USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 757 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 7 GLN : amide:sc= -1.09 K(o=-0.99,f=-2.8!) USER MOD Set 1.2: A 11 TYR OH : rot 180:sc= 0.0973 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 9 SER OG : rot -38:sc= 1.22 USER MOD Single : A -1 GLY N :NH3+ 129:sc= 0.085 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.277 X(o=-0.28,f=0.13) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.059 F(o=-0.93!,f=-0.059) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -1.42! (180deg=-3.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -160:sc= 0.496 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -145:sc= -2.46! (180deg=-6.53!) USER MOD Single : A 50 LYS NZ :NH3+ 157:sc=-0.00319 (180deg=-0.244) USER MOD Single : A 53 SER OG : rot 50:sc= 0.506 USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= 0.0196 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -7.83! C(o=-7.8!,f=-17!) USER MOD Single : A 67 SER OG : rot 112:sc= -0.233 USER MOD Single : A 69 SER OG : rot -26:sc= 0.169! USER MOD Single : A 74 THR OG1 : rot 50:sc= -0.0487! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.32) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0024 X(o=-0.0024,f=-0.24) USER MOD Single : A 86 THR OG1 : rot 68:sc= 0.268 USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= 0.0457 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -9.710 -14.908 -10.079 1.00 0.00 N ATOM 2 CA GLY A -1 -9.066 -13.675 -9.660 1.00 0.00 C ATOM 3 C GLY A -1 -9.756 -13.087 -8.427 1.00 0.00 C ATOM 4 O GLY A -1 -10.917 -13.392 -8.157 1.00 0.00 O ATOM 0 H1 GLY A -1 -9.928 -14.858 -11.095 1.00 0.00 H new ATOM 0 H2 GLY A -1 -9.073 -15.710 -9.901 1.00 0.00 H new ATOM 0 H3 GLY A -1 -10.591 -15.040 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.016 -13.866 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.092 -12.952 -10.475 1.00 0.00 H new ATOM 8 N PRO A 0 -8.994 -12.233 -7.694 1.00 0.00 N ATOM 9 CA PRO A 0 -9.520 -11.600 -6.497 1.00 0.00 C ATOM 10 C PRO A 0 -10.495 -10.476 -6.854 1.00 0.00 C ATOM 11 O PRO A 0 -11.016 -10.433 -7.967 1.00 0.00 O ATOM 12 CB PRO A 0 -8.296 -11.106 -5.742 1.00 0.00 C ATOM 13 CG PRO A 0 -7.167 -11.066 -6.760 1.00 0.00 C ATOM 14 CD PRO A 0 -7.615 -11.849 -7.984 1.00 0.00 C ATOM 0 HA PRO A 0 -10.102 -12.285 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.472 -10.119 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.052 -11.772 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.933 -10.036 -7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.259 -11.500 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.555 -11.241 -8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.986 -12.724 -8.146 1.00 0.00 H new ATOM 22 N MET A 1 -10.712 -9.595 -5.888 1.00 0.00 N ATOM 23 CA MET A 1 -11.616 -8.475 -6.087 1.00 0.00 C ATOM 24 C MET A 1 -10.980 -7.410 -6.983 1.00 0.00 C ATOM 25 O MET A 1 -11.674 -6.748 -7.754 1.00 0.00 O ATOM 26 CB MET A 1 -11.970 -7.858 -4.732 1.00 0.00 C ATOM 27 CG MET A 1 -13.106 -8.630 -4.058 1.00 0.00 C ATOM 28 SD MET A 1 -13.564 -7.829 -2.530 1.00 0.00 S ATOM 29 CE MET A 1 -13.305 -9.175 -1.385 1.00 0.00 C ATOM 0 H MET A 1 -10.278 -9.634 -4.966 1.00 0.00 H new ATOM 0 HA MET A 1 -12.518 -8.842 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.091 -7.860 -4.087 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.263 -6.817 -4.868 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.967 -8.681 -4.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.794 -9.656 -3.861 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.546 -8.845 -0.375 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.948 -10.012 -1.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.262 -9.491 -1.424 1.00 0.00 H new ATOM 39 N GLU A 2 -9.668 -7.279 -6.852 1.00 0.00 N ATOM 40 CA GLU A 2 -8.932 -6.306 -7.641 1.00 0.00 C ATOM 41 C GLU A 2 -9.528 -4.909 -7.453 1.00 0.00 C ATOM 42 O GLU A 2 -10.629 -4.632 -7.926 1.00 0.00 O ATOM 43 CB GLU A 2 -8.912 -6.699 -9.119 1.00 0.00 C ATOM 44 CG GLU A 2 -8.858 -8.220 -9.281 1.00 0.00 C ATOM 45 CD GLU A 2 -10.189 -8.763 -9.807 1.00 0.00 C ATOM 46 OE1 GLU A 2 -11.180 -8.006 -9.731 1.00 0.00 O ATOM 47 OE2 GLU A 2 -10.184 -9.924 -10.271 1.00 0.00 O ATOM 0 H GLU A 2 -9.096 -7.830 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.900 -6.290 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.800 -6.308 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.049 -6.247 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.055 -8.488 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.625 -8.683 -8.322 1.00 0.00 H new ATOM 54 N PHE A 3 -8.774 -4.067 -6.762 1.00 0.00 N ATOM 55 CA PHE A 3 -9.214 -2.706 -6.506 1.00 0.00 C ATOM 56 C PHE A 3 -8.405 -1.704 -7.331 1.00 0.00 C ATOM 57 O PHE A 3 -7.176 -1.728 -7.313 1.00 0.00 O ATOM 58 CB PHE A 3 -8.979 -2.432 -5.019 1.00 0.00 C ATOM 59 CG PHE A 3 -9.980 -3.125 -4.092 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.955 -4.478 -3.955 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.894 -2.389 -3.406 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.884 -5.121 -3.095 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.823 -3.032 -2.546 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.799 -4.385 -2.409 1.00 0.00 C ATOM 0 H PHE A 3 -7.861 -4.301 -6.371 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.264 -2.597 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.972 -2.755 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.024 -1.357 -4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.229 -5.063 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.914 -1.315 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.864 -6.195 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.549 -2.447 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.506 -4.875 -1.756 1.00 0.00 H new ATOM 74 N THR A 4 -9.128 -0.846 -8.036 1.00 0.00 N ATOM 75 CA THR A 4 -8.493 0.163 -8.866 1.00 0.00 C ATOM 76 C THR A 4 -8.028 1.343 -8.010 1.00 0.00 C ATOM 77 O THR A 4 -8.571 1.585 -6.933 1.00 0.00 O ATOM 78 CB THR A 4 -9.481 0.562 -9.965 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.576 1.136 -9.256 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.090 -0.650 -10.672 1.00 0.00 C ATOM 0 H THR A 4 -10.148 -0.829 -8.049 1.00 0.00 H new ATOM 0 HA THR A 4 -7.594 -0.227 -9.343 1.00 0.00 H new ATOM 0 HB THR A 4 -8.975 1.193 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.263 1.424 -9.893 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.783 -0.312 -11.442 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.297 -1.240 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.624 -1.264 -9.947 1.00 0.00 H new ATOM 88 N ALA A 5 -7.028 2.045 -8.522 1.00 0.00 N ATOM 89 CA ALA A 5 -6.483 3.194 -7.818 1.00 0.00 C ATOM 90 C ALA A 5 -7.625 4.131 -7.419 1.00 0.00 C ATOM 91 O ALA A 5 -7.551 4.804 -6.392 1.00 0.00 O ATOM 92 CB ALA A 5 -5.442 3.886 -8.699 1.00 0.00 C ATOM 0 H ALA A 5 -6.581 1.841 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.979 2.880 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.033 4.748 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.638 3.187 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.912 4.217 -9.625 1.00 0.00 H new ATOM 98 N GLU A 6 -8.656 4.144 -8.252 1.00 0.00 N ATOM 99 CA GLU A 6 -9.812 4.987 -7.999 1.00 0.00 C ATOM 100 C GLU A 6 -10.634 4.426 -6.837 1.00 0.00 C ATOM 101 O GLU A 6 -11.037 5.167 -5.942 1.00 0.00 O ATOM 102 CB GLU A 6 -10.669 5.133 -9.257 1.00 0.00 C ATOM 103 CG GLU A 6 -10.952 6.606 -9.560 1.00 0.00 C ATOM 104 CD GLU A 6 -11.320 6.802 -11.032 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.379 7.000 -11.831 1.00 0.00 O ATOM 106 OE2 GLU A 6 -12.534 6.748 -11.326 1.00 0.00 O ATOM 0 H GLU A 6 -8.714 3.584 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.459 5.981 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.158 4.675 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.609 4.598 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.766 6.961 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.075 7.206 -9.318 1.00 0.00 H new ATOM 113 N GLN A 7 -10.858 3.121 -6.889 1.00 0.00 N ATOM 114 CA GLN A 7 -11.625 2.452 -5.852 1.00 0.00 C ATOM 115 C GLN A 7 -10.807 2.361 -4.562 1.00 0.00 C ATOM 116 O GLN A 7 -11.339 2.557 -3.470 1.00 0.00 O ATOM 117 CB GLN A 7 -12.078 1.065 -6.313 1.00 0.00 C ATOM 118 CG GLN A 7 -13.563 0.847 -6.016 1.00 0.00 C ATOM 119 CD GLN A 7 -13.759 0.211 -4.638 1.00 0.00 C ATOM 120 OE1 GLN A 7 -12.989 -0.625 -4.197 1.00 0.00 O ATOM 121 NE2 GLN A 7 -14.831 0.653 -3.986 1.00 0.00 N ATOM 0 H GLN A 7 -10.522 2.509 -7.633 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.519 3.042 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.897 0.956 -7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.487 0.300 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.090 1.800 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.000 0.206 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.435 1.355 -4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.049 0.290 -3.058 1.00 0.00 H new ATOM 130 N LEU A 8 -9.527 2.062 -4.730 1.00 0.00 N ATOM 131 CA LEU A 8 -8.631 1.942 -3.593 1.00 0.00 C ATOM 132 C LEU A 8 -8.624 3.259 -2.814 1.00 0.00 C ATOM 133 O LEU A 8 -8.664 3.257 -1.584 1.00 0.00 O ATOM 134 CB LEU A 8 -7.242 1.492 -4.051 1.00 0.00 C ATOM 135 CG LEU A 8 -6.065 1.983 -3.206 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.909 3.501 -3.314 1.00 0.00 C ATOM 137 CD2 LEU A 8 -6.203 1.523 -1.754 1.00 0.00 C ATOM 0 H LEU A 8 -9.089 1.899 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.983 1.169 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.222 0.402 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.093 1.829 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.152 1.536 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.065 3.824 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.731 3.775 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.819 3.986 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.353 1.885 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.126 1.921 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.228 0.434 -1.718 1.00 0.00 H new ATOM 149 N SER A 9 -8.573 4.352 -3.561 1.00 0.00 N ATOM 150 CA SER A 9 -8.561 5.672 -2.955 1.00 0.00 C ATOM 151 C SER A 9 -9.807 5.862 -2.088 1.00 0.00 C ATOM 152 O SER A 9 -9.868 6.784 -1.276 1.00 0.00 O ATOM 153 CB SER A 9 -8.485 6.767 -4.022 1.00 0.00 C ATOM 154 OG SER A 9 -9.698 6.875 -4.763 1.00 0.00 O ATOM 0 H SER A 9 -8.540 4.350 -4.580 1.00 0.00 H new ATOM 0 HA SER A 9 -7.674 5.751 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.265 7.722 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.662 6.553 -4.703 1.00 0.00 H new ATOM 0 HG SER A 9 -10.073 5.981 -4.909 1.00 0.00 H new ATOM 160 N GLN A 10 -10.770 4.975 -2.290 1.00 0.00 N ATOM 161 CA GLN A 10 -12.011 5.033 -1.536 1.00 0.00 C ATOM 162 C GLN A 10 -11.766 4.637 -0.079 1.00 0.00 C ATOM 163 O GLN A 10 -12.627 4.839 0.776 1.00 0.00 O ATOM 164 CB GLN A 10 -13.081 4.145 -2.173 1.00 0.00 C ATOM 165 CG GLN A 10 -13.135 4.351 -3.688 1.00 0.00 C ATOM 166 CD GLN A 10 -13.959 5.589 -4.044 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.494 6.510 -4.695 1.00 0.00 O ATOM 168 NE2 GLN A 10 -15.206 5.560 -3.583 1.00 0.00 N ATOM 0 H GLN A 10 -10.716 4.212 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.378 6.059 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.869 3.099 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.054 4.372 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.124 4.458 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.570 