USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 49 HIS : no HD1:sc= -1.1 K(o=-0.79,f=0.11) USER MOD Set 1.2: A 82 THR OG1 : rot -2:sc= 0.314 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 160:sc=-0.000854 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 17 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-0.82) USER MOD Single : A 21 GLN : amide:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -6.2! C(o=-6.2!,f=-12!) USER MOD Single : A 57 GLN : amide:sc= -0.849 K(o=-0.85,f=-5!) USER MOD Single : A 58 SER OG : rot 30:sc= 0.531 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -13.3! C(o=-13!,f=-13!) USER MOD Single : A 72 THR OG1 : rot 86:sc= 0.343 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-4.8!) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00214) USER MOD Single : A 83 MET CE :methyl 176:sc= 0 (180deg=-0.0458) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 88 TYR OH : rot 150:sc= -0.44 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.025 12.232 -3.977 1.00 0.00 N ATOM 2 CA GLY A 1 -15.543 13.454 -4.594 1.00 0.00 C ATOM 3 C GLY A 1 -14.391 13.207 -5.547 1.00 0.00 C ATOM 4 O GLY A 1 -14.498 12.393 -6.464 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.812 12.454 -3.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.355 11.577 -4.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.254 11.787 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.361 13.932 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.225 14.149 -3.817 1.00 0.00 H new ATOM 8 N SER A 2 -13.285 13.913 -5.331 1.00 0.00 N ATOM 9 CA SER A 2 -12.109 13.770 -6.182 1.00 0.00 C ATOM 10 C SER A 2 -10.922 14.530 -5.599 1.00 0.00 C ATOM 11 O SER A 2 -10.982 15.745 -5.407 1.00 0.00 O ATOM 12 CB SER A 2 -12.410 14.275 -7.594 1.00 0.00 C ATOM 13 OG SER A 2 -11.389 13.896 -8.500 1.00 0.00 O ATOM 0 H SER A 2 -13.179 14.589 -4.575 1.00 0.00 H new ATOM 0 HA SER A 2 -11.852 12.712 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.366 13.874 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.506 15.361 -7.583 1.00 0.00 H new ATOM 0 HG SER A 2 -11.606 14.229 -9.396 1.00 0.00 H new ATOM 19 N SER A 3 -9.843 13.807 -5.320 1.00 0.00 N ATOM 20 CA SER A 3 -8.642 14.411 -4.756 1.00 0.00 C ATOM 21 C SER A 3 -7.988 15.358 -5.757 1.00 0.00 C ATOM 22 O SER A 3 -7.703 16.513 -5.442 1.00 0.00 O ATOM 23 CB SER A 3 -7.647 13.326 -4.338 1.00 0.00 C ATOM 24 OG SER A 3 -8.243 12.406 -3.440 1.00 0.00 O ATOM 0 H SER A 3 -9.776 12.801 -5.475 1.00 0.00 H new ATOM 0 HA SER A 3 -8.933 14.985 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.289 12.797 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.778 13.787 -3.868 1.00 0.00 H new ATOM 0 HG SER A 3 -7.587 11.722 -3.189 1.00 0.00 H new ATOM 30 N GLY A 4 -7.754 14.860 -6.968 1.00 0.00 N ATOM 31 CA GLY A 4 -7.136 15.673 -7.998 1.00 0.00 C ATOM 32 C GLY A 4 -6.430 14.840 -9.050 1.00 0.00 C ATOM 33 O GLY A 4 -6.910 14.713 -10.176 1.00 0.00 O ATOM 0 H GLY A 4 -7.982 13.908 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.898 16.288 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.420 16.354 -7.538 1.00 0.00 H new ATOM 37 N SER A 5 -5.286 14.272 -8.682 1.00 0.00 N ATOM 38 CA SER A 5 -4.510 13.450 -9.604 1.00 0.00 C ATOM 39 C SER A 5 -5.386 12.380 -10.247 1.00 0.00 C ATOM 40 O SER A 5 -6.302 11.851 -9.618 1.00 0.00 O ATOM 41 CB SER A 5 -3.337 12.794 -8.872 1.00 0.00 C ATOM 42 OG SER A 5 -2.351 13.751 -8.528 1.00 0.00 O ATOM 0 H SER A 5 -4.876 14.366 -7.753 1.00 0.00 H new ATOM 0 HA SER A 5 -4.122 14.097 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.698 12.299 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.895 12.023 -9.504 1.00 0.00 H new ATOM 0 HG SER A 5 -1.613 13.307 -8.060 1.00 0.00 H new ATOM 48 N SER A 6 -5.097 12.065 -11.506 1.00 0.00 N ATOM 49 CA SER A 6 -5.860 11.061 -12.237 1.00 0.00 C ATOM 50 C SER A 6 -4.931 10.044 -12.894 1.00 0.00 C ATOM 51 O SER A 6 -4.058 10.403 -13.683 1.00 0.00 O ATOM 52 CB SER A 6 -6.736 11.728 -13.300 1.00 0.00 C ATOM 53 OG SER A 6 -7.991 12.107 -12.762 1.00 0.00 O ATOM 0 H SER A 6 -4.340 12.491 -12.040 1.00 0.00 H new ATOM 0 HA SER A 6 -6.499 10.538 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.227 12.606 -13.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.886 11.043 -14.134 1.00 0.00 H new ATOM 0 HG SER A 6 -8.531 12.532 -13.460 1.00 0.00 H new ATOM 59 N GLY A 7 -5.126 8.772 -12.560 1.00 0.00 N ATOM 60 CA GLY A 7 -4.299 7.722 -13.125 1.00 0.00 C ATOM 61 C GLY A 7 -4.029 6.602 -12.139 1.00 0.00 C ATOM 62 O GLY A 7 -4.267 5.432 -12.438 1.00 0.00 O ATOM 0 H GLY A 7 -5.842 8.450 -11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.789 7.314 -14.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.351 8.148 -13.455 1.00 0.00 H new ATOM 66 N VAL A 8 -3.530 6.961 -10.961 1.00 0.00 N ATOM 67 CA VAL A 8 -3.227 5.978 -9.928 1.00 0.00 C ATOM 68 C VAL A 8 -3.959 6.301 -8.630 1.00 0.00 C ATOM 69 O VAL A 8 -4.120 7.467 -8.268 1.00 0.00 O ATOM 70 CB VAL A 8 -1.714 5.907 -9.647 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.376 4.653 -8.855 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.928 5.954 -10.948 1.00 0.00 C ATOM 0 H VAL A 8 -3.327 7.925 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.565 5.012 -10.302 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.432 6.773 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.303 4.620 -8.666 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.911 4.667 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.671 3.772 -9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.139 5.903 -10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.211 5.109 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.147 6.884 -11.472 1.00 0.00 H new ATOM 82 N THR A 9 -4.402 5.260 -7.932 1.00 0.00 N ATOM 83 CA THR A 9 -5.118 5.432 -6.674 1.00 0.00 C ATOM 84 C THR A 9 -4.161 5.406 -5.488 1.00 0.00 C ATOM 85 O THR A 9 -3.380 4.468 -5.327 1.00 0.00 O ATOM 86 CB THR A 9 -6.186 4.338 -6.481 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.123 4.372 -7.564 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.920 4.526 -5.162 1.00 0.00 C ATOM 0 H THR A 9 -4.277 4.289 -8.217 1.00 0.00 H new ATOM 0 HA THR A 9 -5.608 6.404 -6.720 1.00 0.00 H new ATOM 0 HB THR A 9 -5.685 3.370 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.797 3.673 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.669 3.742 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.208 4.471 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.410 5.500 -5.154 1.00 0.00 H new ATOM 96 N THR A 10 -4.225 6.443 -4.659 1.00 0.00 N ATOM 97 CA THR A 10 -3.364 6.540 -3.487 1.00 0.00 C ATOM 98 C THR A 10 -4.185 6.613 -2.205 1.00 0.00 C ATOM 99 O THR A 10 -5.351 7.006 -2.226 1.00 0.00 O ATOM 100 CB THR A 10 -2.445 7.773 -3.566 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.695 7.749 -4.786 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.492 7.815 -2.381 1.00 0.00 C ATOM 0 H THR A 10 -4.865 7.228 -4.778 1.00 0.00 H new ATOM 0 HA THR A 10 -2.751 5.639 -3.471 1.00 0.00 H new ATOM 0 HB THR A 10 -3.070 8.666 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.369 8.651 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.853 8.695 -2.459 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.065 7.863 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.874 6.917 -2.379 1.00 0.00 H new ATOM 110 N ALA A 11 -3.569 6.234 -1.091 1.00 0.00 N ATOM 111 CA ALA A 11 -4.243 6.259 0.202 1.00 0.00 C ATOM 112 C ALA A 11 -3.322 6.801 1.290 1.00 0.00 C ATOM 113 O ALA A 11 -2.104 6.852 1.117 1.00 0.00 O ATOM 114 CB ALA A 11 -4.735 4.867 0.568 1.00 0.00 C ATOM 0 H ALA A 11 -2.604 5.906 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.102 6.926 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.236 4.901 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.435 4.517 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.887 4.184 0.622 1.00 0.00 H new ATOM 120 N ILE A 12 -3.912 7.204 2.410 1.00 0.00 N ATOM 121 CA ILE A 12 -3.144 7.741 3.527 1.00 0.00 C ATOM 122 C ILE A 12 -3.408 6.953 4.805 1.00 0.00 C ATOM 123 O ILE A 12 -4.537 6.903 5.293 1.00 0.00 O ATOM 124 CB ILE A 12 -3.473 9.225 3.774 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.485 9.995 2.452 1.00 0.00 C ATOM 126 CG2 ILE A 12 -2.470 9.836 4.741 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.124 10.516 2.045 1.00 0.00 C ATOM 0 H ILE A 12 -4.919 7.169 2.568 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.091 7.651 3.259 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.465 9.292 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.866 9.344 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.176 10.834 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.716 10.885 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.507 9.301 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.467 9.760 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.207 11.051 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.749 11.192 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.434 9.680 1.929 1.00 0.00 H new ATOM 139 N ILE A 13 -2.358 6.341 5.344 1.00 0.00 N ATOM 140 CA ILE A 13 -2.476 5.558 6.567 1.00 0.00 C ATOM 141 C ILE A 13 -1.941 6.331 7.768 1.00 0.00 C ATOM 142 O ILE A 13 -0.973 7.084 7.655 1.00 0.00 O ATOM 143 CB ILE A 13 -1.722 4.220 6.454 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.058 3.530 5.131 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.065 3.318 7.631 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.498 3.076 5.035 1.00 0.00 C ATOM 0 H ILE A 13 -1.417 6.373 4.952 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.537 5.356 6.711 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.651 4.420 6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.846 4.214 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.404 2.667 5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.525 2.376 7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.779 3.809 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.137 3.122 7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.665 2.596 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.710 2.367 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.158 3.938 5.130 1.00 0.00 H new ATOM 158 N HIS A 14 -2.577 6.139 8.920 1.00 0.00 N ATOM 159 CA HIS A 14 -2.163 6.816 10.144 1.00 0.00 C ATOM 160 C HIS A 14 -1.646 5.813 11.171 1.00 0.00 C ATOM 161 O HIS A 14 -2.427 5.118 11.821 1.00 0.00 O ATOM 162 CB HIS A 14 -3.330 7.610 10.731 1.00 0.00 C ATOM 163 CG HIS A 14 -3.626 8.877 9.989 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.721 9.911 9.874 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.734 9.272 9.320 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.261 10.889 9.168 