USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1060 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 69 TYR OH : rot 159:sc= 0.416 USER MOD Set 1.2: A 114 THR OG1 : rot -86:sc= 0.752 USER MOD Set 2.1: A 55 THR OG1 : rot -66:sc= 0.18 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 170:sc= -0.0062 (180deg=-0.144) USER MOD Set 3.1: A 17 SER OG : rot -27:sc= 1.16 USER MOD Set 3.2: A 100 HIS : no HE2:sc= -0.662 K(o=0.5,f=-3.5) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.207 (180deg=-0.949) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0129 (180deg=-0.286) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 45 MET CE :methyl -157:sc= -0.191 (180deg=-0.818) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0646 (180deg=-0.344) USER MOD Single : A 48 TYR OH : rot 100:sc= -0.405 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.02 X(o=-1,f=-0.71) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= 0.175 (180deg=0.0188) USER MOD Single : A 76 TYR OH : rot -14:sc= 0.955 USER MOD Single : A 80 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.32) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 89 ASN : amide:sc= -2.98! K(o=-3!,f=-1.2) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -18:sc= 0.214 USER MOD Single : A 95 THR OG1 : rot 77:sc= 0.798 USER MOD Single : A 96 THR OG1 : rot 79:sc= 0.971 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= 0.0248 (180deg=-1.13) USER MOD Single : A 111 MET CE :methyl 179:sc= -0.0518 (180deg=-0.0541) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -130:sc= -1.16 (180deg=-1.53) USER MOD Single : A 124 MET CE :methyl 159:sc= -0.175 (180deg=-0.762) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -121:sc= 0.549 (180deg=0.0682) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.769 -25.372 -23.026 1.00 0.00 N ATOM 2 CA MET A 1 18.697 -23.889 -23.002 1.00 0.00 C ATOM 3 C MET A 1 18.658 -23.367 -21.569 1.00 0.00 C ATOM 4 O MET A 1 18.696 -24.144 -20.615 1.00 0.00 O ATOM 5 CB MET A 1 17.458 -23.411 -23.762 1.00 0.00 C ATOM 6 CG MET A 1 16.153 -23.959 -23.207 1.00 0.00 C ATOM 7 SD MET A 1 14.718 -23.447 -24.172 1.00 0.00 S ATOM 8 CE MET A 1 15.123 -24.137 -25.774 1.00 0.00 C ATOM 0 H1 MET A 1 18.163 -25.737 -23.789 1.00 0.00 H new ATOM 0 H2 MET A 1 19.752 -25.669 -23.192 1.00 0.00 H new ATOM 0 H3 MET A 1 18.443 -25.750 -22.114 1.00 0.00 H new ATOM 0 HA MET A 1 19.591 -23.498 -23.487 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.425 -22.322 -23.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.549 -23.703 -24.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.201 -25.048 -23.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.032 -23.624 -22.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.208 -24.291 -26.346 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.776 -23.450 -26.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.632 -25.092 -25.641 1.00 0.00 H new ATOM 18 N ASP A 2 18.582 -22.046 -21.426 1.00 0.00 N ATOM 19 CA ASP A 2 18.540 -21.421 -20.109 1.00 0.00 C ATOM 20 C ASP A 2 17.527 -20.281 -20.075 1.00 0.00 C ATOM 21 O ASP A 2 16.869 -20.057 -19.058 1.00 0.00 O ATOM 22 CB ASP A 2 19.927 -20.899 -19.726 1.00 0.00 C ATOM 23 CG ASP A 2 20.938 -22.015 -19.555 1.00 0.00 C ATOM 24 OD1 ASP A 2 21.481 -22.485 -20.576 1.00 0.00 O ATOM 25 OD2 ASP A 2 21.183 -22.421 -18.400 1.00 0.00 O ATOM 0 H ASP A 2 18.548 -21.389 -22.206 1.00 0.00 H new ATOM 0 HA ASP A 2 18.230 -22.176 -19.387 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.277 -20.210 -20.494 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.855 -20.332 -18.798 1.00 0.00 H new ATOM 30 N ALA A 3 17.408 -19.566 -21.192 1.00 0.00 N ATOM 31 CA ALA A 3 16.474 -18.447 -21.299 1.00 0.00 C ATOM 32 C ALA A 3 16.808 -17.348 -20.293 1.00 0.00 C ATOM 33 O ALA A 3 16.566 -17.493 -19.094 1.00 0.00 O ATOM 34 CB ALA A 3 15.043 -18.928 -21.106 1.00 0.00 C ATOM 0 H ALA A 3 17.949 -19.743 -22.039 1.00 0.00 H new ATOM 0 HA ALA A 3 16.570 -18.025 -22.300 1.00 0.00 H new ATOM 0 HB1 ALA A 3 14.361 -18.082 -21.189 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.801 -19.666 -21.871 1.00 0.00 H new ATOM 0 HB3 ALA A 3 14.941 -19.381 -20.120 1.00 0.00 H new ATOM 40 N LEU A 4 17.362 -16.247 -20.790 1.00 0.00 N ATOM 41 CA LEU A 4 17.727 -15.123 -19.936 1.00 0.00 C ATOM 42 C LEU A 4 17.816 -13.831 -20.741 1.00 0.00 C ATOM 43 O LEU A 4 18.338 -13.815 -21.856 1.00 0.00 O ATOM 44 CB LEU A 4 19.062 -15.399 -19.239 1.00 0.00 C ATOM 45 CG LEU A 4 19.563 -14.279 -18.324 1.00 0.00 C ATOM 46 CD1 LEU A 4 18.572 -14.022 -17.199 1.00 0.00 C ATOM 47 CD2 LEU A 4 20.934 -14.626 -17.761 1.00 0.00 C ATOM 0 H LEU A 4 17.568 -16.109 -21.779 1.00 0.00 H new ATOM 0 HA LEU A 4 16.949 -15.004 -19.182 1.00 0.00 H new ATOM 0 HB2 LEU A 4 18.964 -16.311 -18.650 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.818 -15.590 -20.000 1.00 0.00 H new ATOM 0 HG LEU A 4 19.653 -13.367 -18.914 1.00 0.00 H new ATOM 0 HD11 LEU A 4 18.947 -13.222 -16.560 1.00 0.00 H new ATOM 0 HD12 LEU A 4 17.611 -13.729 -17.621 1.00 0.00 H new ATOM 0 HD13 LEU A 4 18.448 -14.930 -16.609 1.00 0.00 H new ATOM 0 HD21 LEU A 4 21.276 -13.819 -17.113 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.868 -15.550 -17.187 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.641 -14.757 -18.580 1.00 0.00 H new ATOM 59 N GLU A 5 17.302 -12.748 -20.165 1.00 0.00 N ATOM 60 CA GLU A 5 17.321 -11.447 -20.822 1.00 0.00 C ATOM 61 C GLU A 5 17.734 -10.353 -19.840 1.00 0.00 C ATOM 62 O GLU A 5 18.198 -9.286 -20.243 1.00 0.00 O ATOM 63 CB GLU A 5 15.947 -11.132 -21.417 1.00 0.00 C ATOM 64 CG GLU A 5 15.897 -9.818 -22.180 1.00 0.00 C ATOM 65 CD GLU A 5 14.528 -9.538 -22.769 1.00 0.00 C ATOM 66 OE1 GLU A 5 14.279 -9.954 -23.920 1.00 0.00 O ATOM 67 OE2 GLU A 5 13.704 -8.900 -22.079 1.00 0.00 O ATOM 0 H GLU A 5 16.867 -12.747 -19.243 1.00 0.00 H new ATOM 0 HA GLU A 5 18.054 -11.481 -21.628 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.657 -11.942 -22.086 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.211 -11.103 -20.613 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.175 -9.003 -21.511 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.636 -9.839 -22.981 1.00 0.00 H new ATOM 74 N GLY A 6 17.565 -10.630 -18.551 1.00 0.00 N ATOM 75 CA GLY A 6 17.926 -9.664 -17.530 1.00 0.00 C ATOM 76 C GLY A 6 19.428 -9.532 -17.367 1.00 0.00 C ATOM 77 O GLY A 6 20.087 -10.442 -16.864 1.00 0.00 O ATOM 0 H GLY A 6 17.184 -11.507 -18.195 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.504 -8.692 -17.787 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.484 -9.962 -16.579 1.00 0.00 H new ATOM 81 N GLU A 7 19.970 -8.396 -17.792 1.00 0.00 N ATOM 82 CA GLU A 7 21.403 -8.146 -17.695 1.00 0.00 C ATOM 83 C GLU A 7 21.774 -7.618 -16.312 1.00 0.00 C ATOM 84 O GLU A 7 21.337 -6.540 -15.911 1.00 0.00 O ATOM 85 CB GLU A 7 21.840 -7.151 -18.773 1.00 0.00 C ATOM 86 CG GLU A 7 23.319 -6.806 -18.728 1.00 0.00 C ATOM 87 CD GLU A 7 23.724 -5.834 -19.818 1.00 0.00 C ATOM 88 OE1 GLU A 7 23.586 -4.611 -19.604 1.00 0.00 O ATOM 89 OE2 GLU A 7 24.178 -6.294 -20.886 1.00 0.00 O ATOM 0 H GLU A 7 19.437 -7.632 -18.208 1.00 0.00 H new ATOM 0 HA GLU A 7 21.924 -9.091 -17.850 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.603 -7.565 -19.753 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.260 -6.235 -18.665 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.559 -6.376 -17.755 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.905 -7.720 -18.825 1.00 0.00 H new ATOM 96 N SER A 8 22.585 -8.388 -15.589 1.00 0.00 N ATOM 97 CA SER A 8 23.016 -7.999 -14.249 1.00 0.00 C ATOM 98 C SER A 8 24.323 -8.692 -13.876 1.00 0.00 C ATOM 99 O SER A 8 24.558 -9.840 -14.253 1.00 0.00 O ATOM 100 CB SER A 8 21.934 -8.341 -13.223 1.00 0.00 C ATOM 101 OG SER A 8 22.329 -7.958 -11.916 1.00 0.00 O ATOM 0 H SER A 8 22.956 -9.283 -15.908 1.00 0.00 H new ATOM 0 HA SER A 8 23.182 -6.922 -14.246 1.00 0.00 H new ATOM 0 HB2 SER A 8 21.005 -7.836 -13.488 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.732 -9.412 -13.246 1.00 0.00 H new ATOM 0 HG SER A 8 21.619 -8.186 -11.280 1.00 0.00 H new ATOM 107 N PHE A 9 25.170 -7.985 -13.134 1.00 0.00 N ATOM 108 CA PHE A 9 26.455 -8.531 -12.708 1.00 0.00 C ATOM 109 C PHE A 9 26.618 -8.431 -11.194 1.00 0.00 C ATOM 110 O PHE A 9 26.764 -9.443 -10.509 1.00 0.00 O ATOM 111 CB PHE A 9 27.602 -7.796 -13.405 1.00 0.00 C ATOM 112 CG PHE A 9 27.636 -8.006 -14.893 1.00 0.00 C ATOM 113 CD1 PHE A 9 26.829 -7.254 -15.731 1.00 0.00 C ATOM 114 CD2 PHE A 9 28.476 -8.954 -15.452 1.00 0.00 C ATOM 115 CE1 PHE A 9 26.859 -7.445 -17.100 1.00 0.00 C ATOM 116 CE2 PHE A 9 28.511 -9.150 -16.820 1.00 0.00 C ATOM 117 CZ PHE A 9 27.702 -8.393 -17.645 1.00 0.00 C ATOM 0 H PHE A 9 24.990 -7.033 -12.815 1.00 0.00 H new ATOM 0 HA PHE A 9 26.482 -9.584 -12.988 1.00 0.00 H new ATOM 0 HB2 PHE A 9 27.517 -6.729 -13.199 1.00 0.00 H new ATOM 0 HB3 PHE A 9 28.548 -8.129 -12.978 1.00 0.00 H new ATOM 0 HD1 PHE A 9 26.169 -6.510 -15.310 1.00 0.00 H new ATOM 0 HD2 PHE A 9 29.112 -9.548 -14.812 1.00 0.00 H new ATOM 0 HE1 PHE A 9 26.224 -6.853 -17.742 1.00 0.00 H new ATOM 0 HE2 PHE A 9 29.170 -9.894 -17.243 1.00 0.00 H new ATOM 0 HZ PHE A 9 27.729 -8.542 -18.714 1.00 0.00 H new ATOM 127 N ALA A 10 26.595 -7.205 -10.679 1.00 0.00 N ATOM 128 CA ALA A 10 26.742 -6.976 -9.246 1.00 0.00 C ATOM 129 C ALA A 10 26.073 -5.670 -8.829 1.00 0.00 C ATOM 130 O ALA A 10 26.167 -4.662 -9.531 1.00 0.00 O ATOM 131 CB ALA A 10 28.214 -6.965 -8.863 1.00 0.00 C ATOM 0 H ALA A 10 26.476 -6.356 -11.232 1.00 0.00 H new ATOM 0 HA ALA A 10 26.247 -7.791 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 10 28.310 -6.793 -7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.664 -7.925 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 10 28.725 -6.169 -9.405 1.00 0.00 H new ATOM 137 N LEU A 11 25.397 -5.693 -7.684 1.00 0.00 N ATOM 138 CA LEU A 11 24.711 -4.510 -7.176 1.00 0.00 C ATOM 139 C LEU A 11 25.547 -3.813 -6.107 1.00 0.00 C ATOM 140 O LEU A 11 26.665 -4.234 -5.807 1.00 0.00 O ATOM 141 CB LEU A 11 23.340 -4.886 -6.599 1.00 0.00 C ATOM 142 CG LEU A 11 22.317 -5.434 -7.606 1.00 0.00 C ATOM 143 CD1 LEU A 11 22.202 -4.518 -8.816 1.00 0.00 C ATOM 144 CD2 LEU A 11 22.686 -6.847 -8.035 1.00 0.00 C ATOM 0 H LEU A 11 25.310 -6.518 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 11 24.568 -3.824 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 11 23.488 -5.632 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 11 22.914 -4.004 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 11 21.345 -5.469 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.472 -4.927 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 11 21.880 -3.528 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 11 23.172 -4.442 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 11 21.948 -7.215 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 11 23.671 -6.840 -8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 11 22.704 -7.499 -7.162 1.00 0.00 H new ATOM 156 N SER A 12 24.995 -2.747 -5.536 1.00 0.00 N ATOM 157 CA SER A 12 25.688 -1.989 -4.499 1.00 0.00 C ATOM 158 C SER A 12 25.671 -2.741 -3.172 1.00 0.00 C ATOM 159 O SER A 12 25.265 -3.902 -3.110 1.00 0.00 O ATOM 160 CB SER A 12 25.044 -0.612 -4.329 1.00 0.00 C ATOM 161 OG SER A 12 25.124 0.141 -5.527 1.00 0.00 O ATOM 0 H SER A 12 24.070 -2.388 -5.773 1.00 0.00 H new ATOM 0 HA SER A 12 26.725 -1.861 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.000 -0.729 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.541 -0.072 -3.523 1.00 0.00 H new ATOM 0 HG SER A 12 24.704 1.016 -5.392 1.00 0.00 H new ATOM 167 N PHE A 13 26.115 -2.071 -2.112 1.00 0.00 N ATOM 168 CA PHE A 13 26.152 -2.676 -0.784 1.00 0.00 C ATOM 169 C PHE A 13 24.744 -2.828 -0.215 1.00 0.00 C ATOM 170 O PHE A 13 23.755 -2.602 -0.912 1.00 0.00 O ATOM 171 CB PHE A 13 27.006 -1.827 0.161 1.00 0.00 C ATOM 172 CG PHE A 13 28.425 -1.652 -0.303 1.00 0.00 C ATOM 173 CD1 PHE A 13 29.395 -2.585 0.027 1.00 0.00 C ATOM 174 CD2 PHE A 13 28.789 -0.555 -1.066 1.00 0.00 C ATOM 175 CE1 PHE A 13 30.701 -2.428 -0.396 1.00 0.00 C ATOM 176 CE2 PHE A 13 30.093 -0.391 -1.492 1.00 0.00 C ATOM 177 CZ PHE A 13 31.051 -1.329 -1.156 1.00 0.00 C ATOM 0 H PHE A 13 26.454 -1.110 -2.147 1.00 0.00 H new ATOM 0 HA PHE A 13 26.596 -3.667 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 13 26.545 -0.845 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 13 27.010 -2.290 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 13 29.127 -3.445 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 13 28.045 0.181 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 13 31.447 -3.163 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 13 30.363 0.469 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 13 32.071 -1.203 -1.487 1.00 0.00 H new ATOM 187 N SER A 14 24.662 -3.215 1.055 1.00 0.00 N ATOM 188 CA SER A 14 23.375 -3.398 1.719 1.00 0.00 C ATOM 189 C SER A 14 22.781 -2.055 2.135 1.00 0.00 C ATOM 190 O SER A 14 23.365 -1.332 2.943 1.00 0.00 O ATOM 191 CB SER A 14 23.532 -4.302 2.943 1.00 0.00 C ATOM 192 OG SER A 14 24.041 -5.573 2.577 1.00 0.00 O ATOM 0 H SER A 14 25.472 -3.408 1.645 1.00 0.00 H new ATOM 0 HA SER A 14 22.694 -3.872 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.202 -3.832 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.568 -4.422 3.437 1.00 0.00 H new ATOM 0 HG SER A 14 24.134 -6.131 3.377 1.00 0.00 H new ATOM 198 N SER A 15 21.619 -1.729 1.579 1.00 0.00 N ATOM 199 CA SER A 15 20.947 -0.473 1.892 1.00 0.00 C ATOM 200 C SER A 15 19.448 -0.578 1.626 1.00 0.00 C ATOM 201 O SER A 15 18.641 0.056 2.306 1.00 0.00 O ATOM 202 CB SER A 15 21.543 0.666 1.064 1.00 0.00 C ATOM 203 OG SER A 15 20.917 1.901 1.368 1.00 0.00 O ATOM 0 H SER A 15 21.123 -2.317 0.909 1.00 0.00 H new ATOM 0 HA SER A 15 21.097 -0.262 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 15 22.613 0.740 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.426 0.447 0.003 1.00 0.00 H new ATOM 0 HG SER A 15 21.317 2.613 0.826 1.00 0.00 H new ATOM 209 N ALA A 16 19.084 -1.388 0.636 1.00 0.00 N ATOM 210 CA ALA A 16 17.685 -1.579 0.272 1.00 0.00 C ATOM 211 C ALA A 16 16.867 -2.096 1.452 1.00 0.00 C ATOM 212 O ALA A 16 15.646 -1.942 1.487 1.00 0.00 O ATOM 213 CB ALA A 16 17.573 -2.533 -0.909 1.00 0.00 C ATOM 0 H ALA A 16 19.742 -1.924 0.070 1.00 0.00 H new ATOM 0 HA ALA A 16 17.278 -0.609 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.523 -2.667 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.110 -2.120 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.006 -3.497 -0.641 1.00 0.00 H new ATOM 219 N SER A 17 17.547 -2.710 2.415 1.00 0.00 N ATOM 220 CA SER A 17 16.882 -3.249 3.597 1.00 0.00 C ATOM 221 C SER A 17 17.454 -2.632 4.871 1.00 0.00 C ATOM 222 O SER A 17 17.258 -3.156 5.969 1.00 0.00 O ATOM 223 CB SER A 17 17.026 -4.772 3.637 1.00 0.00 C ATOM 224 OG SER A 17 16.351 -5.320 4.757 1.00 0.00 O ATOM 0 H SER A 17 18.558 -2.847 2.401 1.00 0.00 H new ATOM 0 HA SER A 17 15.824 -2.995 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.624 -5.202 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 17 18.082 -5.039 3.678 1.00 0.00 H new ATOM 0 HG SER A 17 16.312 -4.653 5.474 1.00 0.00 H new ATOM 230 N ASP A 18 18.159 -1.514 4.718 1.00 0.00 N ATOM 231 CA ASP A 18 18.758 -0.827 5.858 1.00 0.00 C ATOM 232 C ASP A 18 18.575 0.685 5.754 1.00 0.00 C ATOM 233 O ASP A 18 17.559 1.229 6.191 1.00 0.00 O ATOM 234 CB ASP A 18 20.246 -1.172 5.967 1.00 0.00 C ATOM 235 CG ASP A 18 20.485 -2.658 6.150 1.00 0.00 C ATOM 236 OD1 ASP A 18 20.547 -3.378 5.132 1.00 0.00 O ATOM 237 OD2 ASP A 18 20.608 -3.102 7.311 1.00 0.00 O ATOM 0 H ASP A 18 18.329 -1.066 3.818 1.00 0.00 H new ATOM 0 HA ASP A 18 18.247 -1.168 6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.761 -0.832 5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.681 -0.631 6.808 1.00 0.00 H new ATOM 242 N ALA A 19 19.562 1.357 5.174 1.00 0.00 N ATOM 243 CA ALA A 19 19.521 2.809 5.018 1.00 0.00 C ATOM 244 C ALA A 19 18.449 3.243 4.022 1.00 0.00 C ATOM 245 O ALA A 19 17.561 4.029 4.356 1.00 0.00 O ATOM 246 CB ALA A 19 20.883 3.328 4.585 1.00 0.00 C ATOM 0 H ALA A 19 20.405 0.919 4.802 1.00 0.00 H new ATOM 0 HA ALA A 19 19.263 3.238 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.840 4.411 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.627 3.071 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.159 2.874 3.633 1.00 0.00 H new ATOM 252 N GLU A 20 18.540 2.730 2.797 1.00 0.00 N ATOM 253 CA GLU A 20 17.581 3.074 1.752 1.00 0.00 C ATOM 254 C GLU A 20 16.157 2.750 2.189 1.00 0.00 C ATOM 255 O GLU A 20 15.216 3.465 1.844 1.00 0.00 O ATOM 256 CB GLU A 20 17.911 2.329 0.457 1.00 0.00 C ATOM 257 CG GLU A 20 17.029 2.726 -0.717 1.00 0.00 C ATOM 258 CD GLU A 20 17.177 4.189 -1.088 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.467 5.027 -0.493 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.002 4.496 -1.974 1.00 0.00 O ATOM 0 H GLU A 20 19.266 2.076 2.505 1.00 0.00 H new ATOM 0 HA GLU A 20 17.651 4.147 1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.953 