3.472 -4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.532 4.758 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.836 6.340 -3.768 1.00 0.00 H new ATOM 177 N TYR A 11 -10.587 4.081 0.160 1.00 0.00 N ATOM 178 CA TYR A 11 -10.218 3.655 1.499 1.00 0.00 C ATOM 179 C TYR A 11 -8.814 4.141 1.862 1.00 0.00 C ATOM 180 O TYR A 11 -7.973 3.355 2.295 1.00 0.00 O ATOM 181 CB TYR A 11 -10.224 2.125 1.472 1.00 0.00 C ATOM 182 CG TYR A 11 -11.478 1.518 0.838 1.00 0.00 C ATOM 183 CD1 TYR A 11 -11.549 1.353 -0.530 1.00 0.00 C ATOM 184 CD2 TYR A 11 -12.538 1.137 1.636 1.00 0.00 C ATOM 185 CE1 TYR A 11 -12.729 0.782 -1.126 1.00 0.00 C ATOM 186 CE2 TYR A 11 -13.718 0.566 1.040 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.755 0.417 -0.312 1.00 0.00 C ATOM 188 OH TYR A 11 -14.870 -0.122 -0.874 1.00 0.00 O ATOM 0 H TYR A 11 -9.875 3.916 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.910 4.063 2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.348 1.778 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.129 1.754 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.720 1.652 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.482 1.267 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.797 0.647 -2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.555 0.263 1.652 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.519 -0.336 -0.172 1.00 0.00 H new ATOM 198 N ASN A 12 -8.603 5.435 1.671 1.00 0.00 N ATOM 199 CA ASN A 12 -7.315 6.036 1.973 1.00 0.00 C ATOM 200 C ASN A 12 -7.337 6.592 3.398 1.00 0.00 C ATOM 201 O ASN A 12 -6.561 7.486 3.732 1.00 0.00 O ATOM 202 CB ASN A 12 -7.010 7.193 1.019 1.00 0.00 C ATOM 203 CG ASN A 12 -8.019 8.329 1.194 1.00 0.00 C ATOM 204 OD1 ASN A 12 -7.774 9.115 2.238 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -8.959 8.481 0.431 1.00 0.00 N flip ATOM 0 H ASN A 12 -9.303 6.084 1.311 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.551 5.267 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.002 7.565 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.034 6.836 -0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.089 7.840 -0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.615 9.249 0.576 1.00 0.00 H new ATOM 212 N GLY A 13 -8.236 6.040 4.200 1.00 0.00 N ATOM 213 CA GLY A 13 -8.370 6.470 5.582 1.00 0.00 C ATOM 214 C GLY A 13 -9.006 7.859 5.665 1.00 0.00 C ATOM 215 O GLY A 13 -8.360 8.861 5.364 1.00 0.00 O ATOM 0 H GLY A 13 -8.878 5.299 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.980 5.753 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.390 6.486 6.058 1.00 0.00 H new ATOM 219 N THR A 14 -10.266 7.873 6.074 1.00 0.00 N ATOM 220 CA THR A 14 -10.998 9.123 6.201 1.00 0.00 C ATOM 221 C THR A 14 -12.460 8.851 6.561 1.00 0.00 C ATOM 222 O THR A 14 -13.077 9.624 7.291 1.00 0.00 O ATOM 223 CB THR A 14 -10.829 9.903 4.896 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.303 11.162 5.310 1.00 0.00 O ATOM 225 CG2 THR A 14 -12.168 10.255 4.246 1.00 0.00 C ATOM 0 H THR A 14 -10.799 7.039 6.322 1.00 0.00 H new ATOM 0 HA THR A 14 -10.604 9.732 7.015 1.00 0.00 H new ATOM 0 HB THR A 14 -10.230 9.317 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.161 11.731 4.525 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.990 10.808 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.715 9.339 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.754 10.869 4.930 1.00 0.00 H new ATOM 233 N ASP A 15 -12.971 7.749 6.032 1.00 0.00 N ATOM 234 CA ASP A 15 -14.349 7.365 6.289 1.00 0.00 C ATOM 235 C ASP A 15 -14.426 6.621 7.623 1.00 0.00 C ATOM 236 O ASP A 15 -13.428 6.505 8.332 1.00 0.00 O ATOM 237 CB ASP A 15 -14.873 6.431 5.196 1.00 0.00 C ATOM 238 CG ASP A 15 -15.376 7.133 3.933 1.00 0.00 C ATOM 239 OD1 ASP A 15 -15.004 8.313 3.752 1.00 0.00 O ATOM 240 OD2 ASP A 15 -16.123 6.474 3.177 1.00 0.00 O ATOM 0 H ASP A 15 -12.456 7.110 5.427 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.954 8.272 6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.077 5.740 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.685 5.832 5.609 1.00 0.00 H new ATOM 245 N GLU A 16 -15.621 6.136 7.925 1.00 0.00 N ATOM 246 CA GLU A 16 -15.842 5.406 9.162 1.00 0.00 C ATOM 247 C GLU A 16 -15.793 3.898 8.905 1.00 0.00 C ATOM 248 O GLU A 16 -14.762 3.262 9.118 1.00 0.00 O ATOM 249 CB GLU A 16 -17.170 5.809 9.807 1.00 0.00 C ATOM 250 CG GLU A 16 -17.011 7.085 10.637 1.00 0.00 C ATOM 251 CD GLU A 16 -18.166 7.241 11.629 1.00 0.00 C ATOM 252 OE1 GLU A 16 -19.214 7.770 11.201 1.00 0.00 O ATOM 253 OE2 GLU A 16 -17.974 6.827 12.792 1.00 0.00 O ATOM 0 H GLU A 16 -16.447 6.234 7.334 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.044 5.662 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.922 5.965 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.530 5.000 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.065 7.056 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.975 7.951 9.976 1.00 0.00 H new ATOM 260 N SER A 17 -16.920 3.371 8.450 1.00 0.00 N ATOM 261 CA SER A 17 -17.018 1.950 8.162 1.00 0.00 C ATOM 262 C SER A 17 -15.964 1.552 7.127 1.00 0.00 C ATOM 263 O SER A 17 -15.325 0.509 7.256 1.00 0.00 O ATOM 264 CB SER A 17 -18.418 1.585 7.662 1.00 0.00 C ATOM 265 OG SER A 17 -18.834 0.304 8.127 1.00 0.00 O ATOM 0 H SER A 17 -17.773 3.902 8.274 1.00 0.00 H new ATOM 0 HA SER A 17 -16.837 1.400 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.130 2.340 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.428 1.596 6.572 1.00 0.00 H new ATOM 0 HG SER A 17 -19.732 0.109 7.788 1.00 0.00 H new ATOM 271 N LYS A 18 -15.816 2.404 6.123 1.00 0.00 N ATOM 272 CA LYS A 18 -14.850 2.154 5.066 1.00 0.00 C ATOM 273 C LYS A 18 -13.500 1.796 5.690 1.00 0.00 C ATOM 274 O LYS A 18 -12.951 2.567 6.475 1.00 0.00 O ATOM 275 CB LYS A 18 -14.788 3.343 4.105 1.00 0.00 C ATOM 276 CG LYS A 18 -15.408 2.987 2.752 1.00 0.00 C ATOM 277 CD LYS A 18 -16.837 2.467 2.924 1.00 0.00 C ATOM 278 CE LYS A 18 -17.234 1.560 1.758 1.00 0.00 C ATOM 279 NZ LYS A 18 -17.916 2.341 0.702 1.00 0.00 N ATOM 0 H LYS A 18 -16.348 3.268 6.019 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.158 1.301 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.315 4.193 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.751 3.648 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.412 3.866 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.799 2.231 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.917 1.916 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.528 3.307 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.347 1.078 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.892 0.767 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.179 1.710 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.773 2.781 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.276 3.082 0.350 1.00 0.00 H new ATOM 293 N PRO A 19 -12.990 0.595 5.306 1.00 0.00 N ATOM 294 CA PRO A 19 -11.714 0.125 5.819 1.00 0.00 C ATOM 295 C PRO A 19 -10.551 0.868 5.159 1.00 0.00 C ATOM 296 O PRO A 19 -10.757 1.875 4.483 1.00 0.00 O ATOM 297 CB PRO A 19 -11.702 -1.368 5.536 1.00 0.00 C ATOM 298 CG PRO A 19 -12.758 -1.599 4.467 1.00 0.00 C ATOM 299 CD PRO A 19 -13.613 -0.345 4.378 1.00 0.00 C ATOM 0 HA PRO A 19 -11.593 0.316 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.720 -1.692 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.928 -1.938 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.289 -1.810 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.373 -2.463 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.629 0.052 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.647 -0.550 4.656 1.00 0.00 H new ATOM 307 N ILE A 20 -9.355 0.342 5.377 1.00 0.00 N ATOM 308 CA ILE A 20 -8.159 0.943 4.812 1.00 0.00 C ATOM 309 C ILE A 20 -7.396 -0.110 4.005 1.00 0.00 C ATOM 310 O ILE A 20 -7.132 -1.205 4.501 1.00 0.00 O ATOM 311 CB ILE A 20 -7.321 1.603 5.909 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.137 2.653 6.665 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.028 2.186 5.335 1.00 0.00 C ATOM 314 CD1 ILE A 20 -7.943 2.514 8.176 1.00 0.00 C ATOM 0 H ILE A 20 -9.188 -0.494 5.937 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.425 1.743 4.121 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.036 0.836 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.836 3.651 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.193 2.544 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.451 2.649 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.441 1.389 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.270 2.936 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.534 3.272 8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.267 1.523 8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.889 2.647 8.421 1.00 0.00 H new ATOM 326 N TYR A 21 -7.064 0.257 2.777 1.00 0.00 N ATOM 327 CA TYR A 21 -6.338 -0.642 1.897 1.00 0.00 C ATOM 328 C TYR A 21 -5.093 0.038 1.324 1.00 0.00 C ATOM 329 O TYR A 21 -5.155 1.184 0.882 1.00 0.00 O ATOM 330 CB TYR A 21 -7.295 -0.976 0.751 1.00 0.00 C ATOM 331 CG TYR A 21 -8.568 -1.700 1.194 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.557 -2.480 2.333 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.726 -1.574 0.455 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.755 -3.162 2.750 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.924 -2.255 0.872 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.879 -3.016 1.999 1.00 0.00 C ATOM 337 OH TYR A 21 -12.011 -3.659 2.393 1.00 0.00 O ATOM 0 H TYR A 21 -7.285 1.166 2.370 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.011 -1.529 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.573 -0.053 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.771 -1.596 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.650 -2.579 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.734 -0.964 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.760 -3.775 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.838 -2.164 0.303 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.735 -3.463 1.762 1.00 0.00 H new ATOM 347 N VAL A 22 -3.991 -0.697 1.350 1.00 0.00 N ATOM 348 CA VAL A 22 -2.733 -0.179 0.839 1.00 0.00 C ATOM 349 C VAL A 22 -2.329 -0.971 -0.407 1.00 0.00 C ATOM 350 O VAL A 22 -2.657 -2.150 -0.530 1.00 0.00 O ATOM 351 CB VAL A 22 -1.669 -0.210 1.938 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.418 0.560 1.511 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.226 0.336 3.255 1.00 0.00 C ATOM 0 H VAL A 22 -3.943 -1.647 1.717 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.842 0.864 0.541 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.384 -1.249 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.323 0.523 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.003 0.109 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.681 1.598 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.450 0.303 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.552 1.366 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.073 -0.272 3.572 1.00 0.00 H new ATOM 363 N ALA A 23 -1.622 -0.291 -1.298 1.00 0.00 N ATOM 364 CA ALA A 23 -1.170 -0.916 -2.529 1.00 0.00 C ATOM 365 C ALA A 23 0.343 -1.134 -2.459 1.00 0.00 C ATOM 366 O ALA A 23 1.088 -0.226 -2.097 1.00 0.00 O ATOM 367 CB ALA A 23 -1.580 -0.051 -3.722 1.00 0.00 C ATOM 0 H ALA A 23 -1.351 0.687 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.638 -1.892 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.241 -0.520 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.665 0.049 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.127 