 -0.421 -3.245 1.00 0.00 H new ATOM 335 N GLN A 26 -5.612 -4.706 -4.311 1.00 0.00 N ATOM 336 CA GLN A 26 -4.679 -5.811 -4.128 1.00 0.00 C ATOM 337 C GLN A 26 -3.275 -5.295 -3.832 1.00 0.00 C ATOM 338 O GLN A 26 -2.752 -4.442 -4.549 1.00 0.00 O ATOM 339 CB GLN A 26 -4.658 -6.699 -5.373 1.00 0.00 C ATOM 340 CG GLN A 26 -3.831 -7.964 -5.204 1.00 0.00 C ATOM 341 CD GLN A 26 -2.346 -7.721 -5.396 1.00 0.00 C ATOM 342 OE1 GLN A 26 -1.912 -7.264 -6.453 1.00 0.00 O ATOM 343 NE2 GLN A 26 -1.560 -8.026 -4.370 1.00 0.00 N ATOM 0 H GLN A 26 -5.608 -4.301 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.016 -6.401 -3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.681 -6.975 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.263 -6.126 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.002 -8.375 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.168 -8.713 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.964 -8.403 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.552 -7.884 -4.439 1.00 0.00 H new ATOM 352 N VAL A 27 -2.668 -5.820 -2.772 1.00 0.00 N ATOM 353 CA VAL A 27 -1.324 -5.412 -2.382 1.00 0.00 C ATOM 354 C VAL A 27 -0.489 -6.614 -1.952 1.00 0.00 C ATOM 355 O VAL A 27 -1.026 -7.643 -1.542 1.00 0.00 O ATOM 356 CB VAL A 27 -1.359 -4.388 -1.232 1.00 0.00 C ATOM 357 CG1 VAL A 27 -0.098 -3.537 -1.235 1.00 0.00 C ATOM 358 CG2 VAL A 27 -2.601 -3.516 -1.334 1.00 0.00 C ATOM 0 H VAL A 27 -3.086 -6.528 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.867 -4.949 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.400 -4.930 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.141 -2.820 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.774 -4.179 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.022 -3.002 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.610 -2.798 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.593 -2.982 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.491 -4.143 -1.277 1.00 0.00 H new ATOM 368 N LYS A 28 0.829 -6.476 -2.048 1.00 0.00 N ATOM 369 CA LYS A 28 1.741 -7.549 -1.669 1.00 0.00 C ATOM 370 C LYS A 28 2.131 -7.436 -0.198 1.00 0.00 C ATOM 371 O LYS A 28 2.749 -6.454 0.216 1.00 0.00 O ATOM 372 CB LYS A 28 2.995 -7.514 -2.545 1.00 0.00 C ATOM 373 CG LYS A 28 2.696 -7.450 -4.033 1.00 0.00 C ATOM 374 CD LYS A 28 2.214 -8.791 -4.562 1.00 0.00 C ATOM 375 CE LYS A 28 2.578 -8.975 -6.027 1.00 0.00 C ATOM 376 NZ LYS A 28 4.028 -9.266 -6.206 1.00 0.00 N ATOM 0 H LYS A 28 1.290 -5.631 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 28 1.228 -8.499 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.598 -6.650 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.595 -8.401 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.938 -6.690 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.593 -7.146 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.654 -9.595 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.133 -8.863 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.989 -9.790 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.317 -8.074 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.198 -9.599 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.579 -8.401 -6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.320 -10.001 -5.531 1.00 0.00 H new ATOM 390 N LEU A 29 1.770 -8.445 0.584 1.00 0.00 N ATOM 391 CA LEU A 29 2.084 -8.460 2.009 1.00 0.00 C ATOM 392 C LEU A 29 3.574 -8.697 2.235 1.00 0.00 C ATOM 393 O LEU A 29 4.183 -9.548 1.589 1.00 0.00 O ATOM 394 CB LEU A 29 1.270 -9.543 2.720 1.00 0.00 C ATOM 395 CG LEU A 29 1.098 -9.370 4.230 1.00 0.00 C ATOM 396 CD1 LEU A 29 0.110 -8.253 4.529 1.00 0.00 C ATOM 397 CD2 LEU A 29 0.640 -10.673 4.866 1.00 0.00 C ATOM 0 H LEU A 29 1.259 -9.265 0.256 1.00 0.00 H new ATOM 0 HA LEU A 29 1.822 -7.487 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.281 -9.584 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.746 -10.506 2.537 1.00 0.00 H new ATOM 0 HG LEU A 29 2.063 -9.099 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.000 -8.144 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.478 -7.319 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.857 -8.495 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.523 -10.532 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.314 -10.973 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.383 -11.449 4.681 1.00 0.00 H new ATOM 409 N GLY A 30 4.155 -7.937 3.159 1.00 0.00 N ATOM 410 CA GLY A 30 5.568 -8.082 3.457 1.00 0.00 C ATOM 411 C GLY A 30 6.449 -7.438 2.406 1.00 0.00 C ATOM 412 O GLY A 30 7.637 -7.747 2.306 1.00 0.00 O ATOM 0 H GLY A 30 3.672 -7.224 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.779 -7.635 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.814 -9.141 3.534 1.00 0.00 H new ATOM 416 N SER A 31 5.869 -6.539 1.617 1.00 0.00 N ATOM 417 CA SER A 31 6.608 -5.854 0.564 1.00 0.00 C ATOM 418 C SER A 31 6.072 -4.440 0.355 1.00 0.00 C ATOM 419 O SER A 31 4.862 -4.225 0.303 1.00 0.00 O ATOM 420 CB SER A 31 6.523 -6.641 -0.745 1.00 0.00 C ATOM 421 OG SER A 31 6.911 -7.991 -0.554 1.00 0.00 O ATOM 0 H SER A 31 4.888 -6.268 1.688 1.00 0.00 H new ATOM 0 HA SER A 31 7.651 -5.788 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.504 -6.603 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.165 -6.177 -1.494 1.00 0.00 H new ATOM 0 HG SER A 31 6.847 -8.473 -1.405 1.00 0.00 H new ATOM 427 N ALA A 32 6.984 -3.480 0.238 1.00 0.00 N ATOM 428 CA ALA A 32 6.604 -2.088 0.034 1.00 0.00 C ATOM 429 C ALA A 32 5.702 -1.938 -1.187 1.00 0.00 C ATOM 430 O ALA A 32 6.027 -2.417 -2.272 1.00 0.00 O ATOM 431 CB ALA A 32 7.846 -1.219 -0.115 1.00 0.00 C ATOM 0 H ALA A 32 7.990 -3.641 0.281 1.00 0.00 H new ATOM 0 HA ALA A 32 6.044 -1.758 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.548 -0.182 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.453 -1.294 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.427 -1.559 -0.972 1.00 0.00 H new ATOM 437 N ALA A 33 4.568 -1.272 -0.999 1.00 0.00 N ATOM 438 CA ALA A 33 3.619 -1.058 -2.084 1.00 0.00 C ATOM 439 C ALA A 33 3.159 0.395 -2.133 1.00 0.00 C ATOM 440 O ALA A 33 2.713 0.949 -1.127 1.00 0.00 O ATOM 441 CB ALA A 33 2.425 -1.988 -1.932 1.00 0.00 C ATOM 0 H ALA A 33 4.284 -0.871 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 33 4.123 -1.283 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.724 -1.817 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.765 -3.023 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.929 -1.791 -0.982 1.00 0.00 H new ATOM 447 N ASP A 34 3.269 1.007 -3.307 1.00 0.00 N ATOM 448 CA ASP A 34 2.862 2.396 -3.486 1.00 0.00 C ATOM 449 C ASP A 34 1.342 2.517 -3.527 1.00 0.00 C ATOM 450 O ASP A 34 0.641 1.555 -3.841 1.00 0.00 O ATOM 451 CB ASP A 34 3.466 2.964 -4.771 1.00 0.00 C ATOM 452 CG ASP A 34 3.394 4.478 -4.824 1.00 0.00 C ATOM 453 OD1 ASP A 34 4.173 5.136 -4.102 1.00 0.00 O ATOM 454 OD2 ASP A 34 2.560 5.005 -5.588 1.00 0.00 O ATOM 0 H ASP A 34 3.636 0.563 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 34 3.230 2.969 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.507 2.650 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.941 2.548 -5.631 1.00 0.00 H new ATOM 459 N PHE A 35 0.839 3.704 -3.205 1.00 0.00 N ATOM 460 CA PHE A 35 -0.598 3.951 -3.202 1.00 0.00 C ATOM 461 C PHE A 35 -0.917 5.319 -3.797 1.00 0.00 C ATOM 462 O PHE A 35 -0.504 6.351 -3.264 1.00 0.00 O ATOM 463 CB PHE A 35 -1.151 3.858 -1.779 1.00 0.00 C ATOM 464 CG PHE A 35 -1.079 2.476 -1.196 1.00 0.00 C ATOM 465 CD1 PHE A 35 -2.064 1.541 -1.471 1.00 0.00 C ATOM 466 CD2 PHE A 35 -0.026 2.110 -0.373 1.00 0.00 C ATOM 467 CE1 PHE A 35 -2.001 0.269 -0.936 1.00 0.00 C ATOM 468 CE2 PHE A 35 0.044 0.839 0.165 1.00 0.00 C ATOM 469 CZ PHE A 35 -0.946 -0.083 -0.117 1.00 0.00 C ATOM 0 H PHE A 35 1.406 4.510 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.073 3.188 -3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.597 4.543 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.189 4.190 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.891 1.810 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.750 2.827 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.776 -0.450 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.871 0.567 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.895 -1.077 0.302 1.00 0.00 H new ATOM 479 N LEU A 36 -1.653 5.322 -4.902 1.00 0.00 N ATOM 480 CA LEU A 36 -2.027 6.563 -5.570 1.00 0.00 C ATOM 481 C LEU A 36 -3.316 7.130 -4.984 1.00 0.00 C ATOM 482 O LEU A 36 -4.380 6.519 -5.089 1.00 0.00 O ATOM 483 CB LEU A 36 -2.197 6.326 -7.072 1.00 0.00 C ATOM 484 CG LEU A 36 -2.191 7.576 -7.953 1.00 0.00 C ATOM 485 CD1 LEU A 36 -0.799 8.187 -8.003 1.00 0.00 C ATOM 486 CD2 LEU A 36 -2.679 7.242 -9.356 1.00 0.00 C ATOM 0 H LEU A 36 -2.003 4.478 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.228 7.287 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.398 5.665 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.137 5.797 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.871 8.308 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.814 9.075 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.486 8.463 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.098 7.461 -8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.668 8.143 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.024 6.493 -9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.695 6.851 -9.304 1.00 0.00 H new ATOM 498 N LEU A 37 -3.214 8.302 -4.367 1.00 0.00 N ATOM 499 CA LEU A 37 -4.372 8.954 -3.765 1.00 0.00 C ATOM 500 C LEU A 37 -4.521 10.382 -4.279 1.00 0.00 C ATOM 501 O LEU A 37 -3.531 11.084 -4.487 1.00 0.00 O ATOM 502 CB LEU A 37 -4.244 8.958 -2.240 1.00 0.00 C ATOM 503 CG LEU A 37 -3.469 10.128 -1.636 1.00 0.00 C ATOM 504 CD1 LEU A 37 -3.877 10.346 -0.187 1.00 0.00 C ATOM 505 CD2 LEU A 37 -1.971 9.885 -1.739 1.00 