2.515 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.811 1.257 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.279 2.109 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.987 2.521 -0.470 1.00 0.00 H new ATOM 267 N PHE A 21 16.005 1.670 2.949 1.00 0.00 N ATOM 268 CA PHE A 21 14.691 1.258 3.431 1.00 0.00 C ATOM 269 C PHE A 21 14.070 2.341 4.309 1.00 0.00 C ATOM 270 O PHE A 21 12.877 2.621 4.211 1.00 0.00 O ATOM 271 CB PHE A 21 14.791 -0.055 4.212 1.00 0.00 C ATOM 272 CG PHE A 21 13.471 -0.529 4.756 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.579 -1.217 3.948 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.122 -0.283 6.074 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.364 -1.649 4.445 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.910 -0.714 6.577 1.00 0.00 C ATOM 277 CZ PHE A 21 11.029 -1.397 5.761 1.00 0.00 C ATOM 0 H PHE A 21 16.772 1.066 3.244 1.00 0.00 H new ATOM 0 HA PHE A 21 14.049 1.104 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.205 -0.825 3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.490 0.075 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.837 -1.418 2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.806 0.252 6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.677 -2.183 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.651 -0.517 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.080 -1.733 6.151 1.00 0.00 H new ATOM 287 N ASP A 22 14.884 2.948 5.166 1.00 0.00 N ATOM 288 CA ASP A 22 14.405 4.000 6.053 1.00 0.00 C ATOM 289 C ASP A 22 14.013 5.243 5.259 1.00 0.00 C ATOM 290 O ASP A 22 13.079 5.958 5.623 1.00 0.00 O ATOM 291 CB ASP A 22 15.476 4.356 7.085 1.00 0.00 C ATOM 292 CG ASP A 22 15.012 5.426 8.054 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.422 5.069 9.095 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.237 6.622 7.771 1.00 0.00 O ATOM 0 H ASP A 22 15.876 2.730 5.265 1.00 0.00 H new ATOM 0 HA ASP A 22 13.522 3.628 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.752 3.461 7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.373 4.700 6.570 1.00 0.00 H new ATOM 299 N ALA A 23 14.732 5.488 4.168 1.00 0.00 N ATOM 300 CA ALA A 23 14.468 6.644 3.318 1.00 0.00 C ATOM 301 C ALA A 23 13.099 6.548 2.655 1.00 0.00 C ATOM 302 O ALA A 23 12.277 7.459 2.771 1.00 0.00 O ATOM 303 CB ALA A 23 15.553 6.771 2.261 1.00 0.00 C ATOM 0 H ALA A 23 15.503 4.900 3.851 1.00 0.00 H new ATOM 0 HA ALA A 23 14.472 7.533 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.348 7.637 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.521 6.897 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.569 5.871 1.647 1.00 0.00 H new ATOM 309 N VAL A 24 12.862 5.441 1.956 1.00 0.00 N ATOM 310 CA VAL A 24 11.595 5.224 1.267 1.00 0.00 C ATOM 311 C VAL A 24 10.425 5.325 2.234 1.00 0.00 C ATOM 312 O VAL A 24 9.400 5.934 1.928 1.00 0.00 O ATOM 313 CB VAL A 24 11.576 3.855 0.558 1.00 0.00 C ATOM 314 CG1 VAL A 24 11.288 2.722 1.528 1.00 0.00 C ATOM 315 CG2 VAL A 24 10.580 3.855 -0.590 1.00 0.00 C ATOM 0 H VAL A 24 13.533 4.680 1.852 1.00 0.00 H new ATOM 0 HA VAL A 24 11.494 6.006 0.514 1.00 0.00 H new ATOM 0 HB VAL A 24 12.571 3.685 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.283 1.774 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.059 2.698 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.315 2.880 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.584 2.879 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.582 4.065 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.859 4.621 -1.314 1.00 0.00 H new ATOM 325 N VAL A 25 10.592 4.718 3.401 1.00 0.00 N ATOM 326 CA VAL A 25 9.560 4.742 4.433 1.00 0.00 C ATOM 327 C VAL A 25 9.153 6.176 4.749 1.00 0.00 C ATOM 328 O VAL A 25 7.967 6.480 4.879 1.00 0.00 O ATOM 329 CB VAL A 25 10.030 4.043 5.727 1.00 0.00 C ATOM 330 CG1 VAL A 25 9.070 4.323 6.876 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.166 2.546 5.502 1.00 0.00 C ATOM 0 H VAL A 25 11.433 4.202 3.659 1.00 0.00 H new ATOM 0 HA VAL A 25 8.701 4.197 4.042 1.00 0.00 H new ATOM 0 HB VAL A 25 11.007 4.446 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.423 3.820 7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.022 5.397 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.077 3.953 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.498 2.068 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.201 2.133 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.896 2.361 4.714 1.00 0.00 H new ATOM 341 N GLY A 26 10.146 7.054 4.872 1.00 0.00 N ATOM 342 CA GLY A 26 9.868 8.448 5.160 1.00 0.00 C ATOM 343 C GLY A 26 9.001 9.085 4.093 1.00 0.00 C ATOM 344 O GLY A 26 8.033 9.783 4.402 1.00 0.00 O ATOM 0 H GLY A 26 11.135 6.824 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.370 8.526 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.807 8.996 5.240 1.00 0.00 H new ATOM 348 N TYR A 27 9.346 8.839 2.832 1.00 0.00 N ATOM 349 CA TYR A 27 8.588 9.386 1.714 1.00 0.00 C ATOM 350 C TYR A 27 7.153 8.873 1.748 1.00 0.00 C ATOM 351 O TYR A 27 6.213 9.609 1.447 1.00 0.00 O ATOM 352 CB TYR A 27 9.247 9.011 0.382 1.00 0.00 C ATOM 353 CG TYR A 27 10.688 9.464 0.258 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.070 10.750 0.625 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.666 8.603 -0.226 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.384 11.164 0.512 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.982 9.010 -0.341 1.00 0.00 C ATOM 358 CZ TYR A 27 13.336 10.290 0.030 1.00 0.00 C ATOM 359 OH TYR A 27 14.646 10.699 -0.082 1.00 0.00 O ATOM 0 H TYR A 27 10.144 8.265 2.561 1.00 0.00 H new ATOM 0 HA TYR A 27 8.578 10.472 1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.205 7.929 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.669 9.446 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.328 11.437 1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.393 7.599 -0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.664 12.167 0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.729 8.329 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 27 15.189 9.964 -0.437 1.00 0.00 H new ATOM 369 N LEU A 28 6.994 7.607 2.122 1.00 0.00 N ATOM 370 CA LEU A 28 5.676 6.988 2.205 1.00 0.00 C ATOM 371 C LEU A 28 4.785 7.739 3.187 1.00 0.00 C ATOM 372 O LEU A 28 3.615 7.992 2.907 1.00 0.00 O ATOM 373 CB LEU A 28 5.802 5.523 2.633 1.00 0.00 C ATOM 374 CG LEU A 28 6.402 4.587 1.581 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.707 3.227 2.190 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.455 4.441 0.400 1.00 0.00 C ATOM 0 H LEU A 28 7.765 6.988 2.373 1.00 0.00 H new ATOM 0 HA LEU A 28 5.219 7.033 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.417 5.475 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.813 5.154 2.903 1.00 0.00 H new ATOM 0 HG LEU A 28 7.336 5.021 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.133 2.574 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.420 3.345 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.787 2.785 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.896 3.772 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.507 4.028 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.283 5.418 -0.051 1.00 0.00 H new ATOM 388 N GLU A 29 5.349 8.095 4.335 1.00 0.00 N ATOM 389 CA GLU A 29 4.606 8.820 5.362 1.00 0.00 C ATOM 390 C GLU A 29 4.128 10.171 4.840 1.00 0.00 C ATOM 391 O GLU A 29 3.008 10.596 5.128 1.00 0.00 O ATOM 392 CB GLU A 29 5.476 9.017 6.604 1.00 0.00 C ATOM 393 CG GLU A 29 5.913 7.715 7.255 1.00 0.00 C ATOM 394 CD GLU A 29 6.746 7.938 8.502 1.00 0.00 C ATOM 395 OE1 GLU A 29 6.157 8.063 9.596 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.988 7.989 8.385 1.00 0.00 O ATOM 0 H GLU A 29 6.319 7.894 4.579 1.00 0.00 H new ATOM 0 HA GLU A 29 3.731 8.227 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.361 9.591 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.924 9.611 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.031 7.128 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.488 7.130 6.538 1.00 0.00 H new ATOM 403 N ASP A 30 4.981 10.842 4.071 1.00 0.00 N ATOM 404 CA ASP A 30 4.642 12.148 3.513 1.00 0.00 C ATOM 405 C ASP A 30 3.556 12.030 2.445 1.00 0.00 C ATOM 406 O ASP A 30 2.699 12.904 2.320 1.00 0.00 O ATOM 407 CB ASP A 30 5.886 12.808 2.913 1.00 0.00 C ATOM 408 CG ASP A 30 5.593 14.182 2.342 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.627 15.165 3.113 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.330 14.275 1.125 1.00 0.00 O ATOM 0 H ASP A 30 5.910 10.504 3.820 1.00 0.00 H new ATOM 0 HA ASP A 30 4.260 12.767 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.655 12.893 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.290 12.169 2.127 1.00 0.00 H new ATOM 415 N ILE A 31 3.599 10.945 1.678 1.00 0.00 N ATOM 416 CA ILE A 31 2.625 10.720 0.616 1.00 0.00 C ATOM 417 C ILE A 31 1.265 10.321 1.183 1.00 0.00 C ATOM 418 O ILE A 31 0.226 10.733 0.670 1.00 0.00 O ATOM 419 CB ILE A 31 3.109 9.634 -0.365 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.414 10.071 -1.036 1.00 0.00 C ATOM 421 CG2 ILE A 31 2.041 9.344 -1.412 1.00 0.00 C ATOM 422 CD1 ILE A 31 5.090 8.970 -1.825 1.00 0.00 C ATOM 0 H ILE A 31 4.298 10.208 1.772 1.00 0.00 H new ATOM 0 HA ILE A 31 2.519 11.662 0.078 1.00 0.00 H new ATOM 0 HB ILE A 31 3.295 8.718 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.207 10.909 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.102 10.433 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.401 8.575 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.133 8.996 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.824 10.254 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.008 9.353 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.329 8.140 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.421 8.623 -2.612 1.00 0.00 H new ATOM 434 N ILE A 32 1.278 9.519 2.242 1.00 0.00 N ATOM 435 CA ILE A 32 0.042 9.067 2.870 1.00 0.00 C ATOM 436 C ILE A 32 -0.698 10.230 3.524 1.00 0.00 C ATOM 437 O ILE A 32 -1.924 10.320 3.448 1.00 0.00 O ATOM 438 CB ILE A 32 0.313 7.975 3.926 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.869 6.717 3.254 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.959 7.649 4.700 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.387 5.683 4.231 1.00 0.00 C ATOM 0 H ILE A 32 2.129 9.169 2.683 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.581 8.645 2.081 1.00 0.00 H new ATOM 0 HB ILE A 32 1.054 8.351 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.087 6.267 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.676 7.003 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.747 6.877 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.318 8.546 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.723 7.291 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.765 4.821 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.192 6.115 4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.578 5.368 4.890 1.00 0.00 H new ATOM 453 N MET A 33 0.052 11.120 4.165 1.00 0.00 N ATOM 454 CA MET A 33 -0.535 12.275 4.831 1.00 0.00 C ATOM 455 C MET A 33 -0.724 13.429 3.850 1.00 0.00 C ATOM 456 O MET A 33 -1.072 14.542 4.246 1.00 0.00 O ATOM 457 CB MET A 33 0.347 12.722 5.998 1.00 0.00 C ATOM 458 CG MET A 33 0.516 11.662 7.075 1.00 0.00 C ATOM 459 SD MET A 33 -1.054 11.145 7.796 1.00 0.00 S ATOM 460 CE MET A 33 -0.494 9.962 9.020 1.00 0.00 C ATOM 0 H MET A 33 1.068 11.063 4.237 1.00 0.00 H new ATOM 0 HA MET A 33 -1.512 11.983 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.329 12.998 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.084 13.617 6.446 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.019 10.794 6.649 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.162 12.050 7.862 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.354 9.553 9.551 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.045 9.154 8.525 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.168 10.458 9.729 1.00 0.00 H new ATOM 470 N ASP A 34 -0.496 13.155 2.569 1.00 0.00 N ATOM 471 CA ASP A 34 -0.641 14.171 1.532 1.00 0.00 C ATOM 472 C ASP A 34 -2.112 14.389 1.189 1.00 0.00 C ATOM 473 O ASP A 34 -2.885 13.437 1.089 1.00 0.00 O ATOM 474 CB ASP A 34 0.141 13.767 0.281 1.00 0.00 C ATOM 475 CG ASP A 34 0.192 14.876 -0.752 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.902 15.876 -0.514 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.478 14.745 -1.797 1.00 0.00 O ATOM 0 H ASP A 34 -0.210 12.238 2.224 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.236 15.109 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.157 13.491 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.318 12.883 -0.161 1.00 0.00 H new ATOM 482 N ASP A 35 -2.489 15.652 1.008 1.00 0.00 N ATOM 483 CA ASP A 35 -3.869 16.007 0.688 1.00 0.00 C ATOM 484 C ASP A 35 -4.346 15.322 -0.591 1.00 0.00 C ATOM 485 O ASP A 35 -5.475 14.836 -0.657 1.00 0.00 O ATOM 486 CB ASP A 35 -4.005 17.523 0.544 1.00 0.00 C ATOM 487 CG ASP A 35 -3.651 18.259 1.822 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.445 18.436 2.091 1.00 0.00 O ATOM 489 OD2 ASP A 35 -4.582 18.656 2.556 1.00 0.00 O ATOM 0 H ASP A 35 -1.856 16.449 1.078 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.496 15.661 1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.358 17.868 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.028 17.768 0.258 1.00 0.00 H new ATOM 494 N GLU A 36 -3.485 15.287 -1.605 1.00 0.00 N ATOM 495 CA GLU A 36 -3.834 14.667 -2.881 1.00 0.00 C ATOM 496 C GLU A 36 -4.110 13.175 -2.714 1.00 0.00 C ATOM 497 O GLU A 36 -4.914 12.600 -3.446 1.00 0.00 O ATOM 498 CB GLU A 36 -2.714 14.877 -3.901 1.00 0.00 C ATOM 499 CG GLU A 36 -3.044 14.343 -5.286 1.00 0.00 C ATOM 500 CD GLU A 36 -1.938 14.601 -6.291 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.040 13.742 -6.417 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.972 15.661 -6.951 1.00 0.00 O ATOM 0 H GLU A 36 -2.544 15.679 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.743 15.145 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.496 15.942 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.808 14.390 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.229 13.271 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.966 14.805 -5.639 1.00 0.00 H new ATOM 509 N PHE A 37 -3.442 12.553 -1.748 1.00 0.00 N ATOM 510 CA PHE A 37 -3.621 11.128 -1.497 1.00 0.00 C ATOM 511 C PHE A 37 -4.926 10.866 -0.755 1.00 0.00 C ATOM 512 O PHE A 37 -5.640 9.909 -1.053 1.00 0.00 O ATOM 513 CB PHE A 37 -2.441 10.572 -0.695 1.00 0.00 C ATOM 514 CG PHE A 37 -2.577 9.112 -0.361 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.300 8.140 -1.309 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.986 8.712 0.902 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.427 6.797 -1.004 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.116 7.372 1.212 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.836 6.414 0.257 1.00 0.00 C ATOM 0 H PHE A 37 -2.774 13.012 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.664 10.620 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.523 10.723 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.341 11.140 0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.981 8.435 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.206 9.457 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.206 6.049 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.436 7.074 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.937 5.366 0.497 1.00 0.00 H new ATOM 529 N GLN A 38 -5.231 11.721 0.215 1.00 0.00 N ATOM 530 CA GLN A 38 -6.451 11.578 1.002 1.00 0.00 C ATOM 531 C GLN A 38 -7.685 11.864 0.151 1.00 0.00 C ATOM 532 O GLN A 38 -8.728 11.237 0.327 1.00 0.00 O ATOM 533 CB GLN A 38 -6.416 12.516 2.209 1.00 0.00 C ATOM 534 CG GLN A 38 -5.337 12.163 3.221 1.00 0.00 C ATOM 535 CD GLN A 38 -5.280 13.140 4.379 1.00 0.00 C ATOM 536 OE1 GLN A 38 -5.968 12.970 5.385 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.451 14.169 4.243 1.00 0.00 N ATOM 0 H GLN A 38 -4.652 12.519 0.475 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.509 10.548 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.257 13.537 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.387 12.495 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.520 11.160 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.369 12.141 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.899 14.270 3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.366 14.858 4.991 1.00 0.00 H new ATOM 546 N LEU A 39 -7.559 12.814 -0.771 1.00 0.00 N ATOM 547 CA LEU A 39 -8.664 13.180 -1.650 1.00 0.00 C ATOM 548 C LEU A 39 -8.974 12.062 -2.640 1.00 0.00 C ATOM 549 O LEU A 39 -10.130 11.687 -2.828 1.00 0.00 O ATOM 550 CB LEU A 39 -8.338 14.469 -2.410 1.00 0.00 C ATOM 551 CG LEU A 39 -9.378 14.890 -3.451 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.697 15.240 -2.780 1.00 