USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 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 47 MET CE :methyl 152:sc= -0.486 (180deg=-0.187) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 160:sc=-0.00747 (180deg=0) USER MOD Set 2.1: A 26 TYR OH : rot 110:sc= -0.223 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 157:sc= -0.153 (180deg=-0.656) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.205 X(o=0.21,f=-0.04) USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.187 (180deg=-0.695) USER MOD Single : A 5 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.43) USER MOD Single : A 6 CYS SG : rot 137:sc= -0.943 USER MOD Single : A 7 ASN : amide:sc= 0.0852 X(o=0.085,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0193) USER MOD Single : A 18 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-5.6!) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.702 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc=-0.00556 (180deg=-0.0972) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 62:sc= 0.125 USER MOD Single : A 56 MET CE :methyl -154:sc= -0.292 (180deg=-1.21) USER MOD Single : A 58 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.081) USER MOD Single : A 61 TYR OH : rot 30:sc=-0.000509 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl -141:sc= -1.23 (180deg=-5.51!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.92) USER MOD Single : A 78 CYS SG : rot 131:sc= -0.787 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 140:sc= 0.00659 (180deg=0) USER MOD Single : A 106 MET CE :methyl 160:sc= -0.0176 (180deg=-0.787) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.564 13.419 -0.553 1.00 0.00 N ATOM 2 CA GLU A 1 -15.139 12.170 -1.243 1.00 0.00 C ATOM 3 C GLU A 1 -13.938 11.536 -0.549 1.00 0.00 C ATOM 4 O GLU A 1 -12.866 12.138 -0.471 1.00 0.00 O ATOM 5 CB GLU A 1 -14.785 12.504 -2.695 1.00 0.00 C ATOM 6 CG GLU A 1 -15.947 12.347 -3.663 1.00 0.00 C ATOM 7 CD GLU A 1 -15.716 13.080 -4.970 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.038 12.517 -5.855 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.209 14.219 -5.107 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.383 13.828 -1.048 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.827 13.201 0.429 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.780 14.102 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.959 11.453 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.421 13.530 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.967 11.860 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.105 11.288 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.858 12.721 -3.196 1.00 0.00 H new ATOM 18 N GLN A 2 -14.121 10.313 -0.052 1.00 0.00 N ATOM 19 CA GLN A 2 -13.045 9.596 0.628 1.00 0.00 C ATOM 20 C GLN A 2 -12.032 9.050 -0.381 1.00 0.00 C ATOM 21 O GLN A 2 -10.829 9.046 -0.118 1.00 0.00 O ATOM 22 CB GLN A 2 -13.610 8.453 1.479 1.00 0.00 C ATOM 23 CG GLN A 2 -13.972 8.868 2.897 1.00 0.00 C ATOM 24 CD GLN A 2 -12.751 9.065 3.778 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.067 8.106 4.131 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.471 10.313 4.137 1.00 0.00 N ATOM 0 H GLN A 2 -15.001 9.800 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.534 10.301 1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.497 8.052 0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.877 7.647 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.546 9.794 2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.617 8.109 3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.065 11.080 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.662 10.504 4.728 1.00 0.00 H new ATOM 35 N LEU A 3 -12.526 8.599 -1.539 1.00 0.00 N ATOM 36 CA LEU A 3 -11.661 8.061 -2.593 1.00 0.00 C ATOM 37 C LEU A 3 -10.605 9.085 -3.018 1.00 0.00 C ATOM 38 O LEU A 3 -9.480 8.720 -3.361 1.00 0.00 O ATOM 39 CB LEU A 3 -12.496 7.640 -3.810 1.00 0.00 C ATOM 40 CG LEU A 3 -12.531 6.133 -4.090 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.945 5.685 -4.433 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.570 5.775 -5.215 1.00 0.00 C ATOM 0 H LEU A 3 -13.520 8.596 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.151 7.187 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.518 7.990 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.105 8.148 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.214 5.610 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.950 4.613 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.609 5.904 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.290 6.217 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.609 4.701 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.856 6.309 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.556 6.058 -4.931 1.00 0.00 H new ATOM 54 N LYS A 4 -10.975 10.369 -2.991 1.00 0.00 N ATOM 55 CA LYS A 4 -10.060 11.444 -3.374 1.00 0.00 C ATOM 56 C LYS A 4 -8.818 11.449 -2.483 1.00 0.00 C ATOM 57 O LYS A 4 -7.695 11.557 -2.977 1.00 0.00 O ATOM 58 CB LYS A 4 -10.769 12.801 -3.290 1.00 0.00 C ATOM 59 CG LYS A 4 -10.149 13.874 -4.172 1.00 0.00 C ATOM 60 CD LYS A 4 -10.837 13.953 -5.529 1.00 0.00 C ATOM 61 CE LYS A 4 -9.984 14.694 -6.549 1.00 0.00 C ATOM 62 NZ LYS A 4 -8.675 14.018 -6.782 1.00 0.00 N ATOM 0 H LYS A 4 -11.902 10.687 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.745 11.269 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.814 12.672 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.757 13.143 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.217 14.840 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.089 13.662 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.045 12.946 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.797 14.458 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.527 14.766 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.809 15.713 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.319 14.267 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.991 14.328 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.801 12.987 -6.720 1.00 0.00 H new ATOM 76 N HIS A 5 -9.027 11.324 -1.172 1.00 0.00 N ATOM 77 CA HIS A 5 -7.921 11.306 -0.215 1.00 0.00 C ATOM 78 C HIS A 5 -6.974 10.141 -0.500 1.00 0.00 C ATOM 79 O HIS A 5 -5.754 10.311 -0.500 1.00 0.00 O ATOM 80 CB HIS A 5 -8.450 11.204 1.219 1.00 0.00 C ATOM 81 CG HIS A 5 -8.111 12.386 2.077 1.00 0.00 C ATOM 82 ND1 HIS A 5 -6.928 13.087 1.968 1.00 0.00 N ATOM 83 CD2 HIS A 5 -8.807 12.984 3.073 1.00 0.00 C ATOM 84 CE1 HIS A 5 -6.911 14.061 2.859 1.00 0.00 C ATOM 85 NE2 HIS A 5 -8.040 14.022 3.544 1.00 0.00 N ATOM 0 H HIS A 5 -9.951 11.234 -0.749 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.370 12.240 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.533 11.088 1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.046 10.304 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.785 12.698 3.431 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.109 14.770 3.004 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.299 14.658 4.298 1.00 0.00 H new ATOM 94 N CYS A 6 -7.546 8.959 -0.748 1.00 0.00 N ATOM 95 CA CYS A 6 -6.754 7.766 -1.042 1.00 0.00 C ATOM 96 C CYS A 6 -5.858 8.000 -2.257 1.00 0.00 C ATOM 97 O CYS A 6 -4.701 7.575 -2.277 1.00 0.00 O ATOM 98 CB CYS A 6 -7.667 6.561 -1.294 1.00 0.00 C ATOM 99 SG CYS A 6 -6.799 4.974 -1.332 1.00 0.00 S ATOM 0 H CYS A 6 -8.554 8.805 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.125 7.557 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.430 6.527 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.185 6.703 -2.243 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.481 4.090 -0.665 1.00 0.00 H new ATOM 105 N ASN A 7 -6.402 8.686 -3.264 1.00 0.00 N ATOM 106 CA ASN A 7 -5.657 8.987 -4.484 1.00 0.00 C ATOM 107 C ASN A 7 -4.452 9.878 -4.181 1.00 0.00 C ATOM 108 O ASN A 7 -3.389 9.722 -4.783 1.00 0.00 O ATOM 109 CB ASN A 7 -6.568 9.662 -5.517 1.00 0.00 C ATOM 110 CG ASN A 7 -7.277 8.659 -6.409 1.00 0.00 C ATOM 111 OD1 ASN A 7 -7.146 8.700 -7.632 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.036 7.752 -5.802 1.00 0.00 N ATOM 0 H ASN A 7 -7.357 9.043 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.293 8.047 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.309 10.271 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.975 10.337 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.537 7.055 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.117 7.753 -4.785 1.00 0.00 H new ATOM 119 N VAL A 8 -4.623 10.807 -3.239 1.00 0.00 N ATOM 120 CA VAL A 8 -3.546 11.715 -2.854 1.00 0.00 C ATOM 121 C VAL A 8 -2.410 10.956 -2.166 1.00 0.00 C ATOM 122 O VAL A 8 -1.233 11.222 -2.419 1.00 0.00 O ATOM 123 CB VAL A 8 -4.048 12.835 -1.915 1.00 0.00 C ATOM 124 CG1 VAL A 8 -2.961 13.877 -1.697 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.312 13.482 -2.470 1.00 0.00 C ATOM 0 H VAL A 8 -5.496 10.949 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.176 12.170 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.292 12.388 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.333 14.658 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.088 13.404 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.682 14.317 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.647 14.267 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.101 13.913 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.094 12.729 -2.567 1.00 0.00 H new ATOM 135 N ILE A 9 -2.769 10.007 -1.301 1.00 0.00 N ATOM 136 CA ILE A 9 -1.777 9.209 -0.582 1.00 0.00 C ATOM 137 C ILE A 9 -0.935 8.382 -1.554 1.00 0.00 C ATOM 138 O ILE A 9 0.292 8.358 -1.455 1.00 0.00 O ATOM 139 CB ILE A 9 -2.438 8.266 0.450 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.375 9.049 1.377 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.375 7.534 1.262 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.435 8.189 2.031 1.00 0.00 C ATOM 0 H ILE A 9 -3.737 9.773 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.134 9.910 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.030 7.528 