0.00 C ATOM 0 H LEU A 37 -2.341 8.821 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.262 8.392 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.246 8.952 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.760 8.031 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.710 11.029 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.315 11.183 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.944 10.565 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.665 9.446 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.435 10.728 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.712 8.974 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.691 9.779 -2.787 1.00 0.00 H new ATOM 517 N ASP A 38 -5.764 10.806 -4.479 1.00 0.00 N ATOM 518 CA ASP A 38 -6.043 12.153 -4.965 1.00 0.00 C ATOM 519 C ASP A 38 -6.215 13.125 -3.802 1.00 0.00 C ATOM 520 O ASP A 38 -7.272 13.172 -3.171 1.00 0.00 O ATOM 521 CB ASP A 38 -7.300 12.154 -5.835 1.00 0.00 C ATOM 522 CG ASP A 38 -7.365 10.951 -6.757 1.00 0.00 C ATOM 523 OD1 ASP A 38 -6.508 10.846 -7.658 1.00 0.00 O ATOM 524 OD2 ASP A 38 -8.274 10.114 -6.575 1.00 0.00 O ATOM 0 H ASP A 38 -6.594 10.237 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.194 12.479 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.182 12.166 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.326 13.067 -6.430 1.00 0.00 H new ATOM 529 N ILE A 39 -5.170 13.898 -3.523 1.00 0.00 N ATOM 530 CA ILE A 39 -5.207 14.869 -2.436 1.00 0.00 C ATOM 531 C ILE A 39 -4.818 16.258 -2.927 1.00 0.00 C ATOM 532 O ILE A 39 -3.929 16.405 -3.766 1.00 0.00 O ATOM 533 CB ILE A 39 -4.267 14.461 -1.285 1.00 0.00 C ATOM 534 CG1 ILE A 39 -2.954 13.909 -1.843 1.00 0.00 C ATOM 535 CG2 ILE A 39 -4.943 13.434 -0.389 1.00 0.00 C ATOM 536 CD1 ILE A 39 -1.884 13.716 -0.790 1.00 0.00 C ATOM 0 H ILE A 39 -4.288 13.871 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.232 14.891 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.043 15.344 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.149 12.954 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.580 14.588 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.267 13.155 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.854 13.861 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.193 12.549 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.981 13.322 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.661 14.673 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.238 13.014 -0.036 1.00 0.00 H new ATOM 548 N SER A 40 -5.489 17.276 -2.397 1.00 0.00 N ATOM 549 CA SER A 40 -5.214 18.656 -2.783 1.00 0.00 C ATOM 550 C SER A 40 -4.063 19.231 -1.963 1.00 0.00 C ATOM 551 O SER A 40 -3.987 20.439 -1.744 1.00 0.00 O ATOM 552 CB SER A 40 -6.466 19.517 -2.601 1.00 0.00 C ATOM 553 OG SER A 40 -7.336 19.394 -3.713 1.00 0.00 O ATOM 0 H SER A 40 -6.226 17.172 -1.700 1.00 0.00 H new ATOM 0 HA SER A 40 -4.926 18.663 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.988 19.218 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.178 20.561 -2.474 1.00 0.00 H new ATOM 0 HG SER A 40 -8.129 19.952 -3.571 1.00 0.00 H new ATOM 559 N GLU A 41 -3.170 18.355 -1.513 1.00 0.00 N ATOM 560 CA GLU A 41 -2.024 18.776 -0.716 1.00 0.00 C ATOM 561 C GLU A 41 -0.721 18.276 -1.333 1.00 0.00 C ATOM 562 O GLU A 41 -0.517 17.072 -1.492 1.00 0.00 O ATOM 563 CB GLU A 41 -2.154 18.258 0.718 1.00 0.00 C ATOM 564 CG GLU A 41 -3.395 18.761 1.437 1.00 0.00 C ATOM 565 CD GLU A 41 -4.658 18.575 0.618 1.00 0.00 C ATOM 566 OE1 GLU A 41 -4.881 17.451 0.121 1.00 0.00 O ATOM 567 OE2 GLU A 41 -5.422 19.552 0.475 1.00 0.00 O ATOM 0 H GLU A 41 -3.218 17.351 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.005 19.866 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.171 17.168 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.271 18.555 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.500 18.234 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.271 19.818 1.672 1.00 0.00 H new ATOM 574 N THR A 42 0.160 19.210 -1.678 1.00 0.00 N ATOM 575 CA THR A 42 1.443 18.866 -2.279 1.00 0.00 C ATOM 576 C THR A 42 2.564 18.918 -1.248 1.00 0.00 C ATOM 577 O THR A 42 3.566 18.212 -1.370 1.00 0.00 O ATOM 578 CB THR A 42 1.789 19.811 -3.446 1.00 0.00 C ATOM 579 OG1 THR A 42 3.084 19.493 -3.966 1.00 0.00 O ATOM 580 CG2 THR A 42 1.761 21.263 -2.991 1.00 0.00 C ATOM 0 H THR A 42 0.008 20.211 -1.551 1.00 0.00 H new ATOM 0 HA THR A 42 1.351 17.849 -2.661 1.00 0.00 H new ATOM 0 HB THR A 42 1.042 19.677 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.296 20.097 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.008 21.912 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.765 21.510 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.489 21.408 -2.193 1.00 0.00 H new ATOM 588 N ASP A 43 2.390 19.757 -0.233 1.00 0.00 N ATOM 589 CA ASP A 43 3.387 19.899 0.822 1.00 0.00 C ATOM 590 C ASP A 43 3.572 18.586 1.575 1.00 0.00 C ATOM 591 O ASP A 43 2.724 18.192 2.376 1.00 0.00 O ATOM 592 CB ASP A 43 2.977 21.005 1.795 1.00 0.00 C ATOM 593 CG ASP A 43 3.033 22.383 1.163 1.00 0.00 C ATOM 594 OD1 ASP A 43 3.118 22.462 -0.081 1.00 0.00 O ATOM 595 OD2 ASP A 43 2.994 23.382 1.912 1.00 0.00 O ATOM 0 H ASP A 43 1.568 20.349 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 43 4.336 20.168 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.965 20.813 2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.633 20.981 2.665 1.00 0.00 H new ATOM 600 N LEU A 44 4.687 17.912 1.312 1.00 0.00 N ATOM 601 CA LEU A 44 4.985 16.642 1.965 1.00 0.00 C ATOM 602 C LEU A 44 5.284 16.846 3.446 1.00 0.00 C ATOM 603 O LEU A 44 4.544 16.379 4.310 1.00 0.00 O ATOM 604 CB LEU A 44 6.173 15.961 1.281 1.00 0.00 C ATOM 605 CG LEU A 44 5.830 14.990 0.150 1.00 0.00 C ATOM 606 CD1 LEU A 44 6.927 14.990 -0.903 1.00 0.00 C ATOM 607 CD2 LEU A 44 5.615 13.587 0.700 1.00 0.00 C ATOM 0 H LEU A 44 5.399 18.224 0.651 1.00 0.00 H new ATOM 0 HA LEU A 44 4.107 16.002 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.829 16.735 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.741 15.420 2.038 1.00 0.00 H new ATOM 0 HG LEU A 44 4.904 15.320 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.666 14.294 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.033 15.992 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.869 14.684 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.372 12.909 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.525 13.247 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.794 13.599 1.417 1.00 0.00 H new ATOM 619 N SER A 45 6.375 17.551 3.731 1.00 0.00 N ATOM 620 CA SER A 45 6.774 17.817 5.109 1.00 0.00 C ATOM 621 C SER A 45 5.582 18.284 5.939 1.00 0.00 C ATOM 622 O SER A 45 5.310 17.745 7.012 1.00 0.00 O ATOM 623 CB SER A 45 7.880 18.874 5.146 1.00 0.00 C ATOM 624 OG SER A 45 8.957 18.515 4.296 1.00 0.00 O ATOM 0 H SER A 45 6.998 17.948 3.027 1.00 0.00 H new ATOM 0 HA SER A 45 7.152 16.889 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.476 19.839 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.242 18.991 6.168 1.00 0.00 H new ATOM 0 HG SER A 45 9.650 19.207 4.336 1.00 0.00 H new ATOM 630 N SER A 46 4.874 19.289 5.434 1.00 0.00 N ATOM 631 CA SER A 46 3.714 19.832 6.130 1.00 0.00 C ATOM 632 C SER A 46 2.778 18.715 6.579 1.00 0.00 C ATOM 633 O SER A 46 2.203 18.770 7.666 1.00 0.00 O ATOM 634 CB SER A 46 2.961 20.810 5.225 1.00 0.00 C ATOM 635 OG SER A 46 3.765 21.934 4.907 1.00 0.00 O ATOM 0 H SER A 46 5.084 19.744 4.545 1.00 0.00 H new ATOM 0 HA SER A 46 4.068 20.364 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.660 20.303 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.048 21.140 5.721 1.00 0.00 H new ATOM 0 HG SER A 46 3.262 22.543 4.327 1.00 0.00 H new ATOM 641 N LEU A 47 2.630 17.700 5.734 1.00 0.00 N ATOM 642 CA LEU A 47 1.765 16.567 6.043 1.00 0.00 C ATOM 643 C LEU A 47 2.530 15.488 6.804 1.00 0.00 C ATOM 644 O LEU A 47 3.757 15.416 6.733 1.00 0.00 O ATOM 645 CB LEU A 47 1.179 15.983 4.757 1.00 0.00 C ATOM 646 CG LEU A 47 0.380 16.950 3.883 1.00 0.00 C ATOM 647 CD1 LEU A 47 0.038 16.305 2.548 1.00 0.00 C ATOM 648 CD2 LEU A 47 -0.886 17.396 4.601 1.00 0.00 C ATOM 0 H LEU A 47 3.098 17.639 4.830 1.00 0.00 H new ATOM 0 HA LEU A 47 0.953 16.924 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.996 15.577 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.532 15.147 5.023 1.00 0.00 H new ATOM 0 HG LEU A 47 0.995 17.829 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.531 17.008 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.957 16.036 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.558 15.409 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.442 18.084 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.504 16.526 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.619 17.898 5.531 1.00 0.00 H new ATOM 660 N THR A 48 1.796 14.650 7.530 1.00 0.00 N ATOM 661 CA THR A 48 2.404 13.575 8.302 1.00 0.00 C ATOM 662 C THR A 48 1.955 12.210 7.794 1.00 0.00 C ATOM 663 O THR A 48 0.835 12.057 7.306 1.00 0.00 O ATOM 664 CB THR A 48 2.058 13.692 9.799 1.00 0.00 C ATOM 665 OG1 THR A 48 1.900 15.069 10.158 1.00 0.00 O ATOM 666 CG2 THR A 48 3.144 13.060 10.656 1.00 0.00 C ATOM 0 H THR A 48 0.779 14.696 7.599 1.00 0.00 H new ATOM 0 HA THR A 48 3.483 13.669 8.177 1.00 0.00 H new ATOM 0 HB THR A 48 1.123 13.161 9.977 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.679 15.135 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.878 13.155 11.709 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.242 12.005 10.400 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.092 13.567 10.474 1.00 0.00 H new ATOM 674 N ALA A 49 2.833 11.220 7.913 1.00 0.00 N ATOM 675 CA ALA A 49 2.525 9.867 7.466 1.00 0.00 C ATOM 676 C ALA A 49 2.519 8.891 8.638 1.00 0.00 C ATOM 677 O ALA A 49 3.511 8.763 9.357 1.00 0.00 O ATOM 678 CB ALA A 49 3.522 9.419 6.408 1.00 0.00 C ATOM 0 H ALA A 49 3.764 11.329 8.315 1.00 0.00 H new ATOM 0 HA ALA A 49 1.527 9.874 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.279 8.407 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.474 10.095 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.528 9.434 6.827 1.00 0.00 H new ATOM 684 N SER A 50 1.396 8.205 8.826 1.00 0.00 N ATOM 685 CA SER A 50 1.261 7.244 9.914 1.00 0.00 C ATOM 686 C SER A 50 0.259 6.152 9.553 1.00 0.00 C ATOM 687 O SER A 50 -0.785 6.425 8.958 1.00 0.00 O ATOM 688 CB SER A 50 0.820 7.952 11.197 1.00 0.00 C ATOM 689 OG SER A 50 1.939 8.403 11.941 1.00 0.00 O ATOM 0 H SER A 50 0.567 8.297 8.239 1.00 0.00 H new ATOM 0 HA SER A 50 2.234 6.781 10.079 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.180 8.798 10.