0.00 C ATOM 553 CD2 LEU A 39 -8.866 16.064 -4.270 1.00 0.00 C ATOM 0 H LEU A 39 -6.702 13.344 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.544 13.343 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.221 15.278 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.377 14.345 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.550 14.050 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.423 15.537 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.072 14.371 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.543 16.063 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.618 16.350 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.664 16.908 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.948 15.777 -4.783 1.00 0.00 H new ATOM 565 N LEU A 40 -7.930 11.535 -3.270 1.00 0.00 N ATOM 566 CA LEU A 40 -8.083 10.467 -4.251 1.00 0.00 C ATOM 567 C LEU A 40 -8.583 9.180 -3.601 1.00 0.00 C ATOM 568 O LEU A 40 -9.575 8.599 -4.039 1.00 0.00 O ATOM 569 CB LEU A 40 -6.752 10.223 -4.969 1.00 0.00 C ATOM 570 CG LEU A 40 -6.739 9.050 -5.953 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.873 9.377 -7.160 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.237 7.786 -5.270 1.00 0.00 C ATOM 0 H LEU A 40 -6.966 11.831 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.831 10.780 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.479 11.130 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.980 10.053 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.760 8.877 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.875 8.532 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.270 10.258 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.852 9.575 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.235 6.963 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.224 7.949 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.892 7.539 -4.434 1.00 0.00 H new ATOM 584 N GLN A 41 -7.895 8.741 -2.552 1.00 0.00 N ATOM 585 CA GLN A 41 -8.264 7.515 -1.851 1.00 0.00 C ATOM 586 C GLN A 41 -9.707 7.569 -1.352 1.00 0.00 C ATOM 587 O GLN A 41 -10.506 6.681 -1.648 1.00 0.00 O ATOM 588 CB GLN A 41 -7.318 7.271 -0.674 1.00 0.00 C ATOM 589 CG GLN A 41 -7.598 5.977 0.074 1.00 0.00 C ATOM 590 CD GLN A 41 -6.633 5.744 1.219 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.134 6.690 1.829 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.365 4.479 1.517 1.00 0.00 N ATOM 0 H GLN A 41 -7.078 9.216 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.180 6.691 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.292 7.254 -1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.394 8.107 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.617 5.999 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.539 5.140 -0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.801 3.726 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.723 4.259 2.278 1.00 0.00 H new ATOM 601 N ARG A 42 -10.034 8.615 -0.601 1.00 0.00 N ATOM 602 CA ARG A 42 -11.379 8.776 -0.055 1.00 0.00 C ATOM 603 C ARG A 42 -12.425 8.829 -1.166 1.00 0.00 C ATOM 604 O ARG A 42 -13.509 8.260 -1.035 1.00 0.00 O ATOM 605 CB ARG A 42 -11.457 10.046 0.794 1.00 0.00 C ATOM 606 CG ARG A 42 -12.798 10.237 1.485 1.00 0.00 C ATOM 607 CD ARG A 42 -12.828 11.527 2.289 1.00 0.00 C ATOM 608 NE ARG A 42 -12.648 12.704 1.441 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.681 13.952 1.895 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.883 14.190 3.185 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.510 14.968 1.060 1.00 0.00 N ATOM 0 H ARG A 42 -9.387 9.365 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.591 7.910 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.670 10.017 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.259 10.910 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.594 10.252 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.993 9.391 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.778 11.603 2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.043 11.501 3.045 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.488 12.559 0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.014 13.413 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.907 15.150 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.353 14.792 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.536 15.926 1.410 1.00 0.00 H new ATOM 625 N ASN A 43 -12.090 9.512 -2.256 1.00 0.00 N ATOM 626 CA ASN A 43 -13.001 9.649 -3.389 1.00 0.00 C ATOM 627 C ASN A 43 -13.492 8.290 -3.882 1.00 0.00 C ATOM 628 O ASN A 43 -14.689 8.097 -4.098 1.00 0.00 O ATOM 629 CB ASN A 43 -12.310 10.395 -4.531 1.00 0.00 C ATOM 630 CG ASN A 43 -13.246 10.669 -5.692 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.354 9.868 -6.620 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.926 11.809 -5.646 1.00 0.00 N ATOM 0 H ASN A 43 -11.192 9.981 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.867 10.219 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.913 11.339 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.461 9.809 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.569 12.050 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.805 12.444 -4.857 1.00 0.00 H new ATOM 639 N PHE A 44 -12.567 7.353 -4.055 1.00 0.00 N ATOM 640 CA PHE A 44 -12.915 6.018 -4.529 1.00 0.00 C ATOM 641 C PHE A 44 -13.538 5.175 -3.421 1.00 0.00 C ATOM 642 O PHE A 44 -14.432 4.370 -3.676 1.00 0.00 O ATOM 643 CB PHE A 44 -11.683 5.312 -5.097 1.00 0.00 C ATOM 644 CG PHE A 44 -11.260 5.833 -6.441 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.851 5.357 -7.600 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.274 6.801 -6.546 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.468 5.835 -8.839 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.886 7.283 -7.782 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.484 6.800 -8.929 1.00 0.00 C ATOM 0 H PHE A 44 -11.573 7.492 -3.875 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.655 6.133 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.855 5.423 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.891 4.245 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.621 4.603 -7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.803 7.183 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.937 5.455 -9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.116 8.037 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.183 7.176 -9.895 1.00 0.00 H new ATOM 659 N MET A 45 -13.064 5.359 -2.192 1.00 0.00 N ATOM 660 CA MET A 45 -13.582 4.604 -1.054 1.00 0.00 C ATOM 661 C MET A 45 -15.093 4.777 -0.916 1.00 0.00 C ATOM 662 O MET A 45 -15.788 3.874 -0.451 1.00 0.00 O ATOM 663 CB MET A 45 -12.886 5.041 0.236 1.00 0.00 C ATOM 664 CG MET A 45 -11.451 4.547 0.353 1.00 0.00 C ATOM 665 SD MET A 45 -11.344 2.757 0.539 1.00 0.00 S ATOM 666 CE MET A 45 -12.205 2.520 2.092 1.00 0.00 C ATOM 0 H MET A 45 -12.325 6.022 -1.958 1.00 0.00 H new ATOM 0 HA MET A 45 -13.375 3.549 -1.232 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.892 6.130 0.291 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.458 4.675 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.893 4.850 -0.533 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.975 5.026 1.208 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.887 1.581 2.545 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.973 3.345 2.766 1.00 0.00 H new ATOM 0 HE3 MET A 45 -13.280 2.490 1.911 1.00 0.00 H new ATOM 676 N ASP A 46 -15.594 5.939 -1.324 1.00 0.00 N ATOM 677 CA ASP A 46 -17.023 6.232 -1.245 1.00 0.00 C ATOM 678 C ASP A 46 -17.840 5.292 -2.129 1.00 0.00 C ATOM 679 O ASP A 46 -18.989 4.979 -1.819 1.00 0.00 O ATOM 680 CB ASP A 46 -17.293 7.686 -1.645 1.00 0.00 C ATOM 681 CG ASP A 46 -16.736 8.677 -0.642 1.00 0.00 C ATOM 682 OD1 ASP A 46 -17.209 8.682 0.514 1.00 0.00 O ATOM 683 OD2 ASP A 46 -15.832 9.453 -1.014 1.00 0.00 O ATOM 0 H ASP A 46 -15.031 6.695 -1.714 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.332 6.078 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.853 7.878 -2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.368 7.839 -1.743 1.00 0.00 H new ATOM 688 N LYS A 47 -17.247 4.849 -3.234 1.00 0.00 N ATOM 689 CA LYS A 47 -17.933 3.954 -4.163 1.00 0.00 C ATOM 690 C LYS A 47 -17.616 2.488 -3.873 1.00 0.00 C ATOM 691 O LYS A 47 -18.504 1.636 -3.892 1.00 0.00 O ATOM 692 CB LYS A 47 -17.543 4.293 -5.603 1.00 0.00 C ATOM 693 CG LYS A 47 -17.926 5.703 -6.027 1.00 0.00 C ATOM 694 CD LYS A 47 -19.433 5.901 -6.027 1.00 0.00 C ATOM 695 CE LYS A 47 -19.813 7.287 -6.522 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.330 7.533 -7.910 1.00 0.00 N ATOM 0 H LYS A 47 -16.296 5.094 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.005 4.098 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.466 4.169 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.018 3.579 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.464 6.424 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.533 5.903 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.900 5.147 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.820 5.755 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.897 7.400 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.394 8.039 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.838 8.345 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.310 7.737 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.504 6.689 -8.493 1.00 0.00 H new ATOM 710 N TYR A 48 -16.346 2.200 -3.613 1.00 0.00 N ATOM 711 CA TYR A 48 -15.905 0.836 -3.328 1.00 0.00 C ATOM 712 C TYR A 48 -16.665 0.229 -2.149 1.00 0.00 C ATOM 713 O TYR A 48 -17.211 -0.870 -2.255 1.00 0.00 O ATOM 714 CB TYR A 48 -14.404 0.815 -3.038 1.00 0.00 C ATOM 715 CG TYR A 48 -13.536 0.798 -4.277 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.607 1.818 -5.219 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.638 -0.239 -4.502 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.810 1.805 -6.348 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.837 -0.259 -5.628 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.927 0.763 -6.547 1.00 0.00 C ATOM 721 OH TYR A 48 -11.130 0.746 -7.669 1.00 0.00 O ATOM 0 H TYR A 48 -15.599 2.895 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.116 0.234 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.148 1.690 -2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.174 -0.063 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.297 2.635 -5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.565 -1.043 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.878 2.605 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.144 -1.072 -5.787 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.232 1.064 -7.437 1.00 0.00 H new ATOM 731 N TYR A 49 -16.697 0.946 -1.029 1.00 0.00 N ATOM 732 CA TYR A 49 -17.377 0.461 0.171 1.00 0.00 C ATOM 733 C TYR A 49 -18.862 0.198 -0.089 1.00 0.00 C ATOM 734 O TYR A 49 -19.519 -0.497 0.686 1.00 0.00 O ATOM 735 CB TYR A 49 -17.193 1.455 1.327 1.00 0.00 C ATOM 736 CG TYR A 49 -18.389 2.346 1.593 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.608 3.495 0.845 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.297 2.036 2.599 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.694 4.312 1.093 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.387 2.846 2.852 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.581 3.982 2.096 1.00 0.00 C ATOM 742 OH TYR A 49 -21.664 4.793 2.346 1.00 0.00 O ATOM 0 H TYR A 49 -16.262 1.863 -0.926 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.923 -0.490 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.964 0.897 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.329 2.084 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.918 3.754 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.148 1.146 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.848 5.204 0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.083 2.591 3.637 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.190 4.418 3.083 1.00 0.00 H new ATOM 752 N LEU A 50 -19.385 0.756 -1.178 1.00 0.00 N ATOM 753 CA LEU A 50 -20.791 0.567 -1.527 1.00 0.00 C ATOM 754 C LEU A 50 -21.005 -0.772 -2.226 1.00 0.00 C ATOM 755 O LEU A 50 -21.896 -1.538 -1.860 1.00 0.00 O ATOM 756 CB LEU A 50 -21.281 1.705 -2.427 1.00 0.00 C ATOM 757 CG LEU A 50 -21.438 3.062 -1.737 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.816 4.132 -2.750 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.482 2.982 -0.633 1.00 0.00 C ATOM 0 H LEU A 50 -18.861 1.339 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.367 0.573 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.583 1.816 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.242 1.420 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.483 3.333 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.924 5.091 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.036 4.208 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.759 3.865 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.580 3.956 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.441 2.689 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.174 2.243 0.107 1.00 0.00 H new ATOM 771 N GLU A 51 -20.184 -1.045 -3.234 1.00 0.00 N ATOM 772 CA GLU A 51 -20.285 -2.290 -3.988 1.00 0.00 C ATOM 773 C GLU A 51 -20.060 -3.498 -3.084 1.00 0.00 C ATOM 774 O GLU A 51 -20.753 -4.508 -3.199 1.00 0.00 O ATOM 775 CB GLU A 51 -19.273 -2.299 -5.135 1.00 0.00 C ATOM 776 CG GLU A 51 -19.414 -1.115 -6.081 1.00 0.00 C ATOM 777 CD GLU A 51 -20.785 -1.041 -6.723 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.991 -1.701 -7.763 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.653 -0.320 -6.187 1.00 0.00 O ATOM 0 H GLU A 51 -19.441 -0.421 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.292 -2.354 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.265 -2.303 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.388 -3.223 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.223 -0.192 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.655 -1.185 -6.860 1.00 0.00 H new ATOM 786 N PHE A 52 -19.089 -3.388 -2.181 1.00 0.00 N ATOM 787 CA PHE A 52 -18.777 -4.476 -1.261 1.00 0.00 C ATOM 788 C PHE A 52 -19.853 -4.613 -0.191 1.00 0.00 C ATOM 789 O PHE A 52 -19.775 -3.991 0.869 1.00 0.00 O ATOM 790 CB PHE A 52 -17.411 -4.255 -0.610 1.00 0.00 C ATOM 791 CG PHE A 52 -16.258 -4.634 -1.495 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.858 -3.803 -2.529 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.574 -5.823 -1.292 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.798 -4.152 -3.346 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.514 -6.176 -2.106 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.126 -5.340 -3.134 1.00 0.00 C ATOM 0 H PHE A 52 -18.507 -2.558 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.746 -5.402 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.315 -3.206 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.358 -4.835 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.380 -2.873 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.873 -6.481 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.496 -3.496 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.990 -7.105 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.298 -5.614 -3.771 1.00 0.00 H new ATOM 806 N GLU A 53 -20.861 -5.428 -0.483 1.00 0.00 N ATOM 807 CA GLU A 53 -21.957 -5.658 0.451 1.00 0.00 C ATOM 808 C GLU A 53 -21.796 -7.009 1.139 1.00 0.00 C ATOM 809 O GLU A 53 -21.307 -7.966 0.537 1.00 0.00 O ATOM 810 CB GLU A 53 -23.299 -5.600 -0.279 1.00 0.00 C ATOM 811 CG GLU A 53 -23.552 -4.279 -0.988 1.00 0.00 C ATOM 812 CD GLU A 53 -24.868 -4.263 -1.739 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.907 -3.961 -1.112 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.862 -4.551 -2.954 1.00 0.00 O ATOM 0 H GLU A 53 -20.942 -5.941 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.934 -4.874 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.341 -6.408 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.101 -5.777 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.546 -3.471 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.738 -4.084 -1.686 1.00 0.00 H new ATOM 821 N ASP A 54 -22.207 -7.081 2.401 1.00 0.00 N ATOM 822 CA ASP A 54 -22.106 -8.320 3.167 1.00 0.00 C ATOM 823 C ASP A 54 -22.923 -9.431 2.512 1.00 0.00 C ATOM 824 O ASP A 54 -24.122 -9.562 2.760 1.00 0.00 O ATOM 825 CB ASP A 54 -22.581 -8.099 4.603 1.00 0.00 C ATOM 826 CG ASP A 54 -22.411 -9.334 5.465 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.334 -10.176 5.487 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.352 -9.462 6.118 1.00 0.00 O ATOM 0 H ASP A 54 -22.612 -6.299 2.915 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.059 -8.624 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.024 -7.272 