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.482 10.526 8.819 1.00 0.00 N ATOM 0 H HIS A 14 -3.380 5.521 9.031 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.354 7.503 9.895 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.221 6.983 10.732 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.108 7.851 11.771 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.647 8.707 9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.785 11.826 8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.132 11.086 8.267 1.00 0.00 H new ATOM 175 N ARG A 15 -0.326 5.744 11.311 1.00 0.00 N ATOM 176 CA ARG A 15 0.295 4.825 12.258 1.00 0.00 C ATOM 177 C ARG A 15 0.855 5.580 13.460 1.00 0.00 C ATOM 178 O ARG A 15 2.036 5.923 13.514 1.00 0.00 O ATOM 179 CB ARG A 15 1.411 4.033 11.575 1.00 0.00 C ATOM 180 CG ARG A 15 0.963 3.316 10.311 1.00 0.00 C ATOM 181 CD ARG A 15 2.151 2.833 9.494 1.00 0.00 C ATOM 182 NE ARG A 15 1.829 1.645 8.709 1.00 0.00 N ATOM 183 CZ ARG A 15 1.259 1.689 7.510 1.00 0.00 C ATOM 184 NH1 ARG A 15 0.951 2.856 6.961 1.00 0.00 N ATOM 185 NH2 ARG A 15 0.997 0.564 6.857 1.00 0.00 N ATOM 0 H ARG A 15 0.334 6.313 10.781 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.470 4.133 12.609 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.228 4.711 11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.807 3.300 12.278 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.333 2.467 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.354 3.988 9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.480 3.630 8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.984 2.612 10.161 1.00 0.00 H new ATOM 0 HE ARG A 15 2.054 0.731 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.152 3.723 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.513 2.887 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.233 -0.336 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.559 0.599 5.936 1.00 0.00 H new ATOM 199 N PRO A 16 -0.013 5.846 14.448 1.00 0.00 N ATOM 200 CA PRO A 16 0.372 6.562 15.668 1.00 0.00 C ATOM 201 C PRO A 16 1.289 5.734 16.562 1.00 0.00 C ATOM 202 O PRO A 16 2.159 6.273 17.247 1.00 0.00 O ATOM 203 CB PRO A 16 -0.966 6.819 16.366 1.00 0.00 C ATOM 204 CG PRO A 16 -1.867 5.744 15.865 1.00 0.00 C ATOM 205 CD PRO A 16 -1.435 5.466 14.451 1.00 0.00 C ATOM 0 HA PRO A 16 0.934 7.469 15.447 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.862 6.775 17.450 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.356 7.807 16.123 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.786 4.848 16.481 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.909 6.061 15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.571 4.417 14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.009 6.052 13.733 1.00 0.00 H new ATOM 213 N HIS A 17 1.089 4.419 16.551 1.00 0.00 N ATOM 214 CA HIS A 17 1.898 3.516 17.361 1.00 0.00 C ATOM 215 C HIS A 17 2.474 2.390 16.507 1.00 0.00 C ATOM 216 O HIS A 17 1.876 1.985 15.511 1.00 0.00 O ATOM 217 CB HIS A 17 1.064 2.932 18.501 1.00 0.00 C ATOM 218 CG HIS A 17 1.855 2.656 19.742 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.145 1.382 20.182 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.420 3.499 20.638 1.00 0.00 C ATOM 221 CE1 HIS A 17 2.852 1.452 21.295 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.033 2.726 21.593 1.00 0.00 N ATOM 0 H HIS A 17 0.374 3.956 15.990 1.00 0.00 H new ATOM 0 HA HIS A 17 2.724 4.088 17.783 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.257 3.624 18.741 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.600 2.006 18.163 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.394 4.578 20.607 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.220 0.611 21.864 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.545 3.078 22.402 1.00 0.00 H new ATOM 230 N ALA A 18 3.639 1.889 16.905 1.00 0.00 N ATOM 231 CA ALA A 18 4.295 0.809 16.177 1.00 0.00 C ATOM 232 C ALA A 18 3.864 -0.553 16.711 1.00 0.00 C ATOM 233 O ALA A 18 3.806 -1.531 15.967 1.00 0.00 O ATOM 234 CB ALA A 18 5.806 0.958 16.262 1.00 0.00 C ATOM 0 H ALA A 18 4.148 2.214 17.727 1.00 0.00 H new ATOM 0 HA ALA A 18 3.993 0.872 15.131 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.283 0.145 15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.103 1.912 15.827 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.117 0.923 17.306 1.00 0.00 H new ATOM 240 N ARG A 19 3.565 -0.608 18.005 1.00 0.00 N ATOM 241 CA ARG A 19 3.142 -1.851 18.639 1.00 0.00 C ATOM 242 C ARG A 19 1.649 -2.087 18.430 1.00 0.00 C ATOM 243 O ARG A 19 0.999 -2.754 19.235 1.00 0.00 O ATOM 244 CB ARG A 19 3.461 -1.820 20.135 1.00 0.00 C ATOM 245 CG ARG A 19 4.784 -1.149 20.462 1.00 0.00 C ATOM 246 CD ARG A 19 5.922 -2.156 20.515 1.00 0.00 C ATOM 247 NE ARG A 19 5.749 -3.120 21.600 1.00 0.00 N ATOM 248 CZ ARG A 19 6.516 -4.192 21.759 1.00 0.00 C ATOM 249 NH1 ARG A 19 7.504 -4.438 20.908 1.00 0.00 N ATOM 250 NH2 ARG A 19 6.297 -5.022 22.770 1.00 0.00 N ATOM 0 H ARG A 19 3.608 0.193 18.634 1.00 0.00 H new ATOM 0 HA ARG A 19 3.690 -2.671 18.175 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.660 -1.298 20.658 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.478 -2.841 20.515 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.003 -0.390 19.711 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.706 -0.636 21.421 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.981 -2.686 19.565 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.867 -1.629 20.645 1.00 0.00 H new ATOM 0 HE ARG A 19 4.998 -2.960 22.272 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.676 -3.803 20.129 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.091 -5.262 21.033 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.539 -4.837 23.427 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.887 -5.845 22.891 1.00 0.00 H new ATOM 264 N GLU A 20 1.113 -1.535 17.346 1.00 0.00 N ATOM 265 CA GLU A 20 -0.303 -1.684 17.034 1.00 0.00 C ATOM 266 C GLU A 20 -0.493 -2.322 15.661 1.00 0.00 C ATOM 267 O GLU A 20 0.121 -1.903 14.681 1.00 0.00 O ATOM 268 CB GLU A 20 -1.004 -0.325 17.079 1.00 0.00 C ATOM 269 CG GLU A 20 -1.043 0.295 18.465 1.00 0.00 C ATOM 270 CD GLU A 20 -2.085 -0.346 19.362 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.035 -1.582 19.539 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.949 0.387 19.886 1.00 0.00 O ATOM 0 H GLU A 20 1.638 -0.981 16.670 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.747 -2.338 17.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.496 0.359 16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.024 -0.440 16.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.061 0.200 18.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.252 1.361 18.376 1.00 0.00 H new ATOM 279 N GLN A 21 -1.348 -3.338 15.600 1.00 0.00 N ATOM 280 CA GLN A 21 -1.618 -4.035 14.348 1.00 0.00 C ATOM 281 C GLN A 21 -1.934 -3.045 13.232 1.00 0.00 C ATOM 282 O GLN A 21 -2.030 -1.839 13.465 1.00 0.00 O ATOM 283 CB GLN A 21 -2.781 -5.012 14.524 1.00 0.00 C ATOM 284 CG GLN A 21 -2.598 -5.973 15.688 1.00 0.00 C ATOM 285 CD GLN A 21 -3.446 -7.223 15.552 1.00 0.00 C ATOM 286 OE1 GLN A 21 -3.634 -7.742 14.452 1.00 0.00 O ATOM 287 NE2 GLN A 21 -3.963 -7.712 16.673 1.00 0.00 N ATOM 0 H GLN A 21 -1.865 -3.697 16.403 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.723 -4.593 14.072 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.701 -4.446 14.672 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.904 -5.586 13.606 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.548 -6.257 15.758 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.854 -5.465 16.618 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.781 -7.249 17.563 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.542 -8.551 16.644 1.00 0.00 H new ATOM 296 N LEU A 22 -2.096 -3.561 12.018 1.00 0.00 N ATOM 297 CA LEU A 22 -2.402 -2.723 10.864 1.00 0.00 C ATOM 298 C LEU A 22 -3.839 -2.937 10.401 1.00 0.00 C ATOM 299 O LEU A 22 -4.651 -2.013 10.415 1.00 0.00 O ATOM 300 CB LEU A 22 -1.434 -3.024 9.719 1.00 0.00 C ATOM 301 CG LEU A 22 -0.078 -2.321 9.783 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.783 -2.711 8.592 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.262 -0.811 9.839 1.00 0.00 C ATOM 0 H LEU A 22 -2.020 -4.556 11.808 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.288 -1.681 11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.262 -4.100 9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.917 -2.752 8.781 1.00 0.00 H new ATOM 0 HG LEU A 22 0.432 -2.639 10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.744 -2.201 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.944 -3.789 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.279 -2.423 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.714 -0.327 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.792 -0.476 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.839 -0.547 10.725 1.00 0.00 H new ATOM 315 N GLY A 23 -4.147 -4.164 9.992 1.00 0.00 N ATOM 316 CA GLY A 23 -5.486 -4.479 9.532 1.00 0.00 C ATOM 317 C GLY A 23 -5.497 -5.066 8.134 1.00 0.00 C ATOM 318 O GLY A 23 -6.156 -6.075 7.882 1.00 0.00 O ATOM 0 H GLY A 23 -3.492 -4.946 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.947 -5.185 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.094 -3.575 9.548 1.00 0.00 H new ATOM 322 N PHE A 24 -4.766 -4.432 7.223 1.00 0.00 N ATOM 323 CA PHE A 24 -4.696 -4.896 5.842 1.00 0.00 C ATOM 324 C PHE A 24 -3.616 -5.962 5.681 1.00 0.00 C ATOM 325 O PHE A 24 -2.508 -5.822 6.200 1.00 0.00 O ATOM 326 CB PHE A 24 -4.415 -3.723 4.901 1.00 0.00 C ATOM 327 CG PHE A 24 -3.083 -3.070 5.138 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.927 -2.131 6.145 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.988 -3.396 4.355 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.703 -1.528 6.365 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.761 -2.797 4.571 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.618 -1.862 5.577 1.00 0.00 C ATOM 0 H PHE A 24 -4.214 -3.596 7.416 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.659 -5.337 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.460 -4.076 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.202 -2.978 5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.771 -1.867 6.765 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.094 -4.127 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.595 -0.796 7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.085 -3.060 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.340 -1.393 5.748 1.00 0.00 H new ATOM 342 N CYS A 25 -3.947 -7.027 4.959 1.00 0.00 N ATOM 343 CA CYS A 25 -3.007 -8.118 4.730 1.00 0.00 C ATOM 344 C CYS A 25 -2.431 -8.052 3.319 1.00 0.00 C ATOM 345 O CYS A 25 -3.170 -8.022 