0.936 -3.629 1.00 0.00 H new ATOM 373 N ILE A 24 0.751 -2.345 -2.812 1.00 0.00 N ATOM 374 CA ILE A 24 2.161 -2.693 -2.794 1.00 0.00 C ATOM 375 C ILE A 24 2.449 -3.693 -3.915 1.00 0.00 C ATOM 376 O ILE A 24 1.938 -4.812 -3.901 1.00 0.00 O ATOM 377 CB ILE A 24 2.573 -3.190 -1.406 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.364 -2.102 -0.351 1.00 0.00 C ATOM 379 CG2 ILE A 24 4.011 -3.712 -1.415 1.00 0.00 C ATOM 380 CD1 ILE A 24 2.671 -2.633 1.051 1.00 0.00 C ATOM 0 H ILE A 24 0.130 -3.096 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 24 2.773 -1.812 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 24 1.929 -4.027 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.007 -1.250 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.335 -1.744 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.278 -4.059 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.094 -4.539 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.687 -2.911 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.515 -1.840 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.010 -3.470 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.707 -2.968 1.094 1.00 0.00 H new ATOM 392 N LYS A 25 3.267 -3.254 -4.861 1.00 0.00 N ATOM 393 CA LYS A 25 3.629 -4.097 -5.988 1.00 0.00 C ATOM 394 C LYS A 25 2.402 -4.308 -6.877 1.00 0.00 C ATOM 395 O LYS A 25 2.407 -5.170 -7.754 1.00 0.00 O ATOM 396 CB LYS A 25 4.266 -5.400 -5.500 1.00 0.00 C ATOM 397 CG LYS A 25 5.667 -5.149 -4.940 1.00 0.00 C ATOM 398 CD LYS A 25 6.686 -4.981 -6.069 1.00 0.00 C ATOM 399 CE LYS A 25 6.708 -6.213 -6.977 1.00 0.00 C ATOM 400 NZ LYS A 25 5.769 -6.040 -8.107 1.00 0.00 N ATOM 0 H LYS A 25 3.689 -2.326 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 25 4.387 -3.608 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.638 -5.850 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.322 -6.112 -6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.659 -4.255 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.961 -5.981 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.440 -4.096 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.678 -4.818 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.717 -6.375 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.437 -7.100 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.093 -6.831 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.252 -5.145 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.301 -6.023 -9.001 1.00 0.00 H new ATOM 414 N GLY A 26 1.379 -3.505 -6.619 1.00 0.00 N ATOM 415 CA GLY A 26 0.148 -3.593 -7.385 1.00 0.00 C ATOM 416 C GLY A 26 -0.882 -4.470 -6.669 1.00 0.00 C ATOM 417 O GLY A 26 -1.882 -4.869 -7.263 1.00 0.00 O ATOM 0 H GLY A 26 1.378 -2.791 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.262 -2.595 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.358 -4.005 -8.372 1.00 0.00 H new ATOM 421 N ARG A 27 -0.601 -4.745 -5.404 1.00 0.00 N ATOM 422 CA ARG A 27 -1.489 -5.567 -4.601 1.00 0.00 C ATOM 423 C ARG A 27 -2.100 -4.740 -3.468 1.00 0.00 C ATOM 424 O ARG A 27 -1.394 -4.002 -2.783 1.00 0.00 O ATOM 425 CB ARG A 27 -0.744 -6.763 -4.005 1.00 0.00 C ATOM 426 CG ARG A 27 -1.713 -7.898 -3.664 1.00 0.00 C ATOM 427 CD ARG A 27 -0.983 -9.053 -2.976 1.00 0.00 C ATOM 428 NE ARG A 27 -0.534 -10.040 -3.983 1.00 0.00 N ATOM 429 CZ ARG A 27 -1.362 -10.813 -4.699 1.00 0.00 C ATOM 430 NH1 ARG A 27 -2.687 -10.718 -4.522 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.865 -11.681 -5.591 1.00 0.00 N ATOM 0 H ARG A 27 0.230 -4.413 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.280 -5.935 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.004 -7.119 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.211 -6.453 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.503 -7.523 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.193 -8.257 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.126 -8.673 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.644 -9.533 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 27 0.469 -10.138 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.065 -10.058 -3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.318 -11.306 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.144 -11.753 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.495 -12.269 -6.136 1.00 0.00 H new ATOM 445 N VAL A 28 -3.407 -4.890 -3.306 1.00 0.00 N ATOM 446 CA VAL A 28 -4.121 -4.166 -2.269 1.00 0.00 C ATOM 447 C VAL A 28 -4.082 -4.974 -0.970 1.00 0.00 C ATOM 448 O VAL A 28 -4.537 -6.116 -0.932 1.00 0.00 O ATOM 449 CB VAL A 28 -5.543 -3.851 -2.735 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.397 -3.331 -1.576 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.532 -2.856 -3.897 1.00 0.00 C ATOM 0 H VAL A 28 -3.990 -5.503 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.639 -3.209 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.991 -4.778 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.403 -3.115 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.446 -4.087 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.951 -2.421 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.556 -2.649 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.056 -1.929 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.976 -3.280 -4.734 1.00 0.00 H new ATOM 461 N PHE A 29 -3.534 -4.349 0.062 1.00 0.00 N ATOM 462 CA PHE A 29 -3.430 -4.995 1.359 1.00 0.00 C ATOM 463 C PHE A 29 -4.277 -4.267 2.404 1.00 0.00 C ATOM 464 O PHE A 29 -4.492 -3.060 2.303 1.00 0.00 O ATOM 465 CB PHE A 29 -1.960 -4.929 1.775 1.00 0.00 C ATOM 466 CG PHE A 29 -1.047 -5.872 0.988 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.163 -7.218 1.143 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.120 -5.363 0.132 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.316 -8.092 0.412 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.727 -6.238 -0.598 1.00 0.00 C ATOM 471 CZ PHE A 29 0.611 -7.584 -0.443 1.00 0.00 C ATOM 0 H PHE A 29 -3.157 -3.402 0.026 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.788 -6.022 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.603 -3.907 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.882 -5.166 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.899 -7.622 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.028 -4.294 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.408 -9.161 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.464 -5.834 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.255 -8.249 -0.999 1.00 0.00 H new ATOM 481 N ASP A 30 -4.735 -5.031 3.385 1.00 0.00 N ATOM 482 CA ASP A 30 -5.554 -4.473 4.448 1.00 0.00 C ATOM 483 C ASP A 30 -4.660 -4.099 5.632 1.00 0.00 C ATOM 484 O ASP A 30 -3.879 -4.922 6.109 1.00 0.00 O ATOM 485 CB ASP A 30 -6.587 -5.489 4.939 1.00 0.00 C ATOM 486 CG ASP A 30 -6.999 -5.337 6.404 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.079 -5.206 7.241 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.223 -5.356 6.655 1.00 0.00 O ATOM 0 H ASP A 30 -4.555 -6.032 3.466 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.069 -3.598 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.478 -5.408 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.186 -6.492 4.792 1.00 0.00 H new ATOM 493 N VAL A 31 -4.803 -2.858 6.072 1.00 0.00 N ATOM 494 CA VAL A 31 -4.018 -2.365 7.192 1.00 0.00 C ATOM 495 C VAL A 31 -4.951 -1.719 8.218 1.00 0.00 C ATOM 496 O VAL A 31 -4.492 -1.141 9.202 1.00 0.00 O ATOM 497 CB VAL A 31 -2.931 -1.414 6.689 1.00 0.00 C ATOM 498 CG1 VAL A 31 -1.996 -2.120 5.705 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.545 -0.162 6.059 1.00 0.00 C ATOM 0 H VAL A 31 -5.451 -2.178 5.673 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.506 -3.187 7.692 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.338 -1.100 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.233 -1.421 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.518 -2.966 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.570 -2.477 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.750 0.497 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.174 -0.450 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.149 0.360 6.801 1.00 0.00 H new ATOM 509 N THR A 32 -6.243 -1.837 7.952 1.00 0.00 N ATOM 510 CA THR A 32 -7.245 -1.271 8.841 1.00 0.00 C ATOM 511 C THR A 32 -6.981 -1.703 10.285 1.00 0.00 C ATOM 512 O THR A 32 -7.423 -1.043 11.224 1.00 0.00 O ATOM 513 CB THR A 32 -8.624 -1.687 8.324 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.338 -2.057 9.500 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.576 -2.972 7.496 1.00 0.00 C ATOM 0 H THR A 32 -6.620 -2.316 7.134 1.00 0.00 H new ATOM 0 HA THR A 32 -7.199 -0.182 8.847 1.00 0.00 H new ATOM 0 HB THR A 32 -9.043 -0.882 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.245 -2.339 9.257 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.580 -3.222 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.925 -2.825 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.188 -3.786 8.109 1.00 0.00 H new ATOM 523 N THR A 33 -6.262 -2.808 10.417 1.00 0.00 N ATOM 524 CA THR A 33 -5.935 -3.335 11.730 1.00 0.00 C ATOM 525 C THR A 33 -5.264 -2.258 12.585 1.00 0.00 C ATOM 526 O THR A 33 -5.067 -2.446 13.785 1.00 0.00 O ATOM 527 CB THR A 33 -5.071 -4.583 11.537 1.00 0.00 C ATOM 528 OG1 THR A 33 -3.829 -4.075 11.058 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.574 -5.473 10.398 1.00 0.00 C ATOM 0 H THR A 33 -5.897 -3.353 9.636 1.00 0.00 H new ATOM 0 HA THR A 33 -6.834 -3.625 12.275 1.00 0.00 H new ATOM 0 HB THR A 33 -5.050 -5.157 12.464 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.208 -4.818 10.907 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.926 -6.344 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.591 -5.799 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.564 -4.910 9.465 1.00 0.00 H new ATOM 537 N GLY A 34 -4.932 -1.153 11.934 1.00 0.00 N ATOM 538 CA GLY A 34 -4.287 -0.046 12.620 1.00 0.00 C ATOM 539 C GLY A 34 -4.667 1.291 11.980 1.00 0.00 C ATOM 540 O GLY A 34 -3.796 2.080 11.618 1.00 0.00 O ATOM 0 H GLY A 34 -5.097 -1.000 10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.577 -0.046 13.671 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.205 -0.174 12.588 1.00 0.00 H new ATOM 544 N LYS A 35 -5.969 1.504 11.861 1.00 0.00 N ATOM 545 CA LYS A 35 -6.475 2.732 11.271 1.00 0.00 C ATOM 546 C LYS A 35 -5.792 3.930 11.933 1.00 0.00 C ATOM 547 O LYS A 35 -5.705 5.005 11.341 1.00 0.00 O ATOM 548 CB LYS A 35 -8.003 2.774 11.350 1.00 0.00 C ATOM 549 CG LYS A 35 -8.468 3.720 12.459 1.00 0.00 C ATOM 550 CD LYS A 35 -9.994 3.722 12.573 1.00 0.00 C ATOM 551 CE LYS A 35 -10.484 4.948 13.346 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.441 5.728 12.529 1.00 0.00 N ATOM 0 H LYS A 35 -6.689 0.847 12.163 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.232 2.773 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.411 3.100 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.389 1.772 11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.029 3.416 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.114 4.730 12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.437 3.715 11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.326 2.814 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.961 4.633 14.274 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.636 5.575 13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.764 6.556 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.974 6.044 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.259 5.132 12.288 