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.225 7.271 11.806 1.00 0.00 H new ATOM 0 HG SER A 50 2.675 8.615 11.329 1.00 0.00 H new ATOM 695 N ILE A 51 0.584 4.916 9.915 1.00 0.00 N ATOM 696 CA ILE A 51 -0.288 3.783 9.630 1.00 0.00 C ATOM 697 C ILE A 51 -0.329 2.812 10.806 1.00 0.00 C ATOM 698 O ILE A 51 0.681 2.579 11.469 1.00 0.00 O ATOM 699 CB ILE A 51 0.168 3.025 8.369 1.00 0.00 C ATOM 700 CG1 ILE A 51 0.167 3.960 7.158 1.00 0.00 C ATOM 701 CG2 ILE A 51 -0.731 1.823 8.119 1.00 0.00 C ATOM 702 CD1 ILE A 51 0.721 3.323 5.903 1.00 0.00 C ATOM 0 H ILE A 51 1.444 4.673 10.406 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.286 4.187 9.460 1.00 0.00 H new ATOM 0 HB ILE A 51 1.185 2.666 8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.853 4.293 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.753 4.848 7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.396 1.298 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.684 1.149 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.758 2.160 7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.690 4.043 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.752 3.015 6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.121 2.451 5.642 1.00 0.00 H new ATOM 714 N LYS A 52 -1.505 2.246 11.057 1.00 0.00 N ATOM 715 CA LYS A 52 -1.680 1.298 12.151 1.00 0.00 C ATOM 716 C LYS A 52 -2.617 0.165 11.744 1.00 0.00 C ATOM 717 O LYS A 52 -3.830 0.351 11.662 1.00 0.00 O ATOM 718 CB LYS A 52 -2.231 2.010 13.388 1.00 0.00 C ATOM 719 CG LYS A 52 -2.393 1.099 14.593 1.00 0.00 C ATOM 720 CD LYS A 52 -1.100 0.985 15.383 1.00 0.00 C ATOM 721 CE LYS A 52 -1.369 0.775 16.865 1.00 0.00 C ATOM 722 NZ LYS A 52 -1.456 2.066 17.602 1.00 0.00 N ATOM 0 H LYS A 52 -2.351 2.428 10.517 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.705 0.873 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.564 2.831 13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.198 2.450 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.182 1.485 15.238 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.707 0.109 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.509 0.154 14.998 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.507 1.889 15.244 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.300 0.222 16.990 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.575 0.164 17.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.640 1.879 18.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.559 2.583 17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.230 2.639 17.209 1.00 0.00 H new ATOM 736 N ALA A 53 -2.044 -1.008 11.491 1.00 0.00 N ATOM 737 CA ALA A 53 -2.829 -2.171 11.096 1.00 0.00 C ATOM 738 C ALA A 53 -4.085 -2.301 11.951 1.00 0.00 C ATOM 739 O ALA A 53 -4.252 -1.618 12.961 1.00 0.00 O ATOM 740 CB ALA A 53 -1.986 -3.434 11.196 1.00 0.00 C ATOM 0 H ALA A 53 -1.040 -1.177 11.553 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.139 -2.036 10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.584 -4.295 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.122 -3.348 10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.648 -3.565 12.224 1.00 0.00 H new ATOM 746 N PRO A 54 -4.992 -3.199 11.537 1.00 0.00 N ATOM 747 CA PRO A 54 -6.250 -3.440 12.251 1.00 0.00 C ATOM 748 C PRO A 54 -6.032 -4.131 13.592 1.00 0.00 C ATOM 749 O PRO A 54 -6.901 -4.103 14.464 1.00 0.00 O ATOM 750 CB PRO A 54 -7.028 -4.351 11.299 1.00 0.00 C ATOM 751 CG PRO A 54 -5.982 -5.037 10.491 1.00 0.00 C ATOM 752 CD PRO A 54 -4.860 -4.048 10.342 1.00 0.00 C ATOM 0 HA PRO A 54 -6.767 -2.511 12.492 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.638 -5.068 11.848 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.704 -3.777 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.639 -5.945 10.987 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.373 -5.334 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.890 -4.544 10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.955 -3.468 9.424 1.00 0.00 H new ATOM 760 N SER A 55 -4.867 -4.751 13.751 1.00 0.00 N ATOM 761 CA SER A 55 -4.536 -5.453 14.986 1.00 0.00 C ATOM 762 C SER A 55 -3.682 -4.578 15.896 1.00 0.00 C ATOM 763 O SER A 55 -3.153 -5.043 16.905 1.00 0.00 O ATOM 764 CB SER A 55 -3.800 -6.758 14.674 1.00 0.00 C ATOM 765 OG SER A 55 -4.646 -7.674 14.003 1.00 0.00 O ATOM 0 H SER A 55 -4.136 -4.782 13.040 1.00 0.00 H new ATOM 0 HA SER A 55 -5.467 -5.685 15.504 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.926 -6.547 14.058 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.437 -7.205 15.600 1.00 0.00 H new ATOM 0 HG SER A 55 -4.151 -8.498 13.814 1.00 0.00 H new ATOM 771 N GLY A 56 -3.550 -3.306 15.531 1.00 0.00 N ATOM 772 CA GLY A 56 -2.759 -2.385 16.326 1.00 0.00 C ATOM 773 C GLY A 56 -1.278 -2.479 16.018 1.00 0.00 C ATOM 774 O GLY A 56 -0.444 -2.025 16.802 1.00 0.00 O ATOM 0 H GLY A 56 -3.977 -2.897 14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.101 -1.366 16.144 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.921 -2.591 17.384 1.00 0.00 H new ATOM 778 N ARG A 57 -0.948 -3.072 14.875 1.00 0.00 N ATOM 779 CA ARG A 57 0.443 -3.226 14.467 1.00 0.00 C ATOM 780 C ARG A 57 0.905 -2.027 13.644 1.00 0.00 C ATOM 781 O ARG A 57 0.419 -1.796 12.538 1.00 0.00 O ATOM 782 CB ARG A 57 0.618 -4.512 13.657 1.00 0.00 C ATOM 783 CG ARG A 57 0.092 -5.752 14.361 1.00 0.00 C ATOM 784 CD ARG A 57 0.995 -6.164 15.513 1.00 0.00 C ATOM 785 NE ARG A 57 2.102 -7.006 15.067 1.00 0.00 N ATOM 786 CZ ARG A 57 3.281 -6.528 14.685 1.00 0.00 C ATOM 787 NH1 ARG A 57 3.504 -5.221 14.693 1.00 0.00 N ATOM 788 NH2 ARG A 57 4.239 -7.358 14.293 1.00 0.00 N ATOM 0 H ARG A 57 -1.626 -3.454 14.215 1.00 0.00 H new ATOM 0 HA ARG A 57 1.055 -3.284 15.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.105 -4.402 12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.676 -4.651 13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.913 -5.560 14.736 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.015 -6.572 13.647 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.391 -5.273 16.000 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.409 -6.701 16.259 1.00 0.00 H new ATOM 0 HE ARG A 57 1.962 -8.016 15.048 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.769 -4.580 14.993 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.410 -4.856 14.399 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.070 -8.364 14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.144 -6.990 14.000 1.00 0.00 H new ATOM 802 N ASP A 58 1.846 -1.267 14.194 1.00 0.00 N ATOM 803 CA ASP A 58 2.374 -0.091 13.511 1.00 0.00 C ATOM 804 C ASP A 58 3.269 -0.498 12.345 1.00 0.00 C ATOM 805 O ASP A 58 4.077 -1.419 12.461 1.00 0.00 O ATOM 806 CB ASP A 58 3.159 0.783 14.491 1.00 0.00 C ATOM 807 CG ASP A 58 4.076 1.762 13.785 1.00 0.00 C ATOM 808 OD1 ASP A 58 3.567 2.756 13.228 1.00 0.00 O ATOM 809 OD2 ASP A 58 5.305 1.534 13.790 1.00 0.00 O ATOM 0 H ASP A 58 2.259 -1.444 15.110 1.00 0.00 H new ATOM 0 HA ASP A 58 1.533 0.481 13.119 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.461 1.333 15.122 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.750 0.146 15.149 1.00 0.00 H new ATOM 814 N GLU A 59 3.117 0.196 11.220 1.00 0.00 N ATOM 815 CA GLU A 59 3.910 -0.095 10.032 1.00 0.00 C ATOM 816 C GLU A 59 4.696 1.135 9.588 1.00 0.00 C ATOM 817 O GLU A 59 4.227 2.270 9.681 1.00 0.00 O ATOM 818 CB GLU A 59 3.006 -0.574 8.893 1.00 0.00 C ATOM 819 CG GLU A 59 2.203 -1.817 9.236 1.00 0.00 C ATOM 820 CD GLU A 59 1.098 -2.092 8.235 1.00 0.00 C ATOM 821 OE1 GLU A 59 0.770 -1.181 7.447 1.00 0.00 O ATOM 822 OE2 GLU A 59 0.559 -3.219 8.242 1.00 0.00 O ATOM 0 H GLU A 59 2.453 0.962 11.108 1.00 0.00 H new ATOM 0 HA GLU A 59 4.617 -0.886 10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.320 0.229 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.619 -0.778 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.872 -2.677 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.768 -1.702 10.229 1.00 0.00 H new ATOM 829 N PRO A 60 5.921 0.907 9.092 1.00 0.00 N ATOM 830 CA PRO A 60 6.799 1.984 8.624 1.00 0.00 C ATOM 831 C PRO A 60 6.292 2.627 7.337 1.00 0.00 C ATOM 832 O PRO A 60 6.598 2.163 6.238 1.00 0.00 O ATOM 833 CB PRO A 60 8.132 1.272 8.376 1.00 0.00 C ATOM 834 CG PRO A 60 7.760 -0.146 8.111 1.00 0.00 C ATOM 835 CD PRO A 60 6.544 -0.420 8.950 1.00 0.00 C ATOM 0 HA PRO A 60 6.863 2.800 9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.662 1.707 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.791 1.354 9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.547 -0.302 7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.576 -0.819 8.375 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.873 -1.129 8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.811 -0.844 9.918 1.00 0.00 H new ATOM 843 N CYS A 61 5.517 3.696 7.482 1.00 0.00 N ATOM 844 CA CYS A 61 4.967 4.403 6.331 1.00 0.00 C ATOM 845 C CYS A 61 5.773 5.663 6.031 1.00 0.00 C ATOM 846 O CYS A 61 6.256 6.335 6.943 1.00 0.00 O ATOM 847 CB CYS A 61 3.503 4.767 6.581 1.00 0.00 C ATOM 848 SG