2.336 1.00 0.00 O ATOM 346 CB CYS A 25 -3.695 -9.466 4.950 1.00 0.00 C ATOM 347 SG CYS A 25 -3.765 -9.985 6.680 1.00 0.00 S ATOM 0 H CYS A 25 -4.859 -7.158 4.522 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.189 -8.015 5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.710 -9.412 4.557 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.170 -10.228 4.374 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.367 -11.134 6.764 1.00 0.00 H new ATOM 353 N VAL A 26 -1.105 -8.028 3.228 1.00 0.00 N ATOM 354 CA VAL A 26 -0.428 -7.965 1.938 1.00 0.00 C ATOM 355 C VAL A 26 0.272 -9.281 1.619 1.00 0.00 C ATOM 356 O VAL A 26 0.873 -9.903 2.494 1.00 0.00 O ATOM 357 CB VAL A 26 0.606 -6.824 1.902 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.292 -6.768 0.546 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.056 -5.494 2.229 1.00 0.00 C ATOM 0 H VAL A 26 -0.478 -8.051 4.032 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.195 -7.774 1.187 1.00 0.00 H new ATOM 0 HB VAL A 26 1.365 -7.021 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.019 -5.956 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.802 -7.713 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.548 -6.595 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.690 -4.699 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.837 -5.287 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.496 -5.542 3.225 1.00 0.00 H new ATOM 369 N GLU A 27 0.190 -9.699 0.360 1.00 0.00 N ATOM 370 CA GLU A 27 0.816 -10.942 -0.074 1.00 0.00 C ATOM 371 C GLU A 27 1.565 -10.744 -1.389 1.00 0.00 C ATOM 372 O GLU A 27 0.957 -10.501 -2.431 1.00 0.00 O ATOM 373 CB GLU A 27 -0.237 -12.040 -0.235 1.00 0.00 C ATOM 374 CG GLU A 27 -0.552 -12.776 1.057 1.00 0.00 C ATOM 375 CD GLU A 27 0.458 -13.862 1.371 1.00 0.00 C ATOM 376 OE1 GLU A 27 1.672 -13.576 1.317 1.00 0.00 O ATOM 377 OE2 GLU A 27 0.034 -14.998 1.669 1.00 0.00 O ATOM 0 H GLU A 27 -0.304 -9.195 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 27 1.532 -11.244 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.154 -11.598 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.110 -12.759 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.580 -12.062 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.545 -13.219 0.986 1.00 0.00 H new ATOM 384 N ASP A 28 2.888 -10.850 -1.331 1.00 0.00 N ATOM 385 CA ASP A 28 3.721 -10.683 -2.516 1.00 0.00 C ATOM 386 C ASP A 28 3.554 -9.286 -3.105 1.00 0.00 C ATOM 387 O ASP A 28 3.725 -9.083 -4.307 1.00 0.00 O ATOM 388 CB ASP A 28 3.369 -11.738 -3.565 1.00 0.00 C ATOM 389 CG ASP A 28 4.059 -13.064 -3.308 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.255 -13.410 -2.124 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.401 -13.754 -4.290 1.00 0.00 O ATOM 0 H ASP A 28 3.407 -11.051 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 28 4.762 -10.810 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.290 -11.890 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.649 -11.372 -4.553 1.00 0.00 H new ATOM 396 N GLY A 29 3.218 -8.324 -2.251 1.00 0.00 N ATOM 397 CA GLY A 29 3.032 -6.959 -2.706 1.00 0.00 C ATOM 398 C GLY A 29 1.626 -6.702 -3.211 1.00 0.00 C ATOM 399 O GLY A 29 1.392 -5.751 -3.957 1.00 0.00 O ATOM 0 H GLY A 29 3.071 -8.466 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.252 -6.273 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.745 -6.744 -3.502 1.00 0.00 H new ATOM 403 N ILE A 30 0.689 -7.553 -2.807 1.00 0.00 N ATOM 404 CA ILE A 30 -0.700 -7.414 -3.224 1.00 0.00 C ATOM 405 C ILE A 30 -1.653 -7.706 -2.070 1.00 0.00 C ATOM 406 O ILE A 30 -1.672 -8.814 -1.533 1.00 0.00 O ATOM 407 CB ILE A 30 -1.032 -8.353 -4.399 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.155 -8.021 -5.609 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.506 -8.248 -4.761 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.322 -8.989 -6.759 1.00 0.00 C ATOM 0 H ILE A 30 0.867 -8.346 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.830 -6.381 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.825 -9.379 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.392 -7.015 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.890 -8.014 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.725 -8.917 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.113 -8.528 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.738 -7.223 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.329 -8.693 -7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.057 -9.994 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.359 -8.979 -7.095 1.00 0.00 H new ATOM 422 N ILE A 31 -2.443 -6.706 -1.695 1.00 0.00 N ATOM 423 CA ILE A 31 -3.401 -6.857 -0.607 1.00 0.00 C ATOM 424 C ILE A 31 -4.475 -7.882 -0.957 1.00 0.00 C ATOM 425 O ILE A 31 -4.972 -7.914 -2.084 1.00 0.00 O ATOM 426 CB ILE A 31 -4.079 -5.517 -0.263 1.00 0.00 C ATOM 427 CG1 ILE A 31 -3.024 -4.435 -0.020 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.975 -5.675 0.956 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.520 -3.035 -0.303 1.00 0.00 C ATOM 0 H ILE A 31 -2.439 -5.783 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.840 -7.204 0.260 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.698 -5.212 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.689 -4.491 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.156 -4.638 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.447 -4.720 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.744 -6.419 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.377 -5.999 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.721 -2.320 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.828 -2.962 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.370 -2.813 0.342 1.00 0.00 H new ATOM 441 N CYS A 32 -4.829 -8.715 0.014 1.00 0.00 N ATOM 442 CA CYS A 32 -5.845 -9.741 -0.191 1.00 0.00 C ATOM 443 C CYS A 32 -7.057 -9.493 0.702 1.00 0.00 C ATOM 444 O CYS A 32 -8.196 -9.509 0.237 1.00 0.00 O ATOM 445 CB CYS A 32 -5.264 -11.128 0.091 1.00 0.00 C ATOM 446 SG CYS A 32 -4.354 -11.843 -1.297 1.00 0.00 S ATOM 0 H CYS A 32 -4.428 -8.700 0.952 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.167 -9.695 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.599 -11.063 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.076 -11.802 0.365 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.900 -13.014 -0.961 1.00 0.00 H new ATOM 452 N SER A 33 -6.802 -9.265 1.986 1.00 0.00 N ATOM 453 CA SER A 33 -7.872 -9.018 2.946 1.00 0.00 C ATOM 454 C SER A 33 -7.637 -7.711 3.697 1.00 0.00 C ATOM 455 O SER A 33 -6.503 -7.248 3.822 1.00 0.00 O ATOM 456 CB SER A 33 -7.973 -10.179 3.938 1.00 0.00 C ATOM 457 OG SER A 33 -8.525 -11.329 3.322 1.00 0.00 O ATOM 0 H SER A 33 -5.864 -9.246 2.386 1.00 0.00 H new ATOM 0 HA SER A 33 -8.809 -8.937 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.984 -10.413 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.591 -9.884 4.786 1.00 0.00 H new ATOM 0 HG SER A 33 -8.577 -12.057 3.976 1.00 0.00 H new ATOM 463 N LEU A 34 -8.718 -7.121 4.195 1.00 0.00 N ATOM 464 CA LEU A 34 -8.632 -5.866 4.935 1.00 0.00 C ATOM 465 C LEU A 34 -9.438 -5.940 6.228 1.00 0.00 C ATOM 466 O LEU A 34 -10.621 -6.283 6.216 1.00 0.00 O ATOM 467 CB LEU A 34 -9.136 -4.707 4.072 1.00 0.00 C ATOM 468 CG LEU A 34 -8.503 -3.342 4.346 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.797 -2.379 3.207 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.006 -2.778 5.667 1.00 0.00 C ATOM 0 H LEU A 34 -9.664 -7.491 4.100 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.586 -5.694 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.968 -4.960 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.214 -4.620 4.210 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.423 -3.470 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.339 -1.413 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.388 -2.778 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.875 -2.254 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.546 -1.806 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.089 -2.664 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.744 -3.459 6.477 1.00 0.00 H new ATOM 482 N LEU A 35 -8.791 -5.615 7.341 1.00 0.00 N ATOM 483 CA LEU A 35 -9.448 -5.642 8.644 1.00 0.00 C ATOM 484 C LEU A 35 -10.529 -4.570 8.730 1.00 0.00 C ATOM 485 O LEU A 35 -10.234 -3.390 8.920 1.00 0.00 O ATOM 486 CB LEU A 35 -8.421 -5.438 9.759 1.00 0.00 C ATOM 487 CG LEU A 35 -8.982 -5.343 11.178 1.00 0.00 C ATOM 488 CD1 LEU A 35 -9.166 -6.730 11.774 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.069 -4.501 12.057 1.00 0.00 C ATOM 0 H LEU A 35 -7.812 -5.330 7.368 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.919 -6.617 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.709 -6.263 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.862 -4.526 9.549 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.957 -4.858 11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.566 -6.642 12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.860 -7.302 11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.204 -7.242 11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.484 -4.444 13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.080 -4.958 12.097 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.988 -3.497 11.641 1.00 0.00 H new ATOM 501 N ARG A 36 -11.783 -4.988 8.592 1.00 0.00 N ATOM 502 CA ARG A 36 -12.909 -4.064 8.656 1.00 0.00 C ATOM 503 C ARG A 36 -12.953 -3.353 10.006 1.00 0.00 C ATOM 504 O ARG A 36 -13.143 -3.984 11.045 1.00 0.00 O ATOM 505 CB ARG A 36 -14.223 -4.810 8.417 1.00 0.00 C ATOM 506 CG ARG A 36 -15.410 -3.891 8.181 1.00 0.00 C ATOM 507 CD ARG A 36 -15.553 -3.532 6.710 1.00 0.00 C ATOM 508 NE ARG A 36 -16.942 -3.271 6.342 1.00 0.00 N ATOM 509 CZ ARG A 36 -17.832 -4.228 6.104 1.00 0.00 C ATOM 510 NH1 ARG A 36 -17.479 -5.503 6.196 1.00 0.00 N ATOM 511 NH2 ARG A 36 -19.077 -3.911 5.775 1.00 0.00 N ATOM 0 H ARG A 36 -12.045 -5.961 8.435 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.777 -3.315 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.106 -5.468 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.432 -5.446 9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.322 -4.376 8.528 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.289 -2.981 8.769 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.949 -2.652 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.163 -4.346 6.099 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.245 -2.300 6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.523 -5.750 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.164 -6.236 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.352 -2.931 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.759 -4.647 5.592 1.00 0.00 H new ATOM 525 N GLY A 37 -12.774 -2.036 9.982 1.00 0.00 N ATOM 526 CA GLY A 37 -12.797 -1.262 11.209 1.00 0.00 C ATOM 527 C GLY A 37 -11.405 -0.927 11.708 1.00 0.00 C ATOM 528 O GLY A 37 -11.182 -0.808 12.912 1.00 0.00 O ATOM 0 H GLY A 37 -12.613 -1.491 9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.352 -0.339 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.331 -1.821 11.978 1.00 0.00 H new ATOM 532 N GLY A 38 -10.465 -0.776 10.780 1.00 0.00 N ATOM 533 CA GLY A 38 -9.099 -0.456 11.153 1.00 0.00 C ATOM 534 C GLY A 38 -8.620 0.843 10.538 1.00 0.00 C ATOM 535 O GLY A 38 -9.416 1.745 10.277 1.00 0.00 O ATOM 0 H GLY A 38 -10.625 -0.869 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.028 -0.388 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.441 -1.267 10.841 1.00 0.00 H new ATOM 539 N ILE A 39 -7.315 0.941 10.307 1.00 0.00 N ATOM 540 CA ILE A 39 -6.731 2.140 9.720 1.00 0.00 C ATOM 541 C ILE A 39 -6.778 2.085 8.197 1.00 0.00 C ATOM 542 O ILE A 39 -7.352 2.962 7.552 1.00 0.00 O ATOM 543 CB ILE A 39 -5.271 2.334 10.170 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.121 1.985 11.653 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.821 3.763 9.909 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.709 2.148 12.172 1.00 0.00 C ATOM 0 H ILE A 39 -6.642 0.204 10.518 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.326 2.984 10.070 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.636 1.663 9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.789 2.618 12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.440 0.955 11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.787 3.884 10.233 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.895 3.979 8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.458 4.452 10.464 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.677 1.884 13.229 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.039 1.494 11.614 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.393 3.184 12.047 1.00 0.00 H new ATOM 558 N ALA A 40 -6.172 1.048 7.628 1.00 0.00 N ATOM 559 CA ALA A 40 -6.149 0.876 6.181 1.00 0.00 C ATOM 560 C ALA A 40 -7.445 1.372 5.548 1.00 0.00 C ATOM 561 O ALA A 40 -7.436 2.306 4.747 1.00 0.00 O ATOM 562 CB ALA A 40 -5.911 -0.584 5.827 1.00 0.00 C ATOM 0 H ALA A 40 -5.690 0.314 8.148 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.329 1.473 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.896 -0.698 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.955 -0.907 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.711 -1.195 6.245 1.00 0.00 H new ATOM 568 N GLU A 41 -8.556 0.740 5.913 1.00 0.00 N ATOM 569 CA GLU A 41 -9.859 1.117 5.378 1.00 0.00 C ATOM 570 C GLU A 41 -10.018 2.634 5.352 1.00 0.00 C ATOM 571 O GLU A 41 -10.233 3.228 4.295 1.00 0.00 O ATOM 572 CB GLU A 41 -10.978 0.491 6.213 1.00 0.00 C ATOM 573 CG GLU A 41 -12.330 0.497 5.521 1.00 0.00 C ATOM 574 CD GLU A 41 -13.387 -0.265 6.297 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.067 -1.352 6.822 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.532 0.225 6.379 1.00 0.00 O ATOM 0 H GLU A 41 -8.580 -0.035 6.576 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.925 0.744 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.708 -0.537 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.060 1.030 7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.658 1.527 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.228 0.059 4.528 1.00 0.00 H new ATOM 583 N ARG A 42 -9.910 3.255 6.522 1.00 0.00 N ATOM 584 CA ARG A 42 -10.044 4.702 6.634 1.00 0.00 C ATOM 585 C ARG A 42 -9.074 5.412 5.694 1.00 0.00 C ATOM 586 O ARG A 42 -9.433 6.387 5.035 1.00 0.00 O ATOM 587 CB ARG A 42 -9.792 5.149 8.076 1.00 0.00 C ATOM 588 CG ARG A 42 -10.907 4.768 9.035 1.00 0.00 C ATOM 589 CD ARG A 42 -10.757 5.473 10.374 1.00 0.00 C ATOM 590 NE ARG A 42 -12.015 5.515 11.115 1.00 0.00 N ATOM 591 CZ ARG A 42 -12.138 6.056 12.322 1.00 0.00 C ATOM 592 NH1 ARG A 42 -11.087 6.597 12.921 1.00 0.00 N ATOM 593 NH2 ARG A 42 -13.317 6.056 12.932 1.00 0.00 N ATOM 0 H ARG A 42 -9.730 2.778 7.406 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.061 4.971 6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.858 4.710 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.662 6.231 8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.870 5.024 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.903 3.689 9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.002 4.961 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.399 6.489 10.210 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.844 5.107 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.180 6.599 12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.186 7.011 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.128 5.641 12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.412 6.471 13.859 1.00 0.00 H new ATOM 607 N GLY A 43 -7.842 4.916 5.638 1.00 0.00 N ATOM 608 CA GLY A 43 -6.839 5.515 4.776 1.00 0.00 C ATOM 609 C GLY A 43 -7.225 5.459 3.312 1.00 0.00 C ATOM 610 O GLY A 43 -7.063 6.435 2.582 1.00 0.00 O ATOM 0 H GLY A 43 -7.520 4.110 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.686 6.554 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.888 5.001 4.918 1.00 0.00 H new ATOM 614 N GLY A 44 -7.736 4.310 2.879 1.00 0.00 N ATOM 615 CA GLY A 44 -8.136 4.151 1.494 1.00 0.00 C ATOM 616 C GLY A 44 -7.528 2.919 0.852 1.00 0.00 C ATOM 617 O GLY A 44 -7.309 2.887 -0.359 1.00 0.00 O ATOM 0 H GLY A 44 -7.880 3.487 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.223 4.087 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.839 5.035 0.930 1.00 0.00 H new ATOM 621 N ILE A 45 -7.252 1.906 1.665 1.00 0.00 N ATOM 622 CA ILE A 45 -6.665 0.667 1.170 1.00 0.00 C ATOM 623 C ILE A 45 -7.732 -0.254 0.590 1.00 0.00 C ATOM 624 O ILE A 45 -8.782 -0.465 1.198 1.00 0.00 O ATOM 625 CB ILE A 45 -5.906 -0.081 2.282 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.904 0.854 2.963 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.197 -1.300 1.712 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.766 1.280 2.063 1.00 0.00 C ATOM 0 H ILE A 45 -7.425 1.918 2.670 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.962 0.944 0.385 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.625 -0.419 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.429 1.742 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.494 0.356 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.665 -1.818 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.931 -1.973 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.486 -0.984 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.096 1.941 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.216 0.400 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.165 1.807 1.196 1.00 0.00 H new ATOM 640 N ARG A 46 -7.456 -0.802 -0.589 1.00 0.00 N ATOM 641 CA ARG A 46 -8.393 -1.702 -1.251 1.00 0.00 C ATOM 642 C ARG A 46 -7.716 -3.021 -1.614 1.00 0.00 C ATOM 643 O ARG A 46 -6.707 -3.039 -2.319 1.00 0.00 O ATOM 644 CB ARG A 46 -8.961 -1.045 -2.510 1.00 0.00 C ATOM 645 CG ARG A 46 -10.180 -0.176 -2.247 1.00 0.00 C ATOM 646 CD ARG A 46 -11.468 -0.977 -2.349 1.00 0.00 C ATOM 647 NE ARG A 46 -11.821 -1.271 -3.736 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.037 -1.640 -4.122 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.012 -1.758 -3.232 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.280 -1.890 -5.403 1.00 0.00 N ATOM 0 H ARG A 46 -6.592 -0.639 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.209 -1.910 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.185 -0.436 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.227 -1.822 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.104 0.268 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.204 0.646 -2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.359 -1.910 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.279 -0.421 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.094 -1.188 -4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.830 -1.565 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.945 -2.042 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.533 -1.799 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.214 -2.173 -5.699 1.00 0.00 H new ATOM 664 N VAL A 47 -8.278 -4.123 -1.127 1.00 0.00 N ATOM 665 CA VAL A 47 -7.729 -5.446 -1.400 1.00 0.00 C ATOM 666 C VAL A 47 -7.812 -5.779 -2.885 1.00 0.00 C ATOM 667 O VAL A 47 -8.802 -5.472 -3.546 1.00 0.00 O ATOM 668 CB VAL A 47 -8.466 -6.535 -0.598 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.586 -6.133 0.864 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.837 -6.803 -1.200 1.00 0.00 C ATOM 0 H VAL A 47 -9.113 -4.126 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.683 -5.425 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.885 -7.456 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.109 -6.915 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.591 -5.996 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.144 -5.200 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.344 -7.575 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.428 -5.888 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.722 -7.139 -2.231 1.00 0.00 H new ATOM 680 N GLY A 48 -6.763 -6.411 -3.403 1.00 0.00 N ATOM 681 CA GLY A 48 -6.737 -6.777 -4.808 1.00 0.00 C ATOM 682 C GLY A 48 -5.958 -5.787 -5.650 1.00 0.00 C ATOM 683 O GLY A 48 -6.058 -5.791 -6.877 1.00 0.00 O ATOM 0 H GLY A 48 -5.931 -6.676 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.294 -7.767 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.759 -6.843 -5.182 1.00 0.00 H new ATOM 687 N HIS A 49 -5.180 -4.935 -4.991 1.00 0.00 N ATOM 688 CA HIS A 49 -4.380 -3.933 -5.687 1.00 0.00 C ATOM 689 C HIS A 49 -2.893 -4.142 -5.419 1.00 0.00 C ATOM 690 O HIS A 49 -2.490 -4.433 -4.293 1.00 0.00 O ATOM 691 CB HIS A 49 -4.796 -2.527 -5.254 1.00 0.00 C ATOM 692 CG HIS A 49 -6.120 -2.097 -5.806 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.470 -0.774 -5.976 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.181 -2.823 -6.230 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.690 -0.705 -6.478 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.143 -1.935 -6.642 1.00 0.00 N ATOM 0 H HIS A 49 -5.086 -4.918 -3.975 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.557 -4.043 -6.757 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -4.836 -2.488 -4.165 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.032 -1.817 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.256 -3.900 -6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.226 0.203 -6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.059 -2.184 -7.014 1.00 0.00 H new ATOM 704 N ARG A 50 -2.082 -3.993 -6.462 1.00 0.00 N ATOM 705 CA ARG A 50 -0.640 -4.168 -6.339 1.00 0.00 C ATOM 706 C ARG A 50 0.038 -2.850 -5.976 1.00 0.00 C ATOM 707 O ARG A 50 -0.273 -1.804 -6.545 1.00 0.00 O ATOM 708 CB ARG A 50 -0.057 -4.711 -7.645 1.00 0.00 C ATOM 709 CG ARG A 50 1.461 -4.670 -7.698 1.00 0.00 C ATOM 710 CD ARG A 50 2.076 -5.845 -6.955 1.00 0.00 C ATOM 711 NE ARG A 50 2.277 -7.000 -7.826 1.00 0.00 N ATOM 712 CZ ARG A 50 3.084 -6.994 -8.880 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.764 -5.899 -9.192 1.00 0.00 N ATOM 714 NH2 ARG A 50 3.214 -8.085 -9.625 1.00 0.00 N ATOM 0 H ARG A 50 -2.399 -3.752 -7.401 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.453 -4.886 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.389 -5.740 -7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.457 -4.134 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.790 -4.682 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.816 -3.736 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.032 -5.543 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.430 -6.126 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 50 1.769 -7.859 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.668 -5.059 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.383 -5.897 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.693 -8.929 -9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.834 -8.079 -10.435 1.00 0.00 H new ATOM 728 N ILE A 51 0.966 -2.910 -5.026 1.00 0.00 N ATOM 729 CA ILE A 51 1.688 -1.722 -4.588 1.00 0.00 C ATOM 730 C ILE A 51 2.845 -1.405 -5.528 1.00 0.00 C ATOM 731 O ILE A 51 3.631 -2.285 -5.881 1.00 0.00 O ATOM 732 CB ILE A 51 2.234 -1.891 -3.158 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.095 -2.210 -2.188 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.972 -0.634 -2.722 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.052 -1.227 -2.258 1.00 0.00 C ATOM 0 H ILE A 51 1.235 -3.768 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 51 0.976 -0.897 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 51 2.937 -2.724 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.718 -3.211 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.488 -2.225 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.352 -0.768 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.804 -0.447 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.289 0.215 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.823 -1.516 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.310 -0.228 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.471 -1.228 -3.264 1.00 0.00 H new ATOM 747 N ILE A 52 2.945 -0.142 -5.930 1.00 0.00 N ATOM 748 CA ILE A 52 4.009 0.292 -6.827 1.00 0.00 C ATOM 749 C ILE A 52 4.841 1.404 -6.196 1.00 0.00 C ATOM 750 O ILE A 52 5.909 1.753 -6.697 1.00 0.00 O ATOM 751 CB ILE A 52 3.444 0.789 -8.171 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.392 1.875 -7.936 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.850 -0.370 -8.957 1.00 0.00 C ATOM 754 CD1 ILE A 52 1.910 2.535 -9.210 1.00 0.00 C ATOM 0 H ILE A 52 2.302 0.598 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 52 4.644 -0.576 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 52 4.259 1.218 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.539 1.437 -7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.809 2.637 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.455 -0.003 -9.904 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.624 -1.113 -9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.045 -0.826 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.166 3.294 -8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.753 3.003 -9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.463 1.784 -9.862 1.00 0.00 H new ATOM 766 N GLU A 53 4.343 1.954 -5.093 1.00 0.00 N ATOM 767 CA GLU A 53 5.042 3.025 -4.392 1.00 0.00 C ATOM 768 C GLU A 53 4.617 3.087 -2.928 1.00 0.00 C ATOM 769 O GLU A 53 3.477 2.768 -2.589 1.00 0.00 O ATOM 770 CB GLU A 53 4.771 4.370 -5.071 1.00 0.00 C ATOM 771 CG GLU A 53 5.912 5.363 -4.932 1.00 0.00 C ATOM 772 CD GLU A 53 5.528 6.760 -5.379 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.617 7.040 -6.592 1.00 0.00 O ATOM 774 OE2 GLU A 53 5.138 7.572 -4.515 1.00 0.00 O ATOM 0 H GLU A 53 3.459 1.676 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 53 6.111 2.814 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.576 4.200 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.867 4.806 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.236 5.395 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.762 5.018 -5.520 1.00 0.00 H new ATOM 781 N ILE A 54 5.541 3.497 -2.066 1.00 0.00 N ATOM 782 CA ILE A 54 5.261 3.601 -0.640 1.00 0.00 C ATOM 783 C ILE A 54 6.081 4.716 0.001 1.00 0.00 C ATOM 784 O ILE A 54 7.275 4.851 -0.261 1.00 0.00 O ATOM 785 CB ILE A 54 5.557 2.277 0.090 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.061 1.996 0.091 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.799 1.132 -0.564 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.782 2.571 1.290 1.00 0.00 C ATOM 0 H ILE A 54 6.490 3.762 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 54 4.200 3.831 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 54 5.222 2.365 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.221 0.918 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.500 2.407 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.018 0.203 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.728 1.331 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.107 1.040 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.844 2.333 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.653 3.653 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.370 2.141 2.203 1.00 0.00 H new ATOM 800 N ASN A 55 5.431 5.511 0.845 1.00 0.00 N ATOM 801 CA ASN A 55 6.100 6.614 1.525 1.00 0.00 C ATOM 802 C ASN A 55 7.101 7.298 0.599 1.00 0.00 C ATOM 803 O ASN A 55 8.115 7.830 1.048 1.00 0.00 O ATOM 804 CB ASN A 55 6.813 6.108 2.781 1.00 0.00 C ATOM 805 CG ASN A 55 5.842 5.685 3.866 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.079 6.500 4.385 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.867 4.404 4.215 1.00 0.00 N ATOM 0 H ASN A 55 4.442 5.412 1.074 1.00 0.00 H new ATOM 0 HA ASN A 55 5.343 7.343 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.450 5.264 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.465 6.892 3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.237 4.061 4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.516 3.763 3.758 1.00 0.00 H new ATOM 814 N GLY A 56 6.808 7.279 -0.698 1.00 0.00 N ATOM 815 CA GLY A 56 7.691 7.900 -1.668 1.00 0.00 C ATOM 816 C GLY A 56 8.847 7.001 -2.058 1.00 0.00 C ATOM 817 O GLY A 56 9.969 7.470 -2.245 1.00 0.00 O ATOM 0 H GLY A 56 5.975 6.844 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.121 8.161 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.081 8.831 -1.256 1.00 0.00 H new ATOM 821 N GLN A 57 8.573 5.706 -2.179 1.00 0.00 N ATOM 822 CA GLN A 57 9.601 4.740 -2.547 1.00 0.00 C ATOM 823 C GLN A 57 9.043 3.687 -3.499 1.00 0.00 C ATOM 824 O GLN A 57 8.052 3.024 -3.195 1.00 0.00 O ATOM 825 CB GLN A 57 10.168 4.065 -1.297 1.00 0.00 C ATOM 826 CG GLN A 57 10.935 5.012 -0.389 1.00 0.00 C ATOM 827 CD GLN A 57 12.292 5.388 -0.950 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.427 5.677 -2.139 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.308 5.385 -0.095 1.00 0.00 N ATOM 0 H GLN A 57 7.649 5.302 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 57 10.402 5.276 -3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.350 3.617 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.828 3.252 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.347 5.917 -0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.066 4.546 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.151 5.139 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.245 5.629 -0.416 1.00 0.00 H new ATOM 838 N SER A 58 9.686 3.540 -4.653 1.00 0.00 N ATOM 839 CA SER A 58 9.251 2.570 -5.652 1.00 0.00 C ATOM 840 C SER A 58 9.464 1.144 -5.154 1.00 0.00 C ATOM 841 O SER A 58 10.586 0.744 -4.842 1.00 0.00 O ATOM 842 CB SER A 58 10.008 2.783 -6.964 1.00 0.00 C ATOM 843 OG SER A 58 11.392 2.522 -6.802 1.00 0.00 O ATOM 0 H SER A 58 10.509 4.080 -4.919 1.00 0.00 H new ATOM 0 HA SER A 58 8.186 2.719 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.599 2.129 -7.734 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.866 3.808 -7.308 1.00 0.00 H new ATOM 0 HG SER A 58 11.517 1.841 -6.109 1.00 0.00 H new ATOM 849 N VAL A 59 8.378 0.381 -5.082 1.00 0.00 N ATOM 850 CA VAL A 59 8.445 -1.002 -4.623 1.00 0.00 C ATOM 851 C VAL A 59 7.674 -1.928 -5.556 1.00 0.00 C ATOM 852 O VAL A 59 7.292 -3.034 -5.174 1.00 0.00 O ATOM 853 CB VAL A 59 7.884 -1.147 -3.195 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.820 -0.500 -2.185 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.491 -0.542 -3.107 1.00 0.00 C ATOM 0 H VAL A 59 7.442 0.697 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 59 9.498 -1.285 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 59 7.810 -2.208 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.407 -0.612 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.796 -0.983 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.928 0.560 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.110 -0.653 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.537 0.516 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.827 -1.055 -3.802 1.00 0.00 H new ATOM 865 N VAL A 60 7.450 -1.470 -6.784 1.00 0.00 N ATOM 866 CA VAL A 60 6.726 -2.258 -7.774 1.00 0.00 C ATOM 867 C VAL A 60 7.410 -3.599 -8.015 1.00 0.00 C ATOM 868 O VAL A 60 6.762 -4.583 -8.369 1.00 0.00 O ATOM 869 CB VAL A 60 6.609 -1.506 -9.113 1.00 0.00 C ATOM 870 CG1 VAL A 60 7.947 -0.896 -9.502 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.102 -2.438 -10.204 1.00 0.00 C ATOM 0 H VAL A 60 7.760 -0.557 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 60 5.727 -2.429 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 60 5.889 -0.697 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.845 -0.369 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.266 -0.195 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.691 -1.686 -9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.025 -1.891 -11.143 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.797 -3.269 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.120 -2.823 -9.927 1.00 0.00 H new ATOM 881 N ALA A 61 8.724 -3.631 -7.819 1.00 0.00 N ATOM 882 CA ALA A 61 9.496 -4.853 -8.012 1.00 0.00 C ATOM 883 C ALA A 61 