1.00 0.00 H new ATOM 566 N SER A 36 -5.325 3.705 13.152 1.00 0.00 N ATOM 567 CA SER A 36 -4.652 4.753 13.901 1.00 0.00 C ATOM 568 C SER A 36 -3.313 5.090 13.241 1.00 0.00 C ATOM 569 O SER A 36 -2.724 6.133 13.521 1.00 0.00 O ATOM 570 CB SER A 36 -4.436 4.337 15.357 1.00 0.00 C ATOM 571 OG SER A 36 -5.477 4.809 16.207 1.00 0.00 O ATOM 0 H SER A 36 -5.399 2.812 13.640 1.00 0.00 H new ATOM 0 HA SER A 36 -5.286 5.639 13.895 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.382 3.250 15.419 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.479 4.724 15.707 1.00 0.00 H new ATOM 0 HG SER A 36 -5.303 4.521 17.128 1.00 0.00 H new ATOM 577 N PHE A 37 -2.871 4.188 12.377 1.00 0.00 N ATOM 578 CA PHE A 37 -1.613 4.377 11.676 1.00 0.00 C ATOM 579 C PHE A 37 -1.852 4.714 10.202 1.00 0.00 C ATOM 580 O PHE A 37 -1.078 5.454 9.598 1.00 0.00 O ATOM 581 CB PHE A 37 -0.848 3.055 11.766 1.00 0.00 C ATOM 582 CG PHE A 37 -0.591 2.582 13.198 1.00 0.00 C ATOM 583 CD1 PHE A 37 -1.601 2.031 13.924 1.00 0.00 C ATOM 584 CD2 PHE A 37 0.647 2.711 13.746 1.00 0.00 C ATOM 585 CE1 PHE A 37 -1.363 1.592 15.253 1.00 0.00 C ATOM 586 CE2 PHE A 37 0.885 2.271 15.075 1.00 0.00 C ATOM 587 CZ PHE A 37 -0.125 1.721 15.800 1.00 0.00 C ATOM 0 H PHE A 37 -3.362 3.324 12.147 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.057 5.201 12.124 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.409 2.286 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.108 3.164 11.253 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.584 1.927 13.489 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.449 3.148 13.170 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.165 1.156 15.829 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.868 2.373 15.510 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.056 1.386 16.811 1.00 0.00 H new ATOM 597 N TYR A 38 -2.928 4.155 9.667 1.00 0.00 N ATOM 598 CA TYR A 38 -3.279 4.387 8.277 1.00 0.00 C ATOM 599 C TYR A 38 -4.483 5.324 8.164 1.00 0.00 C ATOM 600 O TYR A 38 -4.519 6.192 7.293 1.00 0.00 O ATOM 601 CB TYR A 38 -3.656 3.020 7.703 1.00 0.00 C ATOM 602 CG TYR A 38 -2.500 2.295 7.010 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.035 2.745 5.791 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.922 1.192 7.604 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.947 2.063 5.139 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.835 0.509 6.952 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.401 0.979 5.752 1.00 0.00 C ATOM 608 OH TYR A 38 0.626 0.335 5.136 1.00 0.00 O ATOM 0 H TYR A 38 -3.568 3.542 10.172 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.448 4.850 7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.035 2.391 8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.470 3.149 6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.487 3.609 5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.285 0.841 8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.573 2.405 4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.375 -0.357 7.405 1.00 0.00 H new ATOM 0 HH TYR A 38 0.704 -0.574 5.495 1.00 0.00 H new ATOM 618 N GLY A 39 -5.439 5.116 9.057 1.00 0.00 N ATOM 619 CA GLY A 39 -6.642 5.932 9.069 1.00 0.00 C ATOM 620 C GLY A 39 -6.301 7.414 8.899 1.00 0.00 C ATOM 621 O GLY A 39 -5.131 7.791 8.913 1.00 0.00 O ATOM 0 H GLY A 39 -5.406 4.395 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.309 5.614 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.177 5.784 10.007 1.00 0.00 H new ATOM 625 N SER A 40 -7.346 8.214 8.742 1.00 0.00 N ATOM 626 CA SER A 40 -7.172 9.646 8.569 1.00 0.00 C ATOM 627 C SER A 40 -5.959 10.126 9.369 1.00 0.00 C ATOM 628 O SER A 40 -5.765 9.720 10.513 1.00 0.00 O ATOM 629 CB SER A 40 -8.427 10.409 9.000 1.00 0.00 C ATOM 630 OG SER A 40 -8.369 11.784 8.630 1.00 0.00 O ATOM 0 H SER A 40 -8.316 7.898 8.731 1.00 0.00 H new ATOM 0 HA SER A 40 -7.004 9.845 7.511 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.305 9.948 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.547 10.329 10.080 1.00 0.00 H new ATOM 0 HG SER A 40 -9.188 12.236 8.921 1.00 0.00 H new ATOM 636 N GLY A 41 -5.174 10.984 8.733 1.00 0.00 N ATOM 637 CA GLY A 41 -3.985 11.524 9.371 1.00 0.00 C ATOM 638 C GLY A 41 -3.284 10.458 10.215 1.00 0.00 C ATOM 639 O GLY A 41 -3.035 10.665 11.402 1.00 0.00 O ATOM 0 H GLY A 41 -5.338 11.318 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.300 11.901 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.259 12.370 10.001 1.00 0.00 H new ATOM 643 N GLY A 42 -2.985 9.340 9.570 1.00 0.00 N ATOM 644 CA GLY A 42 -2.317 8.241 10.246 1.00 0.00 C ATOM 645 C GLY A 42 -0.852 8.142 9.817 1.00 0.00 C ATOM 646 O GLY A 42 -0.439 8.784 8.852 1.00 0.00 O ATOM 0 H GLY A 42 -3.193 9.172 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.375 8.384 11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.829 7.306 10.021 1.00 0.00 H new ATOM 650 N ASP A 43 -0.106 7.332 10.554 1.00 0.00 N ATOM 651 CA ASP A 43 1.304 7.140 10.261 1.00 0.00 C ATOM 652 C ASP A 43 1.502 7.078 8.745 1.00 0.00 C ATOM 653 O ASP A 43 2.271 7.857 8.184 1.00 0.00 O ATOM 654 CB ASP A 43 1.818 5.829 10.859 1.00 0.00 C ATOM 655 CG ASP A 43 2.503 5.964 12.221 1.00 0.00 C ATOM 656 OD1 ASP A 43 2.031 6.807 13.013 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.484 5.220 12.438 1.00 0.00 O ATOM 0 H ASP A 43 -0.452 6.801 11.353 1.00 0.00 H new ATOM 0 HA ASP A 43 1.855 7.974 10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.980 5.139 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.521 5.379 10.158 1.00 0.00 H new ATOM 662 N TYR A 44 0.796 6.143 8.126 1.00 0.00 N ATOM 663 CA TYR A 44 0.885 5.969 6.686 1.00 0.00 C ATOM 664 C TYR A 44 -0.189 6.789 5.968 1.00 0.00 C ATOM 665 O TYR A 44 -0.754 6.341 4.972 1.00 0.00 O ATOM 666 CB TYR A 44 0.634 4.483 6.425 1.00 0.00 C ATOM 667 CG TYR A 44 1.180 3.559 7.516 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.543 3.421 7.685 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.310 2.863 8.330 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.057 2.552 8.712 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.824 1.993 9.356 1.00 0.00 C ATOM 672 CZ TYR A 44 2.172 1.881 9.497 1.00 0.00 C ATOM 673 OH TYR A 44 2.657 1.059 10.466 1.00 0.00 O ATOM 0 H TYR A 44 0.160 5.498 8.595 1.00 0.00 H new ATOM 0 HA TYR A 44 1.856 6.300 6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.439 4.318 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.087 4.210 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.224 3.965 7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.756 2.971 8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.121 2.436 8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.154 1.442 9.999 1.00 0.00 H new ATOM 0 HH TYR A 44 1.911 0.647 10.949 1.00 0.00 H new ATOM 683 N SER A 45 -0.438 7.976 6.502 1.00 0.00 N ATOM 684 CA SER A 45 -1.434 8.862 5.924 1.00 0.00 C ATOM 685 C SER A 45 -1.167 9.045 4.429 1.00 0.00 C ATOM 686 O SER A 45 -2.077 9.370 3.667 1.00 0.00 O ATOM 687 CB SER A 45 -1.441 10.219 6.631 1.00 0.00 C ATOM 688 OG SER A 45 -0.159 10.842 6.603 1.00 0.00 O ATOM 0 H SER A 45 0.033 8.345 7.328 1.00 0.00 H new ATOM 0 HA SER A 45 -2.415 8.407 6.059 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.172 10.872 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.758 10.087 7.666 1.00 0.00 H new ATOM 0 HG SER A 45 -0.205 11.706 7.063 1.00 0.00 H new ATOM 694 N MET A 46 0.084 8.827 4.052 1.00 0.00 N ATOM 695 CA MET A 46 0.482 8.964 2.661 1.00 0.00 C ATOM 696 C MET A 46 0.217 7.672 1.886 1.00 0.00 C ATOM 697 O MET A 46 -0.086 7.710 0.694 1.00 0.00 O ATOM 698 CB MET A 46 1.971 9.307 2.587 1.00 0.00 C ATOM 699 CG MET A 46 2.798 8.352 3.450 1.00 0.00 C ATOM 700 SD MET A 46 3.143 9.102 5.033 1.00 0.00 S ATOM 701 CE MET A 46 3.613 10.740 4.504 1.00 0.00 C ATOM 0 H MET A 46 0.836 8.556 4.686 1.00 0.00 H new ATOM 0 HA MET A 46 -0.107 9.763 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.309 9.253 1.552 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.128 10.333 2.920 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.257 7.416 3.592 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.731 8.107 2.943 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.397 11.123 5.158 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.983 10.699 3.480 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.747 11.400 4.551 1.00 0.00 H new ATOM 711 N PHE A 47 0.340 6.559 2.594 1.00 0.00 N ATOM 712 CA PHE A 47 0.117 5.257 1.987 1.00 0.00 C ATOM 713 C PHE A 47 -1.378 4.964 1.853 1.00 0.00 C ATOM 714 O PHE A 47 -1.806 4.331 0.889 1.00 0.00 O ATOM 715 CB PHE A 47 0.748 4.217 2.915 1.00 0.00 C ATOM 716 CG PHE A 47 2.230 4.462 3.208 1.00 0.00 C ATOM 717 CD1 PHE A 47 2.906 5.428 2.531 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.870 3.713 4.145 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.281 5.655 2.803 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.245 3.940 4.417 1.00 0.00 C ATOM 721 CZ PHE A 47 4.922 4.906 3.740 1.00 0.00 C ATOM 0 H PHE A 47 0.591 6.531 3.582 1.00 0.00 H new ATOM 0 HA PHE A 47 0.556 5.231 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.199 4.205 3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.635 3.230 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.397 6.023 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.333 2.946 4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.818 6.423 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.753 3.345 5.162 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.968 5.078 3.946 1.00 0.00 H new ATOM 731 N ALA A 48 -2.132 5.437 2.834 1.00 0.00 N ATOM 732 CA ALA A 48 -3.571 5.233 2.838 1.00 0.00 C ATOM 733 C ALA A 48 -4.120 5.476 1.431 1.00 0.00 C ATOM 734 O ALA A 48 -4.088 6.601 0.934 1.00 0.00 O ATOM 735 CB ALA A 48 -4.214 6.150 3.881 1.00 0.00 C ATOM 0 H ALA A 48 -1.774 5.961 3.632 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.812 4.206 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.293 5.997 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.812 5.918 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.996 7.189 3.636 1.00 0.00 H new ATOM 741 N GLY A 49 -4.610 4.403 0.828 1.00 0.00 N ATOM 742 CA GLY A 49 -5.165 4.486 -0.513 1.00 0.00 C ATOM 743 C GLY A 49 -4.114 4.973 -1.512 1.00 0.00 C ATOM 744 O GLY A 49 -4.423 5.748 -2.416 1.00 0.00 O ATOM 0 H GLY A 49 -4.634 3.472 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.536 3.508 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.017 5.165 -0.516 1.00 0.00 H new ATOM 748 N LYS A 50 -2.892 4.498 -1.316 1.00 0.00 N ATOM 749 CA LYS A 50 -1.794 4.875 -2.189 1.00 0.00 C ATOM 750 C LYS A 50 -0.710 3.797 -2.133 1.00 0.00 C ATOM 751 O LYS A 50 -0.456 3.222 -1.076 1.00 0.00 O ATOM 752 CB LYS A 50 -1.287 6.276 -1.838 1.00 0.00 C ATOM 753 CG LYS A 50 -2.394 7.318 -2.010 1.00 0.00 C ATOM 754 CD LYS A 50 -1.839 8.736 -1.858 1.00 0.00 C ATOM 755 CE LYS A 50 -1.265 9.245 -3.182 1.00 0.00 C ATOM 756 NZ LYS A 50 0.202 9.413 -3.081 1.00 0.00 N ATOM 0 H LYS A 50 -2.639 3.856 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.133 4.933 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.927 6.289 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.440 6.531 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.854 7.207 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.176 7.148 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.630 9.405 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.063 8.746 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.502 8.543 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.729 10.196 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.622 