CYS A 61 3.267 6.088 7.793 1.00 0.00 S ATOM 0 H CYS A 61 5.255 4.092 8.385 1.00 0.00 H new ATOM 0 HA CYS A 61 5.026 3.741 5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.049 5.069 5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.972 3.878 6.921 1.00 0.00 H new ATOM 0 HG CYS A 61 4.389 6.721 7.968 1.00 0.00 H new ATOM 854 N LEU A 62 5.915 5.975 4.748 1.00 0.00 N ATOM 855 CA LEU A 62 6.664 7.154 4.327 1.00 0.00 C ATOM 856 C LEU A 62 6.008 7.812 3.117 1.00 0.00 C ATOM 857 O LEU A 62 5.807 7.175 2.082 1.00 0.00 O ATOM 858 CB LEU A 62 8.108 6.774 3.994 1.00 0.00 C ATOM 859 CG LEU A 62 9.153 7.873 4.186 1.00 0.00 C ATOM 860 CD1 LEU A 62 8.812 9.088 3.336 1.00 0.00 C ATOM 861 CD2 LEU A 62 9.258 8.260 5.654 1.00 0.00 C ATOM 0 H LEU A 62 5.522 5.429 3.982 1.00 0.00 H new ATOM 0 HA LEU A 62 6.663 7.867 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.390 5.921 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.145 6.443 2.956 1.00 0.00 H new ATOM 0 HG LEU A 62 10.120 7.488 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.567 9.860 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.789 8.802 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.835 9.474 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.007 9.043 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.293 8.625 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.550 7.389 6.240 1.00 0.00 H new ATOM 873 N LEU A 63 5.678 9.093 3.253 1.00 0.00 N ATOM 874 CA LEU A 63 5.048 9.839 2.170 1.00 0.00 C ATOM 875 C LEU A 63 6.092 10.366 1.191 1.00 0.00 C ATOM 876 O LEU A 63 7.129 10.891 1.596 1.00 0.00 O ATOM 877 CB LEU A 63 4.229 11.002 2.735 1.00 0.00 C ATOM 878 CG LEU A 63 2.771 10.694 3.074 1.00 0.00 C ATOM 879 CD1 LEU A 63 2.152 11.837 3.863 1.00 0.00 C ATOM 880 CD2 LEU A 63 1.973 10.426 1.807 1.00 0.00 C ATOM 0 H LEU A 63 5.837 9.635 4.102 1.00 0.00 H new ATOM 0 HA LEU A 63 4.384 9.161 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.722 11.363 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.249 11.818 2.013 1.00 0.00 H new ATOM 0 HG LEU A 63 2.745 9.797 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.114 11.599 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.707 11.982 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.191 12.751 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.937 10.209 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.008 11.304 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.401 9.573 1.281 1.00 0.00 H new ATOM 892 N LYS A 64 5.810 10.224 -0.100 1.00 0.00 N ATOM 893 CA LYS A 64 6.721 10.688 -1.139 1.00 0.00 C ATOM 894 C LYS A 64 5.952 11.287 -2.311 1.00 0.00 C ATOM 895 O LYS A 64 4.759 11.028 -2.480 1.00 0.00 O ATOM 896 CB LYS A 64 7.600 9.533 -1.628 1.00 0.00 C ATOM 897 CG LYS A 64 6.824 8.440 -2.343 1.00 0.00 C ATOM 898 CD LYS A 64 7.754 7.401 -2.946 1.00 0.00 C ATOM 899 CE LYS A 64 8.454 6.588 -1.869 1.00 0.00 C ATOM 900 NZ LYS A 64 9.555 5.755 -2.429 1.00 0.00 N ATOM 0 H LYS A 64 4.956 9.791 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 64 7.355 11.464 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.361 9.927 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.122 9.098 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.143 7.957 -1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.212 8.882 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.185 6.735 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.498 7.896 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.857 7.260 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.729 5.944 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.007 5.216 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.168 5.096 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.260 6.371 -2.882 1.00 0.00 H new ATOM 914 N ARG A 65 6.640 12.087 -3.118 1.00 0.00 N ATOM 915 CA ARG A 65 6.020 12.722 -4.274 1.00 0.00 C ATOM 916 C ARG A 65 6.025 11.785 -5.478 1.00 0.00 C ATOM 917 O ARG A 65 7.040 11.159 -5.787 1.00 0.00 O ATOM 918 CB ARG A 65 6.751 14.021 -4.623 1.00 0.00 C ATOM 919 CG ARG A 65 6.276 14.659 -5.918 1.00 0.00 C ATOM 920 CD ARG A 65 4.984 15.437 -5.714 1.00 0.00 C ATOM 921 NE ARG A 65 4.866 16.556 -6.645 1.00 0.00 N ATOM 922 CZ ARG A 65 5.706 17.584 -6.668 1.00 0.00 C ATOM 923 NH1 ARG A 65 6.720 17.636 -5.816 1.00 0.00 N ATOM 924 NH2 ARG A 65 5.532 18.564 -7.545 1.00 0.00 N ATOM 0 H ARG A 65 7.627 12.311 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 65 4.986 12.952 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.619 14.732 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.819 13.818 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.048 15.327 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.122 13.886 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.134 14.767 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.944 15.811 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 65 4.096 16.547 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.857 16.885 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.363 18.427 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.753 18.528 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.178 19.354 -7.562 1.00 0.00 H new ATOM 938 N LEU A 66 4.885 11.692 -6.153 1.00 0.00 N ATOM 939 CA LEU A 66 4.756 10.829 -7.323 1.00 0.00 C ATOM 940 C LEU A 66 4.728 11.652 -8.606 1.00 0.00 C ATOM 941 O LEU A 66 4.350 12.824 -8.613 1.00 0.00 O ATOM 942 CB LEU A 66 3.487 9.981 -7.219 1.00 0.00 C ATOM 943 CG LEU A 66 3.508 8.866 -6.173 1.00 0.00 C ATOM 944 CD1 LEU A 66 2.140 8.213 -6.062 1.00 0.00 C ATOM 945 CD2 LEU A 66 4.570 7.832 -6.516 1.00 0.00 C ATOM 0 H LEU A 66 4.036 12.203 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 66 5.624 10.170 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.649 10.643 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.292 9.534 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 66 3.757 9.305 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.174 7.422 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.403 8.960 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.860 7.788 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.570 7.046 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.353 7.397 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.549 8.311 -6.542 1.00 0.00 H new ATOM 957 N PRO A 67 5.136 11.027 -9.720 1.00 0.00 N ATOM 958 CA PRO A 67 5.164 11.683 -11.031 1.00 0.00 C ATOM 959 C PRO A 67 3.765 11.949 -11.576 1.00 0.00 C ATOM 960 O PRO A 67 2.781 11.406 -11.077 1.00 0.00 O ATOM 961 CB PRO A 67 5.899 10.673 -11.917 1.00 0.00 C ATOM 962 CG PRO A 67 5.666 9.355 -11.263 1.00 0.00 C ATOM 963 CD PRO A 67 5.600 9.631 -9.786 1.00 0.00 C ATOM 0 HA PRO A 67 5.643 12.661 -10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.511 10.684 -12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.963 10.902 -11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.740 8.902 -11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.471 8.657 -11.494 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.911 8.954 -9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.573 9.508 -9.310 1.00 0.00 H new ATOM 971 N ASN A 68 3.685 12.790 -12.602 1.00 0.00 N ATOM 972 CA ASN A 68 2.406 13.131 -13.214 1.00 0.00 C ATOM 973 C ASN A 68 1.578 14.017 -12.289 1.00 0.00 C ATOM 974 O ASN A 68 0.348 13.996 -12.329 1.00 0.00 O ATOM 975 CB ASN A 68 1.626 11.858 -13.553 1.00 0.00 C ATOM 976 CG ASN A 68 0.659 12.063 -14.704 1.00 0.00 C ATOM 977 OD1 ASN A 68 -0.171 12.972 -14.678 1.00 0.00 O ATOM 978 ND2 ASN A 68 0.762 11.215 -15.721 1.00 0.00 N ATOM 0 H ASN A 68 4.491 13.248 -13.027 1.00 0.00 H new ATOM 0 HA ASN A 68 2.606 13.684 -14.132 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.326 11.063 -13.807 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.074 11.528 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.138 11.302 -16.523 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.465 10.476 -15.700 1.00 0.00 H new ATOM 985 N ASN A 69 2.261 14.793 -11.455 1.00 0.00 N ATOM 986 CA ASN A 69 1.589 15.687 -10.519 1.00 0.00 C ATOM 987 C ASN A 69 0.701 14.902 -9.559 1.00 0.00 C ATOM 988 O ASN A 69 -0.456 15.259 -9.334 1.00 0.00 O ATOM 989 CB ASN A 69 0.752 16.719 -11.278 1.00 0.00 C ATOM 990 CG ASN A 69 1.598 17.834 -11.862 1.00 0.00 C ATOM 991 OD1 ASN A 69 2.806 17.896 -11.635 1.00 0.00 O ATOM 992 ND2 ASN A 69 0.964 18.723 -12.619 1.00 0.00 N ATOM 0 H ASN A 69 3.280 14.821 -11.408 1.00 0.00 H new ATOM 0 HA ASN A 69 2.352 16.205 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.207 16.222 -12.081 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.008 17.146 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.480 19.496 -13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.039 18.632 -12.780 1.00 0.00 H new ATOM 999 N HIS A 70 1.251 13.831 -8.995 1.00 0.00 N ATOM 1000 CA HIS A 70 0.510 12.995 -8.057 1.00 0.00 C ATOM 1001 C HIS A 70 1.351 12.686 -6.823 1.00 0.00 C ATOM 1002 O HIS A 70 2.566 12.886 -6.821 1.00 0.00 O ATOM 1003 CB HIS A 70 0.078 11.694 -8.734 1.00 0.00 C ATOM 1004 CG HIS A 70 -0.760 11.904 -9.957 1.00 0.00 C ATOM 1005 ND1 HIS A 70 -1.554 13.016 -10.144 1.00 0.00 N ATOM 1006 CD2 HIS A 70 -0.925 11.136 -11.059 1.00 0.00 C ATOM 1007 CE1 HIS A 70 -2.171 12.923 -11.307 1.00 0.00 C ATOM 1008 NE2 HIS A 70 -1.807 11.792 -11.883 1.00 0.00 N ATOM 0 H HIS A 70 2.207 13.522 -9.171 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.377 13.544 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.966 11.123 -9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.482 11.091 -8.019 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.650 13.790 -9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.452 10.185 -11.254 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.857 13.649 -11.718 1.00 0.00 H new ATOM 1017 N ILE A 71 0.697 12.200 -5.773 1.00 0.00 