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.631 -7.807 4.594 1.00 0.00 H new ATOM 833 N THR A 55 -22.267 -10.223 1.669 1.00 0.00 N ATOM 834 CA THR A 55 -22.929 -11.322 0.976 1.00 0.00 C ATOM 835 C THR A 55 -22.036 -12.556 0.919 1.00 0.00 C ATOM 836 O THR A 55 -20.811 -12.451 0.967 1.00 0.00 O ATOM 837 CB THR A 55 -23.325 -10.923 -0.459 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.178 -10.443 -1.168 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.407 -9.852 -0.446 1.00 0.00 C ATOM 0 H THR A 55 -21.276 -10.123 1.449 1.00 0.00 H new ATOM 0 HA THR A 55 -23.830 -11.556 1.544 1.00 0.00 H new ATOM 0 HB THR A 55 -23.719 -11.806 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.867 -9.608 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.669 -9.587 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.290 -10.233 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.038 -8.968 0.074 1.00 0.00 H new ATOM 847 N GLU A 56 -22.659 -13.727 0.818 1.00 0.00 N ATOM 848 CA GLU A 56 -21.921 -14.984 0.752 1.00 0.00 C ATOM 849 C GLU A 56 -21.775 -15.454 -0.691 1.00 0.00 C ATOM 850 O GLU A 56 -20.879 -16.235 -1.011 1.00 0.00 O ATOM 851 CB GLU A 56 -22.626 -16.061 1.581 1.00 0.00 C ATOM 852 CG GLU A 56 -22.794 -15.693 3.048 1.00 0.00 C ATOM 853 CD GLU A 56 -21.470 -15.450 3.746 1.00 0.00 C ATOM 854 OE1 GLU A 56 -20.984 -14.300 3.714 1.00 0.00 O ATOM 855 OE2 GLU A 56 -20.920 -16.410 4.328 1.00 0.00 O ATOM 0 H GLU A 56 -23.673 -13.831 0.780 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.926 -14.812 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.608 -16.254 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.059 -16.989 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.410 -14.797 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.329 -16.493 3.560 1.00 0.00 H new ATOM 862 N GLU A 57 -22.661 -14.974 -1.559 1.00 0.00 N ATOM 863 CA GLU A 57 -22.629 -15.347 -2.969 1.00 0.00 C ATOM 864 C GLU A 57 -21.473 -14.659 -3.690 1.00 0.00 C ATOM 865 O GLU A 57 -21.151 -13.505 -3.407 1.00 0.00 O ATOM 866 CB GLU A 57 -23.953 -14.989 -3.646 1.00 0.00 C ATOM 867 CG GLU A 57 -25.148 -15.740 -3.083 1.00 0.00 C ATOM 868 CD GLU A 57 -26.445 -15.387 -3.786 1.00 0.00 C ATOM 869 OE1 GLU A 57 -27.088 -14.396 -3.382 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.815 -16.100 -4.743 1.00 0.00 O ATOM 0 H GLU A 57 -23.409 -14.327 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.480 -16.425 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.126 -13.918 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.874 -15.197 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.972 -16.812 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.244 -15.518 -2.020 1.00 0.00 H new ATOM 877 N ASN A 58 -20.856 -15.376 -4.623 1.00 0.00 N ATOM 878 CA ASN A 58 -19.734 -14.838 -5.383 1.00 0.00 C ATOM 879 C ASN A 58 -20.220 -14.102 -6.630 1.00 0.00 C ATOM 880 O ASN A 58 -21.061 -14.609 -7.373 1.00 0.00 O ATOM 881 CB ASN A 58 -18.781 -15.966 -5.784 1.00 0.00 C ATOM 882 CG ASN A 58 -18.344 -16.802 -4.597 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.992 -17.789 -4.246 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.240 -16.414 -3.972 1.00 0.00 N ATOM 0 H ASN A 58 -21.114 -16.331 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.205 -14.127 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.270 -16.608 -6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.902 -15.541 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.898 -16.940 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.733 -15.590 -4.296 1.00 0.00 H new ATOM 891 N LYS A 59 -19.686 -12.904 -6.851 1.00 0.00 N ATOM 892 CA LYS A 59 -20.063 -12.099 -8.010 1.00 0.00 C ATOM 893 C LYS A 59 -18.860 -11.860 -8.918 1.00 0.00 C ATOM 894 O LYS A 59 -17.718 -11.835 -8.459 1.00 0.00 O ATOM 895 CB LYS A 59 -20.654 -10.761 -7.559 1.00 0.00 C ATOM 896 CG LYS A 59 -21.935 -10.901 -6.753 1.00 0.00 C ATOM 897 CD LYS A 59 -22.520 -9.545 -6.395 1.00 0.00 C ATOM 898 CE LYS A 59 -23.833 -9.685 -5.642 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.660 -10.410 -4.354 1.00 0.00 N ATOM 0 H LYS A 59 -18.991 -12.469 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.818 -12.647 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.914 -10.230 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.853 -10.147 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.665 -11.474 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.733 -11.463 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.807 -8.990 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.681 -8.966 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.248 -8.696 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.553 -10.217 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.534 -10.338 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.452 -11.411 -4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.873 -9.988 -3.821 1.00 0.00 H new ATOM 913 N LEU A 60 -19.125 -11.688 -10.210 1.00 0.00 N ATOM 914 CA LEU A 60 -18.066 -11.455 -11.187 1.00 0.00 C ATOM 915 C LEU A 60 -17.613 -9.997 -11.177 1.00 0.00 C ATOM 916 O LEU A 60 -16.611 -9.645 -11.800 1.00 0.00 O ATOM 917 CB LEU A 60 -18.547 -11.835 -12.591 1.00 0.00 C ATOM 918 CG LEU A 60 -18.892 -13.314 -12.785 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.584 -13.527 -14.123 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.638 -14.172 -12.692 1.00 0.00 C ATOM 0 H LEU A 60 -20.065 -11.706 -10.605 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.217 -12.081 -10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.428 -11.239 -12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.773 -11.562 -13.309 1.00 0.00 H new ATOM 0 HG LEU A 60 -19.575 -13.615 -11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.822 -14.584 -14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.503 -12.942 -14.155 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.923 -13.209 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.903 -15.220 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.932 -13.869 -13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.180 -14.042 -11.712 1.00 0.00 H new ATOM 932 N ILE A 61 -18.353 -9.154 -10.463 1.00 0.00 N ATOM 933 CA ILE A 61 -18.033 -7.732 -10.382 1.00 0.00 C ATOM 934 C ILE A 61 -16.776 -7.488 -9.548 1.00 0.00 C ATOM 935 O ILE A 61 -16.157 -6.425 -9.630 1.00 0.00 O ATOM 936 CB ILE A 61 -19.212 -6.931 -9.786 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.978 -5.426 -9.942 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.416 -7.293 -8.322 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.969 -4.958 -11.381 1.00 0.00 C ATOM 0 H ILE A 61 -19.179 -9.431 -9.932 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.847 -7.388 -11.400 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.117 -7.193 -10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.755 -4.888 -9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.027 -5.165 -9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.250 -6.719 -7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.633 -8.358 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.511 -7.061 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.798 -3.882 -11.413 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.174 -5.468 -11.924 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.929 -5.187 -11.844 1.00 0.00 H new ATOM 951 N TYR A 62 -16.396 -8.484 -8.755 1.00 0.00 N ATOM 952 CA TYR A 62 -15.214 -8.374 -7.908 1.00 0.00 C ATOM 953 C TYR A 62 -13.932 -8.417 -8.735 1.00 0.00 C ATOM 954 O TYR A 62 -12.873 -7.995 -8.270 1.00 0.00 O ATOM 955 CB TYR A 62 -15.197 -9.493 -6.866 1.00 0.00 C ATOM 956 CG TYR A 62 -16.215 -9.312 -5.762 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.893 -8.615 -4.604 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.493 -9.840 -5.875 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.818 -8.448 -3.591 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.425 -9.678 -4.867 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.082 -8.981 -3.727 1.00 0.00 C ATOM 962 OH TYR A 62 -19.007 -8.817 -2.721 1.00 0.00 O ATOM 0 H TYR A 62 -16.888 -9.374 -8.681 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.261 -7.411 -7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.381 -10.445 -7.365 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.202 -9.551 -6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.903 -8.197 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.764 -10.387 -6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.552 -7.903 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.416 -10.095 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.847 -9.252 -2.975 1.00 0.00 H new ATOM 972 N THR A 63 -14.030 -8.923 -9.962 1.00 0.00 N ATOM 973 CA THR A 63 -12.866 -9.017 -10.837 1.00 0.00 C ATOM 974 C THR A 63 -12.460 -7.643 -11.385 1.00 0.00 C ATOM 975 O THR A 63 -11.300 -7.253 -11.263 1.00 0.00 O ATOM 976 CB THR A 63 -13.111 -9.992 -12.010 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.522 -11.268 -11.507 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.851 -10.157 -12.848 1.00 0.00 C ATOM 0 H THR A 63 -14.897 -9.272 -10.370 1.00 0.00 H new ATOM 0 HA THR A 63 -12.050 -9.405 -10.227 1.00 0.00 H new ATOM 0 HB THR A 63 -13.898 -9.577 -12.640 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.677 -11.880 -12.256 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.047 -10.848 -13.668 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.553 -9.189 -13.252 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.049 -10.552 -12.225 1.00 0.00 H new ATOM 986 N PRO A 64 -13.399 -6.884 -11.993 1.00 0.00 N ATOM 987 CA PRO A 64 -13.096 -5.555 -12.536 1.00 0.00 C ATOM 988 C PRO A 64 -12.749 -4.548 -11.444 1.00 0.00 C ATOM 989 O PRO A 64 -11.828 -3.746 -11.599 1.00 0.00 O ATOM 990 CB PRO A 64 -14.388 -5.146 -13.249 1.00 0.00 C ATOM 991 CG PRO A 64 -15.453 -5.950 -12.590 1.00 0.00 C ATOM 992 CD PRO A 64 -14.809 -7.254 -12.218 1.00 0.00 C ATOM 0 HA PRO A 64 -12.226 -5.578 -13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.577 -4.078 -13.145 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.335 -5.358 -14.317 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.840 -5.439 -11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.296 -6.108 -13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.260 -7.684 -11.324 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.909 -7.993 -13.013 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.493 -4.591 -10.339 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.256 -3.677 -9.226 1.00 0.00 C ATOM 1002 C ILE A 65 -11.866 -3.883 -8.629 1.00 0.00 C ATOM 1003 O ILE A 65 -11.160 -2.919 -8.333 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.314 -3.848 -8.117 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.709 -3.531 -8.662 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.989 -2.954 -6.927 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.823 -3.789 -7.668 1.00 0.00 C ATOM 0 H ILE A 65 -14.261 -5.246 -10.192 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.328 -2.667 -9.629 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.300 -4.885 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.741 -2.485 -8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.885 -4.130 -9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.746 -3.088 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.011 -3.222 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.977 -1.912 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.782 -3.542 -8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.818 -4.840 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.672 -3.170 -6.783 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.481 -5.143 -8.454 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.175 -5.470 -7.889 1.00 0.00 C ATOM 1021 C PHE A 66 -9.049 -4.928 -8.766 1.00 0.00 C ATOM 1022 O PHE A 66 -8.103 -4.319 -8.268 1.00 0.00 O ATOM 1023 CB PHE A 66 -10.029 -6.985 -7.729 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.768 -7.395 -7.023 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.653 -7.257 -5.649 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.697 -7.917 -7.732 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.493 -7.632 -4.995 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.536 -8.294 -7.084 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.434 -8.151 -5.714 1.00 0.00 C ATOM 0 H PHE A 66 -12.052 -5.953 -8.694 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.105 -5.000 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.887 -7.368 -7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.052 -7.450 -8.714 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.478 -6.852 -5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.771 -8.030 -8.803 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.416 -7.519 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.709 -8.700 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.527 -8.445 -5.206 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.160 -5.153 -10.072 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.149 -4.688 -11.016 1.00 0.00 C ATOM 1041 C ASN A 67 -8.085 -3.162 -11.038 1.00 0.00 C ATOM 1042 O ASN A 67 -7.024 -2.580 -11.263 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.452 -5.213 -12.422 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.672 -6.715 -12.454 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -9.436 -7.222 -13.276 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.005 -7.437 -11.561 1.00 0.00 N ATOM 0 H ASN A 67 -9.939 -5.654 -10.500 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.182 -5.072 -10.691 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.340 -4.712 -12.809 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.627 -4.957 -13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.116 -8.451 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.382 -6.978 -10.897 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.228 -2.524 -10.803 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.308 -1.066 -10.797 1.00 0.00 C ATOM 1055 C GLU A 68 -8.552 -0.478 -9.609 1.00 0.00 C ATOM 1056 O GLU A 68 -7.928 0.577 -9.719 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.770 -0.619 -10.755 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.949 0.891 -10.735 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.408 1.305 -10.720 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.988 1.394 -9.618 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.969 1.541 -11.811 1.00 0.00 O ATOM 0 H GLU A 68 -10.113 -2.994 -10.614 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.845 -0.699 -11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.290 -1.026 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.245 -1.044 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.450 1.301 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.462 1.323 -11.609 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.613 -1.167 -8.475 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.941 -0.712 -7.263 1.00 0.00 C ATOM 1070 C TYR A 69 -6.424 -0.819 -7.400 1.00 0.00 C ATOM 1071 O TYR A 69 -5.688 0.078 -6.991 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.414 -1.533 -6.062 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.857 -1.057 -4.739 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.434 0.012 -4.066 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.755 -1.677 -4.164 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.929 0.449 -2.856 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.244 -1.246 -2.955 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.834 -0.183 -2.305 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.328 0.249 -1.099 1.00 0.00 O ATOM 0 H TYR A 69 -9.122 -2.045 -8.369 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.196 0.336 -7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.503 -1.502 -6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.130 -2.575 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.291 0.510 -4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.290 -2.510 -4.670 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.390 1.281 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.387 -1.739 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.809 -0.472 -0.685 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.968 -1.924 -7.980 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.543 -2.160 -8.169 1.00 0.00 C ATOM 1091 C ILE A 70 -3.972 -1.265 -9.267 1.00 0.00 C ATOM 1092 O ILE A 70 -2.795 -0.905 -9.242 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.267 -3.635 -8.522 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.927 -4.561 -7.493 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.769 -3.895 -8.604 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.375 -4.409 -6.089 1.00 0.00 C ATOM 0 H ILE A 70 -6.568 -2.672 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.053 -1.919 -7.226 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.700 -3.846 -9.500 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.999 -4.363 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.799 -5.595 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.595 -4.941 -8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.331 -3.260 -9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.307 -3.670 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.891 -5.096 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.309 -4.636 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.528 -3.385 -5.747 1.00 0.00 H new ATOM 1108 N SER A 71 -4.807 -0.910 -10.235 1.00 0.00 N ATOM 1109 CA SER A 71 -4.373 -0.060 -11.336 1.00 0.00 C ATOM 1110 C SER A 71 -4.424 1.416 -10.949 1.00 0.00 C ATOM 1111 O SER A 71 -3.639 2.222 -11.445 1.00 0.00 O ATOM 1112 CB SER A 71 -5.246 -0.306 -12.569 1.00 0.00 C ATOM 1113 OG SER A 71 -4.841 0.515 -13.652 1.00 0.00 O ATOM 0 H SER A 71 -5.785 -1.196 -10.280 1.00 0.00 H new ATOM 0 HA SER A 71 -3.339 -0.315 -11.569 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.183 -1.355 -12.860 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.289 -0.105 -12.326 1.00 0.00 H new ATOM 0 HG SER A 71 -5.413 0.338 -14.428 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.362 1.766 -10.076 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.516 3.151 -9.636 1.00 0.00 C ATOM 1121 C LEU A 72 -4.683 3.459 -8.389 1.00 0.00 C ATOM 1122 O LEU A 72 -3.766 4.281 -8.430 1.00 0.00 O ATOM 1123 CB LEU A 72 -7.001 3.444 -9.370 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.366 4.903 -9.050 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.095 5.222 -7.587 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.611 5.867 -9.954 1.00 0.00 C ATOM 0 H LEU A 72 -6.026 1.114 -9.659 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.148 3.797 -10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.572 3.134 -10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.328 2.820 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.433 5.027 -9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.361 6.260 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.692 4.565 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.037 5.070 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.888 6.891 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.538 5.736 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.865 5.664 -10.995 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.999 2.784 -7.286 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.312 3.015 -6.015 1.00 0.00 C ATOM 1140 C VAL A 73 -2.894 2.445 -5.980 1.00 0.00 C ATOM 1141 O VAL A 73 -1.928 3.190 -5.817 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.115 2.430 -4.838 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.429 2.736 -3.516 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.538 2.970 -4.845 1.00 0.00 C ATOM 0 H VAL A 73 -5.728 2.071 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.237 4.098 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.158 1.347 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.012 2.314 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.431 2.298 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.352 3.816 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.092 2.547 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.516 4.056 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.027 2.695 -5.779 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.771 1.128 -6.128 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.464 0.475 -6.086 1.00 0.00 C ATOM 1156 C GLU A 74 -0.485 1.132 -7.055 1.00 0.00 C ATOM 1157 O GLU A 74 0.682 1.345 -6.721 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.602 -1.020 -6.393 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.300 -1.800 -6.280 1.00 0.00 C ATOM 1160 CD GLU A 74 0.558 -1.697 -7.528 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.178 -2.287 -8.560 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.610 -1.026 -7.470 1.00 0.00 O ATOM 0 H GLU A 74 -3.556 0.494 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.064 0.590 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.333 -1.454 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.997 -1.138 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.266 -1.432 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.526 -2.848 -6.085 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.963 1.460 -8.250 1.00 0.00 N ATOM 1170 CA LYS A 75 -0.121 2.097 -9.256 1.00 0.00 C ATOM 1171 C LYS A 75 0.265 3.508 -8.822 1.00 0.00 C ATOM 1172 O LYS A 75 1.375 3.966 -9.090 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.845 2.141 -10.603 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.002 2.705 -11.739 1.00 0.00 C ATOM 1175 CD LYS A 75 1.223 1.845 -12.024 1.00 0.00 C ATOM 1176 CE LYS A 75 0.838 0.442 -12.469 1.00 0.00 C ATOM 1177 NZ LYS A 75 2.029 -0.364 -12.851 1.00 0.00 N ATOM 0 H LYS A 75 -1.925 1.296 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 75 0.789 1.507 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.163 1.132 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.747 2.743 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.611 2.778 -12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.316 3.716 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.827 2.319 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.841 1.785 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.302 -0.060 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.155 0.504 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.826 -1.374 -12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.255 -0.197 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.840 -0.086 -12.262 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.659 4.193 -8.153 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.412 5.551 -7.680 1.00 0.00 C ATOM 1193 C TYR A 76 0.804 5.596 -6.757 1.00 0.00 C ATOM 1194 O TYR A 76 1.722 6.390 -6.966 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.646 6.092 -6.950 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.476 7.502 -6.428 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.775 8.600 -7.225 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.016 7.734 -5.138 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.621 9.889 -6.751 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.860 9.020 -4.656 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.163 10.094 -5.467 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.008 11.375 -4.991 1.00 0.00 O ATOM 0 H TYR A 76 -1.585 3.830 -7.927 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.208 6.179 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.499 6.066 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.882 5.431 -6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.134 8.444 -8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.776 6.895 -4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.858 10.732 -7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.503 9.183 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.049 12.009 -5.737 1.00 0.00 H new ATOM 1212 N ILE A 77 0.804 4.742 -5.736 1.00 0.00 N ATOM 1213 CA ILE A 77 1.910 4.689 -4.785 1.00 0.00 C ATOM 1214 C ILE A 77 3.223 4.362 -5.490 1.00 0.00 C ATOM 1215 O ILE A 77 4.263 4.948 -5.191 1.00 0.00 O ATOM 1216 CB ILE A 77 1.665 3.633 -3.686 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.334 3.892 -2.975 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.813 3.636 -2.685 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -0.057 2.795 -2.004 1.00 0.00 C ATOM 0 H ILE A 77 0.052 4.079 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 77 1.974 5.675 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 77 1.616 2.651 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.397 4.837 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.452 4.002 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.627 2.887 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.745 3.404 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.890 4.620 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.010 3.045 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.153 1.851 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.710 2.699 -1.235 1.00 0.00 H new ATOM 1231 N GLU A 78 3.164 3.420 -6.426 1.00 0.00 N ATOM 1232 CA GLU A 78 4.345 3.002 -7.169 1.00 0.00 C ATOM 1233 C GLU A 78 4.982 4.173 -7.915 1.00 0.00 C ATOM 1234 O GLU A 78 6.181 4.415 -7.798 1.00 0.00 O ATOM 1235 CB GLU A 78 3.976 1.894 -8.159 1.00 0.00 C ATOM 1236 CG GLU A 78 5.172 1.310 -8.895 1.00 0.00 C ATOM 1237 CD GLU A 78 4.778 0.224 -9.878 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.718 -0.954 -9.469 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.530 0.553 -11.057 1.00 0.00 O ATOM 0 H GLU A 78 2.308 2.931 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 78 5.073 2.624 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.465 1.095 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.270 2.291 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.690 2.107 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.876 0.901 -8.170 1.00 0.00 H new ATOM 1246 N GLU A 79 4.171 4.906 -8.670 1.00 0.00 N ATOM 1247 CA GLU A 79 4.665 6.042 -9.443 1.00 0.00 C ATOM 1248 C GLU A 79 5.288 7.108 -8.546 1.00 0.00 C ATOM 1249 O GLU A 79 6.351 7.646 -8.857 1.00 0.00 O ATOM 1250 CB GLU A 79 3.530 6.655 -10.266 1.00 0.00 C ATOM 1251 CG GLU A 79 2.957 5.711 -11.312 1.00 0.00 C ATOM 1252 CD GLU A 79 4.000 5.241 -12.308 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.182 5.921 -13.340 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.633 4.196 -12.057 1.00 0.00 O ATOM 0 H GLU A 79 3.170 4.735 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 79 5.441 5.671 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.731 6.966 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.897 7.554 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.520 4.846 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.150 6.213 -11.846 1.00 0.00 H new ATOM 1261 N GLN A 80 4.626 7.404 -7.432 1.00 0.00 N ATOM 1262 CA GLN A 80 5.109 8.420 -6.499 1.00 0.00 C ATOM 1263 C GLN A 80 6.500 8.087 -5.962 1.00 0.00 C ATOM 1264 O GLN A 80 7.320 8.982 -5.754 1.00 0.00 O ATOM 1265 CB GLN A 80 4.127 8.579 -5.335 1.00 0.00 C ATOM 1266 CG GLN A 80 2.785 9.163 -5.747 1.00 0.00 C ATOM 1267 CD GLN A 80 2.905 10.573 -6.293 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.092 10.772 -7.493 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.795 11.561 -5.411 1.00 0.00 N ATOM 0 H GLN A 80 3.754 6.956 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 80 5.180 9.359 -7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.964 7.606 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.576 9.221 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.331 8.522 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.115 9.166 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.640 11.350 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.865 12.531 -5.720 1.00 0.00 H new ATOM 1278 N LEU A 81 6.765 6.803 -5.737 1.00 0.00 N ATOM 1279 CA LEU A 81 8.058 6.374 -5.212 1.00 0.00 C ATOM 1280 C LEU A 81 9.120 6.356 -6.303 1.00 0.00 C ATOM 1281 O LEU A 81 10.283 6.686 -6.062 1.00 0.00 O ATOM 1282 CB LEU A 81 7.941 4.985 -4.581 1.00 0.00 C ATOM 1283 CG LEU A 81 7.028 4.901 -3.357 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.844 3.452 -2.931 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.596 5.727 -2.211 1.00 0.00 C ATOM 0 H LEU A 81 6.105 6.045 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 81 8.362 7.092 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.574 4.290 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.937 4.648 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 81 6.053 5.309 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.192 3.409 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.395 2.887 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.813 3.020 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.934 5.656 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.582 5.348 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.679 6.769 -2.520 1.00 0.00 H new ATOM 1297 N LEU A 82 8.710 5.975 -7.504 1.00 0.00 N ATOM 1298 CA LEU A 82 9.619 5.889 -8.639 1.00 0.00 C ATOM 1299 C LEU A 82 10.113 7.269 -9.063 1.00 0.00 C ATOM 1300 O LEU A 82 11.166 7.393 -9.690 1.00 0.00 O ATOM 1301 CB LEU A 82 8.930 5.184 -9.813 1.00 0.00 C ATOM 1302 CG LEU A 82 8.636 3.680 -9.631 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.505 2.855 -10.566 1.00 0.00 C ATOM 1304 CD2 LEU A 82 8.852 3.224 -8.193 1.00 0.00 C ATOM 0 H LEU A 82 7.746 5.719 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 82 10.487 5.306 -8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.988 5.695 -10.014 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.554 5.306 -10.699 1.00 0.00 H new ATOM 0 HG LEU A 82 7.585 3.526 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.287 1.796 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.297 3.135 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.556 3.041 -10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.633 2.159 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.888 3.404 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.190 3.782 -7.531 1.00 0.00 H new ATOM 1316 N GLN A 83 9.348 8.303 -8.725 1.00 0.00 N ATOM 1317 CA GLN A 83 9.715 9.674 -9.069 1.00 0.00 C ATOM 1318 C GLN A 83 11.118 10.012 -8.571 1.00 0.00 C ATOM 1319 O GLN A 83 11.769 10.916 -9.095 1.00 0.00 O ATOM 1320 CB GLN A 83 8.708 10.663 -8.480 1.00 0.00 C ATOM 1321 CG GLN A 83 7.366 10.672 -9.194 1.00 0.00 C ATOM 1322 CD GLN A 83 6.386 11.652 -8.579 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.426 11.917 -7.377 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.497 12.198 -9.401 1.00 0.00 N ATOM 0 H GLN A 83 8.470 8.218 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 83 9.704 9.755 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.548 10.422 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.134 11.666 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.518 10.926 -10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.938 9.670 -9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.498 11.951 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.813 12.864 -9.043 1.00 0.00 H new ATOM 1333 N ARG A 84 11.578 9.285 -7.555 1.00 0.00 N ATOM 1334 CA ARG A 84 12.903 9.518 -6.990 1.00 0.00 C ATOM 1335 C ARG A 84 13.760 8.258 -7.051 1.00 0.00 C ATOM 1336 O ARG A 84 14.980 8.320 -6.898 1.00 0.00 O ATOM 1337 CB ARG A 84 12.786 10.002 -5.544 1.00 0.00 C ATOM 1338 CG ARG A 84 12.005 11.297 -5.401 1.00 0.00 C ATOM 1339 CD ARG A 84 11.968 11.773 -3.958 1.00 0.00 C ATOM 1340 NE ARG A 84 11.194 13.002 -3.808 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.220 13.765 -2.719 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.983 13.428 -1.687 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.483 14.865 -2.662 1.00 0.00 N ATOM 0 H ARG A 84 11.054 8.532 -7.108 1.00 0.00 H new ATOM 0 HA ARG A 84 13.390 10.289 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.303 9.228 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.786 10.143 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.458 12.066 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.987 11.150 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.536 10.994 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.986 11.940 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 84 10.599 13.292 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.551 12.582 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.001 14.015 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.895 15.127 -3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.503 15.450 -1.827 1.00 0.00 H new ATOM 1357 N ILE A 85 13.118 7.115 -7.273 1.00 0.00 N ATOM 1358 CA ILE A 85 13.829 5.844 -7.357 1.00 0.00 C ATOM 1359 C ILE A 85 13.363 5.037 -8.572 1.00 0.00 C ATOM 1360 O ILE A 85 12.413 4.260 -8.478 1.00 0.00 O ATOM 1361 CB ILE A 85 13.633 4.993 -6.083 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.978 5.804 -4.831 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.484 3.735 -6.151 1.00 0.00 C ATOM 1364 CD1 ILE A 85 12.809 6.590 -4.275 1.00 0.00 C ATOM 0 H ILE A 85 12.108 7.043 -7.398 1.00 0.00 H new ATOM 0 HA ILE A 85 14.888 6.082 -7.459 1.00 0.00 H new ATOM 0 HB ILE A 85 12.584 4.702 -6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.349 5.127 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.789 6.493 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.335 3.146 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.193 3.145 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.535 