9.373 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.417 10.333 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.599 8.651 -2.495 1.00 0.00 H new ATOM 770 N ASP A 51 -0.100 3.556 -3.284 1.00 0.00 N ATOM 771 CA ASP A 51 0.951 2.557 -3.379 1.00 0.00 C ATOM 772 C ASP A 51 2.282 3.181 -2.957 1.00 0.00 C ATOM 773 O ASP A 51 2.909 3.901 -3.733 1.00 0.00 O ATOM 774 CB ASP A 51 1.101 2.050 -4.815 1.00 0.00 C ATOM 775 CG ASP A 51 2.218 1.026 -5.026 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.371 1.365 -4.682 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.893 -0.072 -5.526 1.00 0.00 O ATOM 0 H ASP A 51 -0.313 4.035 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 51 0.684 1.724 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.157 1.605 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.283 2.903 -5.468 1.00 0.00 H new ATOM 782 N ALA A 52 2.675 2.884 -1.727 1.00 0.00 N ATOM 783 CA ALA A 52 3.921 3.407 -1.192 1.00 0.00 C ATOM 784 C ALA A 52 5.040 2.392 -1.432 1.00 0.00 C ATOM 785 O ALA A 52 5.666 1.917 -0.486 1.00 0.00 O ATOM 786 CB ALA A 52 3.741 3.736 0.292 1.00 0.00 C ATOM 0 H ALA A 52 2.152 2.288 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 52 4.199 4.331 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.675 4.128 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.955 4.482 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.464 2.832 0.834 1.00 0.00 H new ATOM 792 N SER A 53 5.259 2.090 -2.704 1.00 0.00 N ATOM 793 CA SER A 53 6.292 1.141 -3.081 1.00 0.00 C ATOM 794 C SER A 53 7.673 1.781 -2.924 1.00 0.00 C ATOM 795 O SER A 53 8.542 1.233 -2.249 1.00 0.00 O ATOM 796 CB SER A 53 6.093 0.652 -4.517 1.00 0.00 C ATOM 797 OG SER A 53 5.052 -0.317 -4.611 1.00 0.00 O ATOM 0 H SER A 53 4.738 2.486 -3.486 1.00 0.00 H new ATOM 0 HA SER A 53 6.222 0.278 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.858 1.500 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.024 0.221 -4.886 1.00 0.00 H new ATOM 0 HG SER A 53 4.253 0.015 -4.150 1.00 0.00 H new ATOM 803 N ARG A 54 7.832 2.932 -3.561 1.00 0.00 N ATOM 804 CA ARG A 54 9.092 3.652 -3.501 1.00 0.00 C ATOM 805 C ARG A 54 9.325 4.199 -2.091 1.00 0.00 C ATOM 806 O ARG A 54 10.457 4.225 -1.610 1.00 0.00 O ATOM 807 CB ARG A 54 9.112 4.812 -4.499 1.00 0.00 C ATOM 808 CG ARG A 54 8.286 4.478 -5.743 1.00 0.00 C ATOM 809 CD ARG A 54 9.085 4.748 -7.020 1.00 0.00 C ATOM 810 NE ARG A 54 8.243 5.471 -8.000 1.00 0.00 N ATOM 811 CZ ARG A 54 8.153 6.806 -8.073 1.00 0.00 C ATOM 812 NH1 ARG A 54 8.852 7.572 -7.224 1.00 0.00 N ATOM 813 NH2 ARG A 54 7.364 7.375 -8.994 1.00 0.00 N ATOM 0 H ARG A 54 7.109 3.383 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 54 9.886 2.951 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.716 5.711 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.140 5.030 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.984 3.431 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.373 5.073 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.972 5.336 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.430 3.807 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 54 7.697 4.918 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.452 7.139 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.784 8.588 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.832 6.792 -9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.296 8.391 -9.049 1.00 0.00 H new ATOM 827 N ALA A 55 8.235 4.622 -1.467 1.00 0.00 N ATOM 828 CA ALA A 55 8.306 5.166 -0.122 1.00 0.00 C ATOM 829 C ALA A 55 8.674 4.049 0.857 1.00 0.00 C ATOM 830 O ALA A 55 9.429 4.271 1.802 1.00 0.00 O ATOM 831 CB ALA A 55 6.975 5.834 0.230 1.00 0.00 C ATOM 0 H ALA A 55 7.298 4.599 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 55 9.081 5.930 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.028 6.242 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.774 6.639 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.173 5.097 0.179 1.00 0.00 H new ATOM 837 N LEU A 56 8.122 2.873 0.597 1.00 0.00 N ATOM 838 CA LEU A 56 8.383 1.720 1.443 1.00 0.00 C ATOM 839 C LEU A 56 9.821 1.247 1.224 1.00 0.00 C ATOM 840 O LEU A 56 10.548 0.993 2.183 1.00 0.00 O ATOM 841 CB LEU A 56 7.334 0.632 1.204 1.00 0.00 C ATOM 842 CG LEU A 56 5.970 0.860 1.858 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.891 0.008 1.187 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.037 0.616 3.367 1.00 0.00 C ATOM 0 H LEU A 56 7.495 2.693 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 56 8.293 1.991 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.186 0.527 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.734 -0.316 1.565 1.00 0.00 H new ATOM 0 HG LEU A 56 5.692 1.904 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.931 0.189 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.821 0.274 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.151 -1.047 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.054 0.785 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.347 -0.412 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.757 1.301 3.815 1.00 0.00 H new ATOM 856 N GLY A 57 10.189 1.143 -0.045 1.00 0.00 N ATOM 857 CA GLY A 57 11.528 0.704 -0.402 1.00 0.00 C ATOM 858 C GLY A 57 12.588 1.509 0.352 1.00 0.00 C ATOM 859 O GLY A 57 13.207 1.004 1.287 1.00 0.00 O ATOM 0 H GLY A 57 9.584 1.355 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.640 -0.356 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.677 0.816 -1.476 1.00 0.00 H new ATOM 863 N LYS A 58 12.764 2.748 -0.082 1.00 0.00 N ATOM 864 CA LYS A 58 13.739 3.628 0.541 1.00 0.00 C ATOM 865 C LYS A 58 13.324 3.898 1.989 1.00 0.00 C ATOM 866 O LYS A 58 14.148 4.294 2.811 1.00 0.00 O ATOM 867 CB LYS A 58 13.925 4.897 -0.293 1.00 0.00 C ATOM 868 CG LYS A 58 14.197 4.555 -1.759 1.00 0.00 C ATOM 869 CD LYS A 58 13.574 5.598 -2.690 1.00 0.00 C ATOM 870 CE LYS A 58 12.682 4.932 -3.739 1.00 0.00 C ATOM 871 NZ LYS A 58 13.002 5.443 -5.091 1.00 0.00 N ATOM 0 H LYS A 58 12.248 3.164 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 58 14.718 3.150 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.032 5.518 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.753 5.481 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.272 4.505 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.791 3.570 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.988 6.308 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.362 6.166 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.821 3.851 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.634 5.125 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.140 5.447 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.374 6.411 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.716 4.830 -5.534 1.00 0.00 H new ATOM 885 N MET A 59 12.046 3.674 2.256 1.00 0.00 N ATOM 886 CA MET A 59 11.511 3.889 3.590 1.00 0.00 C ATOM 887 C MET A 59 11.522 5.375 3.952 1.00 0.00 C ATOM 888 O MET A 59 12.016 5.756 5.012 1.00 0.00 O ATOM 889 CB MET A 59 12.347 3.109 4.606 1.00 0.00 C ATOM 890 CG MET A 59 12.397 1.622 4.250 1.00 0.00 C ATOM 891 SD MET A 59 13.838 0.866 4.984 1.00 0.00 S ATOM 892 CE MET A 59 13.053 -0.208 6.174 1.00 0.00 C ATOM 0 H MET A 59 11.365 3.346 1.571 1.00 0.00 H new ATOM 0 HA MET A 59 10.479 3.538 3.609 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.359 3.513 4.636 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.924 3.234 5.603 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.495 1.124 4.605 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.424 1.500 3.167 1.00 0.00 H new ATOM 0 HE1 MET A 59 13.815 -0.760 6.725 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.463 0.389 6.870 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.400 -0.910 5.655 1.00 0.00 H new ATOM 902 N SER A 60 10.970 6.175 3.051 1.00 0.00 N ATOM 903 CA SER A 60 10.910 7.611 3.263 1.00 0.00 C ATOM 904 C SER A 60 9.492 8.022 3.665 1.00 0.00 C ATOM 905 O SER A 60 9.309 8.969 4.428 1.00 0.00 O ATOM 906 CB SER A 60 11.348 8.371 2.010 1.00 0.00 C ATOM 907 OG SER A 60 12.014 9.590 2.330 1.00 0.00 O ATOM 0 H SER A 60 10.561 5.856 2.173 1.00 0.00 H new ATOM 0 HA SER A 60 11.598 7.867 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.011 7.741 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.476 8.586 1.393 1.00 0.00 H new ATOM 0 HG SER A 60 12.279 10.045 1.503 1.00 0.00 H new ATOM 913 N LYS A 61 8.525 7.289 3.133 1.00 0.00 N ATOM 914 CA LYS A 61 7.129 7.565 3.426 1.00 0.00 C ATOM 915 C LYS A 61 6.706 8.850 2.712 1.00 0.00 C ATOM 916 O LYS A 61 5.585 9.323 2.888 1.00 0.00 O ATOM 917 CB LYS A 61 6.895 7.597 4.938 1.00 0.00 C ATOM 918 CG LYS A 61 7.419 6.321 5.601 1.00 0.00 C ATOM 919 CD LYS A 61 8.630 6.621 6.487 1.00 0.00 C ATOM 920 CE LYS A 61 8.583 5.799 7.776 1.00 0.00 C ATOM 921 NZ LYS A 61 9.288 4.511 7.595 1.00 0.00 N ATOM 0 H LYS A 61 8.681 6.504 2.501 1.00 0.00 H new ATOM 0 HA LYS A 61 6.495 6.765 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.393 8.466 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.830 7.706 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.629 5.867 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.695 5.596 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.548 6.398 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.653 7.683 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.042 6.361 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.547 5.616 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.247 3.965 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.832 3.970 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.281 4.691 7.346 1.00 0.00 H new ATOM 935 N ASN A 62 7.627 9.379 1.919 1.00 0.00 N ATOM 936 CA ASN A 62 7.365 10.600 1.177 1.00 0.00 C ATOM 937 C ASN A 62 6.133 10.399 0.292 1.00 0.00 C ATOM 938 O ASN A 62 5.987 9.357 -0.346 1.00 0.00 O ATOM 939 CB ASN A 62 8.545 10.960 0.272 1.00 0.00 C ATOM 940 CG ASN A 62 8.288 12.275 -0.467 1.00 0.00 C ATOM 941 OD1 ASN A 62 8.505 12.398 -1.661 1.00 0.00 O ATOM 942 ND2 ASN A 62 7.816 13.247 0.308 1.00 0.00 N ATOM 0 H ASN A 62 8.556 8.984 1.775 1.00 0.00 H new ATOM 0 HA ASN A 62 7.205 11.404 1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.453 11.046 0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.712 10.160 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.613 14.164 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.657 13.076 1.301 1.00 0.00 H new ATOM 949 N GLU A 63 5.280 11.412 0.281 1.00 0.00 N ATOM 950 CA GLU A 63 4.066 11.359 -0.516 1.00 0.00 C ATOM 951 C GLU A 63 4.411 11.260 -2.004 1.00 0.00 C ATOM 952 O GLU A 63 3.562 10.904 -2.819 1.00 0.00 O ATOM 953 CB GLU A 63 3.175 12.572 -0.240 1.00 0.00 C ATOM 954 CG GLU A 63 1.695 12.205 -0.360 1.00 0.00 C ATOM 955 CD GLU A 63 0.937 13.246 -1.186 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.243 13.344 -2.394 1.00 0.00 O ATOM 957 OE2 GLU A 63 0.069 13.920 -0.591 1.00 0.00 O ATOM 0 H GLU A 63 5.405 12.274 0.811 1.00 0.00 H new ATOM 0 HA GLU A 63 3.508 10.467 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.378 12.957 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.413 13.370 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.596 11.224 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.253 12.132 0.634 1.00 0.00 H new ATOM 964 N GLU A 64 5.659 11.581 -2.311 1.00 0.00 N ATOM 965 CA GLU A 64 6.127 11.533 -3.686 1.00 0.00 C ATOM 966 C GLU A 64 6.720 10.157 -3.997 1.00 0.00 C ATOM 967 O GLU A 64 6.793 9.756 -5.157 1.00 0.00 O ATOM 968 CB GLU A 64 7.145 12.642 -3.958 1.00 0.00 C ATOM 969 CG GLU A 64 6.896 13.849 -3.051 1.00 0.00 C ATOM 970 CD GLU A 64 6.298 