N ATOM 1018 CA ILE A 71 1.384 11.863 -4.533 1.00 0.00 C ATOM 1019 C ILE A 71 0.781 10.619 -3.890 1.00 0.00 C ATOM 1020 O ILE A 71 -0.430 10.405 -3.942 1.00 0.00 O ATOM 1021 CB ILE A 71 1.330 13.027 -3.526 1.00 0.00 C ATOM 1022 CG1 ILE A 71 1.945 14.288 -4.136 1.00 0.00 C ATOM 1023 CG2 ILE A 71 2.049 12.648 -2.240 1.00 0.00 C ATOM 1024 CD1 ILE A 71 1.537 15.562 -3.429 1.00 0.00 C ATOM 0 H ILE A 71 -0.309 12.031 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 71 2.424 11.666 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 71 0.287 13.234 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.031 14.201 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.653 14.354 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.002 13.481 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.569 11.774 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.091 12.417 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.010 16.415 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.454 15.673 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.853 15.517 -2.387 1.00 0.00 H new ATOM 1036 N GLY A 72 1.634 9.801 -3.281 1.00 0.00 N ATOM 1037 CA GLY A 72 1.166 8.589 -2.634 1.00 0.00 C ATOM 1038 C GLY A 72 2.018 8.204 -1.440 1.00 0.00 C ATOM 1039 O GLY A 72 3.110 8.740 -1.249 1.00 0.00 O ATOM 0 H GLY A 72 2.641 9.956 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.134 8.728 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.166 7.772 -3.356 1.00 0.00 H new ATOM 1043 N ILE A 73 1.518 7.272 -0.635 1.00 0.00 N ATOM 1044 CA ILE A 73 2.240 6.817 0.547 1.00 0.00 C ATOM 1045 C ILE A 73 2.996 5.523 0.263 1.00 0.00 C ATOM 1046 O ILE A 73 2.565 4.706 -0.550 1.00 0.00 O ATOM 1047 CB ILE A 73 1.288 6.593 1.736 1.00 0.00 C ATOM 1048 CG1 ILE A 73 2.085 6.451 3.035 1.00 0.00 C ATOM 1049 CG2 ILE A 73 0.425 5.362 1.500 1.00 0.00 C ATOM 1050 CD1 ILE A 73 1.327 6.908 4.262 1.00 0.00 C ATOM 0 H ILE A 73 0.616 6.818 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 73 2.951 7.602 0.806 1.00 0.00 H new ATOM 0 HB ILE A 73 0.633 7.459 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.372 5.407 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.006 7.027 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.242 5.217 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.165 5.500 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.064 4.486 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.953 6.779 5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.063 7.960 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.419 6.315 4.371 1.00 0.00 H new ATOM 1062 N SER A 74 4.124 5.344 0.943 1.00 0.00 N ATOM 1063 CA SER A 74 4.941 4.149 0.763 1.00 0.00 C ATOM 1064 C SER A 74 5.196 3.459 2.100 1.00 0.00 C ATOM 1065 O SER A 74 5.863 4.006 2.978 1.00 0.00 O ATOM 1066 CB SER A 74 6.273 4.512 0.102 1.00 0.00 C ATOM 1067 OG SER A 74 7.108 3.373 -0.019 1.00 0.00 O ATOM 0 H SER A 74 4.493 6.010 1.622 1.00 0.00 H new ATOM 0 HA SER A 74 4.397 3.461 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.089 4.939 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.779 5.277 0.691 1.00 0.00 H new ATOM 0 HG SER A 74 7.952 3.630 -0.445 1.00 0.00 H new ATOM 1073 N PHE A 75 4.659 2.252 2.248 1.00 0.00 N ATOM 1074 CA PHE A 75 4.826 1.486 3.478 1.00 0.00 C ATOM 1075 C PHE A 75 4.784 -0.012 3.194 1.00 0.00 C ATOM 1076 O PHE A 75 4.412 -0.438 2.100 1.00 0.00 O ATOM 1077 CB PHE A 75 3.736 1.856 4.485 1.00 0.00 C ATOM 1078 CG PHE A 75 2.441 1.129 4.262 1.00 0.00 C ATOM 1079 CD1 PHE A 75 1.504 1.615 3.363 1.00 0.00 C ATOM 1080 CD2 PHE A 75 2.159 -0.039 4.952 1.00 0.00 C ATOM 1081 CE1 PHE A 75 0.312 0.948 3.156 1.00 0.00 C ATOM 1082 CE2 PHE A 75 0.968 -0.710 4.747 1.00 0.00 C ATOM 1083 CZ PHE A 75 0.043 -0.215 3.850 1.00 0.00 C ATOM 0 H PHE A 75 4.105 1.783 1.531 1.00 0.00 H new ATOM 0 HA PHE A 75 5.800 1.731 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.095 1.642 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.554 2.929 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.708 2.525 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.877 -0.429 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.409 1.336 2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.761 -1.621 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.889 -0.736 3.691 1.00 0.00 H new ATOM 1093 N ILE A 76 5.170 -0.807 4.186 1.00 0.00 N ATOM 1094 CA ILE A 76 5.177 -2.257 4.045 1.00 0.00 C ATOM 1095 C ILE A 76 4.123 -2.903 4.940 1.00 0.00 C ATOM 1096 O ILE A 76 4.308 -3.053 6.148 1.00 0.00 O ATOM 1097 CB ILE A 76 6.557 -2.851 4.386 1.00 0.00 C ATOM 1098 CG1 ILE A 76 7.631 -2.255 3.475 1.00 0.00 C ATOM 1099 CG2 ILE A 76 6.527 -4.366 4.261 1.00 0.00 C ATOM 1100 CD1 ILE A 76 9.038 -2.444 3.995 1.00 0.00 C ATOM 0 H ILE A 76 5.482 -0.471 5.097 1.00 0.00 H new ATOM 0 HA ILE A 76 4.946 -2.472 3.002 1.00 0.00 H new ATOM 0 HB ILE A 76 6.802 -2.597 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.553 -2.711 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.439 -1.189 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.509 -4.771 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.786 -4.773 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.265 -4.642 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.747 -1.997 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.134 -1.963 4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.249 -3.509 4.094 1.00 0.00 H new ATOM 1112 N PRO A 77 2.992 -3.294 4.335 1.00 0.00 N ATOM 1113 CA PRO A 77 1.887 -3.932 5.057 1.00 0.00 C ATOM 1114 C PRO A 77 2.239 -5.339 5.529 1.00 0.00 C ATOM 1115 O PRO A 77 2.781 -6.141 4.769 1.00 0.00 O ATOM 1116 CB PRO A 77 0.765 -3.980 4.019 1.00 0.00 C ATOM 1117 CG PRO A 77 1.465 -3.974 2.703 1.00 0.00 C ATOM 1118 CD PRO A 77 2.704 -3.145 2.898 1.00 0.00 C ATOM 0 HA PRO A 77 1.623 -3.387 5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.154 -4.875 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.098 -3.123 4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.718 -4.987 2.391 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.830 -3.550 1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.529 -3.505 2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.537 -2.102 2.628 1.00 0.00 H new ATOM 1126 N ARG A 78 1.926 -5.632 6.787 1.00 0.00 N ATOM 1127 CA ARG A 78 2.209 -6.942 7.359 1.00 0.00 C ATOM 1128 C ARG A 78 0.928 -7.758 7.512 1.00 0.00 C ATOM 1129 O ARG A 78 0.939 -8.980 7.375 1.00 0.00 O ATOM 1130 CB ARG A 78 2.895 -6.792 8.718 1.00 0.00 C ATOM 1131 CG ARG A 78 4.409 -6.686 8.627 1.00 0.00 C ATOM 1132 CD ARG A 78 4.841 -5.333 8.080 1.00 0.00 C ATOM 1133 NE ARG A 78 6.244 -5.049 8.366 1.00 0.00 N ATOM 1134 CZ ARG A 78 6.700 -4.738 9.574 1.00 0.00 C ATOM 1135 NH1 ARG A 78 5.865 -4.669 10.603 1.00 0.00 N ATOM 1136 NH2 ARG A 78 7.990 -4.493 9.755 1.00 0.00 N ATOM 0 H ARG A 78 1.476 -4.979 7.429 1.00 0.00 H new ATOM 0 HA ARG A 78 2.877 -7.470 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.506 -5.904 9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.636 -7.647 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.845 -6.837 9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.792 -7.479 7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.679 -5.309 7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.217 -4.551 8.513 1.00 0.00 H new ATOM 0 HE ARG A 78 6.911 -5.092 7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.871 -4.855 10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.217 -4.430 11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.634 -4.543 8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.338 -4.254 10.683 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.174 -7.071 7.798 1.00 0.00 N ATOM 1151 CA GLU A 79 -1.461 -7.732 7.970 1.00 0.00 C ATOM 1152 C GLU A 79 -2.436 -7.321 6.870 1.00 0.00 C ATOM 1153 O GLU A 79 -2.343 -6.223 6.321 1.00 0.00 O ATOM 1154 CB GLU A 79 -2.052 -7.396 9.341 1.00 0.00 C ATOM 1155 CG GLU A 79 -3.440 -7.973 9.564 1.00 0.00 C ATOM 1156 CD GLU A 79 -3.412 -9.455 9.882 1.00 0.00 C ATOM 1157 OE1 GLU A 79 -2.703 -10.200 9.172 1.00 0.00 O ATOM 1158 OE2 GLU A 79 -4.097 -9.871 10.839 1.00 0.00 O ATOM 0 H GLU A 79 -0.200 -6.058 7.915 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.299 -8.808 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.384 -7.770 10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.096 -6.313 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.924 -7.439 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.045 -7.808 8.673 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.370 -8.211 6.552 1.00 0.00 N ATOM 1166 CA VAL A 80 -4.363 -7.943 5.519 1.00 0.00 C ATOM 1167 C VAL A 80 -5.698 -7.537 6.131 1.00 0.00 C ATOM 1168 O VAL A 80 -6.112 -8.073 7.159 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.578 -9.171 4.614 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.279 -9.561 3.926 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -5.134 -10.335 5.421 1.00 0.00 C ATOM 0 H VAL A 80 -3.460 -9.125 6.996 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.978 -7.120 4.917 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.305 -8.912 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.450 -10.430 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.927 -8.730 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.528 -9.803 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.280 -11.194 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.432 -10.597 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.089 -10.049 5.862 1.00 0.00 H new ATOM 1181 N GLY A 81 -6.372 -6.584 5.492 1.00 0.00 N ATOM 1182 CA GLY A 81 -7.654 -6.122 5.989 1.00 0.00 C ATOM 1183 C GLY A 81 -7.883 -4.647 5.719 1.00 0.00 C ATOM 1184 O GLY A 81 -7.528 -4.143 4.655 1.00 0.00 O ATOM 0 H GLY A 81 -6.052 -6.125 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.451 -6.702 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.712 -6.305 7.062 1.00 0.00 H new ATOM 1188 N GLU A 82 -8.480 -3.957 6.685 1.00 0.00 N ATOM 1189 CA GLU A 82 -8.758 -2.532 6.545 1.00 0.00 C ATOM 1190 C GLU A 82 -7.740 -1.701 7.320 1.00 0.00 C ATOM 1191 O GLU A 82 -7.782 -1.633 8.549 1.00 0.00 O ATOM 1192 CB GLU A 82 -10.172 -2.215 7.035 1.00 0.00 C ATOM 1193 CG GLU A 82 -10.568 -0.761 6.848 1.00 0.00 C ATOM 1194 CD GLU A 82 -12.043 -0.520 7.111 1.00 0.00 C ATOM 1195 OE1 GLU A 82 -12.486 -0.747 8.255 1.00 0.00 O ATOM 1196 OE2 GLU A 82 -12.751 -0.103 6.171 1.00 0.00 O ATOM 0 H GLU A 82 -8.780 -4.361 7.572 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.682 -2.275 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.882 -2.848 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.247 -2.470 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.976 -0.138 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.329 -0.451 5.831 1.00 0.00 H new ATOM 1203 N HIS A 83 -6.824 -1.067 6.593 1.00 0.00 N ATOM 1204 CA HIS A 83 -5.795 -0.240 7.211 1.00 0.00 C ATOM 1205 C HIS A 83 -6.182 1.235 7.162 1.00 0.00 C ATOM 1206 O HIS A 83 -6.728 1.712 6.166 1.00 0.00 O ATOM 1207 CB HIS A 83 -4.453 -0.450 6.510 1.00 0.00 C ATOM 1208 CG HIS A 83 -3.709 -1.657 6.991 1.00 0.00 C ATOM 1209 ND1 HIS A 83 -4.267 -2.918 7.034 1.00 0.00 N ATOM 1210 CD2 HIS A 83 -2.442 -1.794 7.449 1.00 0.00 C ATOM 1211 CE1 HIS A 83 -3.378 -3.776 7.499 1.00 0.00 C ATOM 1212 NE2 HIS A 83 -2.262 -3.120 7.758 1.00 0.00 N ATOM 0 H HIS A 83 -6.774 -1.111 5.575 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.702 -0.539 8.255 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.623 -0.542 5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.832 0.433 6.660 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.710 -1.007 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.537 -4.835 7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.405 -3.531 8.128 1.00 0.00 H new ATOM 1221 N LEU A 84 -5.898 1.953 8.243 1.00 0.00 N ATOM 1222 CA LEU A 84 -6.217 3.374 8.325 1.00 0.00 C ATOM 1223 C LEU A 84 -4.947 4.212 8.440 1.00 0.00 C ATOM 1224 O LEU A 84 -4.223 4.128 9.433 1.00 0.00 O ATOM 1225 CB LEU A 84 -7.131 3.644 9.521 1.00 0.00 C ATOM 1226 CG LEU A 84 -8.617 3.354 9.310 1.00 0.00 C ATOM 1227 CD1 LEU A 84 -9.338 3.266 10.646 1.00 0.00 C ATOM 1228 CD2 LEU A 84 -9.249 4.424 8.430 1.00 0.00 C ATOM 0 H LEU A 84 -5.447 1.574 9.076 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.735 3.658 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.781 3.046 10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.023 4.690 9.806 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.712 2.393 8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.395 3.059 10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.902 2.464 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.234 4.212 11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.307 4.202 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.143 5.398 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.750 4.439 7.461 1.00 0.00 H new ATOM 1240 N VAL A 85 -4.684 5.022 7.419 1.00 0.00 N ATOM 1241 CA VAL A 85 -3.504 5.877 7.408 1.00 0.00 C ATOM 1242 C VAL A 85 -3.819 7.257 7.974 1.00 0.00 C ATOM 1243 O VAL A 85 -4.645 7.989 7.429 1.00 0.00 O ATOM 1244 CB VAL A 85 -2.939 6.036 5.983 1.00 0.00 C ATOM 1245 CG1 VAL A 85 -1.583 6.724 6.018 1.00 0.00 C ATOM 1246 CG2 VAL A 85 -2.843 4.684 5.295 1.00 0.00 C ATOM 0 H VAL A 85 -5.272 5.104 6.590 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.757 5.392 8.036 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.621 6.663 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.201 6.827 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.687 7.711 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.888 6.128 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.442 4.815 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.183 4.031 5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.835 4.235 5.235 1.00 0.00 H new ATOM 1256 N SER A 86 -3.156 7.607 9.072 1.00 0.00 N ATOM 1257 CA SER A 86 -3.368 8.897 9.715 1.00 0.00 C ATOM 1258 C SER A 86 -2.575 9.993 9.009 1.00 0.00 C ATOM 1259 O SER A 86 -1.354 10.073 9.142 1.00 0.00 O ATOM 1260 CB SER A 86 -2.964 8.830 11.189 1.00 0.00 C ATOM 1261 OG SER A 86 -3.490 7.669 11.808 1.00 0.00 O ATOM 0 H SER A 86 -2.467 7.014 9.535 1.00 0.00 H new ATOM 0 HA SER A 86 -4.429 9.138 9.647 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.877 8.830 11.272 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.323 9.718 11.709 1.00 0.00 H new ATOM 0 HG SER A 86 -3.217 7.648 12.749 1.00 0.00 H new ATOM 1267 N ILE A 87 -3.279 10.834 8.258 1.00 0.00 N ATOM 1268 CA ILE A 87 -2.642 11.925 7.532 1.00 0.00 C ATOM 1269 C ILE A 87 -3.141 13.279 8.024 1.00 0.00 C ATOM 1270 O ILE A 87 -4.295 13.648 7.801 1.00 0.00 O ATOM 1271 CB ILE A 87 -2.896 11.818 6.017 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -2.605 10.397 5.529 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -2.045 12.827 5.264 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -1.169 9.969 5.737 1.00 0.00 C ATOM 0 H ILE A 87 -4.290 10.780 8.137 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.571 11.845 7.720 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.945 12.042 5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.262 9.701 6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.846 10.329 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -2.236 12.738 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.297 13.834 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.991 12.633 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.035 8.952 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.506 10.642 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.929 10.004 6.800 1.00 0.00 H new ATOM 1286 N LYS A 88 -2.266 14.019 8.696 1.00 0.00 N ATOM 1287 CA LYS A 88 -2.616 15.334 9.219 1.00 0.00 C ATOM 1288 C LYS A 88 -1.584 16.378 8.799 1.00 0.00 C ATOM 1289 O LYS A 88 -0.532 16.042 8.256 1.00 0.00 O ATOM 1290 CB LYS A 88 -2.718 15.288 10.745 1.00 0.00 C ATOM 1291 CG LYS A 88 -3.190 13.949 11.283 1.00 0.00 C ATOM 1292 CD LYS A 88 -2.857 13.791 12.756 1.00 0.00 C ATOM 1293 CE LYS A 88 -3.144 12.379 13.245 1.00 0.00 C ATOM 1294 NZ LYS A 88 -3.407 12.343 14.711 1.00 0.00 N ATOM 0 H LYS A 88 -1.308 13.730 8.891 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.584 15.617 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.742 15.518 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.404 16.066 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.267 13.858 11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.724 13.143 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.805 14.027 12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.438 14.504 13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.006 11.978 12.711 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.296 11.735 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.598 11.364 15.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.575 12.702 15.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.231 12.938 14.930 1.00 0.00 H new ATOM 1308 N LYS A 89 -1.894 17.644 9.055 1.00 0.00 N ATOM 1309 CA LYS A 89 -0.994 18.738 8.707 1.00 0.00 C ATOM 1310 C LYS A 89 -0.655 19.576 9.936 1.00 0.00 C ATOM 1311 O LYS A 89 -1.486 20.342 10.423 1.00 0.00 O ATOM 1312 CB LYS A 89 -1.626 19.622 7.631 1.00 0.00 C ATOM 1313 CG LYS A 89 -0.662 20.631 7.029 1.00 0.00 C ATOM 1314 CD LYS A 89 -1.354 21.531 6.020 1.00 0.00 C ATOM 1315 CE LYS A 89 -1.338 20.923 4.626 1.00 0.00 C ATOM 1316 NZ LYS A 89 -1.438 21.963 3.566 1.00 0.00 N ATOM 0 H LYS A 89 -2.762 17.939 9.502 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.071 18.307 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.018 18.988 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.474 20.154 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.228 21.239 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.161 20.105 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.384 21.703 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.861 22.503 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.419 20.352 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.167 20.222 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.424 21.508 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.327 22.491 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.634 22.618 3.645 1.00 0.00 H new ATOM 1330 N ASN A 90 0.568 19.426 10.431 1.00 0.00 N ATOM 1331 CA ASN A 90 1.016 20.171 11.602 1.00 0.00 C ATOM 1332 C ASN A 90 0.158 19.837 12.819 1.00 0.00 C ATOM 1333 O ASN A 90 0.017 20.648 13.733 1.00 0.00 O ATOM 1334 CB ASN A 90 0.967 21.675 11.325 1.00 0.00 C ATOM 1335 CG ASN A 90 2.210 22.174 10.617 1.00 0.00 C ATOM 1336 OD1 ASN A 90 3.301 22.190 11.189 1.00 0.00 O ATOM 1337 ND2 ASN A 90 2.052 22.584 9.363 1.00 0.00 N ATOM 0 H ASN A 90 1.267 18.795 10.040 1.00 0.00 H new ATOM 0 HA ASN A 90 2.045 19.882 11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.091 21.901 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.849 22.211 12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.853 22.930 8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.130 22.553 8.929 1.00 0.00 H new ATOM 1344 N GLY A 91 -0.412 18.636 12.823 1.00 0.00 N ATOM 1345 CA GLY A 91 -1.248 18.215 13.932 1.00 0.00 C ATOM 1346 C GLY A 91 -2.722 18.446 13.667 1.00 0.00 C ATOM 1347 O GLY A 91 -3.536 18.431 14.590 1.00 0.00 O ATOM 0 H GLY A 91 -0.310 17.947 12.078 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.079 17.156 14.129 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.954 18.757 14.831 1.00 0.00 H new ATOM 1351 N ASN A 92 -3.067 18.662 12.402 1.00 0.00 N ATOM 1352 CA ASN A 92 -4.454 18.900 12.017 1.00 0.00 C ATOM 1353 