4.011 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.128 7.139 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.451 7.292 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.005 5.905 -4.007 1.00 0.00 H new ATOM 1376 N PRO A 86 14.021 5.214 -9.734 1.00 0.00 N ATOM 1377 CA PRO A 86 13.658 4.494 -10.961 1.00 0.00 C ATOM 1378 C PRO A 86 13.988 3.009 -10.889 1.00 0.00 C ATOM 1379 O PRO A 86 13.361 2.188 -11.561 1.00 0.00 O ATOM 1380 CB PRO A 86 14.491 5.182 -12.043 1.00 0.00 C ATOM 1381 CG PRO A 86 15.653 5.771 -11.320 1.00 0.00 C ATOM 1382 CD PRO A 86 15.158 6.131 -9.947 1.00 0.00 C ATOM 0 HA PRO A 86 12.585 4.531 -11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.818 4.471 -12.801 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.914 5.952 -12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.476 5.059 -11.262 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.029 6.652 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.932 5.991 -9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.847 7.174 -9.894 1.00 0.00 H new ATOM 1390 N GLU A 87 14.973 2.676 -10.073 1.00 0.00 N ATOM 1391 CA GLU A 87 15.396 1.290 -9.895 1.00 0.00 C ATOM 1392 C GLU A 87 14.652 0.647 -8.729 1.00 0.00 C ATOM 1393 O GLU A 87 15.064 -0.392 -8.212 1.00 0.00 O ATOM 1394 CB GLU A 87 16.905 1.219 -9.650 1.00 0.00 C ATOM 1395 CG GLU A 87 17.742 1.470 -10.895 1.00 0.00 C ATOM 1396 CD GLU A 87 17.575 2.874 -11.441 1.00 0.00 C ATOM 1397 OE1 GLU A 87 18.284 3.785 -10.964 1.00 0.00 O ATOM 1398 OE2 GLU A 87 16.738 3.061 -12.349 1.00 0.00 O ATOM 0 H GLU A 87 15.501 3.349 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 87 15.159 0.743 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.175 1.951 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.153 0.236 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.793 1.298 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.465 0.750 -11.665 1.00 0.00 H new ATOM 1405 N PHE A 88 13.553 1.273 -8.327 1.00 0.00 N ATOM 1406 CA PHE A 88 12.744 0.780 -7.218 1.00 0.00 C ATOM 1407 C PHE A 88 12.260 -0.645 -7.468 1.00 0.00 C ATOM 1408 O PHE A 88 12.020 -1.042 -8.608 1.00 0.00 O ATOM 1409 CB PHE A 88 11.540 1.695 -6.999 1.00 0.00 C ATOM 1410 CG PHE A 88 10.797 1.421 -5.723 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.360 1.740 -4.496 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.538 0.845 -5.748 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.679 1.489 -3.321 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.851 0.592 -4.577 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.423 0.914 -3.361 1.00 0.00 C ATOM 0 H PHE A 88 13.199 2.129 -8.755 1.00 0.00 H new ATOM 0 HA PHE A 88 13.372 0.777 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.878 2.731 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.854 1.585 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.341 2.189 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.087 0.590 -6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.128 1.742 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.869 0.144 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.889 0.717 -2.443 1.00 0.00 H new ATOM 1425 N ASN A 89 12.121 -1.405 -6.387 1.00 0.00 N ATOM 1426 CA ASN A 89 11.654 -2.784 -6.465 1.00 0.00 C ATOM 1427 C ASN A 89 10.487 -3.005 -5.508 1.00 0.00 C ATOM 1428 O ASN A 89 10.680 -3.398 -4.358 1.00 0.00 O ATOM 1429 CB ASN A 89 12.796 -3.750 -6.141 1.00 0.00 C ATOM 1430 CG ASN A 89 13.626 -3.288 -4.958 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.585 -2.532 -5.117 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.263 -3.743 -3.764 1.00 0.00 N ATOM 0 H ASN A 89 12.327 -1.086 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 89 11.311 -2.977 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.384 -4.737 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.440 -3.854 -7.015 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.786 -3.467 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.461 -4.368 -3.678 1.00 0.00 H new ATOM 1439 N MET A 90 9.275 -2.741 -5.988 1.00 0.00 N ATOM 1440 CA MET A 90 8.076 -2.899 -5.172 1.00 0.00 C ATOM 1441 C MET A 90 7.891 -4.350 -4.736 1.00 0.00 C ATOM 1442 O MET A 90 7.296 -4.622 -3.692 1.00 0.00 O ATOM 1443 CB MET A 90 6.842 -2.424 -5.943 1.00 0.00 C ATOM 1444 CG MET A 90 5.592 -2.310 -5.086 1.00 0.00 C ATOM 1445 SD MET A 90 5.804 -1.179 -3.696 1.00 0.00 S ATOM 1446 CE MET A 90 4.118 -1.033 -3.113 1.00 0.00 C ATOM 0 H MET A 90 9.098 -2.416 -6.939 1.00 0.00 H new ATOM 0 HA MET A 90 8.197 -2.287 -4.278 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.055 -1.453 -6.390 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.648 -3.116 -6.762 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.762 -1.968 -5.704 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.323 -3.297 -4.709 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.087 -0.364 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.491 -0.631 -3.909 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.748 -2.016 -2.821 1.00 0.00 H new ATOM 1456 N ALA A 91 8.402 -5.277 -5.540 1.00 0.00 N ATOM 1457 CA ALA A 91 8.287 -6.699 -5.237 1.00 0.00 C ATOM 1458 C ALA A 91 9.113 -7.075 -4.010 1.00 0.00 C ATOM 1459 O ALA A 91 8.581 -7.584 -3.023 1.00 0.00 O ATOM 1460 CB ALA A 91 8.718 -7.529 -6.437 1.00 0.00 C ATOM 0 H ALA A 91 8.899 -5.069 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 91 7.241 -6.911 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.628 -8.589 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.081 -7.294 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.755 -7.300 -6.684 1.00 0.00 H new ATOM 1466 N ALA A 92 10.416 -6.816 -4.077 1.00 0.00 N ATOM 1467 CA ALA A 92 11.315 -7.130 -2.974 1.00 0.00 C ATOM 1468 C ALA A 92 11.037 -6.237 -1.770 1.00 0.00 C ATOM 1469 O ALA A 92 11.327 -6.606 -0.632 1.00 0.00 O ATOM 1470 CB ALA A 92 12.765 -6.995 -3.417 1.00 0.00 C ATOM 0 H ALA A 92 10.871 -6.390 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 92 11.137 -8.163 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.424 -7.233 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.959 -7.683 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.951 -5.973 -3.746 1.00 0.00 H new ATOM 1476 N PHE A 93 10.477 -5.061 -2.030 1.00 0.00 N ATOM 1477 CA PHE A 93 10.158 -4.113 -0.969 1.00 0.00 C ATOM 1478 C PHE A 93 9.080 -4.672 -0.046 1.00 0.00 C ATOM 1479 O PHE A 93 9.249 -4.703 1.172 1.00 0.00 O ATOM 1480 CB PHE A 93 9.694 -2.783 -1.565 1.00 0.00 C ATOM 1481 CG PHE A 93 9.223 -1.791 -0.539 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.112 -1.241 0.372 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.892 -1.409 -0.486 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.680 -0.330 1.317 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.456 -0.497 0.456 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.351 0.043 1.359 1.00 0.00 C ATOM 0 H PHE A 93 10.234 -4.741 -2.968 1.00 0.00 H new ATOM 0 HA PHE A 93 11.062 -3.945 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.515 -2.343 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.885 -2.974 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.153 -1.528 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.188 -1.829 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.382 0.090 2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.416 -0.207 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.012 0.756 2.096 1.00 0.00 H new ATOM 1496 N THR A 94 7.973 -5.113 -0.634 1.00 0.00 N ATOM 1497 CA THR A 94 6.866 -5.668 0.135 1.00 0.00 C ATOM 1498 C THR A 94 7.279 -6.952 0.848 1.00 0.00 C ATOM 1499 O THR A 94 6.864 -7.205 1.979 1.00 0.00 O ATOM 1500 CB THR A 94 5.647 -5.958 -0.759 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.014 -6.857 -1.812 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.095 -4.671 -1.352 1.00 0.00 C ATOM 0 H THR A 94 7.819 -5.097 -1.642 1.00 0.00 H new ATOM 0 HA THR A 94 6.591 -4.917 0.876 1.00 0.00 H new ATOM 0 HB THR A 94 4.873 -6.418 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.989 -6.868 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.234 -4.900 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.790 -4.001 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.865 -4.188 -1.954 1.00 0.00 H new ATOM 1510 N THR A 95 8.098 -7.757 0.179 1.00 0.00 N ATOM 1511 CA THR A 95 8.567 -9.015 0.752 1.00 0.00 C ATOM 1512 C THR A 95 9.402 -8.765 2.003 1.00 0.00 C ATOM 1513 O THR A 95 9.220 -9.425 3.027 1.00 0.00 O ATOM 1514 CB THR A 95 9.407 -9.814 -0.263 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.661 -10.014 -1.468 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.817 -11.162 0.312 1.00 0.00 C ATOM 0 H THR A 95 8.450 -7.562 -0.758 1.00 0.00 H new ATOM 0 HA THR A 95 7.683 -9.596 1.016 1.00 0.00 H new ATOM 0 HB THR A 95 10.308 -9.241 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.655 -9.185 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.409 -11.707 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.411 -11.008 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.926 -11.738 0.559 1.00 0.00 H new ATOM 1524 N THR A 96 10.318 -7.807 1.911 1.00 0.00 N ATOM 1525 CA THR A 96 11.188 -7.460 3.030 1.00 0.00 C ATOM 1526 C THR A 96 10.418 -6.702 4.106 1.00 0.00 C ATOM 1527 O THR A 96 10.746 -6.781 5.290 1.00 0.00 O ATOM 1528 CB THR A 96 12.378 -6.603 2.560 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.059 -7.256 1.482 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.355 -6.354 3.699 1.00 0.00 C ATOM 0 H THR A 96 10.478 -7.254 1.069 1.00 0.00 H new ATOM 0 HA THR A 96 11.564 -8.393 3.449 1.00 0.00 H new ATOM 0 HB THR A 96 11.988 -5.644 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.561 -7.118 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.186 -5.747 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.845 -5.830 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.735 -7.307 4.067 1.00 0.00 H new ATOM 1538 N LEU A 97 9.391 -5.969 3.685 1.00 0.00 N ATOM 1539 CA LEU A 97 8.572 -5.191 4.609 1.00 0.00 C ATOM 1540 C LEU A 97 7.858 -6.107 5.599 1.00 0.00 C ATOM 1541 O LEU A 97 7.821 -5.831 6.798 1.00 0.00 O ATOM 1542 CB LEU A 97 7.551 -4.353 3.830 1.00 0.00 C ATOM 1543 CG LEU A 97 7.016 -3.117 4.560 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.355 -2.166 3.575 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.031 -3.516 5.649 1.00 0.00 C ATOM 0 H LEU A 97 9.106 -5.898 2.708 1.00 0.00 H new ATOM 0 HA LEU A 97 9.224 -4.522 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.010 -4.031 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.708 -4.992 3.568 1.00 0.00 H new ATOM 0 HG LEU A 97 7.858 -2.608 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.980 -1.293 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.084 -1.850 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.526 -2.673 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.665 -2.622 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.192 -4.050 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.530 -4.162 6.372 1.00 0.00 H new ATOM 1557 N GLN A 98 7.297 -7.201 5.088 1.00 0.00 N ATOM 1558 CA GLN A 98 6.584 -8.162 5.926 1.00 0.00 C ATOM 1559 C GLN A 98 7.439 -8.584 7.115 1.00 0.00 C ATOM 1560 O GLN A 98 6.935 -8.783 8.221 1.00 0.00 O ATOM 1561 CB GLN A 98 6.188 -9.391 5.106 1.00 0.00 C ATOM 1562 CG GLN A 98 5.174 -9.097 4.013 1.00 0.00 C ATOM 1563 CD GLN A 98 4.873 -10.311 3.156 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.945 -11.449 3.623 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.538 -10.076 1.893 1.00 0.00 N ATOM 0 H GLN A 98 7.323 -7.444 4.098 1.00 0.00 H new ATOM 0 HA GLN A 98 5.682 -7.680 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.083 -9.818 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.778 -10.147 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.250 -8.739 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.550 -8.294 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.491 -9.117 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.328 -10.854 1.268 1.00 0.00 H new ATOM 1574 N HIS A 99 8.737 -8.716 6.878 1.00 0.00 N ATOM 1575 CA HIS A 99 9.672 -9.106 7.925 1.00 0.00 C ATOM 1576 C HIS A 99 10.033 -7.904 8.794 1.00 0.00 C ATOM 1577 O HIS A 99 10.120 -8.010 10.019 1.00 0.00 O ATOM 1578 CB HIS A 99 10.929 -9.715 7.299 1.00 0.00 C ATOM 1579 CG HIS A 99 12.073 -9.862 8.250 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.994 -10.588 9.421 1.00 0.00 N ATOM 1581 CD2 HIS A 99 13.333 -9.373 8.197 1.00 0.00 C ATOM 1582 CE1 HIS A 99 13.156 -10.536 10.047 1.00 0.00 C ATOM 1583 NE2 HIS A 99 13.985 -9.806 9.325 1.00 0.00 N ATOM 0 H HIS A 99 9.168 -8.558 5.967 1.00 0.00 H new ATOM 0 HA HIS A 99 9.198 -9.854 8.561 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.681 -10.695 6.891 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.244 -9.092 6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.749 -8.757 7.413 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.388 -11.010 10.989 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.954 -9.597 9.566 1.00 0.00 H new ATOM 1592 N HIS A 100 10.224 -6.757 8.151 1.00 0.00 N ATOM 1593 CA HIS A 100 10.579 -5.533 8.860 1.00 0.00 C ATOM 1594 C HIS A 100 9.436 -5.055 9.746 1.00 0.00 C ATOM 1595 O HIS A 100 9.595 -4.108 10.514 1.00 0.00 O ATOM 1596 CB HIS A 100 10.968 -4.435 7.870 1.00 0.00 C ATOM 1597 CG HIS A 100 12.427 -4.428 7.534 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.236 -3.326 7.720 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.225 -5.397 7.026 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.467 -3.617 7.340 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.487 -4.866 6.916 1.00 0.00 N ATOM 0 H HIS A 100 10.139 -6.649 7.140 1.00 0.00 H new ATOM 0 HA HIS A 100 11.434 -5.756 9.498 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.392 -4.562 6.953 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.694 -3.466 8.287 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.931 -2.427 8.093 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.925 -6.399 6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.313 -2.947 7.371 1.00 0.00 H new ATOM 1610 N LYS A 101 8.282 -5.710 9.634 1.00 0.00 N ATOM 1611 CA LYS A 101 7.122 -5.346 10.441 1.00 0.00 C ATOM 1612 C LYS A 101 7.452 -5.440 11.927 1.00 0.00 C ATOM 1613 O LYS A 101 6.723 -4.914 12.767 1.00 0.00 O ATOM 1614 CB LYS A 101 5.927 -6.244 10.115 1.00 0.00 C ATOM 1615 CG LYS A 101 5.361 -6.028 8.721 1.00 0.00 C ATOM 1616 CD LYS A 101 3.861 -6.289 8.678 1.00 0.00 C ATOM 1617 CE LYS A 101 3.531 -7.750 8.942 1.00 0.00 C ATOM 1618 NZ LYS A 101 4.005 -8.636 7.843 1.00 0.00 N ATOM 0 H LYS A 101 8.127 -6.491 8.996 1.00 0.00 H new ATOM 0 HA LYS A 101 6.858 -4.316 10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.229 -7.286 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.140 -6.067 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.562 -5.006 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.866 -6.689 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.363 -5.665 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.470 -5.999 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.988 -8.061 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.453 -7.863 9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.464 -9.524 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.867 -8.159 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.015 -8.844 7.976 1.00 0.00 H new ATOM 1632 N ASP A 102 8.555 -6.115 12.244 1.00 0.00 N ATOM 1633 CA ASP A 102 8.985 -6.271 13.629 1.00 0.00 C ATOM 1634 C ASP A 102 9.253 -4.912 14.271 1.00 0.00 C ATOM 1635 O ASP A 102 9.399 -4.808 15.489 1.00 0.00 O ATOM 1636 CB ASP A 102 10.243 -7.140 13.700 1.00 0.00 C ATOM 1637 CG ASP A 102 11.432 -6.491 13.018 1.00 0.00 C ATOM 1638 OD1 ASP A 102 12.159 -5.729 13.689 1.00 0.00 O ATOM 1639 OD2 ASP A 102 11.636 -6.745 11.812 1.00 0.00 O ATOM 0 H ASP A 102 9.166 -6.562 11.560 1.00 0.00 H new ATOM 0 HA ASP A 102 8.183 -6.761 14.180 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.488 -7.335 14.744 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.042 -8.105 13.234 1.00 0.00 H new ATOM 1644 N GLU A 103 9.316 -3.872 13.442 1.00 0.00 N ATOM 1645 CA GLU A 103 9.566 -2.518 13.926 1.00 0.00 C ATOM 1646 C GLU A 103 8.676 -1.509 13.206 1.00 0.00 C ATOM 1647 O GLU A 103 8.234 -0.524 13.798 1.00 0.00 O ATOM 1648 CB GLU A 103 11.037 -2.148 13.726 1.00 0.00 C ATOM 1649 CG GLU A 103 11.401 -0.780 14.280 1.00 0.00 C ATOM 1650 CD GLU A 103 12.843 -0.401 14.004 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.722 -0.788 14.803 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.094 0.283 12.989 1.00 0.00 O ATOM 0 H GLU A 103 9.197 -3.942 12.431 1.00 0.00 H new ATOM 0 HA GLU A 103 9.330 -2.490 14.990 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.661 -2.902 14.205 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.268 -2.173 