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.783 9.535 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.861 9.839 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.858 6.875 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.749 6.943 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.757 8.260 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.061 8.809 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.052 7.724 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.956 7.414 2.630 1.00 0.00 H new ATOM 154 N LEU A 10 -1.601 7.711 -2.496 1.00 0.00 N ATOM 155 CA LEU A 10 -0.909 6.890 -3.488 1.00 0.00 C ATOM 156 C LEU A 10 0.003 7.746 -4.367 1.00 0.00 C ATOM 157 O LEU A 10 1.096 7.317 -4.742 1.00 0.00 O ATOM 158 CB LEU A 10 -1.918 6.137 -4.359 1.00 0.00 C ATOM 159 CG LEU A 10 -1.538 4.689 -4.695 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.718 3.757 -4.461 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.046 4.582 -6.134 1.00 0.00 C ATOM 0 H LEU A 10 -2.616 7.721 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.293 6.167 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.882 6.134 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.051 6.687 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.726 4.386 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.428 2.735 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.021 3.809 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.552 4.059 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.782 3.547 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.835 4.906 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.169 5.216 -6.267 1.00 0.00 H new ATOM 173 N LYS A 11 -0.452 8.959 -4.691 1.00 0.00 N ATOM 174 CA LYS A 11 0.325 9.878 -5.520 1.00 0.00 C ATOM 175 C LYS A 11 1.681 10.179 -4.882 1.00 0.00 C ATOM 176 O LYS A 11 2.690 10.272 -5.578 1.00 0.00 O ATOM 177 CB LYS A 11 -0.446 11.180 -5.749 1.00 0.00 C ATOM 178 CG LYS A 11 -1.337 11.155 -6.982 1.00 0.00 C ATOM 179 CD LYS A 11 -1.227 12.448 -7.779 1.00 0.00 C ATOM 180 CE LYS A 11 -2.590 12.934 -8.254 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.022 14.173 -7.544 1.00 0.00 N ATOM 0 H LYS A 11 -1.355 9.326 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 11 0.496 9.395 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.060 11.387 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.265 12.001 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.060 10.312 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.373 11.000 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.761 13.217 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.576 12.291 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.553 13.125 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.330 12.149 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.954 14.469 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.083 13.985 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.330 14.930 -7.716 1.00 0.00 H new ATOM 195 N GLU A 12 1.700 10.323 -3.554 1.00 0.00 N ATOM 196 CA GLU A 12 2.940 10.602 -2.829 1.00 0.00 C ATOM 197 C GLU A 12 3.911 9.427 -2.946 1.00 0.00 C ATOM 198 O GLU A 12 5.115 9.619 -3.121 1.00 0.00 O ATOM 199 CB GLU A 12 2.648 10.891 -1.353 1.00 0.00 C ATOM 200 CG GLU A 12 3.797 11.574 -0.626 1.00 0.00 C ATOM 201 CD GLU A 12 4.040 12.989 -1.117 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.321 13.905 -0.665 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.950 13.180 -1.952 1.00 0.00 O ATOM 0 H GLU A 12 0.873 10.251 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 12 3.400 11.483 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.760 11.520 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.415 9.954 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.584 11.596 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.706 10.987 -0.758 1.00 0.00 H new ATOM 210 N LEU A 13 3.372 8.209 -2.851 1.00 0.00 N ATOM 211 CA LEU A 13 4.182 6.996 -2.953 1.00 0.00 C ATOM 212 C LEU A 13 4.772 6.846 -4.358 1.00 0.00 C ATOM 213 O LEU A 13 5.911 6.406 -4.516 1.00 0.00 O ATOM 214 CB LEU A 13 3.341 5.761 -2.605 1.00 0.00 C ATOM 215 CG LEU A 13 2.731 5.757 -1.197 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.344 5.128 -1.215 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.641 5.022 -0.221 1.00 0.00 C ATOM 0 H LEU A 13 2.377 8.038 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 13 5.003 7.080 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.534 5.675 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.965 4.874 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 13 2.634 6.790 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.928 5.135 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.694 5.698 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.415 4.100 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.191 5.030 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.773 3.992 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.611 5.518 -0.184 1.00 0.00 H new ATOM 229 N LEU A 14 3.990 7.218 -5.374 1.00 0.00 N ATOM 230 CA LEU A 14 4.435 7.127 -6.767 1.00 0.00 C ATOM 231 C LEU A 14 5.286 8.338 -7.176 1.00 0.00 C ATOM 232 O LEU A 14 6.094 8.245 -8.100 1.00 0.00 O ATOM 233 CB LEU A 14 3.226 7.014 -7.705 1.00 0.00 C ATOM 234 CG LEU A 14 2.905 5.601 -8.200 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.445 5.502 -8.619 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.817 5.219 -9.359 1.00 0.00 C ATOM 0 H LEU A 14 3.045 7.585 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 14 5.053 6.233 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.350 7.407 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.399 7.653 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 14 3.078 4.903 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.234 4.491 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.806 5.732 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.248 6.212 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.574 4.212 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.675 5.921 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.856 5.250 -9.030 1.00 0.00 H new ATOM 248 N SER A 15 5.090 9.474 -6.498 1.00 0.00 N ATOM 249 CA SER A 15 5.829 10.702 -6.808 1.00 0.00 C ATOM 250 C SER A 15 7.343 10.497 -6.709 1.00 0.00 C ATOM 251 O SER A 15 8.037 10.460 -7.726 1.00 0.00 O ATOM 252 CB SER A 15 5.387 11.838 -5.877 1.00 0.00 C ATOM 253 OG SER A 15 6.211 12.983 -6.030 1.00 0.00 O ATOM 0 H SER A 15 4.425 9.568 -5.730 1.00 0.00 H new ATOM 0 HA SER A 15 5.599 10.971 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.351 12.102 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.423 11.497 -4.842 1.00 0.00 H new ATOM 0 HG SER A 15 5.904 13.690 -5.425 1.00 0.00 H new ATOM 259 N LYS A 16 7.848 10.365 -5.480 1.00 0.00 N ATOM 260 CA LYS A 16 9.282 10.162 -5.246 1.00 0.00 C ATOM 261 C LYS A 16 9.602 10.138 -3.751 1.00 0.00 C ATOM 262 O LYS A 16 10.412 9.328 -3.300 1.00 0.00 O ATOM 263 CB LYS A 16 10.126 11.246 -5.936 1.00 0.00 C ATOM 264 CG LYS A 16 9.566 12.657 -5.809 1.00 0.00 C ATOM 265 CD LYS A 16 10.678 13.682 -5.625 1.00 0.00 C ATOM 266 CE LYS A 16 10.495 14.887 -6.536 1.00 0.00 C ATOM 267 NZ LYS A 16 11.305 14.775 -7.784 1.00 0.00 N ATOM 0 H LYS A 16 7.285 10.395 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 16 9.538 9.195 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.132 11.228 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.218 10.999 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.987 12.902 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.882 12.704 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.699 14.012 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.641 13.214 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.441 14.988 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.779 15.793 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.150 15.617 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.313 14.705 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.017 13.925 -8.310 1.00 0.00 H new ATOM 281 N LYS A 17 8.963 11.030 -2.988 1.00 0.00 N ATOM 282 CA LYS A 17 9.177 11.107 -1.542 1.00 0.00 C ATOM 283 C LYS A 17 9.029 9.733 -0.892 1.00 0.00 C ATOM 284 O LYS A 17 9.900 9.300 -0.137 1.00 0.00 O ATOM 285 CB LYS A 17 8.187 12.087 -0.910 1.00 0.00 C ATOM 286 CG LYS A 17 8.748 13.486 -0.727 1.00 0.00 C ATOM 287 CD LYS A 17 7.717 14.419 -0.113 1.00 0.00 C ATOM 288 CE LYS A 17 8.201 15.861 -0.099 1.00 0.00 C ATOM 289 NZ LYS A 17 8.156 16.480 -1.454 1.00 0.00 N ATOM 0 H LYS A 17 8.293 11.709 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 17 10.193 11.463 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.295 12.141 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.875 11.700 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.631 13.445 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.070 13.880 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.786 14.353 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.497 14.099 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.585 16.443 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.222 15.897 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.413 17.485 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.828 15.993 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.195 16.394 -1.843 1.00 0.00 H new ATOM 303 N HIS A 18 7.922 9.052 -1.194 1.00 0.00 N ATOM 304 CA HIS A 18 7.662 7.723 -0.643 1.00 0.00 C ATOM 305 C HIS A 18 7.815 6.645 -1.717 1.00 0.00 C ATOM 306 O HIS A 18 7.207 5.575 -1.629 1.00 0.00 O ATOM 307 CB HIS A 18 6.256 7.665 -0.043 1.00 0.00 C ATOM 308 CG HIS A 18 6.136 8.346 1.284 1.00 0.00 C ATOM 309 ND1 HIS A 18 6.794 9.517 1.596 1.00 0.00 N ATOM 310 CD2 HIS A 18 5.420 8.016 2.383 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.488 9.877 2.827 1.00 0.00 C ATOM 312 NE2 HIS A 18 5.653 8.985 3.328 1.00 0.00 N ATOM 0 H HIS A 18 7.193 9.399 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 18 8.394 7.533 0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.555 8.123 