15.015 -3.842 1.00 0.00 C ATOM 971 OE1 GLU A 64 6.709 15.177 -5.011 1.00 0.00 O ATOM 972 OE2 GLU A 64 5.444 15.717 -3.259 1.00 0.00 O ATOM 0 H GLU A 64 6.360 11.875 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 64 5.275 11.698 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.154 12.262 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.084 12.948 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.220 13.568 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.833 14.161 -2.589 1.00 0.00 H new ATOM 979 N ASP A 65 7.127 9.471 -2.939 1.00 0.00 N ATOM 980 CA ASP A 65 7.711 8.148 -3.084 1.00 0.00 C ATOM 981 C ASP A 65 6.592 7.115 -3.229 1.00 0.00 C ATOM 982 O ASP A 65 6.854 5.914 -3.284 1.00 0.00 O ATOM 983 CB ASP A 65 8.543 7.775 -1.856 1.00 0.00 C ATOM 984 CG ASP A 65 9.859 8.541 -1.710 1.00 0.00 C ATOM 985 OD1 ASP A 65 9.987 9.585 -2.386 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.708 8.067 -0.924 1.00 0.00 O ATOM 0 H ASP A 65 7.064 9.806 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 65 8.353 8.158 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.941 7.943 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.763 6.708 -1.895 1.00 0.00 H new ATOM 991 N VAL A 66 5.368 7.619 -3.286 1.00 0.00 N ATOM 992 CA VAL A 66 4.208 6.754 -3.423 1.00 0.00 C ATOM 993 C VAL A 66 3.892 6.564 -4.908 1.00 0.00 C ATOM 994 O VAL A 66 3.230 7.402 -5.517 1.00 0.00 O ATOM 995 CB VAL A 66 3.032 7.327 -2.630 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.983 6.250 -2.350 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.512 7.976 -1.330 1.00 0.00 C ATOM 0 H VAL A 66 5.154 8.615 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 66 4.415 5.768 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 66 2.563 8.101 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.158 6.684 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.608 5.853 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.435 5.444 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.657 8.375 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.017 7.230 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.205 8.785 -1.561 1.00 0.00 H new ATOM 1007 N SER A 67 4.380 5.456 -5.447 1.00 0.00 N ATOM 1008 CA SER A 67 4.158 5.145 -6.848 1.00 0.00 C ATOM 1009 C SER A 67 3.491 3.775 -6.981 1.00 0.00 C ATOM 1010 O SER A 67 4.019 2.774 -6.498 1.00 0.00 O ATOM 1011 CB SER A 67 5.470 5.175 -7.634 1.00 0.00 C ATOM 1012 OG SER A 67 6.120 3.907 -7.636 1.00 0.00 O ATOM 0 H SER A 67 4.928 4.763 -4.938 1.00 0.00 H new ATOM 0 HA SER A 67 3.498 5.905 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.271 5.482 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.135 5.923 -7.201 1.00 0.00 H new ATOM 0 HG SER A 67 6.106 3.533 -8.542 1.00 0.00 H new ATOM 1018 N PRO A 68 2.309 3.773 -7.654 1.00 0.00 N ATOM 1019 CA PRO A 68 1.564 2.542 -7.856 1.00 0.00 C ATOM 1020 C PRO A 68 2.219 1.676 -8.934 1.00 0.00 C ATOM 1021 O PRO A 68 1.667 0.651 -9.332 1.00 0.00 O ATOM 1022 CB PRO A 68 0.159 2.989 -8.226 1.00 0.00 C ATOM 1023 CG PRO A 68 0.286 4.437 -8.671 1.00 0.00 C ATOM 1024 CD PRO A 68 1.654 4.939 -8.240 1.00 0.00 C ATOM 0 HA PRO A 68 1.546 1.910 -6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.250 2.370 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.516 2.900 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.174 4.515 -9.752 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.501 5.044 -8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.219 5.326 -9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.568 5.750 -7.517 1.00 0.00 H new ATOM 1032 N SER A 69 3.388 2.119 -9.375 1.00 0.00 N ATOM 1033 CA SER A 69 4.124 1.396 -10.399 1.00 0.00 C ATOM 1034 C SER A 69 5.625 1.475 -10.117 1.00 0.00 C ATOM 1035 O SER A 69 6.232 2.537 -10.256 1.00 0.00 O ATOM 1036 CB SER A 69 3.815 1.948 -11.792 1.00 0.00 C ATOM 1037 OG SER A 69 4.841 2.819 -12.261 1.00 0.00 O ATOM 0 H SER A 69 3.843 2.969 -9.042 1.00 0.00 H new ATOM 0 HA SER A 69 3.811 0.352 -10.374 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.694 1.121 -12.491 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.867 2.485 -11.767 1.00 0.00 H new ATOM 0 HG SER A 69 5.308 3.216 -11.496 1.00 0.00 H new ATOM 1043 N LEU A 70 6.183 0.338 -9.726 1.00 0.00 N ATOM 1044 CA LEU A 70 7.602 0.266 -9.424 1.00 0.00 C ATOM 1045 C LEU A 70 8.374 1.147 -10.408 1.00 0.00 C ATOM 1046 O LEU A 70 9.219 1.943 -10.002 1.00 0.00 O ATOM 1047 CB LEU A 70 8.071 -1.190 -9.404 1.00 0.00 C ATOM 1048 CG LEU A 70 7.243 -2.150 -8.547 1.00 0.00 C ATOM 1049 CD1 LEU A 70 7.941 -3.505 -8.410 1.00 0.00 C ATOM 1050 CD2 LEU A 70 6.921 -1.531 -7.186 1.00 0.00 C ATOM 0 H LEU A 70 5.677 -0.541 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 70 7.799 0.655 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.078 -1.563 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.101 -1.214 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 70 6.294 -2.327 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.331 -4.168 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.076 -3.946 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.914 -3.367 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.332 -2.234 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.849 -1.305 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.352 -0.612 -7.330 1.00 0.00 H new ATOM 1062 N GLU A 71 8.057 0.975 -11.683 1.00 0.00 N ATOM 1063 CA GLU A 71 8.710 1.744 -12.727 1.00 0.00 C ATOM 1064 C GLU A 71 9.701 2.736 -12.115 1.00 0.00 C ATOM 1065 O GLU A 71 9.384 3.913 -11.949 1.00 0.00 O ATOM 1066 CB GLU A 71 7.682 2.465 -13.602 1.00 0.00 C ATOM 1067 CG GLU A 71 6.919 1.473 -14.481 1.00 0.00 C ATOM 1068 CD GLU A 71 6.019 2.205 -15.480 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.529 2.523 -16.576 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.842 2.430 -15.124 1.00 0.00 O ATOM 0 H GLU A 71 7.356 0.313 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 71 9.263 1.056 -13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.981 3.011 -12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.185 3.200 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.625 0.840 -15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.315 0.817 -13.855 1.00 0.00 H new ATOM 1077 N GLY A 72 10.881 2.225 -11.796 1.00 0.00 N ATOM 1078 CA GLY A 72 11.920 3.051 -11.205 1.00 0.00 C ATOM 1079 C GLY A 72 12.460 2.418 -9.921 1.00 0.00 C ATOM 1080 O GLY A 72 13.645 2.544 -9.614 1.00 0.00 O ATOM 0 H GLY A 72 11.141 1.249 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.733 3.185 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.522 4.042 -10.987 1.00 0.00 H new ATOM 1084 N LEU A 73 11.566 1.751 -9.206 1.00 0.00 N ATOM 1085 CA LEU A 73 11.938 1.099 -7.963 1.00 0.00 C ATOM 1086 C LEU A 73 13.197 0.258 -8.190 1.00 0.00 C ATOM 1087 O LEU A 73 13.151 -0.762 -8.876 1.00 0.00 O ATOM 1088 CB LEU A 73 10.759 0.301 -7.402 1.00 0.00 C ATOM 1089 CG LEU A 73 10.216 0.768 -6.050 1.00 0.00 C ATOM 1090 CD1 LEU A 73 8.764 1.235 -6.174 1.00 0.00 C ATOM 1091 CD2 LEU A 73 10.379 -0.322 -4.988 1.00 0.00 C ATOM 0 H LEU A 73 10.585 1.648 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 73 12.182 1.841 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.947 0.332 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.063 -0.742 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 73 10.803 1.626 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.402 1.562 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.708 2.065 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.146 0.412 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.985 0.035 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.832 -1.214 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.436 -0.565 -4.875 1.00 0.00 H new ATOM 1103 N THR A 74 14.291 0.718 -7.600 1.00 0.00 N ATOM 1104 CA THR A 74 15.559 0.021 -7.730 1.00 0.00 C ATOM 1105 C THR A 74 15.620 -1.160 -6.759 1.00 0.00 C ATOM 1106 O THR A 74 14.612 -1.527 -6.158 1.00 0.00 O ATOM 1107 CB THR A 74 16.681 1.039 -7.519 1.00 0.00 C ATOM 1108 OG1 THR A 74 17.875 0.270 -7.639 1.00 0.00 O ATOM 1109 CG2 THR A 74 16.725 1.574 -6.086 1.00 0.00 C ATOM 0 H THR A 74 14.325 1.564 -7.031 1.00 0.00 H new ATOM 0 HA THR A 74 15.674 -0.410 -8.725 1.00 0.00 H new ATOM 0 HB THR A 74 16.552 1.870 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 74 17.838 -0.266 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.539 2.293 -5.991 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.780 2.063 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.888 0.748 -5.394 1.00 0.00 H new ATOM 1117 N GLU A 75 16.813 -1.723 -6.637 1.00 0.00 N ATOM 1118 CA GLU A 75 17.019 -2.855 -5.749 1.00 0.00 C ATOM 1119 C GLU A 75 16.880 -2.418 -4.290 1.00 0.00 C ATOM 1120 O GLU A 75 16.293 -3.132 -3.478 1.00 0.00 O ATOM 1121 CB GLU A 75 18.381 -3.507 -5.999 1.00 0.00 C ATOM 1122 CG GLU A 75 18.220 -4.873 -6.669 1.00 0.00 C ATOM 1123 CD GLU A 75 19.141 -5.911 -6.025 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.316 -5.557 -5.786 1.00 0.00 O ATOM 1125 OE2 GLU A 75 18.650 -7.035 -5.785 1.00 0.00 O ATOM 0 H GLU A 75 17.647 -1.417 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 75 16.252 -3.600 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.989 -2.858 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.912 -3.622 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.184 -5.201 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.447 -4.790 -7.732 1.00 0.00 H new ATOM 1132 N LYS A 76 17.429 -1.248 -4.001 1.00 0.00 N ATOM 1133 CA LYS A 76 17.374 -0.707 -2.653 1.00 0.00 C ATOM 1134 C LYS A 76 15.924 -0.715 -2.165 1.00 0.00 C ATOM 1135 O LYS A 76 15.630 -1.239 -1.092 1.00 0.00 O ATOM 1136 CB LYS A 76 18.033 0.673 -2.602 1.00 0.00 C ATOM 1137 CG LYS A 76 16.988 1.784 -2.721 1.00 0.00 C ATOM 1138 CD LYS A 76 17.582 3.140 -2.334 1.00 0.00 C ATOM 1139 CE LYS A 76 17.627 4.083 -3.538 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.952 4.021 -4.196 1.00 0.00 N ATOM 0 H LYS A 76 17.915 -0.659 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 76 17.945 -1.332 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.582 0.784 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.759 0.763 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.612 1.826 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.138 1.559 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.986 3.588 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.588 3.001 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.848 3.811 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.422 5.104 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.965 4.667 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.689 4.303 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.133 3.050 -4.521 1.00 0.00 H new ATOM 1154 N GLU A 77 15.057 -0.127 -2.976 1.00 0.00 N ATOM 1155 CA GLU A 77 13.645 -0.060 -2.640 1.00 0.00 C ATOM 1156 C GLU A 77 12.981 -1.420 -2.860 1.00 0.00 C ATOM 1157 O GLU A 77 12.197 -1.874 -2.028 1.00 0.00 O ATOM 1158 CB GLU A 77 12.940 1.032 -3.448 1.00 0.00 C ATOM 1159 CG GLU A 77 13.513 1.121 -4.864 1.00 0.00 C ATOM 1160 CD GLU A 77 14.263 2.439 -5.069 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.803 2.947 -4.063 1.00 0.00 O ATOM 1162 OE2 GLU A 77 14.279 2.908 -6.228 1.00 0.00 O ATOM 0 H GLU A 77 15.305 0.307 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 77 13.555 0.199 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.872 0.821 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.053 1.992 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.187 0.283 