9.947 -5.434 -6.676 1.00 0.00 C ATOM 884 O ALA A 61 9.982 -6.652 -6.497 1.00 0.00 O ATOM 885 CB ALA A 61 10.698 -4.581 -8.905 1.00 0.00 C ATOM 0 H ALA A 61 9.276 -2.825 -7.527 1.00 0.00 H new ATOM 0 HA ALA A 61 8.854 -5.587 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.266 -5.501 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.356 -4.219 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.334 -3.828 -8.440 1.00 0.00 H new ATOM 891 N THR A 62 10.292 -4.556 -5.740 1.00 0.00 N ATOM 892 CA THR A 62 10.743 -4.982 -4.421 1.00 0.00 C ATOM 893 C THR A 62 9.870 -6.108 -3.880 1.00 0.00 C ATOM 894 O THR A 62 8.646 -6.099 -4.017 1.00 0.00 O ATOM 895 CB THR A 62 10.733 -3.813 -3.419 1.00 0.00 C ATOM 896 OG1 THR A 62 11.636 -2.789 -3.852 1.00 0.00 O ATOM 897 CG2 THR A 62 11.126 -4.288 -2.029 1.00 0.00 C ATOM 0 H THR A 62 10.268 -3.545 -5.871 1.00 0.00 H new ATOM 0 HA THR A 62 11.765 -5.342 -4.537 1.00 0.00 H new ATOM 0 HB THR A 62 9.721 -3.410 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.623 -2.048 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.112 -3.445 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.420 -5.046 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.129 -4.714 -2.060 1.00 0.00 H new ATOM 905 N PRO A 63 10.510 -7.103 -3.248 1.00 0.00 N ATOM 906 CA PRO A 63 9.811 -8.255 -2.671 1.00 0.00 C ATOM 907 C PRO A 63 8.984 -7.878 -1.446 1.00 0.00 C ATOM 908 O PRO A 63 9.240 -6.860 -0.802 1.00 0.00 O ATOM 909 CB PRO A 63 10.948 -9.201 -2.278 1.00 0.00 C ATOM 910 CG PRO A 63 12.125 -8.312 -2.070 1.00 0.00 C ATOM 911 CD PRO A 63 11.967 -7.180 -3.047 1.00 0.00 C ATOM 0 HA PRO A 63 9.099 -8.691 -3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.706 -9.756 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.140 -9.936 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.158 -7.941 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.056 -8.851 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.368 -6.247 -2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.491 -7.380 -3.981 1.00 0.00 H new ATOM 919 N HIS A 64 7.992 -8.704 -1.130 1.00 0.00 N ATOM 920 CA HIS A 64 7.129 -8.457 0.019 1.00 0.00 C ATOM 921 C HIS A 64 7.955 -8.247 1.285 1.00 0.00 C ATOM 922 O HIS A 64 7.817 -7.232 1.966 1.00 0.00 O ATOM 923 CB HIS A 64 6.160 -9.623 0.216 1.00 0.00 C ATOM 924 CG HIS A 64 5.494 -9.629 1.558 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.125 -9.603 1.719 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.018 -9.660 2.805 1.00 0.00 C ATOM 927 CE1 HIS A 64 3.835 -9.616 3.007 1.00 0.00 C ATOM 928 NE2 HIS A 64 4.966 -9.651 3.689 1.00 0.00 N ATOM 0 H HIS A 64 7.766 -9.550 -1.653 1.00 0.00 H new ATOM 0 HA HIS A 64 6.558 -7.549 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.395 -9.584 -0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.701 -10.560 0.084 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.443 -9.578 0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.068 -9.687 3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.842 -9.601 3.431 1.00 0.00 H new ATOM 936 N ALA A 65 8.812 -9.215 1.593 1.00 0.00 N ATOM 937 CA ALA A 65 9.661 -9.136 2.775 1.00 0.00 C ATOM 938 C ALA A 65 10.167 -7.714 2.994 1.00 0.00 C ATOM 939 O ALA A 65 9.911 -7.107 4.034 1.00 0.00 O ATOM 940 CB ALA A 65 10.831 -10.100 2.650 1.00 0.00 C ATOM 0 H ALA A 65 8.937 -10.063 1.040 1.00 0.00 H new ATOM 0 HA ALA A 65 9.062 -9.418 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.457 -10.030 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.455 -11.118 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.421 -9.843 1.770 1.00 0.00 H new ATOM 946 N ARG A 66 10.885 -7.188 2.007 1.00 0.00 N ATOM 947 CA ARG A 66 11.428 -5.837 2.093 1.00 0.00 C ATOM 948 C ARG A 66 10.309 -4.809 2.222 1.00 0.00 C ATOM 949 O ARG A 66 10.446 -3.815 2.937 1.00 0.00 O ATOM 950 CB ARG A 66 12.280 -5.528 0.860 1.00 0.00 C ATOM 951 CG ARG A 66 12.674 -4.064 0.744 1.00 0.00 C ATOM 952 CD ARG A 66 13.381 -3.577 1.999 1.00 0.00 C ATOM 953 NE ARG A 66 14.268 -2.450 1.724 1.00 0.00 N ATOM 954 CZ ARG A 66 15.360 -2.540 0.973 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.697 -3.700 0.425 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.117 -1.470 0.770 1.00 0.00 N ATOM 0 H ARG A 66 11.104 -7.676 1.139 1.00 0.00 H new ATOM 0 HA ARG A 66 12.055 -5.780 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.183 -6.137 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.729 -5.819 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.327 -3.929 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.784 -3.459 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.640 -3.282 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.957 -4.395 2.431 1.00 0.00 H new ATOM 0 HE ARG A 66 14.036 -1.544 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.117 -4.525 0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.536 -3.767 -0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.861 -0.577 1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.955 -1.540 0.193 1.00 0.00 H new ATOM 970 N ILE A 67 9.203 -5.054 1.527 1.00 0.00 N ATOM 971 CA ILE A 67 8.061 -4.149 1.565 1.00 0.00 C ATOM 972 C ILE A 67 7.501 -4.030 2.979 1.00 0.00 C ATOM 973 O ILE A 67 6.972 -2.986 3.361 1.00 0.00 O ATOM 974 CB ILE A 67 6.940 -4.618 0.619 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.359 -4.424 -0.839 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.651 -3.864 0.911 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.554 -5.253 -1.815 1.00 0.00 C ATOM 0 H ILE A 67 9.074 -5.872 0.931 1.00 0.00 H new ATOM 0 HA ILE A 67 8.420 -3.174 1.235 1.00 0.00 H new ATOM 0 HB ILE A 67 6.763 -5.680 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.258 -3.371 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.414 -4.679 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.868 -4.206 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.347 -4.049 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.814 -2.796 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.906 -5.065 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.674 -6.311 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.501 -4.982 -1.740 1.00 0.00 H new ATOM 989 N ILE A 68 7.623 -5.105 3.750 1.00 0.00 N ATOM 990 CA ILE A 68 7.132 -5.119 5.123 1.00 0.00 C ATOM 991 C ILE A 68 8.001 -4.251 6.027 1.00 0.00 C ATOM 992 O ILE A 68 7.492 -3.440 6.799 1.00 0.00 O ATOM 993 CB ILE A 68 7.090 -6.550 5.690 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.214 -7.445 4.811 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.575 -6.537 7.122 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.742 -7.102 4.878 1.00 0.00 C ATOM 0 H ILE A 68 8.057 -5.977 3.448 1.00 0.00 H new ATOM 0 HA ILE A 68 6.120 -4.715 5.101 1.00 0.00 H new ATOM 0 HB ILE A 68 8.102 -6.954 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.550 -7.367 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.351 -8.483 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.551 -7.556 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.235 -5.929 7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.569 -6.117 7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.181 -7.776 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.390 -7.208 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.593 -6.074 4.548 1.00 0.00 H new ATOM 1008 N GLU A 69 9.315 -4.428 5.923 1.00 0.00 N ATOM 1009 CA GLU A 69 10.254 -3.659 6.731 1.00 0.00 C ATOM 1010 C GLU A 69 10.096 -2.163 6.474 1.00 0.00 C ATOM 1011 O GLU A 69 10.229 -1.347 7.387 1.00 0.00 O ATOM 1012 CB GLU A 69 11.691 -4.090 6.430 1.00 0.00 C ATOM 1013 CG GLU A 69 12.180 -5.231 7.306 1.00 0.00 C ATOM 1014 CD GLU A 69 12.732 -4.751 8.635 1.00 0.00 C ATOM 1015 OE1 GLU A 69 13.537 -3.796 8.633 1.00 0.00 O ATOM 1016 OE2 GLU A 69 12.359 -5.331 9.676 1.00 0.00 O ATOM 0 H GLU A 69 9.752 -5.096 5.288 1.00 0.00 H new ATOM 0 HA GLU A 69 10.035 -3.854 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.760 -4.390 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.353 -3.234 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.358 -5.923 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.953 -5.786 6.775 1.00 0.00 H new ATOM 1023 N LEU A 70 9.812 -1.811 5.225 1.00 0.00 N ATOM 1024 CA LEU A 70 9.636 -0.413 4.846 1.00 0.00 C ATOM 1025 C LEU A 70 8.388 0.174 5.495 1.00 0.00 C ATOM 1026 O LEU A 70 8.477 1.030 6.377 1.00 0.00 O ATOM 1027 CB LEU A 70 9.542 -0.285 3.324 1.00 0.00 C ATOM 1028 CG LEU A 70 10.868 -0.114 2.582 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.628 0.018 1.086 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.624 1.096 3.111 1.00 0.00 C ATOM 0 H LEU A 70 9.699 -2.474 4.458 1.00 0.00 H new ATOM 0 HA LEU A 70 10.503 0.146 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.043 -1.172 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.905 0.568 3.090 1.00 0.00 H new ATOM 0 HG LEU A 70 11.477 -1.001 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.582 0.139 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.129 -0.878 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.000 0.888 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.565 1.202 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.021 1.993 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.828 0.962 4.173 1.00 0.00 H new ATOM 1042 N LEU A 71 7.224 -0.291 5.056 1.00 0.00 N ATOM 1043 CA LEU A 71 5.956 0.186 5.596 1.00 0.00 C ATOM 1044 C LEU A 71 6.040 0.364 7.108 1.00 0.00 C ATOM 1045 O LEU A 71 5.635 1.394 7.647 1.00 0.00 O ATOM 1046 CB LEU A 71 4.831 -0.790 5.248 1.00 0.00 C ATOM 1047 CG LEU A 71 4.180 -0.604 3.877 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.283 -1.787 3.547 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.390 0.695 3.834 1.00 0.00 C ATOM 0 H LEU A 71 7.132 -0.998 4.327 1.00 0.00 H new ATOM 0 HA LEU A 71 5.740 1.155 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.226 -1.804 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.056 -0.706 6.010 1.00 0.00 H new ATOM 0 HG LEU A 71 4.968 -0.552 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.828 -1.637 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.876 -2.701 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.501 -1.872 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.934 0.811 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.610 0.672 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.059 1.534 4.025 1.00 0.00 H new ATOM 1061 N THR A 72 6.573 -0.646 7.789 1.00 0.00 N ATOM 1062 CA THR A 72 6.712 -0.601 9.239 1.00 0.00 C ATOM 1063 C THR A 72 7.693 0.486 9.664 1.00 0.00 C ATOM 1064 O THR A 72 7.469 1.184 10.652 1.00 0.00 O ATOM 1065 CB THR A 72 7.190 -1.954 9.800 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.242 -2.979 9.478 