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.961 6.621 0.067 1.00 0.00 H new ATOM 0 HD1 HIS A 18 7.420 10.026 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.783 7.151 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 18 6.858 10.753 3.339 1.00 0.00 H new ATOM 321 N ALA A 19 8.637 6.930 -2.728 1.00 0.00 N ATOM 322 CA ALA A 19 8.875 5.986 -3.814 1.00 0.00 C ATOM 323 C ALA A 19 9.794 4.854 -3.370 1.00 0.00 C ATOM 324 O ALA A 19 9.670 3.730 -3.855 1.00 0.00 O ATOM 325 CB ALA A 19 9.464 6.698 -5.021 1.00 0.00 C ATOM 0 H ALA A 19 9.148 7.808 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 19 7.915 5.553 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.635 5.978 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.770 7.465 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.410 7.163 -4.743 1.00 0.00 H new ATOM 331 N ALA A 20 10.712 5.156 -2.446 1.00 0.00 N ATOM 332 CA ALA A 20 11.656 4.160 -1.932 1.00 0.00 C ATOM 333 C ALA A 20 10.946 2.876 -1.500 1.00 0.00 C ATOM 334 O ALA A 20 11.497 1.784 -1.635 1.00 0.00 O ATOM 335 CB ALA A 20 12.460 4.730 -0.772 1.00 0.00 C ATOM 0 H ALA A 20 10.821 6.085 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 20 12.336 3.908 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.155 3.975 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.018 5.603 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.783 5.021 0.031 1.00 0.00 H new ATOM 341 N TYR A 21 9.728 3.018 -0.979 1.00 0.00 N ATOM 342 CA TYR A 21 8.940 1.869 -0.531 1.00 0.00 C ATOM 343 C TYR A 21 7.889 1.467 -1.575 1.00 0.00 C ATOM 344 O TYR A 21 7.317 0.377 -1.501 1.00 0.00 O ATOM 345 CB TYR A 21 8.249 2.182 0.803 1.00 0.00 C ATOM 346 CG TYR A 21 9.116 2.944 1.784 1.00 0.00 C ATOM 347 CD1 TYR A 21 9.271 4.322 1.682 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.784 2.284 2.806 1.00 0.00 C ATOM 349 CE1 TYR A 21 10.067 5.018 2.569 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.583 2.973 3.696 1.00 0.00 C ATOM 351 CZ TYR A 21 10.721 4.339 3.573 1.00 0.00 C ATOM 352 OH TYR A 21 11.521 5.026 4.455 1.00 0.00 O ATOM 0 H TYR A 21 9.264 3.918 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 21 9.626 1.033 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.347 2.761 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.933 1.247 1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.760 4.857 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 21 9.677 1.214 2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.176 6.088 2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.098 2.444 4.485 1.00 0.00 H new ATOM 0 HH TYR A 21 11.179 5.938 4.565 1.00 0.00 H new ATOM 362 N ALA A 22 7.632 2.354 -2.543 1.00 0.00 N ATOM 363 CA ALA A 22 6.646 2.090 -3.589 1.00 0.00 C ATOM 364 C ALA A 22 7.183 1.146 -4.667 1.00 0.00 C ATOM 365 O ALA A 22 6.466 0.251 -5.113 1.00 0.00 O ATOM 366 CB ALA A 22 6.184 3.396 -4.223 1.00 0.00 C ATOM 0 H ALA A 22 8.095 3.260 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 22 5.798 1.596 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.450 3.183 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.732 4.031 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.039 3.910 -4.662 1.00 0.00 H new ATOM 372 N TRP A 23 8.435 1.348 -5.095 1.00 0.00 N ATOM 373 CA TRP A 23 9.025 0.501 -6.136 1.00 0.00 C ATOM 374 C TRP A 23 9.279 -0.941 -5.662 1.00 0.00 C ATOM 375 O TRP A 23 9.092 -1.876 -6.443 1.00 0.00 O ATOM 376 CB TRP A 23 10.318 1.118 -6.694 1.00 0.00 C ATOM 377 CG TRP A 23 11.457 1.129 -5.727 1.00 0.00 C ATOM 378 CD1 TRP A 23 11.836 2.162 -4.926 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.370 0.058 -5.463 1.00 0.00 C ATOM 380 NE1 TRP A 23 12.913 1.796 -4.161 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.268 0.511 -4.479 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.515 -1.239 -5.962 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.290 -0.290 -3.979 1.00 0.00 C ATOM 384 CZ3 TRP A 23 13.531 -2.033 -5.467 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.410 -1.555 -4.487 1.00 0.00 C ATOM 0 H TRP A 23 9.051 2.080 -4.742 1.00 0.00 H new ATOM 0 HA TRP A 23 8.287 0.450 -6.937 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.617 0.565 -7.584 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.113 2.141 -7.009 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.358 3.130 -4.897 1.00 0.00 H new ATOM 0 HE1 TRP A 23 13.375 2.384 -3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 23 11.845 -1.614 -6.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 14.964 0.073 -3.