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.706 1.040 -5.593 1.00 0.00 H new ATOM 1169 N ILE A 78 13.320 -2.033 -3.985 1.00 0.00 N ATOM 1170 CA ILE A 78 12.767 -3.333 -4.325 1.00 0.00 C ATOM 1171 C ILE A 78 13.009 -4.304 -3.168 1.00 0.00 C ATOM 1172 O ILE A 78 12.097 -5.018 -2.751 1.00 0.00 O ATOM 1173 CB ILE A 78 13.326 -3.820 -5.663 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.676 -3.076 -6.832 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.183 -5.337 -5.798 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.751 -4.002 -7.624 1.00 0.00 C ATOM 0 H ILE A 78 13.971 -1.653 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 78 11.688 -3.263 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 78 14.392 -3.594 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.109 -2.225 -6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.449 -2.679 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.588 -5.657 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.729 -5.827 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.129 -5.610 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.302 -3.449 -8.449 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.326 -4.839 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.965 -4.378 -6.969 1.00 0.00 H new ATOM 1188 N ASN A 79 14.241 -4.300 -2.681 1.00 0.00 N ATOM 1189 CA ASN A 79 14.614 -5.172 -1.580 1.00 0.00 C ATOM 1190 C ASN A 79 13.607 -5.006 -0.440 1.00 0.00 C ATOM 1191 O ASN A 79 13.030 -5.984 0.031 1.00 0.00 O ATOM 1192 CB ASN A 79 16.001 -4.816 -1.042 1.00 0.00 C ATOM 1193 CG ASN A 79 17.067 -5.756 -1.608 1.00 0.00 C ATOM 1194 OD1 ASN A 79 16.926 -6.968 -1.609 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.139 -5.132 -2.089 1.00 0.00 N ATOM 0 H ASN A 79 14.994 -3.706 -3.029 1.00 0.00 H new ATOM 0 HA ASN A 79 14.623 -6.197 -1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.243 -3.786 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.999 -4.876 0.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.906 -5.672 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.194 -4.114 -2.057 1.00 0.00 H new ATOM 1202 N THR A 80 13.427 -3.759 -0.030 1.00 0.00 N ATOM 1203 CA THR A 80 12.500 -3.452 1.046 1.00 0.00 C ATOM 1204 C THR A 80 11.061 -3.452 0.527 1.00 0.00 C ATOM 1205 O THR A 80 10.175 -4.042 1.143 1.00 0.00 O ATOM 1206 CB THR A 80 12.922 -2.119 1.668 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.190 -2.396 2.256 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.040 -1.720 2.853 1.00 0.00 C ATOM 0 H THR A 80 13.907 -2.950 -0.423 1.00 0.00 H new ATOM 0 HA THR A 80 12.531 -4.215 1.824 1.00 0.00 H new ATOM 0 HB THR A 80 12.885 -1.337 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.538 -1.584 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.383 -0.767 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.006 -1.623 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.102 -2.485 3.627 1.00 0.00 H new ATOM 1216 N LEU A 81 10.873 -2.784 -0.602 1.00 0.00 N ATOM 1217 CA LEU A 81 9.557 -2.700 -1.212 1.00 0.00 C ATOM 1218 C LEU A 81 9.027 -4.112 -1.467 1.00 0.00 C ATOM 1219 O LEU A 81 7.953 -4.472 -0.988 1.00 0.00 O ATOM 1220 CB LEU A 81 9.602 -1.823 -2.465 1.00 0.00 C ATOM 1221 CG LEU A 81 8.360 -1.864 -3.357 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.427 -3.036 -4.338 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.082 -1.893 -2.516 1.00 0.00 C ATOM 0 H LEU A 81 11.610 -2.296 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 81 8.854 -2.213 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.769 -0.791 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.464 -2.121 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 81 8.335 -0.950 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.532 -3.042 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.308 -2.931 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.489 -3.972 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.214 -1.922 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.085 -2.778 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.036 -0.999 -1.894 1.00 0.00 H new ATOM 1235 N ASN A 82 9.804 -4.874 -2.223 1.00 0.00 N ATOM 1236 CA ASN A 82 9.426 -6.239 -2.548 1.00 0.00 C ATOM 1237 C ASN A 82 9.177 -7.016 -1.254 1.00 0.00 C ATOM 1238 O ASN A 82 8.138 -7.657 -1.102 1.00 0.00 O ATOM 1239 CB ASN A 82 10.540 -6.950 -3.319 1.00 0.00 C ATOM 1240 CG ASN A 82 9.988 -8.140 -4.106 1.00 0.00 C ATOM 1241 OD1 ASN A 82 9.560 -9.139 -3.552 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.023 -7.978 -5.426 1.00 0.00 N ATOM 0 H ASN A 82 10.694 -4.572 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 82 8.527 -6.203 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.020 -6.249 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.307 -7.293 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.678 -8.716 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.395 -7.116 -5.824 1.00 0.00 H new ATOM 1249 N ASP A 83 10.146 -6.934 -0.355 1.00 0.00 N ATOM 1250 CA ASP A 83 10.044 -7.622 0.921 1.00 0.00 C ATOM 1251 C ASP A 83 8.865 -7.051 1.710 1.00 0.00 C ATOM 1252 O ASP A 83 8.223 -7.766 2.478 1.00 0.00 O ATOM 1253 CB ASP A 83 11.312 -7.425 1.755 1.00 0.00 C ATOM 1254 CG ASP A 83 11.166 -7.759 3.241 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.314 -8.620 3.548 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.909 -7.145 4.037 1.00 0.00 O ATOM 0 H ASP A 83 11.006 -6.401 -0.485 1.00 0.00 H new ATOM 0 HA ASP A 83 9.905 -8.685 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.105 -8.044 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.633 -6.388 1.661 1.00 0.00 H new ATOM 1261 N TRP A 84 8.615 -5.767 1.495 1.00 0.00 N ATOM 1262 CA TRP A 84 7.524 -5.093 2.177 1.00 0.00 C ATOM 1263 C TRP A 84 6.225 -5.817 1.822 1.00 0.00 C ATOM 1264 O TRP A 84 5.374 -6.032 2.684 1.00 0.00 O ATOM 1265 CB TRP A 84 7.494 -3.604 1.824 1.00 0.00 C ATOM 1266 CG TRP A 84 8.095 -2.697 2.900 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.064 -1.782 2.762 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.723 -2.655 4.294 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.343 -1.156 3.960 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.502 -1.704 4.921 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.761 -3.396 5.002 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.399 -1.406 6.285 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.670 -3.087 6.365 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.447 -2.132 7.011 1.00 0.00 C ATOM 0 H TRP A 84 9.150 -5.176 0.858 1.00 0.00 H new ATOM 0 HA TRP A 84 7.661 -5.134 3.258 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.036 -3.451 0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.461 -3.304 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.564 -1.562 1.830 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.039 -0.426 4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.141 -4.145 4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.020 -0.656 6.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.946 -3.628 6.955 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.317 -1.951 8.068 1.00 0.00 H new ATOM 1285 N GLU A 85 6.111 -6.174 0.551 1.00 0.00 N ATOM 1286 CA GLU A 85 4.929 -6.870 0.071 1.00 0.00 C ATOM 1287 C GLU A 85 4.782 -8.217 0.781 1.00 0.00 C ATOM 1288 O GLU A 85 3.690 -8.577 1.218 1.00 0.00 O ATOM 1289 CB GLU A 85 4.979 -7.052 -1.447 1.00 0.00 C ATOM 1290 CG GLU A 85 4.223 -8.313 -1.873 1.00 0.00 C ATOM 1291 CD GLU A 85 5.075 -9.564 -1.648 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.306 -9.396 -1.513 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.475 -10.660 -1.615 1.00 0.00 O ATOM 0 H GLU A 85 6.818 -5.994 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 85 4.054 -6.263 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.544 -6.180 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.016 -7.117 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.295 -8.394 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.949 -8.239 -2.925 1.00 0.00 H new ATOM 1300 N THR A 86 5.898 -8.926 0.873 1.00 0.00 N ATOM 1301 CA THR A 86 5.907 -10.226 1.522 1.00 0.00 C ATOM 1302 C THR A 86 5.577 -10.082 3.009 1.00 0.00 C ATOM 1303 O THR A 86 4.937 -10.955 3.594 1.00 0.00 O ATOM 1304 CB THR A 86 7.268 -10.874 1.262 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.027 -11.764 0.176 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.707 -11.792 2.405 1.00 0.00 C ATOM 0 H THR A 86 6.802 -8.625 0.509 1.00 0.00 H new ATOM 0 HA THR A 86 5.136 -10.878 1.112 1.00 0.00 H new ATOM 0 HB THR A 86 8.017 -10.097 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.822 -11.247 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.679 -12.226 2.170 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.781 -11.215 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.975 -12.589 2.533 1.00 0.00 H new ATOM 1314 N LYS A 87 6.028 -8.974 3.578 1.00 0.00 N ATOM 1315 CA LYS A 87 5.788 -8.704 4.986 1.00 0.00 C ATOM 1316 C LYS A 87 4.327 -8.296 5.181 1.00 0.00 C ATOM 1317 O LYS A 87 3.677 -8.734 6.129 1.00 0.00 O ATOM 1318 CB LYS A 87 6.790 -7.675 5.512 1.00 0.00 C ATOM 1319 CG LYS A 87 8.226 -8.179 5.359 1.00 0.00 C ATOM 1320 CD LYS A 87 9.217 -7.013 5.335 1.00 0.00 C ATOM 1321 CE LYS A 87 8.926 -6.024 6.466 1.00 0.00 C ATOM 1322 NZ LYS A 87 9.820 -4.848 6.368 1.00 0.00 N ATOM 0 H LYS A 87 6.558 -8.252 3.090 1.00 0.00 H new ATOM 0 HA LYS A 87 5.949 -9.604 5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.671 -6.737 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.584 -7.466 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.469 -8.851 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.316 -8.757 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.234 -7.393 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.158 -6.501 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.886 -5.703 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.064 -6.514 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.077 -4.527 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.681 -5.109 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.330 -4.081 5.865 1.00 0.00 H new ATOM 1336 N PHE A 88 3.852 -7.461 4.268 1.00 0.00 N ATOM 1337 CA PHE A 88 2.479 -6.989 4.328 1.00 0.00 C ATOM 1338 C PHE A 88 1.501 -8.094 3.925 1.00 0.00 C ATOM 1339 O PHE A 88 0.463 -8.271 4.561 1.00 0.00 O ATOM 1340 CB PHE A 88 2.361 -5.832 3.333 1.00 0.00 C ATOM 1341 CG PHE A 88 2.421 -4.447 3.979 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.330 -4.193 4.959 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.566 -3.470 3.575 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.386 -2.907 5.559 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.623 -2.184 4.174 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.531 -1.930 5.154 1.00 0.00 C ATOM 0 H PHE A 88 4.394 -7.099 3.483 1.00 0.00 H new ATOM 0 HA PHE A 88 2.236 -6.679 5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.163 -5.914 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.421 -5.928 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.009 -4.969 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.843 -3.672 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.107 -2.705 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.945 -1.407 3.851 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.573 -0.952 5.611 1.00 0.00 H new ATOM 1356 N GLU A 89 1.867 -8.810 2.872 1.00 0.00 N ATOM 1357 CA GLU A 89 1.035 -9.893 2.377 1.00 0.00 C ATOM 1358 C GLU A 89 1.081 -11.081 3.340 1.00 0.00 C ATOM 1359 O GLU A 89 0.211 -11.949 3.304 1.00 