C ASN A 92 -4.860 17.995 10.857 1.00 0.00 C ATOM 1354 O ASN A 92 -4.545 18.274 9.700 1.00 0.00 O ATOM 1355 CB ASN A 92 -4.655 20.366 11.631 1.00 0.00 C ATOM 1356 CG ASN A 92 -4.913 21.252 12.834 1.00 0.00 C ATOM 1357 OD1 ASN A 92 -6.060 21.575 13.146 1.00 0.00 O ATOM 1358 ND2 ASN A 92 -3.846 21.649 13.517 1.00 0.00 N ATOM 0 H ASN A 92 -2.405 18.677 11.626 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.087 18.668 12.874 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.771 20.724 11.103 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.494 20.445 10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.958 22.246 14.336 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.914 21.357 13.222 1.00 0.00 H new ATOM 1365 N HIS A 93 -5.560 16.912 11.175 1.00 0.00 N ATOM 1366 CA HIS A 93 -6.010 15.967 10.159 1.00 0.00 C ATOM 1367 C HIS A 93 -6.359 16.690 8.862 1.00 0.00 C ATOM 1368 O HIS A 93 -6.984 17.750 8.878 1.00 0.00 O ATOM 1369 CB HIS A 93 -7.224 15.184 10.662 1.00 0.00 C ATOM 1370 CG HIS A 93 -6.865 13.945 11.422 1.00 0.00 C ATOM 1371 ND1 HIS A 93 -6.768 12.702 10.833 1.00 0.00 N ATOM 1372 CD2 HIS A 93 -6.574 13.762 12.731 1.00 0.00 C ATOM 1373 CE1 HIS A 93 -6.436 11.808 11.748 1.00 0.00 C ATOM 1374 NE2 HIS A 93 -6.313 12.426 12.909 1.00 0.00 N ATOM 0 H HIS A 93 -5.828 16.666 12.128 1.00 0.00 H new ATOM 0 HA HIS A 93 -5.195 15.271 9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.824 15.831 11.302 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -7.847 14.910 9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.551 14.526 13.494 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -6.290 10.752 11.576 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -6.065 11.983 13.793 1.00 0.00 H new ATOM 1383 N VAL A 94 -5.949 16.109 7.739 1.00 0.00 N ATOM 1384 CA VAL A 94 -6.217 16.697 6.432 1.00 0.00 C ATOM 1385 C VAL A 94 -7.399 16.014 5.754 1.00 0.00 C ATOM 1386 O VAL A 94 -7.984 15.078 6.299 1.00 0.00 O ATOM 1387 CB VAL A 94 -4.987 16.604 5.511 1.00 0.00 C ATOM 1388 CG1 VAL A 94 -3.781 17.265 6.161 1.00 0.00 C ATOM 1389 CG2 VAL A 94 -4.689 15.154 5.166 1.00 0.00 C ATOM 0 H VAL A 94 -5.430 15.232 7.708 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.456 17.747 6.601 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.207 17.136 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.922 17.189 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.001 18.315 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.555 16.765 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.817 15.107 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.489 14.596 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.547 14.718 4.655 1.00 0.00 H new ATOM 1399 N ALA A 95 -7.745 16.487 4.561 1.00 0.00 N ATOM 1400 CA ALA A 95 -8.855 15.919 3.807 1.00 0.00 C ATOM 1401 C ALA A 95 -8.554 14.487 3.380 1.00 0.00 C ATOM 1402 O ALA A 95 -7.407 14.139 3.107 1.00 0.00 O ATOM 1403 CB ALA A 95 -9.163 16.781 2.590 1.00 0.00 C ATOM 0 H ALA A 95 -7.272 17.262 4.096 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.730 15.900 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.994 16.345 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.431 17.786 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.284 16.830 1.947 1.00 0.00 H new ATOM 1409 N ASN A 96 -9.594 13.660 3.326 1.00 0.00 N ATOM 1410 CA ASN A 96 -9.439 12.263 2.934 1.00 0.00 C ATOM 1411 C ASN A 96 -8.541 11.518 3.916 1.00 0.00 C ATOM 1412 O ASN A 96 -7.865 10.556 3.550 1.00 0.00 O ATOM 1413 CB ASN A 96 -8.858 12.169 1.522 1.00 0.00 C ATOM 1414 CG ASN A 96 -9.747 12.827 0.486 1.00 0.00 C ATOM 1415 OD1 ASN A 96 -10.798 12.296 0.125 1.00 0.00 O ATOM 1416 ND2 ASN A 96 -9.330 13.991 0.000 1.00 0.00 N ATOM 0 H ASN A 96 -10.551 13.932 3.548 1.00 0.00 H new ATOM 0 HA ASN A 96 -10.425 11.797 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -7.875 12.639 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -8.714 11.121 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -9.887 14.480 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -8.453 14.395 0.327 1.00 0.00 H new ATOM 1423 N SER A 97 -8.538 11.970 5.167 1.00 0.00 N ATOM 1424 CA SER A 97 -7.720 11.349 6.202 1.00 0.00 C ATOM 1425 C SER A 97 -8.553 11.046 7.443 1.00 0.00 C ATOM 1426 O SER A 97 -9.430 11.815 7.837 1.00 0.00 O ATOM 1427 CB SER A 97 -6.548 12.259 6.571 1.00 0.00 C ATOM 1428 OG SER A 97 -5.684 11.629 7.500 1.00 0.00 O ATOM 0 H SER A 97 -9.093 12.764 5.487 1.00 0.00 H new ATOM 0 HA SER A 97 -7.331 10.410 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.991 12.521 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.926 13.190 6.995 1.00 0.00 H new ATOM 0 HG SER A 97 -5.335 12.297 8.127 1.00 0.00 H new ATOM 1434 N PRO A 98 -8.274 9.896 8.076 1.00 0.00 N ATOM 1435 CA PRO A 98 -7.234 8.972 7.617 1.00 0.00 C ATOM 1436 C PRO A 98 -7.610 8.277 6.313 1.00 0.00 C ATOM 1437 O PRO A 98 -8.791 8.124 5.997 1.00 0.00 O ATOM 1438 CB PRO A 98 -7.135 7.954 8.755 1.00 0.00 C ATOM 1439 CG PRO A 98 -8.471 7.992 9.414 1.00 0.00 C ATOM 1440 CD PRO A 98 -8.955 9.409 9.289 1.00 0.00 C ATOM 0 HA PRO A 98 -6.297 9.487 7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -6.909 6.957 8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.341 8.217 9.454 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.163 7.300 8.934 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.398 7.695 10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.039 9.456 9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.691 10.003 10.164 1.00 0.00 H new ATOM 1448 N VAL A 99 -6.600 7.857 5.558 1.00 0.00 N ATOM 1449 CA VAL A 99 -6.825 7.176 4.288 1.00 0.00 C ATOM 1450 C VAL A 99 -7.216 5.719 4.508 1.00 0.00 C ATOM 1451 O VAL A 99 -6.524 4.980 5.208 1.00 0.00 O ATOM 1452 CB VAL A 99 -5.575 7.232 3.391 1.00 0.00 C ATOM 1453 CG1 VAL A 99 -5.900 6.739 1.990 1.00 0.00 C ATOM 1454 CG2 VAL A 99 -5.012 8.645 3.351 1.00 0.00 C ATOM 0 H VAL A 99 -5.617 7.976 5.804 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.643 7.697 3.790 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.816 6.574 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.004 6.786 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.253 5.709 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.676 7.368 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.129 8.667 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.765 9.325 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.739 8.956 4.359 1.00 0.00 H new ATOM 1464 N SER A 100 -8.328 5.312 3.905 1.00 0.00 N ATOM 1465 CA SER A 100 -8.812 3.943 4.037 1.00 0.00 C ATOM 1466 C SER A 100 -8.263 3.062 2.919 1.00 0.00 C ATOM 1467 O SER A 100 -8.555 3.278 1.742 1.00 0.00 O ATOM 1468 CB SER A 100 -10.341 3.917 4.016 1.00 0.00 C ATOM 1469 OG SER A 100 -10.837 4.055 2.696 1.00 0.00 O ATOM 0 H SER A 100 -8.911 5.911 3.320 1.00 0.00 H new ATOM 0 HA SER A 100 -8.461 3.550 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.697 2.981 4.445 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.730 4.722 4.640 1.00 0.00 H new ATOM 0 HG SER A 100 -10.086 4.144 2.072 1.00 0.00 H new ATOM 1475 N ILE A 101 -7.465 2.069 3.295 1.00 0.00 N ATOM 1476 CA ILE A 101 -6.874 1.154 2.326 1.00 0.00 C ATOM 1477 C ILE A 101 -7.228 -0.293 2.650 1.00 0.00 C ATOM 1478 O ILE A 101 -7.426 -0.649 3.810 1.00 0.00 O ATOM 1479 CB ILE A 101 -5.341 1.297 2.278 1.00 0.00 C ATOM 1480 CG1 ILE A 101 -4.953 2.739 1.944 1.00 0.00 C ATOM 1481 CG2 ILE A 101 -4.751 0.335 1.258 1.00 0.00 C ATOM 1482 CD1 ILE A 101 -3.476 3.021 2.113 1.00 0.00 C ATOM 0 H ILE A 101 -7.212 1.877 4.264 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.286 1.417 1.352 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.936 1.049 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.241 2.955 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -5.520 3.417 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.667 0.448 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.004 -0.689 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.159 0.555 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.273 4.061 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.186 2.837 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.903 2.368 1.454 1.00 0.00 H new ATOM 1494 N MET A 102 -7.304 -1.124 1.614 1.00 0.00 N ATOM 1495 CA MET A 102 -7.631 -2.534 1.789 1.00 0.00 C ATOM 1496 C MET A 102 -6.440 -3.416 1.430 1.00 0.00 C ATOM 1497 O MET A 102 -5.991 -3.435 0.284 1.00 0.00 O ATOM 1498 CB MET A 102 -8.837 -2.910 0.926 1.00 0.00 C ATOM 1499 CG MET A 102 -9.364 -4.311 1.195 1.00 0.00 C ATOM 1500 SD MET A 102 -10.621 -4.344 2.488 1.00 0.00 S ATOM 1501 CE MET A 102 -10.027 -5.695 3.502 1.00 0.00 C ATOM 0 H MET A 102 -7.144 -0.845 0.646 1.00 0.00 H new ATOM 0 HA MET A 102 -7.879 -2.697 2.838 1.00 0.00 H new ATOM 0 HB2 MET A 102 -9.637 -2.190 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.560 -2.830 -0.125 1.00 0.00 H new ATOM 0 HG2 MET A 102 -9.783 -4.720 0.276 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.535 -4.958 1.483 1.00 0.00 H new ATOM 0 HE1 MET A 102 -10.270 -5.500 4.546 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.502 -6.624 3.186 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.946 -5.785 3.392 1.00 0.00 H new ATOM 1511 N VAL A 103 -5.931 -4.147 2.417 1.00 0.00 N ATOM 1512 CA VAL A 103 -4.793 -5.033 2.205 1.00 0.00 C ATOM 1513 C VAL A 103 -5.239 -6.488 2.107 1.00 0.00 C ATOM 1514 O VAL A 103 -6.003 -6.971 2.943 1.00 0.00 O ATOM 1515 CB VAL A 103 -3.759 -4.899 3.339 1.00 0.00 C ATOM 1516 CG1 VAL A 103 -2.568 -5.811 3.086 1.00 0.00 C ATOM 1517 CG2 VAL A 103 -3.313 -3.452 3.484 1.00 0.00 C ATOM 0 H VAL A 103 -6.289 -4.143 3.372 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.330 -4.734 1.264 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.228 -5.206 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.848 -5.703 