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 13.650 -3.039 -5.842 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.199 -2.198 -4.125 1.00 0.00 H new ATOM 396 N PRO A 24 9.702 -1.167 -4.391 1.00 0.00 N ATOM 397 CA PRO A 24 9.957 -2.523 -3.888 1.00 0.00 C ATOM 398 C PRO A 24 8.678 -3.355 -3.797 1.00 0.00 C ATOM 399 O PRO A 24 8.686 -4.550 -4.094 1.00 0.00 O ATOM 400 CB PRO A 24 10.556 -2.298 -2.498 1.00 0.00 C ATOM 401 CG PRO A 24 10.079 -0.952 -2.089 1.00 0.00 C ATOM 402 CD PRO A 24 9.960 -0.148 -3.353 1.00 0.00 C ATOM 0 HA PRO A 24 10.615 -3.082 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.225 -3.064 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.645 -2.340 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.119 -1.018 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.778 -0.485 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.148 0.577 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.872 0.412 -3.559 1.00 0.00 H new ATOM 410 N PHE A 25 7.578 -2.713 -3.396 1.00 0.00 N ATOM 411 CA PHE A 25 6.291 -3.396 -3.281 1.00 0.00 C ATOM 412 C PHE A 25 5.461 -3.260 -4.566 1.00 0.00 C ATOM 413 O PHE A 25 4.341 -3.772 -4.641 1.00 0.00 O ATOM 414 CB PHE A 25 5.504 -2.851 -2.085 1.00 0.00 C ATOM 415 CG PHE A 25 5.961 -3.404 -0.761 1.00 0.00 C ATOM 416 CD1 PHE A 25 5.738 -4.734 -0.435 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.614 -2.595 0.157 1.00 0.00 C ATOM 418 CE1 PHE A 25 6.156 -5.245 0.780 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.033 -3.101 1.374 1.00 0.00 C ATOM 420 CZ PHE A 25 6.804 -4.428 1.685 1.00 0.00 C ATOM 0 H PHE A 25 7.554 -1.724 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 25 6.493 -4.456 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.594 -1.765 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.447 -3.081 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.232 -5.378 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.797 -1.558 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.976 -6.282 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.539 -2.460 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.131 -4.825 2.634 1.00 0.00 H new ATOM 430 N TYR A 26 6.009 -2.569 -5.574 1.00 0.00 N ATOM 431 CA TYR A 26 5.312 -2.374 -6.845 1.00 0.00 C ATOM 432 C TYR A 26 5.229 -3.679 -7.636 1.00 0.00 C ATOM 433 O TYR A 26 4.135 -4.162 -7.936 1.00 0.00 O ATOM 434 CB TYR A 26 6.017 -1.304 -7.685 1.00 0.00 C ATOM 435 CG TYR A 26 5.069 -0.374 -8.410 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.207 -0.853 -9.388 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.041 0.984 -8.117 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.343 -0.006 -10.054 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.180 1.838 -8.778 1.00 0.00 C ATOM 440 CZ TYR A 26 3.333 1.338 -9.747 1.00 0.00 C ATOM 441 OH TYR A 26 2.473 2.184 -10.412 1.00 0.00 O ATOM 0 H TYR A 26 6.932 -2.137 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 26 4.299 -2.042 -6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.664 -0.714 -7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.660 -1.794 -8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.212 -1.905 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.703 1.378 -7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.679 -0.395 -10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.169 2.891 -8.538 1.00 0.00 H new ATOM 0 HH TYR A 26 1.771 2.486 -9.798 1.00 0.00 H new ATOM 451 N LYS A 27 6.390 -4.241 -7.975 1.00 0.00 N ATOM 452 CA LYS A 27 6.445 -5.487 -8.733 1.00 0.00 C ATOM 453 C LYS A 27 6.486 -6.694 -7.799 1.00 0.00 C ATOM 454 O LYS A 27 7.335 -6.770 -6.908 1.00 0.00 O ATOM 455 CB LYS A 27 7.668 -5.503 -9.656 1.00 0.00 C ATOM 456 CG LYS A 27 7.499 -6.399 -10.874 1.00 0.00 C ATOM 457 CD LYS A 27 8.545 -6.102 -11.937 1.00 0.00 C ATOM 458 CE LYS A 27 8.872 -7.338 -12.761 1.00 0.00 C ATOM 459 NZ LYS A 27 9.828 -7.036 -13.864 1.00 0.00 N ATOM 0 H LYS A 27 7.302 -3.852 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 27 5.542 -5.547 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.875 -4.486 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.537 -5.835 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.574 -7.443 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.503 -6.259 -11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.183 -5.311 -12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.453 -5.730 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.297 -8.104 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.953 -7.748 -13.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.024 -7.905 -14.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.413 -6.324 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.715 -6.669 -13.464 1.00 0.00 H new ATOM 473 N PRO A 28 5.566 -7.659 -7.992 1.00 0.00 N ATOM 474 CA PRO A 28 5.503 -8.869 -7.165 1.00 0.00 C ATOM 475 C PRO A 28 6.600 -9.872 -7.517 1.00 0.00 C ATOM 476 O PRO A 28 7.484 -9.583 -8.327 1.00 0.00 O ATOM 477 CB PRO A 28 4.127 -9.444 -7.499 1.00 0.00 C ATOM 478 CG PRO A 28 3.866 -9.000 -8.896 1.00 0.00 C ATOM 479 CD PRO A 28 4.517 -7.650 -9.035 1.00 0.00 C ATOM 0 HA PRO A 28 5.649 -8.652 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.122 -10.531 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.364 -9.071 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.281 -9.708 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.795 -8.938 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.942 -7.510 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.802 -6.842 -8.877 1.00 0.00 H new ATOM 487 N VAL A 29 