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.373 -1.881 11.308 1.00 0.00 C ATOM 0 H THR A 72 6.915 -1.505 7.359 1.00 0.00 H new ATOM 0 HA THR A 72 5.725 -0.376 9.644 1.00 0.00 H new ATOM 0 HB THR A 72 8.152 -2.192 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.432 -3.331 8.583 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.711 -2.848 11.681 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.116 -1.120 11.548 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.424 -1.623 11.778 1.00 0.00 H new ATOM 1075 N GLU A 73 8.779 0.624 8.910 1.00 0.00 N ATOM 1076 CA GLU A 73 9.793 1.628 9.210 1.00 0.00 C ATOM 1077 C GLU A 73 9.200 3.033 9.163 1.00 0.00 C ATOM 1078 O GLU A 73 9.728 3.962 9.773 1.00 0.00 O ATOM 1079 CB GLU A 73 10.957 1.520 8.222 1.00 0.00 C ATOM 1080 CG GLU A 73 12.027 0.529 8.647 1.00 0.00 C ATOM 1081 CD GLU A 73 13.049 0.270 7.557 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.966 1.102 7.395 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.931 -0.763 6.866 1.00 0.00 O ATOM 0 H GLU A 73 8.979 0.054 8.088 1.00 0.00 H new ATOM 0 HA GLU A 73 10.163 1.443 10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.569 1.226 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.412 2.503 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.535 0.907 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.554 -0.412 8.928 1.00 0.00 H new ATOM 1090 N ALA A 74 8.099 3.179 8.433 1.00 0.00 N ATOM 1091 CA ALA A 74 7.432 4.469 8.307 1.00 0.00 C ATOM 1092 C ALA A 74 6.221 4.554 9.229 1.00 0.00 C ATOM 1093 O ALA A 74 5.278 3.772 9.105 1.00 0.00 O ATOM 1094 CB ALA A 74 7.016 4.709 6.863 1.00 0.00 C ATOM 0 H ALA A 74 7.650 2.420 7.920 1.00 0.00 H new ATOM 0 HA ALA A 74 8.137 5.245 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.519 5.676 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.899 4.701 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.332 3.922 6.546 1.00 0.00 H new ATOM 1100 N TYR A 75 6.253 5.506 10.154 1.00 0.00 N ATOM 1101 CA TYR A 75 5.159 5.691 11.100 1.00 0.00 C ATOM 1102 C TYR A 75 4.439 7.012 10.850 1.00 0.00 C ATOM 1103 O TYR A 75 4.926 7.867 10.111 1.00 0.00 O ATOM 1104 CB TYR A 75 5.685 5.648 12.536 1.00 0.00 C ATOM 1105 CG TYR A 75 6.854 4.708 12.725 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.107 5.012 12.207 1.00 0.00 C ATOM 1107 CD2 TYR A 75 6.705 3.515 13.422 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.177 4.155 12.376 1.00 0.00 C ATOM 1109 CE2 TYR A 75 7.770 2.653 13.598 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.004 2.977 13.073 1.00 0.00 C ATOM 1111 OH TYR A 75 10.068 2.121 13.245 1.00 0.00 O ATOM 0 H TYR A 75 7.025 6.162 10.269 1.00 0.00 H new ATOM 0 HA TYR A 75 4.448 4.878 10.956 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.985 6.652 12.834 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.876 5.347 13.201 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.247 5.934 11.663 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.740 3.257 13.833 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.144 4.406 11.965 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.637 1.730 14.144 1.00 0.00 H new ATOM 0 HH TYR A 75 9.778 1.338 13.759 1.00 0.00 H new ATOM 1121 N GLY A 76 3.275 7.172 11.472 1.00 0.00 N ATOM 1122 CA GLY A 76 2.506 8.391 11.305 1.00 0.00 C ATOM 1123 C GLY A 76 1.822 8.466 9.954 1.00 0.00 C ATOM 1124 O GLY A 76 1.067 7.568 9.584 1.00 0.00 O ATOM 0 H GLY A 76 2.851 6.479 12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.755 8.454 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.165 9.251 11.423 1.00 0.00 H new ATOM 1128 N GLU A 77 2.087 9.540 9.217 1.00 0.00 N ATOM 1129 CA GLU A 77 1.490 9.728 7.900 1.00 0.00 C ATOM 1130 C GLU A 77 2.239 8.923 6.842 1.00 0.00 C ATOM 1131 O GLU A 77 3.380 9.235 6.502 1.00 0.00 O ATOM 1132 CB GLU A 77 1.490 11.211 7.523 1.00 0.00 C ATOM 1133 CG GLU A 77 0.435 11.576 6.491 1.00 0.00 C ATOM 1134 CD GLU A 77 0.755 12.867 5.762 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.477 12.811 4.745 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.283 13.933 6.210 1.00 0.00 O ATOM 0 H GLU A 77 2.711 10.292 9.509 1.00 0.00 H new ATOM 0 HA GLU A 77 0.461 9.371 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.328 11.806 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.473 11.479 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.345 10.767 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.533 11.671 6.984 1.00 0.00 H new ATOM 1143 N VAL A 78 1.589 7.884 6.327 1.00 0.00 N ATOM 1144 CA VAL A 78 2.193 7.034 5.308 1.00 0.00 C ATOM 1145 C VAL A 78 1.400 7.089 4.006 1.00 0.00 C ATOM 1146 O VAL A 78 0.182 6.909 4.001 1.00 0.00 O ATOM 1147 CB VAL A 78 2.283 5.571 5.779 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.586 4.649 4.607 1.00 0.00 C ATOM 1149 CG2 VAL A 78 3.336 5.426 6.867 1.00 0.00 C ATOM 0 H VAL A 78 0.645 7.611 6.599 1.00 0.00 H new ATOM 0 HA VAL A 78 3.199 7.415 5.134 1.00 0.00 H new ATOM 0 HB VAL A 78 1.318 5.283 6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.646 3.619 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.793 4.732 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.537 4.934 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.386 4.386 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.307 5.733 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.071 6.056 7.716 1.00 0.00 H new ATOM 1159 N HIS A 79 2.100 7.338 2.904 1.00 0.00 N ATOM 1160 CA HIS A 79 1.461 7.415 1.595 1.00 0.00 C ATOM 1161 C HIS A 79 1.694 6.134 0.800 1.00 0.00 C ATOM 1162 O HIS A 79 2.823 5.828 0.414 1.00 0.00 O ATOM 1163 CB HIS A 79 1.995 8.617 0.814 1.00 0.00 C ATOM 1164 CG HIS A 79 1.363 9.916 1.209 1.00 0.00 C ATOM 1165 ND1 HIS A 79 0.678 10.720 0.323 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.315 10.550 2.404 1.00 0.00 C ATOM 1167 CE1 HIS A 79 0.236 11.792 0.956 1.00 0.00 C ATOM 1168 NE2 HIS A 79 0.609 11.713 2.220 1.00 0.00 N ATOM 0 H HIS A 79 3.109 7.490 2.891 1.00 0.00 H new ATOM 0 HA HIS A 79 0.389 7.537 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.073 8.687 0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.830 8.451 -0.251 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.751 10.205 3.330 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.334 12.596 0.515 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.406 12.404 2.942 1.00 0.00 H new ATOM 1176 N ILE A 80 0.620 5.389 0.560 1.00 0.00 N ATOM 1177 CA ILE A 80 0.708 4.141 -0.189 1.00 0.00 C ATOM 1178 C ILE A 80 0.001 4.257 -1.535 1.00 0.00 C ATOM 1179 O ILE A 80 -1.195 4.544 -1.598 1.00 0.00 O ATOM 1180 CB ILE A 80 0.097 2.968 0.600 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.935 2.671 1.846 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.005 1.733 -0.283 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.133 2.091 2.989 1.00 0.00 C ATOM 0 H ILE A 80 -0.321 5.628 0.873 1.00 0.00 H new ATOM 0 HA ILE A 80 1.767 3.945 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.907 3.247 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.731 1.975 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.414 3.591 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.439 0.912 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.639 1.952 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.989 1.449 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.791 1.906 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.646 2.795 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.325 1.154 2.673 1.00 0.00 H new ATOM 1195 N LYS A 81 0.748 4.030 -2.610 1.00 0.00 N ATOM 1196 CA LYS A 81 0.193 4.106 -3.957 1.00 0.00 C ATOM 1197 C LYS A 81 -0.233 2.726 -4.447 1.00 0.00 C ATOM 1198 O LYS A 81 0.605 1.878 -4.757 1.00 0.00 O ATOM 1199 CB LYS A 81 1.220 4.706 -4.920 1.00 0.00 C ATOM 1200 CG LYS A 81 0.608 5.247 -6.201 1.00 0.00 C ATOM 1201 CD LYS A 81 1.458 6.354 -6.801 1.00 0.00 C ATOM 1202 CE LYS A 81 1.319 7.650 -6.018 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.426 8.600 -6.317 1.00 0.00 N ATOM 0 H LYS A 81 1.739 3.792 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.686 4.749 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.754 5.511 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.957 3.944 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.500 4.438 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.393 5.627 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.503 6.045 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.163 6.520 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.364 8.118 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.308 7.430 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.362 9.419 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.340 8.123 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.350 8.922 -7.303 1.00 0.00 H new ATOM 1217 N THR A 82 -1.543 2.506 -4.518 1.00 0.00 N ATOM 1218 CA THR A 82 -2.080 1.230 -4.971 1.00 0.00 C ATOM 1219 C THR A 82 -2.437 1.278 -6.452 1.00 0.00 C ATOM 1220 O THR A 82 -2.886 2.306 -6.958 1.00 0.00 O ATOM 1221 CB THR A 82 -3.331 0.829 -4.166 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.307 1.875 -4.225 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.973 0.545 -2.715 1.00 0.00 C ATOM 0 H THR A 82 -2.251 3.196 -4.267 1.00 0.00 H new ATOM 0 HA THR A 82 -1.300 0.485 -4.812 1.00 0.00 H new ATOM 0 HB THR A 82 -3.744 -0.079 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.950 2.627 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.872 0.264 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.251 -0.271 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.538 1.438 -2.266 1.00 0.00 H new ATOM 1231 N MET A 83 -2.236 0.160 -7.141 1.00 0.00 N ATOM 1232 CA MET A 83 -2.539 0.076 -8.565 1.00 0.00 C ATOM 1233 C MET A 83 -2.948 -1.342 -8.951 1.00 0.00 C ATOM 1234 O MET A 83 -2.347 -2.326 -8.520 1.00 0.00 O ATOM 1235 CB MET A 83 -1.329 0.512 -9.393 1.00 0.00 C ATOM 1236 CG MET A 83 -1.564 0.451 -10.893 1.00 0.00 C ATOM 1237 SD MET A 83 -2.205 1.999 -11.560 1.00 0.00 S ATOM 1238 CE MET A 83 -0.933 2.406 -12.753 1.00 0.00 C ATOM 0 H MET A 83 -1.865 -0.700 -6.737 1.00 0.00 H new ATOM 0 HA MET A 83 -3.373 0.746 -8.773 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.059 1.531 -9.117 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.479 -0.122 -9.141 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.628 0.204 -11.394 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.265 -0.353 -11.114 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.221 3.303 -13.300 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.009 2.584 -12.234 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.811 1.578 -13.452 1.00 0.00 H new ATOM 1248 N PRO A 84 -3.996 -1.452 -9.781 