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.906 -6.846 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.095 -5.539 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.583 -3.375 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.861 -3.115 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.175 -2.827 3.716 1.00 0.00 H new ATOM 1527 N VAL A 104 -4.756 -7.181 1.081 1.00 0.00 N ATOM 1528 CA VAL A 104 -5.103 -8.582 0.874 1.00 0.00 C ATOM 1529 C VAL A 104 -3.871 -9.407 0.524 1.00 0.00 C ATOM 1530 O VAL A 104 -2.914 -8.896 -0.059 1.00 0.00 O ATOM 1531 CB VAL A 104 -6.150 -8.741 -0.245 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -7.390 -7.916 0.062 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -5.557 -8.347 -1.589 1.00 0.00 C ATOM 0 H VAL A 104 -4.123 -6.795 0.380 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.525 -8.946 1.811 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.444 -9.789 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.118 -8.041 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.826 -8.251 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.116 -6.864 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.310 -8.465 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.233 -7.307 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.702 -8.986 -1.811 1.00 0.00 H new ATOM 1543 N GLN A 105 -3.901 -10.687 0.881 1.00 0.00 N ATOM 1544 CA GLN A 105 -2.785 -11.584 0.604 1.00 0.00 C ATOM 1545 C GLN A 105 -2.705 -11.910 -0.884 1.00 0.00 C ATOM 1546 O GLN A 105 -3.567 -12.603 -1.425 1.00 0.00 O ATOM 1547 CB GLN A 105 -2.927 -12.874 1.413 1.00 0.00 C ATOM 1548 CG GLN A 105 -2.725 -12.680 2.908 1.00 0.00 C ATOM 1549 CD GLN A 105 -2.313 -13.957 3.612 1.00 0.00 C ATOM 1550 OE1 GLN A 105 -3.051 -14.942 3.620 1.00 0.00 O ATOM 1551 NE2 GLN A 105 -1.126 -13.947 4.209 1.00 0.00 N ATOM 0 H GLN A 105 -4.686 -11.126 1.363 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.865 -11.079 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.918 -13.294 1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.203 -13.603 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.964 -11.918 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.649 -12.308 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.546 -13.108 4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.794 -14.778 4.699 1.00 0.00 H new ATOM 1560 N SER A 106 -1.666 -11.404 -1.540 1.00 0.00 N ATOM 1561 CA SER A 106 -1.476 -11.638 -2.967 1.00 0.00 C ATOM 1562 C SER A 106 -1.240 -13.119 -3.249 1.00 0.00 C ATOM 1563 O SER A 106 -0.660 -13.831 -2.431 1.00 0.00 O ATOM 1564 CB SER A 106 -0.296 -10.815 -3.488 1.00 0.00 C ATOM 1565 OG SER A 106 0.919 -11.229 -2.888 1.00 0.00 O ATOM 0 H SER A 106 -0.943 -10.830 -1.107 1.00 0.00 H new ATOM 0 HA SER A 106 -2.384 -11.327 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.225 -10.920 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.466 -9.758 -3.281 1.00 0.00 H new ATOM 0 HG SER A 106 1.538 -11.538 -3.582 1.00 0.00 H new ATOM 1571 N GLU A 107 -1.698 -13.574 -4.412 1.00 0.00 N ATOM 1572 CA GLU A 107 -1.538 -14.970 -4.800 1.00 0.00 C ATOM 1573 C GLU A 107 -0.837 -15.081 -6.151 1.00 0.00 C ATOM 1574 O GLU A 107 -1.352 -14.616 -7.169 1.00 0.00 O ATOM 1575 CB GLU A 107 -2.900 -15.665 -4.860 1.00 0.00 C ATOM 1576 CG GLU A 107 -2.812 -17.151 -5.162 1.00 0.00 C ATOM 1577 CD GLU A 107 -4.050 -17.910 -4.725 1.00 0.00 C ATOM 1578 OE1 GLU A 107 -4.433 -17.789 -3.542 1.00 0.00 O ATOM 1579 OE2 GLU A 107 -4.636 -18.623 -5.565 1.00 0.00 O ATOM 0 H GLU A 107 -2.182 -12.997 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.921 -15.462 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.412 -15.526 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.511 -15.183 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.663 -17.292 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.939 -17.569 -4.661 1.00 0.00 H new ATOM 1586 N ILE A 108 0.339 -15.701 -6.153 1.00 0.00 N ATOM 1587 CA ILE A 108 1.109 -15.874 -7.378 1.00 0.00 C ATOM 1588 C ILE A 108 1.138 -17.337 -7.807 1.00 0.00 C ATOM 1589 O ILE A 108 0.726 -17.679 -8.914 1.00 0.00 O ATOM 1590 CB ILE A 108 2.555 -15.371 -7.209 1.00 0.00 C ATOM 1591 CG1 ILE A 108 2.560 -13.895 -6.808 1.00 0.00 C ATOM 1592 CG2 ILE A 108 3.340 -15.578 -8.495 1.00 0.00 C ATOM 1593 CD1 ILE A 108 1.930 -12.985 -7.839 1.00 0.00 C ATOM 0 H ILE A 108 0.779 -16.092 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 108 0.615 -15.282 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 108 3.035 -15.945 -6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.029 -13.782 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.588 -13.578 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.360 -15.218 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.360 -16.639 -8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.864 -15.025 -9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.969 -11.954 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.475 -13.068 -8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.891 -13.276 -7.995 1.00 0.00 H new ATOM 1605 N GLY A 109 1.626 -18.199 -6.919 1.00 0.00 N ATOM 1606 CA GLY A 109 1.699 -19.616 -7.224 1.00 0.00 C ATOM 1607 C GLY A 109 0.625 -20.416 -6.516 1.00 0.00 C ATOM 1608 O GLY A 109 -0.551 -20.343 -6.873 1.00 0.00 O ATOM 0 H GLY A 109 1.972 -17.941 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.604 -19.758 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.680 -19.996 -6.938 1.00 0.00 H new ATOM 1612 N ASP A 110 1.027 -21.185 -5.509 1.00 0.00 N ATOM 1613 CA ASP A 110 0.090 -22.003 -4.749 1.00 0.00 C ATOM 1614 C ASP A 110 -0.639 -22.983 -5.662 1.00 0.00 C ATOM 1615 O ASP A 110 -1.826 -23.253 -5.478 1.00 0.00 O ATOM 1616 CB ASP A 110 -0.921 -21.116 -4.022 1.00 0.00 C ATOM 1617 CG ASP A 110 -0.279 -20.279 -2.932 1.00 0.00 C ATOM 1618 OD1 ASP A 110 0.690 -20.760 -2.308 1.00 0.00 O ATOM 1619 OD2 ASP A 110 -0.746 -19.144 -2.703 1.00 0.00 O ATOM 0 H ASP A 110 1.996 -21.258 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 110 0.657 -22.573 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.407 -20.458 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.700 -21.741 -3.585 1.00 0.00 H new ATOM 1624 N SER A 111 0.079 -23.514 -6.647 1.00 0.00 N ATOM 1625 CA SER A 111 -0.501 -24.460 -7.592 1.00 0.00 C ATOM 1626 C SER A 111 -0.540 -25.865 -6.999 1.00 0.00 C ATOM 1627 O SER A 111 -1.122 -26.781 -7.580 1.00 0.00 O ATOM 1628 CB SER A 111 0.300 -24.468 -8.896 1.00 0.00 C ATOM 1629 OG SER A 111 1.508 -25.194 -8.749 1.00 0.00 O ATOM 0 H SER A 111 1.064 -23.305 -6.811 1.00 0.00 H new ATOM 0 HA SER A 111 -1.523 -24.144 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.299 -24.911 -9.692 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.522 -23.444 -9.196 1.00 0.00 H new ATOM 0 HG SER A 111 1.396 -26.094 -9.119 1.00 0.00 H new ATOM 1635 N GLY A 112 0.085 -26.028 -5.836 1.00 0.00 N ATOM 1636 CA GLY A 112 0.110 -27.324 -5.182 1.00 0.00 C ATOM 1637 C GLY A 112 1.017 -28.311 -5.888 1.00 0.00 C ATOM 1638 O GLY A 112 1.930 -27.933 -6.623 1.00 0.00 O ATOM 0 H GLY A 112 0.574 -25.286 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.444 -27.201 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.902 -27.728 -5.144 1.00 0.00 H new ATOM 1642 N PRO A 113 0.772 -29.610 -5.665 1.00 0.00 N ATOM 1643 CA PRO A 113 1.564 -30.682 -6.274 1.00 0.00 C ATOM 1644 C PRO A 113 1.327 -30.795 -7.777 1.00 0.00 C ATOM 1645 O PRO A 113 2.157 -31.337 -8.507 1.00 0.00 O ATOM 1646 CB PRO A 113 1.067 -31.941 -5.561 1.00 0.00 C ATOM 1647 CG PRO A 113 -0.314 -31.604 -5.114 1.00 0.00 C ATOM 1648 CD PRO A 113 -0.299 -30.133 -4.800 1.00 0.00 C ATOM 0 HA PRO A 113 2.635 -30.508 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.067 -32.801 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 113 1.706 -32.195 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -1.042 -31.830 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -0.594 -32.188 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.258 -29.665 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.090 -29.949 -3.746 1.00 0.00 H new ATOM 1656 N SER A 114 0.190 -30.279 -8.233 1.00 0.00 N ATOM 1657 CA SER A 114 -0.156 -30.324 -9.648 1.00 0.00 C ATOM 1658 C SER A 114 0.713 -29.362 -10.452 1.00 0.00 C ATOM 1659 O SER A 114 0.883 -28.202 -10.079 1.00 0.00 O ATOM 1660 CB SER A 114 -1.635 -29.979 -9.845 1.00 0.00 C ATOM 1661 OG SER A 114 -1.864 -28.593 -9.655 1.00 0.00 O ATOM 0 H SER A 114 -0.507 -29.825 -7.643 1.00 0.00 H new ATOM 0 HA SER A 114 0.025 -31.337 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.949 -30.269 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.242 -30.551 -9.143 1.00 0.00 H new ATOM 0 HG SER A 114 -1.455 -28.306 -8.812 1.00 0.00 H new ATOM 1667 N SER A 115 1.262 -29.854 -11.558 1.00 0.00 N ATOM 1668 CA SER A 115 2.118 -29.040 -12.415 1.00 0.00 C ATOM 1669 C SER A 115 1.408 -28.695 -13.720 1.00 0.00 C ATOM 1670 O SER A 115 0.773 -29.546 -14.339 1.00 0.00 O ATOM 1671 CB SER A 115 3.426 -29.775 -12.710 1.00 0.00 C ATOM 1672 OG SER A 115 4.132 -29.153 -13.769 1.00 0.00 O ATOM 0 H SER A 115 1.130 -30.812 -11.882 1.00 0.00 H new ATOM 0 HA SER A 115 2.343 -28.113 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.047 -29.792 -11.815 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.214 -30.812 -12.970 1.00 0.00 H new ATOM 0 HG SER A 115 4.965 -29.640 -13.937 1.00 0.00 H new ATOM 1678 N GLY A 116 1.522 -27.435 -14.133 1.00 0.00 N ATOM 1679 CA GLY A 116 0.887 -26.998 -15.363 1.00 0.00 C ATOM 1680 C GLY A 116 0.280 -25.614 -15.240 1.00 0.00 C ATOM 1681 O GLY A 116 -0.502 -25.195 -16.093 1.00 0.00 O ATOM 0 H GLY A 116 2.042 -26.711 -13.638 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.622 -26.999 -16.168 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.109 -27.710 -15.640 1.00 0.00 H new TER 1685 GLY A 116