6.528 -11.054 -6.911 1.00 0.00 N ATOM 488 CA VAL A 29 7.501 -12.105 -7.166 1.00 0.00 C ATOM 489 C VAL A 29 6.955 -13.084 -8.198 1.00 0.00 C ATOM 490 O VAL A 29 6.241 -14.028 -7.856 1.00 0.00 O ATOM 491 CB VAL A 29 7.870 -12.871 -5.878 1.00 0.00 C ATOM 492 CG1 VAL A 29 9.029 -13.825 -6.135 1.00 0.00 C ATOM 493 CG2 VAL A 29 8.207 -11.902 -4.750 1.00 0.00 C ATOM 0 H VAL A 29 5.803 -11.306 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 29 8.404 -11.628 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 29 7.005 -13.459 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.274 -14.356 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.745 -14.544 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.898 -13.259 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.464 -12.464 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.053 -11.281 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.345 -11.267 -4.546 1.00 0.00 H new ATOM 503 N ASP A 30 7.286 -12.841 -9.462 1.00 0.00 N ATOM 504 CA ASP A 30 6.827 -13.691 -10.556 1.00 0.00 C ATOM 505 C ASP A 30 7.494 -15.064 -10.494 1.00 0.00 C ATOM 506 O ASP A 30 8.461 -15.329 -11.208 1.00 0.00 O ATOM 507 CB ASP A 30 7.106 -13.023 -11.907 1.00 0.00 C ATOM 508 CG ASP A 30 6.389 -11.695 -12.058 1.00 0.00 C ATOM 509 OD1 ASP A 30 5.140 -11.694 -12.096 1.00 0.00 O ATOM 510 OD2 ASP A 30 7.076 -10.655 -12.137 1.00 0.00 O ATOM 0 H ASP A 30 7.872 -12.060 -9.755 1.00 0.00 H new ATOM 0 HA ASP A 30 5.751 -13.829 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.179 -12.867 -12.017 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.797 -13.692 -12.710 1.00 0.00 H new ATOM 515 N ALA A 31 6.967 -15.932 -9.630 1.00 0.00 N ATOM 516 CA ALA A 31 7.499 -17.283 -9.459 1.00 0.00 C ATOM 517 C ALA A 31 7.526 -18.052 -10.780 1.00 0.00 C ATOM 518 O ALA A 31 8.417 -18.869 -11.006 1.00 0.00 O ATOM 519 CB ALA A 31 6.681 -18.045 -8.428 1.00 0.00 C ATOM 0 H ALA A 31 6.167 -15.721 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 31 8.526 -17.190 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.088 -19.049 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.723 -17.523 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.645 -18.110 -8.761 1.00 0.00 H new ATOM 525 N SER A 32 6.547 -17.788 -11.649 1.00 0.00 N ATOM 526 CA SER A 32 6.471 -18.462 -12.946 1.00 0.00 C ATOM 527 C SER A 32 7.682 -18.119 -13.815 1.00 0.00 C ATOM 528 O SER A 32 8.208 -18.978 -14.522 1.00 0.00 O ATOM 529 CB SER A 32 5.180 -18.084 -13.680 1.00 0.00 C ATOM 530 OG SER A 32 4.628 -19.206 -14.345 1.00 0.00 O ATOM 0 H SER A 32 5.799 -17.115 -11.479 1.00 0.00 H new ATOM 0 HA SER A 32 6.470 -19.536 -12.760 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.456 -17.686 -12.969 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.386 -17.294 -14.402 1.00 0.00 H new ATOM 0 HG SER A 32 3.804 -18.941 -14.805 1.00 0.00 H new ATOM 536 N ALA A 33 8.116 -16.859 -13.755 1.00 0.00 N ATOM 537 CA ALA A 33 9.264 -16.401 -14.535 1.00 0.00 C ATOM 538 C ALA A 33 10.576 -16.620 -13.779 1.00 0.00 C ATOM 539 O ALA A 33 11.553 -17.106 -14.350 1.00 0.00 O ATOM 540 CB ALA A 33 9.102 -14.931 -14.899 1.00 0.00 C ATOM 0 H ALA A 33 7.689 -16.138 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 33 9.304 -16.991 -15.450 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.964 -14.603 -15.480 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.195 -14.800 -15.490 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.031 -14.336 -13.988 1.00 0.00 H new ATOM 546 N LEU A 34 10.594 -16.256 -12.497 1.00 0.00 N ATOM 547 CA LEU A 34 11.789 -16.411 -11.669 1.00 0.00 C ATOM 548 C LEU A 34 12.036 -17.880 -11.324 1.00 0.00 C ATOM 549 O LEU A 34 12.992 -18.486 -11.809 1.00 0.00 O ATOM 550 CB LEU A 34 11.660 -15.589 -10.382 1.00 0.00 C ATOM 551 CG LEU A 34 12.383 -14.240 -10.396 1.00 0.00 C ATOM 552 CD1 LEU A 34 11.566 -13.189 -9.658 1.00 0.00 C ATOM 553 CD2 LEU A 34 13.771 -14.374 -9.783 1.00 0.00 C ATOM 0 H LEU A 34 9.794 -15.852 -12.010 1.00 0.00 H new ATOM 0 HA LEU A 34 12.640 -16.045 -12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.602 -15.414 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.045 -16.181 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 34 12.496 -13.918 -11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.095 -12.236 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.596 -13.076 -10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.420 -13.501 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.272 -13.406 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.682 -14.718 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.354 -15.094 -10.357 1.00 0.00 H new ATOM 565 N GLY A 35 11.168 -18.444 -10.480 1.00 0.00 N ATOM 566 CA GLY A 35 11.305 -19.836 -10.078 1.00 0.00 C ATOM 567 C GLY A 35 11.102 -20.038 -8.584 1.00 0.00 C ATOM 568 O GLY A 35 11.992 -20.536 -7.895 1.00 0.00 O ATOM 0 H GLY A 35 10.371 -17.959 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.581 -20.441 -10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.295 -20.195 -10.358 1.00 0.00 H