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.509 -2.745 -10.243 1.00 0.00 C ATOM 1250 C PRO A 84 -3.550 -3.439 -11.204 1.00 0.00 C ATOM 1251 O PRO A 84 -3.274 -2.936 -12.293 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.810 -2.376 -10.960 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.617 -0.963 -11.391 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.760 -0.321 -10.334 1.00 0.00 C ATOM 0 HA PRO A 84 -4.644 -3.447 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.991 -3.029 -11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.669 -2.474 -10.296 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.134 -0.915 -12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.574 -0.449 -11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.103 0.439 -10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.364 0.168 -9.570 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.044 -4.598 -10.794 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.118 -5.362 -11.620 1.00 0.00 C ATOM 1264 C ALA A 85 -2.504 -5.285 -13.093 1.00 0.00 C ATOM 1265 O ALA A 85 -1.641 -5.204 -13.968 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.072 -6.812 -11.160 1.00 0.00 C ATOM 0 H ALA A 85 -3.260 -5.028 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.126 -4.925 -11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.376 -7.370 -11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.741 -6.854 -10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.066 -7.251 -11.241 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.805 -5.312 -13.361 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.305 -5.244 -14.729 1.00 0.00 C ATOM 1274 C ALA A 86 -3.713 -4.051 -15.471 1.00 0.00 C ATOM 1275 O ALA A 86 -2.908 -4.214 -16.389 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.825 -5.168 -14.732 1.00 0.00 C ATOM 0 H ALA A 86 -4.532 -5.380 -12.649 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.996 -6.151 -15.248 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.185 -5.118 -15.760 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.235 -6.054 -14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.146 -4.278 -14.191 1.00 0.00 H new ATOM 1282 N THR A 87 -4.116 -2.849 -15.069 1.00 0.00 N ATOM 1283 CA THR A 87 -3.627 -1.629 -15.698 1.00 0.00 C ATOM 1284 C THR A 87 -2.131 -1.716 -15.977 1.00 0.00 C ATOM 1285 O THR A 87 -1.706 -1.750 -17.133 1.00 0.00 O ATOM 1286 CB THR A 87 -3.902 -0.395 -14.818 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.311 -0.243 -14.613 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.339 0.864 -15.460 1.00 0.00 C ATOM 0 H THR A 87 -4.780 -2.695 -14.310 1.00 0.00 H new ATOM 0 HA THR A 87 -4.164 -1.522 -16.640 1.00 0.00 H new ATOM 0 HB THR A 87 -3.410 -0.545 -13.857 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.477 0.543 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.545 1.722 -14.820 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.262 0.757 -15.587 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.806 1.016 -16.433 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.336 -1.754 -14.914 1.00 0.00 N ATOM 1297 CA TYR A 88 0.114 -1.836 -15.045 1.00 0.00 C ATOM 1298 C TYR A 88 0.505 -2.789 -16.170 1.00 0.00 C ATOM 1299 O TYR A 88 1.129 -2.386 -17.152 1.00 0.00 O ATOM 1300 CB TYR A 88 0.741 -2.298 -13.729 1.00 0.00 C ATOM 1301 CG TYR A 88 2.164 -1.823 -13.537 1.00 0.00 C ATOM 1302 CD1 TYR A 88 3.041 -1.742 -14.611 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.630 -1.456 -12.281 1.00 0.00 C ATOM 1304 CE1 TYR A 88 4.342 -1.310 -14.440 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.929 -1.021 -12.101 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.781 -0.950 -13.183 1.00 0.00 C ATOM 1307 OH TYR A 88 6.076 -0.518 -13.009 1.00 0.00 O ATOM 0 H TYR A 88 -1.671 -1.729 -13.951 1.00 0.00 H new ATOM 0 HA TYR A 88 0.489 -0.842 -15.288 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.132 -1.938 -12.900 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.722 -3.387 -13.690 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.700 -2.022 -15.597 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.966 -1.512 -11.431 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.011 -1.254 -15.286 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.275 -0.738 -11.118 1.00 0.00 H new ATOM 0 HH TYR A 88 6.112 0.117 -12.264 1.00 0.00 H new ATOM 1317 N ARG A 89 0.134 -4.056 -16.019 1.00 0.00 N ATOM 1318 CA ARG A 89 0.447 -5.069 -17.021 1.00 0.00 C ATOM 1319 C ARG A 89 0.106 -4.570 -18.422 1.00 0.00 C ATOM 1320 O ARG A 89 0.836 -4.829 -19.380 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.318 -6.360 -16.728 1.00 0.00 C ATOM 1322 CG ARG A 89 0.083 -7.022 -15.419 1.00 0.00 C ATOM 1323 CD ARG A 89 1.262 -7.963 -15.609 1.00 0.00 C ATOM 1324 NE ARG A 89 1.314 -8.992 -14.574 1.00 0.00 N ATOM 1325 CZ ARG A 89 1.925 -10.161 -14.730 1.00 0.00 C ATOM 1326 NH1 ARG A 89 2.534 -10.448 -15.872 1.00 0.00 N ATOM 1327 NH2 ARG A 89 1.928 -11.046 -13.741 1.00 0.00 N ATOM 0 H ARG A 89 -0.384 -4.406 -15.213 1.00 0.00 H new ATOM 0 HA ARG A 89 1.517 -5.271 -16.976 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.386 -6.142 -16.703 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.155 -7.062 -17.545 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.341 -6.257 -14.687 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.765 -7.576 -15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.193 -8.437 -16.588 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.189 -7.390 -15.597 1.00 0.00 H new ATOM 0 HE ARG A 89 0.856 -8.803 -13.682 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.534 -9.770 -16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.002 -11.347 -15.988 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.461 -10.829 -12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.397 -11.944 -13.861 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.008 -3.855 -18.535 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.447 -3.320 -19.819 1.00 0.00 C ATOM 1343 C LEU A 90 -0.587 -2.131 -20.237 1.00 0.00 C ATOM 1344 O LEU A 90 -0.401 -1.873 -21.427 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.916 -2.900 -19.744 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.944 -4.008 -19.975 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.304 -3.597 -19.432 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -4.039 -4.347 -21.456 1.00 0.00 C ATOM 0 H LEU A 90 -1.624 -3.632 -17.753 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.338 -4.105 -20.568 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.098 -2.462 -18.763 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.087 -2.115 -20.480 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.616 -4.899 -19.439 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.022 -4.398 -19.606 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.226 -3.405 -18.362 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.640 -2.692 -19.939 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.775 -5.137 -21.602 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.343 -3.461 -22.013 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.067 -4.686 -21.815 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.064 -1.411 -19.251 1.00 0.00 N ATOM 1361 CA LEU A 91 0.779 -0.250 -19.515 1.00 0.00 C ATOM 1362 C LEU A 91 2.123 -0.675 -20.099 1.00 0.00 C ATOM 1363 O LEU A 91 2.594 -0.103 -21.083 1.00 0.00 O ATOM 1364 CB LEU A 91 0.999 0.548 -18.229 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.257 1.125 -17.575 1.00 0.00 C ATOM 1366 CD1 LEU A 91 0.059 1.647 -16.181 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.849 2.230 -18.438 1.00 0.00 C ATOM 0 H LEU A 91 -0.209 -1.611 -18.261 1.00 0.00 H new ATOM 0 HA LEU A 91 0.269 0.380 -20.244 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.498 -0.097 -17.506 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.681 1.370 -18.447 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.995 0.328 -17.484 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.847 2.054 -15.731 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.436 0.831 -15.564 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.814 2.430 -16.248 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.742 2.629 -17.957 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.116 3.028 -18.561 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.113 1.826 -19.415 1.00 0.00 H new ATOM 1379 N THR A 92 2.736 -1.684 -19.488 1.00 0.00 N ATOM 1380 CA THR A 92 4.025 -2.186 -19.948 1.00 0.00 C ATOM 1381 C THR A 92 3.848 -3.231 -21.044 1.00 0.00 C ATOM 1382 O THR A 92 4.736 -4.048 -21.286 1.00 0.00 O ATOM 1383 CB THR A 92 4.832 -2.805 -18.791 1.00 0.00 C ATOM 1384 OG1 THR A 92 4.184 -3.993 -18.322 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.979 -1.815 -17.645 1.00 0.00 C ATOM 0 H THR A 92 2.361 -2.170 -18.673 1.00 0.00 H new ATOM 0 HA THR A 92 4.572 -1.332 -20.348 1.00 0.00 H new ATOM 0 HB THR A 92 5.825 -3.057 -19.163 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.704 -4.381 -17.588 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.552 -2.274 -16.839 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.498 -0.924 -17.998 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.992 -1.537 -17.275 1.00 0.00 H new ATOM 1393 N GLY A 93 2.696 -3.198 -21.707 1.00 0.00 N ATOM 1394 CA GLY A 93 2.424 -4.147 -22.771 1.00 0.00 C ATOM 1395 C GLY A 93 3.107 -3.771 -24.071 1.00 0.00 C ATOM 1396 O GLY A 93 4.308 -3.503 -24.093 1.00 0.00 O ATOM 0 H GLY A 93 1.946 -2.531 -21.526 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.756 -5.138 -22.463 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.348 -4.207 -22.934 1.00 0.00 H new ATOM 1400 N GLN A 94 2.341 -3.754 -25.157 1.00 0.00 N ATOM 1401 CA GLN A 94 2.881 -3.410 -26.467 1.00 0.00 C ATOM 1402 C GLN A 94 3.331 -1.954 -26.505 1.00 0.00 C ATOM 1403 O GLN A 94 3.145 -1.210 -25.542 1.00 0.00 O ATOM 1404 CB GLN A 94 1.835 -3.662 -27.555 1.00 0.00 C ATOM 1405 CG GLN A 94 1.468 -5.128 -27.718 1.00 0.00 C ATOM 1406 CD GLN A 94 0.292 -5.334 -28.653 1.00 0.00 C ATOM 1407 OE1 GLN A 94 0.467 -5.670 -29.824 1.00 0.00 O ATOM 1408 NE2 GLN A 94 -0.916 -5.134 -28.139 1.00 0.00 N ATOM 0 H GLN A 94 1.345 -3.974 -25.156 1.00 0.00 H new ATOM 0 HA GLN A 94 3.748 -4.044 -26.653 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.934 -3.095 -27.320 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.212 -3.283 -28.505 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.331 -5.674 -28.099 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.229 -5.550 -26.742 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.015 -4.856 -27.163 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.745 -5.258 -28.721 1.00 0.00 H new TER 1417 GLN A 94