0.00 O ATOM 1360 CB GLU A 89 1.460 -10.313 0.969 1.00 0.00 C ATOM 1361 CG GLU A 89 2.584 -11.350 1.022 1.00 0.00 C ATOM 1362 CD GLU A 89 2.045 -12.756 0.753 1.00 0.00 C ATOM 1363 OE1 GLU A 89 1.542 -12.966 -0.372 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.149 -13.590 1.678 1.00 0.00 O ATOM 0 H GLU A 89 2.729 -8.661 2.348 1.00 0.00 H new ATOM 0 HA GLU A 89 0.007 -9.536 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.604 -10.726 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.793 -9.439 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.348 -11.102 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.064 -11.322 2.000 1.00 0.00 H new ATOM 1371 N ALA A 90 2.106 -11.081 4.180 1.00 0.00 N ATOM 1372 CA ALA A 90 2.277 -12.147 5.152 1.00 0.00 C ATOM 1373 C ALA A 90 1.611 -11.744 6.469 1.00 0.00 C ATOM 1374 O ALA A 90 1.460 -12.567 7.370 1.00 0.00 O ATOM 1375 CB ALA A 90 3.768 -12.449 5.321 1.00 0.00 C ATOM 0 H ALA A 90 2.826 -10.359 4.207 1.00 0.00 H new ATOM 0 HA ALA A 90 1.795 -13.062 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.897 -13.249 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.187 -12.760 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.283 -11.554 5.669 1.00 0.00 H new ATOM 1381 N LYS A 91 1.230 -10.477 6.538 1.00 0.00 N ATOM 1382 CA LYS A 91 0.584 -9.954 7.730 1.00 0.00 C ATOM 1383 C LYS A 91 -0.806 -9.430 7.363 1.00 0.00 C ATOM 1384 O LYS A 91 -1.816 -10.032 7.725 1.00 0.00 O ATOM 1385 CB LYS A 91 1.474 -8.911 8.409 1.00 0.00 C ATOM 1386 CG LYS A 91 2.385 -9.563 9.451 1.00 0.00 C ATOM 1387 CD LYS A 91 2.154 -8.957 10.837 1.00 0.00 C ATOM 1388 CE LYS A 91 3.450 -8.938 11.650 1.00 0.00 C ATOM 1389 NZ LYS A 91 3.285 -8.116 12.869 1.00 0.00 N ATOM 0 H LYS A 91 1.356 -9.797 5.788 1.00 0.00 H new ATOM 0 HA LYS A 91 0.443 -10.746 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.079 -8.401 7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.853 -8.153 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.197 -10.636 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.428 -9.431 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.770 -7.942 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.396 -9.533 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.729 -9.955 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.262 -8.539 11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.174 -8.114 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.041 -7.141 12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.524 -8.514 13.456 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.813 -8.314 6.648 1.00 0.00 N ATOM 1404 CA TYR A 92 -2.063 -7.703 6.228 1.00 0.00 C ATOM 1405 C TYR A 92 -2.812 -8.606 5.246 1.00 0.00 C ATOM 1406 O TYR A 92 -2.199 -9.239 4.387 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.678 -6.404 5.517 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.238 -5.284 6.461 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.926 -5.062 7.637 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.152 -4.496 6.138 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.511 -4.008 8.526 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.263 -3.442 7.027 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.437 -3.250 8.177 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.045 -2.255 9.017 1.00 0.00 O ATOM 0 H TYR A 92 0.026 -7.817 6.349 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.715 -7.534 7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.870 -6.612 4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.529 -6.057 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.776 -5.679 7.890 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.387 -4.670 5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.041 -3.824 9.449 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.111 -2.818 6.786 1.00 0.00 H new ATOM 0 HH TYR A 92 0.735 -1.797 8.640 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.162 -8.637 5.409 1.00 0.00 N ATOM 1425 CA PRO A 93 -5.001 -9.452 4.547 1.00 0.00 C ATOM 1426 C PRO A 93 -5.149 -8.815 3.164 1.00 0.00 C ATOM 1427 O PRO A 93 -5.320 -7.602 3.051 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.322 -9.576 5.288 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.335 -8.450 6.309 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.922 -7.901 6.415 1.00 0.00 C ATOM 0 HA PRO A 93 -4.574 -10.436 4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.164 -9.490 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.406 -10.547 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.027 -7.666 6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.676 -8.817 7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.898 -6.828 6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.511 -8.055 7.413 1.00 0.00 H new ATOM 1438 N VAL A 94 -5.077 -9.661 2.147 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.200 -9.195 0.776 1.00 0.00 C ATOM 1440 C VAL A 94 -6.667 -9.267 0.348 1.00 0.00 C ATOM 1441 O VAL A 94 -7.213 -10.355 0.172 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.271 -10.000 -0.135 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.272 -9.433 -1.557 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.852 -10.049 0.434 1.00 0.00 C ATOM 0 H VAL A 94 -4.935 -10.666 2.245 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.889 -8.153 0.696 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.649 -11.021 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.604 -10.023 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.282 -9.474 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.931 -8.398 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.212 -10.627 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.461 -9.036 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.870 -10.519 1.417 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.263 -8.095 0.193 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.657 -8.011 -0.212 1.00 0.00 C ATOM 1456 C VAL A 95 -8.737 -7.946 -1.738 1.00 0.00 C ATOM 1457 O VAL A 95 -9.821 -8.047 -2.311 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.330 -6.820 0.473 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.222 -6.931 1.996 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.743 -5.498 -0.023 1.00 0.00 C ATOM 0 H VAL A 95 -6.807 -7.195 0.340 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.201 -8.901 0.105 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.388 -6.836 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.708 -6.072 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.709 -7.847 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.171 -6.953 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.239 -4.668 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.676 -5.469 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.895 -5.413 -1.099 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.576 -7.777 -2.354 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.501 -7.698 -3.802 1.00 0.00 C ATOM 1472 C GLY A 96 -6.140 -7.162 -4.253 1.00 0.00 C ATOM 1473 O GLY A 96 -5.299 -6.819 -3.424 1.00 0.00 O ATOM 0 H GLY A 96 -6.679 -7.693 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.668 -8.685 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.293 -7.049 -4.176 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.966 -7.108 -5.565 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.722 -6.620 -6.136 1.00 0.00 C ATOM 1479 C ARG A 97 -4.991 -5.424 -7.051 1.00 0.00 C ATOM 1480 O ARG A 97 -5.880 -5.474 -7.899 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.016 -7.717 -6.936 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.326 -7.592 -8.429 1.00 0.00 C ATOM 1483 CD ARG A 97 -5.779 -7.972 -8.721 1.00 0.00 C ATOM 1484 NE ARG A 97 -5.832 -8.974 -9.808 1.00 0.00 N ATOM 1485 CZ ARG A 97 -5.512 -10.266 -9.654 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -5.116 -10.721 -8.458 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -5.590 -11.104 -10.697 1.00 0.00 N ATOM 0 H ARG A 97 -6.666 -7.394 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.077 -6.314 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.940 -7.652 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.333 -8.696 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.141 -6.570 -8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.656 -8.237 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.246 -8.374 -7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.345 -7.085 -9.005 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.131 -8.662 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.058 -10.084 -7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.873 -11.705 -8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.893 -10.758 -11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.346 -12.088 -10.580 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.206 -4.376 -6.847 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.348 -3.169 -7.643 1.00 0.00 C ATOM 1503 C VAL A 98 -4.377 -3.542 -9.126 1.00 0.00 C ATOM 1504 O VAL A 98 -3.721 -4.494 -9.544 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.233 -2.180 -7.297 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.191 -1.027 -8.303 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.389 -1.655 -5.868 1.00 0.00 C ATOM 0 H VAL A 98 -3.470 -4.338 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.290 -2.670 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.283 -2.712 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.390 -0.339 -8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.009 -1.423 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.144 -0.498 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.584 -0.954 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.349 -1.148 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.346 -2.489 -5.167 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.146 -2.771 -9.882 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.269 -3.009 -11.310 1.00 0.00 C ATOM 1519 C VAL A 99 -5.065 -1.691 -12.062 1.00 0.00 C ATOM 1520 O VAL A 99 -4.292 -1.630 -13.016 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.615 -3.669 -11.617 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.478 -5.192 -11.669 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.676 -3.249 -10.598 1.00 0.00 C ATOM 0 H VAL A 99 -5.689 -1.982 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.498 -3.701 -11.649 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.940 -3.327 -12.600 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.448 -5.637 -11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.768 -5.467 -12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.120 -5.558 -10.707 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.623 -3.732 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.360 -3.549 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.802 -2.167 -10.629 1.00 0.00 H new ATOM 1533 N SER A 100 -5.772 -0.669 -11.602 1.00 0.00 N ATOM 1534 CA SER A 100 -5.679 0.643 -12.219 1.00 0.00 C ATOM 1535 C SER A 100 -5.821 0.519 -13.737 1.00 0.00 C ATOM 1536 O SER A 100 -6.860 0.866 -14.297 1.00 0.00 O ATOM 1537 CB SER A 100 -4.356 1.325 -11.864 1.00 0.00 C ATOM 1538 OG SER A 100 -4.483 2.744 -11.817 1.00 0.00 O ATOM 0 H SER A 100 -6.412 -0.723 -10.809 1.00 0.00 H new ATOM 0 HA SER A 100 -6.491 1.260 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.008 0.960 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.599 1.053 -12.599 1.00 0.00 H new ATOM 0 HG SER A 100 -3.618 3.142 -11.586 1.00 0.00 H new TER 1544 SER A 100