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.742 -0.029 13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.227 -0.770 15.356 1.00 0.00 H new ATOM 1659 N VAL A 104 8.420 -1.759 11.925 1.00 0.00 N ATOM 1660 CA VAL A 104 7.584 -0.874 11.123 1.00 0.00 C ATOM 1661 C VAL A 104 6.159 -0.818 11.670 1.00 0.00 C ATOM 1662 O VAL A 104 5.637 -1.813 12.171 1.00 0.00 O ATOM 1663 CB VAL A 104 7.545 -1.325 9.647 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.657 -0.405 8.821 1.00 0.00 C ATOM 1665 CG2 VAL A 104 8.952 -1.375 9.070 1.00 0.00 C ATOM 0 H VAL A 104 8.781 -2.569 11.420 1.00 0.00 H new ATOM 0 HA VAL A 104 8.027 0.120 11.178 1.00 0.00 H new ATOM 0 HB VAL A 104 7.119 -2.328 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.646 -0.744 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.643 -0.424 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.046 0.612 8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.907 -1.695 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.404 -0.385 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.554 -2.082 9.641 1.00 0.00 H new ATOM 1675 N ALA A 105 5.539 0.355 11.571 1.00 0.00 N ATOM 1676 CA ALA A 105 4.177 0.542 12.055 1.00 0.00 C ATOM 1677 C ALA A 105 3.199 -0.361 11.309 1.00 0.00 C ATOM 1678 O ALA A 105 2.891 -0.130 10.140 1.00 0.00 O ATOM 1679 CB ALA A 105 3.762 2.000 11.915 1.00 0.00 C ATOM 0 H ALA A 105 5.959 1.189 11.160 1.00 0.00 H new ATOM 0 HA ALA A 105 4.153 0.267 13.110 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.743 2.125 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.436 2.628 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.810 2.293 10.866 1.00 0.00 H new ATOM 1685 N GLY A 106 2.717 -1.392 11.996 1.00 0.00 N ATOM 1686 CA GLY A 106 1.781 -2.318 11.388 1.00 0.00 C ATOM 1687 C GLY A 106 0.449 -1.668 11.067 1.00 0.00 C ATOM 1688 O GLY A 106 -0.225 -2.059 10.114 1.00 0.00 O ATOM 0 H GLY A 106 2.959 -1.602 12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.215 -2.721 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.618 -3.160 12.061 1.00 0.00 H new ATOM 1692 N ASP A 107 0.070 -0.676 11.868 1.00 0.00 N ATOM 1693 CA ASP A 107 -1.193 0.028 11.675 1.00 0.00 C ATOM 1694 C ASP A 107 -1.240 0.733 10.322 1.00 0.00 C ATOM 1695 O ASP A 107 -2.277 0.748 9.659 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.410 1.045 12.798 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.735 1.771 12.674 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.786 2.798 11.965 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -3.723 1.314 13.286 1.00 0.00 O ATOM 0 H ASP A 107 0.621 -0.341 12.658 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.992 -0.714 11.698 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.368 0.534 13.760 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.598 1.772 12.787 1.00 0.00 H new ATOM 1704 N ILE A 108 -0.117 1.321 9.916 1.00 0.00 N ATOM 1705 CA ILE A 108 -0.054 2.028 8.641 1.00 0.00 C ATOM 1706 C ILE A 108 -0.016 1.053 7.469 1.00 0.00 C ATOM 1707 O ILE A 108 -0.795 1.175 6.526 1.00 0.00 O ATOM 1708 CB ILE A 108 1.177 2.951 8.565 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.181 3.927 9.743 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.190 3.706 7.241 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.412 4.807 9.803 1.00 0.00 C ATOM 0 H ILE A 108 0.754 1.322 10.447 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.957 2.635 8.576 1.00 0.00 H new ATOM 0 HB ILE A 108 2.078 2.340 8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.296 4.560 9.681 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.104 3.361 10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.065 4.355 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.228 2.994 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.287 4.310 7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.343 5.472 10.664 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.301 4.183 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.480 5.400 8.891 1.00 0.00 H new ATOM 1723 N PHE A 109 0.886 0.079 7.536 1.00 0.00 N ATOM 1724 CA PHE A 109 1.008 -0.914 6.476 1.00 0.00 C ATOM 1725 C PHE A 109 -0.285 -1.708 6.335 1.00 0.00 C ATOM 1726 O PHE A 109 -0.598 -2.215 5.259 1.00 0.00 O ATOM 1727 CB PHE A 109 2.183 -1.861 6.736 1.00 0.00 C ATOM 1728 CG PHE A 109 2.421 -2.833 5.612 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.564 -2.383 4.307 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.491 -4.195 5.856 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.771 -3.271 3.268 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.701 -5.089 4.822 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.840 -4.627 3.526 1.00 0.00 C ATOM 0 H PHE A 109 1.540 -0.043 8.309 1.00 0.00 H new ATOM 0 HA PHE A 109 1.199 -0.383 5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.087 -1.273 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.997 -2.417 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.513 -1.324 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.380 -4.563 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.879 -2.906 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.756 -6.148 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.002 -5.324 2.717 1.00 0.00 H new ATOM 1743 N ASP A 110 -1.026 -1.814 7.435 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.283 -2.557 7.451 1.00 0.00 C ATOM 1745 C ASP A 110 -3.176 -2.170 6.276 1.00 0.00 C ATOM 1746 O ASP A 110 -3.848 -3.026 5.698 1.00 0.00 O ATOM 1747 CB ASP A 110 -3.024 -2.315 8.768 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.323 -3.091 8.851 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.292 -4.256 9.299 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.373 -2.534 8.465 1.00 0.00 O ATOM 0 H ASP A 110 -0.776 -1.393 8.330 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.043 -3.616 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.381 -2.598 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.232 -1.250 8.874 1.00 0.00 H new ATOM 1755 N MET A 111 -3.193 -0.887 5.922 1.00 0.00 N ATOM 1756 CA MET A 111 -4.007 -0.433 4.802 1.00 0.00 C ATOM 1757 C MET A 111 -3.387 -0.894 3.486 1.00 0.00 C ATOM 1758 O MET A 111 -4.089 -1.283 2.553 1.00 0.00 O ATOM 1759 CB MET A 111 -4.162 1.094 4.812 1.00 0.00 C ATOM 1760 CG MET A 111 -2.917 1.847 4.370 1.00 0.00 C ATOM 1761 SD MET A 111 -3.278 3.518 3.805 1.00 0.00 S ATOM 1762 CE MET A 111 -1.716 3.945 3.041 1.00 0.00 C ATOM 0 H MET A 111 -2.659 -0.153 6.389 1.00 0.00 H new ATOM 0 HA MET A 111 -5.000 -0.871 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.991 1.369 4.159 1.00 0.00 H new ATOM 0 HB3 MET A 111 -4.429 1.415 5.819 1.00 0.00 H new ATOM 0 HG2 MET A 111 -2.212 1.893 5.200 1.00 0.00 H new ATOM 0 HG3 MET A 111 -2.429 1.294 3.567 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.778 4.950 2.623 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.924 3.912 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.494 3.234 2.245 1.00 0.00 H new ATOM 1772 N LEU A 112 -2.058 -0.852 3.431 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.322 -1.263 2.244 1.00 0.00 C ATOM 1774 C LEU A 112 -1.492 -2.758 1.990 1.00 0.00 C ATOM 1775 O LEU A 112 -1.333 -3.226 0.865 1.00 0.00 O ATOM 1776 CB LEU A 112 0.164 -0.921 2.390 1.00 0.00 C ATOM 1777 CG LEU A 112 0.500 0.573 2.353 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.994 0.788 2.536 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.031 1.195 1.047 1.00 0.00 C ATOM 0 H LEU A 112 -1.468 -0.535 4.201 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.727 -0.719 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.524 -1.334 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.715 -1.420 1.592 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.023 1.062 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.214 1.855 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.305 0.379 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.535 0.284 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.279 2.256 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.526 0.701 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.048 1.074 0.953 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.821 -3.500 3.045 1.00 0.00 N ATOM 1792 CA LEU A 113 -2.011 -4.946 2.943 1.00 0.00 C ATOM 1793 C LEU A 113 -2.949 -5.299 1.795 1.00 0.00 C ATOM 1794 O LEU A 113 -2.869 -6.390 1.233 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.562 -5.512 4.255 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.555 -5.598 5.406 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -2.231 -6.103 6.670 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.390 -6.503 5.030 1.00 0.00 C ATOM 0 H LEU A 113 -1.962 -3.123 3.982 1.00 0.00 H new ATOM 0 HA LEU A 113 -1.037 -5.393 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.401 -4.894 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.956 -6.510 4.064 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.168 -4.597 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.500 -6.157 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.032 -5.420 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.646 -7.094 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.315 -6.552 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.763 -7.504 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.113 -6.102 4.150 1.00 0.00 H new ATOM 1810 N THR A 114 -3.845 -4.374 1.460 1.00 0.00 N ATOM 1811 CA THR A 114 -4.801 -4.584 0.376 1.00 0.00 C ATOM 1812 C THR A 114 -4.107 -4.950 -0.940 1.00 0.00 C ATOM 1813 O THR A 114 -4.770 -5.267 -1.929 1.00 0.00 O ATOM 1814 CB THR A 114 -5.669 -3.332 0.155 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.845 -2.221 -0.217 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.450 -2.989 1.416 1.00 0.00 C ATOM 0 H THR A 114 -3.929 -3.470 1.925 1.00 0.00 H new ATOM 0 HA THR A 114 -5.433 -5.419 0.679 1.00 0.00 H new ATOM 0 HB THR A 114 -6.375 -3.544 -0.648 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.503 -1.783 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.057 -2.101 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.098 -3.824 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.755 -2.796 2.233 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.774 -4.905 -0.951 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.007 -5.243 -2.148 1.00 0.00 C ATOM 1826 C PHE A 115 -2.197 -6.712 -2.516 1.00 0.00 C ATOM 1827 O PHE A 115 -2.216 -7.068 -3.694 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.514 -4.957 -1.936 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.152 -3.495 -1.939 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.769 -2.611 -2.813 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.813 -3.004 -1.070 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.433 -1.271 -2.818 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.152 -1.664 -1.073 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.527 -0.797 -1.947 1.00 0.00 C ATOM 0 H PHE A 115 -2.206 -4.639 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.376 -4.622 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.205 -5.393 -0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.054 -5.461 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.521 -2.975 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.305 -3.677 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.922 -0.594 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.905 -1.296 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.789 0.251 -1.949 1.00 0.00 H new ATOM 1844 N THR A 116 -2.337 -7.559 -1.500 1.00 0.00 N ATOM 1845 CA THR A 116 -2.523 -8.990 -1.716 1.00 0.00 C ATOM 1846 C THR A 116 -3.550 -9.570 -0.748 1.00 0.00 C ATOM 1847 O THR A 116 -4.279 -10.502 -1.086 1.00 0.00 O ATOM 1848 CB THR A 116 -1.199 -9.760 -1.553 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.678 -9.566 -0.231 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.171 -9.302 -2.578 1.00 0.00 C ATOM 0 H THR A 116 -2.325 -7.279 -0.519 1.00 0.00 H new ATOM 0 HA THR A 116 -2.884 -9.106 -2.738 1.00 0.00 H new ATOM 0 HB THR A 116 -1.401 -10.819 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.163 -10.060 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.754 -9.862 -2.441 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.556 -9.478 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.026 -8.238 -2.446 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.600 -9.011 0.459 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.534 -9.474 1.481 1.00 0.00 C ATOM 1860 C ASP A 117 -5.977 -9.159 1.097 1.00 0.00 C ATOM 1861 O ASP A 117 -6.537 -8.147 1.521 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.201 -8.834 2.831 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.800 -9.170 3.300 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.845 -8.511 2.837 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.658 -10.094 4.128 1.00 0.00 O ATOM 0 H ASP A 117 -3.004 -8.237 0.753 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.433 -10.556 1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.305 -7.752 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.921 -9.170 3.577 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.573 -10.034 0.293 1.00 0.00 N ATOM 1871 CA PHE A 118 -7.951 -9.853 -0.146 1.00 0.00 C ATOM 1872 C PHE A 118 -8.897 -9.822 1.049 1.00 0.00 C ATOM 1873 O PHE A 118 -9.920 -9.135 1.030 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.350 -10.980 -1.101 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.737 -10.834 -1.659 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -9.975 -10.010 -2.746 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -10.802 -11.520 -1.096 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.249 -9.872 -3.263 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.078 -11.386 -1.609 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.302 -10.561 -2.694 1.00 0.00 C ATOM 0 H PHE A 118 -6.123 -10.875 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.024 -8.899 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.638 -11.015 -1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.277 -11.932 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.155 -9.469 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.633 -12.166 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.421 -9.226 -4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.900 -11.926 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.299 -10.455 -3.097 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.545 -10.571 2.090 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.357 -10.636 3.299 1.00 0.00 C ATOM 1892 C LEU A 119 -9.388 -9.286 4.005 1.00 0.00 C ATOM 1893 O LEU A 119 -10.407 -8.896 4.573 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.817 -11.712 4.248 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.126 -13.162 3.850 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.627 -13.402 3.815 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.499 -13.503 2.504 1.00 0.00 C ATOM 0 H LEU A 119 -7.701 -11.142 2.120 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.375 -10.898 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.736 -11.597 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.225 -11.532 5.243 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.690 -13.818 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.824 -14.436 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.049 -13.210 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.086 -12.732 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.733 -14.536 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.897 -12.838 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.418 -13.380 2.565 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.265 -8.575 3.965 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.167 -7.266 4.596 1.00 0.00 C ATOM 1911 C ALA A 120 -8.881 -6.212 3.760 1.00 0.00 C ATOM 1912 O ALA A 120 -9.338 -5.194 4.278 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.709 -6.886 4.802 1.00 0.00 C ATOM 0 H ALA A 120 -7.411 -8.885 3.502 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.653 -7.316 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.652 -5.905 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.227 -7.626 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.202 -6.854 3.838 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.965 -6.470 2.460 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.624 -5.560 1.530 1.00 0.00 C ATOM 1921 C PHE A 121 -11.110 -5.441 1.865 1.00 0.00 C ATOM 1922 O PHE A 121 -11.629 -4.341 2.081 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.441 -6.079 0.100 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.690 -5.058 -0.976 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.099 -3.806 -0.918 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.506 -5.361 -2.055 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.317 -2.875 -1.916 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.729 -4.433 -3.055 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.134 -3.189 -2.986 1.00 0.00 C ATOM 0 H PHE A 121 -8.582 -7.308 2.023 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.175 -4.570 1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.425 -6.459 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.114 -6.922 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.461 -3.555 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.973 -6.333 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.849 -1.903 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.368 -4.681 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.307 -2.463 -3.766 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.782 -6.586 1.923 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.205 -6.625 2.234 1.00 0.00 C ATOM 1941 C LYS A 122 -13.465 -6.105 3.644 1.00 0.00 C ATOM 1942 O LYS A 122 -14.334 -5.259 3.851 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.737 -8.053 2.095 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.242 -8.168 2.277 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.709 -9.607 2.130 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.221 -9.717 2.234 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.729 -9.202 3.535 1.00 0.00 N ATOM 0 H LYS A 122 -11.362 -7.501 1.758 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.728 -5.980 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.469 -8.436 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.242 -8.688 2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.521 -7.792 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.748 -7.543 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.380 -10.001 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.245 -10.222 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.682 -9.160 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.518 -10.759 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.366 -9.905 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.929 -9.027 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.248 -8.314 3.378 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.704 -6.614 4.610 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.852 -6.203 5.999 1.00 0.00 C ATOM 1963 C GLU A 123 -12.668 -4.697 6.147 1.00 0.00 C ATOM 1964 O GLU A 123 -13.290 -4.068 7.002 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.846 -6.944 6.879 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.163 -8.421 7.056 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.188 -9.118 7.985 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -10.162 -9.631 7.492 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.451 -9.150 9.205 1.00 0.00 O ATOM 0 H GLU A 123 -11.978 -7.313 4.453 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.862 -6.456 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -10.852 -6.844 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.814 -6.468 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -13.174 -8.527 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.146 -8.912 6.083 1.00 0.00 H new ATOM 1976 N MET A 124 -11.809 -4.123 5.310 1.00 0.00 N ATOM 1977 CA MET A 124 -11.550 -2.689 5.349 1.00 0.00 C ATOM 1978 C MET A 124 -12.817 -1.909 5.018 1.00 0.00 C ATOM 1979 O MET A 124 -13.180 -0.964 5.722 1.00 0.00 O ATOM 1980 CB MET A 124 -10.437 -2.321 4.365 1.00 0.00 C ATOM 1981 CG MET A 124 -10.080 -0.844 4.372 1.00 0.00 C ATOM 1982 SD MET A 124 -8.799 -0.436 3.172 1.00 0.00 S ATOM 1983 CE MET A 124 -9.616 -0.870 1.639 1.00 0.00 C ATOM 0 H MET A 124 -11.282 -4.628 4.598 1.00 0.00 H new ATOM 0 HA MET A 124 -11.230 -2.426 6.357 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.546 -2.902 4.604 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.744 -2.607 3.359 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.973 -0.257 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.743 -0.560 5.369 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.136 -0.349 0.811 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.545 -1.946 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.665 -0.579 1.691 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.488 -2.312 3.944 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.717 -1.647 3.524 1.00 0.00 C ATOM 1995 C PHE A 125 -15.821 -1.815 4.565 1.00 0.00 C ATOM 1996 O PHE A 125 -16.501 -0.851 4.919 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.182 -2.191 2.173 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.203 -1.939 1.062 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.776 -0.652 0.779 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.710 -2.987 0.304 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.874 -0.415 -0.239 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.808 -2.756 -0.717 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.390 -1.468 -0.989 1.00 0.00 C ATOM 0 H PHE A 125 -13.204 -3.092 3.351 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.503 -0.583 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.353 -3.264 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.138 -1.736 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.153 0.176 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.034 -3.996 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.547 0.593 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.430 -3.582 -1.302 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.686 -1.285 -1.787 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.996 -3.041 5.051 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.019 -3.326 6.054 1.00 0.00 C ATOM 2015 C LEU A 126 -16.792 -2.495 7.311 1.00 0.00 C ATOM 2016 O LEU A 126 -17.739 -2.140 8.013 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.026 -4.816 6.404 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.884 -5.699 5.490 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.424 -5.592 4.044 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.840 -7.147 5.957 1.00 0.00 C ATOM 0 H LEU A 126 -15.445 -3.851 4.768 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.988 -3.059 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.000 -5.183 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.380 -4.930 7.429 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.914 -5.346 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.048 -6.227 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.508 -4.558 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.386 -5.914 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.454 -7.761 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.811 -7.506 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.223 -7.213 6.975 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.529 -2.187 7.589 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.178 -1.391 8.757 1.00 0.00 C ATOM 2034 C ASP A 127 -15.671 0.043 8.590 1.00 0.00 C ATOM 2035 O ASP A 127 -16.206 0.642 9.525 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.663 -1.403 8.973 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.245 -0.608 10.193 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.041 0.618 10.062 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.123 -1.210 11.280 1.00 0.00 O ATOM 0 H ASP A 127 -14.733 -2.477 7.021 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.661 -1.828 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.323 -2.433 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.170 -0.995 8.091 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.485 0.584 7.390 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.915 1.944 7.085 1.00 0.00 C ATOM 2046 C TYR A 128 -17.411 2.108 7.342 1.00 0.00 C ATOM 2047 O TYR A 128 -17.839 3.067 7.986 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.593 2.280 5.626 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.900 3.710 5.243 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.968 4.720 5.449 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -17.118 4.049 4.668 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.243 6.028 5.095 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.400 5.354 4.311 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.460 6.339 4.526 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.736 7.639 4.172 1.00 0.00 O ATOM 0 H TYR A 128 -15.038 0.100 6.611 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.376 2.631 7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.536 2.084 5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -16.158 1.611 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.013 4.479 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.857 3.280 4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.509 6.802 5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -18.352 5.601 3.866 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.634 7.689 3.784 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.200 1.166 6.833 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.648 1.203 7.010 1.00 0.00 C ATOM 2067 C ARG A 129 -20.029 0.894 8.455 1.00 0.00 C ATOM 2068 O ARG A 129 -21.059 1.355 8.947 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.325 0.201 6.070 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.843 0.206 6.165 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.463 -0.860 5.276 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.920 -0.882 5.386 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.675 -1.912 5.010 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -24.114 -3.004 4.509 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.993 -1.849 5.140 1.00 0.00 N ATOM 0 H ARG A 129 -17.861 0.368 6.295 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.991 2.209 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -20.033 0.424 5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.959 -0.801 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.144 0.038 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.223 1.186 5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.180 -0.678 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.064 -1.837 5.548 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.385 -0.061 5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.100 -3.057 4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.696 -3.791 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.428 -1.012 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.572 -2.638 4.852 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.191 0.114 9.129 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.439 -0.259 10.517 1.00 0.00 C ATOM 2091 C ALA A 130 -19.525 0.972 11.411 1.00 0.00 C ATOM 2092 O ALA A 130 -20.367 1.042 12.307 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.350 -1.196 11.013 1.00 0.00 C ATOM 0 H ALA A 130 -18.333 -0.273 8.736 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.398 -0.775 10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -18.547 -1.466 12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -18.338 -2.097 10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.383 -0.698 10.946 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.648 1.939 11.166 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.627 3.167 11.953 1.00 0.00 C ATOM 2101 C GLU A 131 -19.886 3.998 11.710 1.00 0.00 C ATOM 2102 O GLU A 131 -20.265 4.824 12.541 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.382 3.990 11.618 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.080 3.264 11.918 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.857 4.088 11.565 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.394 3.997 10.408 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.363 4.824 12.444 1.00 0.00 O ATOM 0 H GLU A 131 -17.943 1.897 10.430 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.599 2.891 13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.405 4.257 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.408 4.922 12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.047 3.008 12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.055 2.327 11.362 1.00 0.00 H new ATOM 2114 N LYS A 132 -20.532 3.771 10.570 1.00 0.00 N ATOM 2115 CA LYS A 132 -21.748 4.499 10.220 1.00 0.00 C ATOM 2116 C LYS A 132 -22.921 4.054 11.087 1.00 0.00 C ATOM 2117 O LYS A 132 -23.952 4.724 11.144 1.00 0.00 O ATOM 2118 CB LYS A 132 -22.089 4.289 8.743 1.00 0.00 C ATOM 2119 CG LYS A 132 -21.014 4.787 7.790 1.00 0.00 C ATOM 2120 CD LYS A 132 -20.904 6.304 7.813 1.00 0.00 C ATOM 2121 CE LYS A 132 -19.814 6.797 6.875 1.00 0.00 C ATOM 2122 NZ LYS A 132 -18.474 6.267 7.253 1.00 0.00 N ATOM 0 H LYS A 132 -20.234 3.089 9.873 1.00 0.00 H new ATOM 0 HA LYS A 132 -21.566 5.559 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -22.256 3.227 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -23.025 4.800 8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -20.054 4.348 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.242 4.453 6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -21.859 6.744 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -20.691 6.639 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -20.049 6.495 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -19.790 7.887 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -17.830 7.060 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -18.562 5.674 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -18.093 5.697 6.471 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.757 2.920 11.763 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.807 2.384 12.624 1.00 0.00 C ATOM 2138 C GLU A 133 -23.941 3.205 13.904 1.00 0.00 C ATOM 2139 O GLU A 133 -24.919 3.070 14.639 1.00 0.00 O ATOM 2140 CB GLU A 133 -23.515 0.924 12.973 1.00 0.00 C ATOM 2141 CG GLU A 133 -23.397 0.020 11.756 1.00 0.00 C ATOM 2142 CD GLU A 133 -23.191 -1.434 12.130 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -22.031 -1.825 12.375 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -24.190 -2.181 12.179 1.00 0.00 O ATOM 0 H GLU A 133 -21.908 2.355 11.731 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.749 2.441 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -22.588 0.874 13.544 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -24.308 0.548 13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -24.299 0.112 11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -22.563 0.354 11.139 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.951 4.054 14.166 1.00 0.00 N ATOM 2152 CA GLY A 134 -22.980 4.881 15.359 1.00 0.00 C ATOM 2153 C GLY A 134 -23.247 6.339 15.046 1.00 0.00 C ATOM 2154 O GLY A 134 -23.442 7.150 15.953 1.00 0.00 O ATOM 0 H GLY A 134 -22.130 4.184 13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -23.750 4.511 16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -22.028 4.793 15.882 1.00 0.00 H new ATOM 2158 N ARG A 135 -23.258 6.674 13.760 1.00 0.00 N ATOM 2159 CA ARG A 135 -23.503 8.045 13.329 1.00 0.00 C ATOM 2160 C ARG A 135 -23.881 8.093 11.852 1.00 0.00 C ATOM 2161 O ARG A 135 -23.033 7.913 10.978 1.00 0.00 O ATOM 2162 CB ARG A 135 -22.265 8.908 13.580 1.00 0.00 C ATOM 2163 CG ARG A 135 -22.466 10.375 13.239 1.00 0.00 C ATOM 2164 CD ARG A 135 -21.201 11.181 13.487 1.00 0.00 C ATOM 2165 NE ARG A 135 -20.770 11.109 14.881 1.00 0.00 N ATOM 2166 CZ ARG A 135 -19.643 11.650 15.335 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -18.835 12.301 14.509 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -19.324 11.542 16.617 1.00 0.00 N ATOM 0 H ARG A 135 -23.100 6.014 12.998 1.00 0.00 H new ATOM 0 HA ARG A 135 -24.337 8.439 13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -21.980 8.823 14.629 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -21.435 8.517 12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -22.761 10.470 12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -23.281 10.781 13.838 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -20.404 10.812 12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -21.375 12.222 13.215 1.00 0.00 H new ATOM 0 HE ARG A 135 -21.368 10.616 15.544 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -19.077 12.388 13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -17.972 12.715 14.861 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -19.943 11.044 17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -18.459 11.957 16.964 1.00 0.00 H new ATOM 2182 N GLY A 136 -25.161 8.336 11.584 1.00 0.00 N ATOM 2183 CA GLY A 136 -25.634 8.404 10.213 1.00 0.00 C ATOM 2184 C GLY A 136 -27.002 9.049 10.104 1.00 0.00 C ATOM 2185 O GLY A 136 -27.759 8.682 9.181 1.00 0.00 O ATOM 2186 OXT GLY A 136 -27.317 9.921 10.941 1.00 0.00 O ATOM 0 H GLY A 136 -25.879 8.487 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -24.920 8.969 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -25.676 7.398 9.796 1.00 0.00 H new TER 2190 GLY A 136