new ATOM 572 N LEU A 36 9.925 -19.651 -8.087 1.00 0.00 N ATOM 573 CA LEU A 36 9.599 -19.789 -6.666 1.00 0.00 C ATOM 574 C LEU A 36 8.253 -20.502 -6.482 1.00 0.00 C ATOM 575 O LEU A 36 7.250 -19.873 -6.137 1.00 0.00 O ATOM 576 CB LEU A 36 9.554 -18.405 -5.998 1.00 0.00 C ATOM 577 CG LEU A 36 10.915 -17.781 -5.662 1.00 0.00 C ATOM 578 CD1 LEU A 36 11.753 -18.736 -4.825 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.654 -17.384 -6.934 1.00 0.00 C ATOM 0 H LEU A 36 9.180 -19.239 -8.649 1.00 0.00 H new ATOM 0 HA LEU A 36 10.376 -20.391 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.015 -17.723 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.975 -18.485 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 36 10.742 -16.879 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.714 -18.274 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.230 -18.960 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.917 -19.659 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.616 -16.944 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.815 -18.267 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.060 -16.657 -7.488 1.00 0.00 H new ATOM 591 N HIS A 37 8.235 -21.817 -6.719 1.00 0.00 N ATOM 592 CA HIS A 37 7.005 -22.605 -6.583 1.00 0.00 C ATOM 593 C HIS A 37 6.474 -22.575 -5.149 1.00 0.00 C ATOM 594 O HIS A 37 5.282 -22.349 -4.932 1.00 0.00 O ATOM 595 CB HIS A 37 7.234 -24.054 -7.022 1.00 0.00 C ATOM 596 CG HIS A 37 6.009 -24.704 -7.587 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.558 -24.472 -8.870 1.00 0.00 N ATOM 598 CD2 HIS A 37 5.142 -25.589 -7.040 1.00 0.00 C ATOM 599 CE1 HIS A 37 4.468 -25.186 -9.088 1.00 0.00 C ATOM 600 NE2 HIS A 37 4.195 -25.871 -7.993 1.00 0.00 N ATOM 0 H HIS A 37 9.052 -22.356 -7.004 1.00 0.00 H new ATOM 0 HA HIS A 37 6.258 -22.151 -7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.027 -24.079 -7.769 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.583 -24.634 -6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.187 -25.997 -6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.898 -25.206 -10.005 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.407 -26.508 -7.874 1.00 0.00 H new ATOM 609 N ASP A 38 7.361 -22.802 -4.176 1.00 0.00 N ATOM 610 CA ASP A 38 6.976 -22.795 -2.762 1.00 0.00 C ATOM 611 C ASP A 38 6.368 -21.450 -2.359 1.00 0.00 C ATOM 612 O ASP A 38 5.415 -21.406 -1.583 1.00 0.00 O ATOM 613 CB ASP A 38 8.182 -23.112 -1.869 1.00 0.00 C ATOM 614 CG ASP A 38 9.342 -22.161 -2.091 1.00 0.00 C ATOM 615 OD1 ASP A 38 10.130 -22.395 -3.031 1.00 0.00 O ATOM 616 OD2 ASP A 38 9.458 -21.178 -1.330 1.00 0.00 O ATOM 0 H ASP A 38 8.349 -22.993 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 38 6.221 -23.569 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.876 -23.068 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.513 -24.133 -2.061 1.00 0.00 H new ATOM 621 N TYR A 39 6.920 -20.355 -2.895 1.00 0.00 N ATOM 622 CA TYR A 39 6.420 -19.010 -2.592 1.00 0.00 C ATOM 623 C TYR A 39 4.912 -18.918 -2.840 1.00 0.00 C ATOM 624 O TYR A 39 4.192 -18.257 -2.090 1.00 0.00 O ATOM 625 CB TYR A 39 7.155 -17.962 -3.438 1.00 0.00 C ATOM 626 CG TYR A 39 6.832 -16.526 -3.068 1.00 0.00 C ATOM 627 CD1 TYR A 39 5.745 -15.871 -3.632 1.00 0.00 C ATOM 628 CD2 TYR A 39 7.617 -15.827 -2.158 1.00 0.00 C ATOM 629 CE1 TYR A 39 5.448 -14.562 -3.301 1.00 0.00 C ATOM 630 CE2 TYR A 39 7.327 -14.518 -1.821 1.00 0.00 C ATOM 631 CZ TYR A 39 6.241 -13.890 -2.395 1.00 0.00 C ATOM 632 OH TYR A 39 5.949 -12.586 -2.062 1.00 0.00 O ATOM 0 H TYR A 39 7.711 -20.374 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 39 6.609 -18.811 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.229 -18.119 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.907 -18.120 -4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.121 -16.393 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.468 -16.315 -1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.599 -14.068 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.947 -13.990 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 39 6.604 -12.260 -1.410 1.00 0.00 H new ATOM 642 N HIS A 40 4.441 -19.589 -3.892 1.00 0.00 N ATOM 643 CA HIS A 40 3.018 -19.584 -4.231 1.00 0.00 C ATOM 644 C HIS A 40 2.226 -20.507 -3.303 1.00 0.00 C ATOM 645 O HIS A 40 1.076 -20.218 -2.969 1.00 0.00 O ATOM 646 CB HIS A 40 2.812 -20.009 -5.687 1.00 0.00 C ATOM 647 CG HIS A 40 1.518 -19.532 -6.274 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.401 -20.334 -6.388 1.00 0.00 N ATOM 649 CD2 HIS A 40 1.169 -18.330 -6.790 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.578 -19.646 -6.949 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.137 -18.428 -7.202 1.00 0.00 N ATOM 0 H HIS A 40 5.023 -20.141 -4.522 1.00 0.00 H new ATOM 0 HA HIS A 40 2.649 -18.567 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.637 -19.627 -6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.850 -21.097 -5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.800 -17.457 -6.864 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.569 -20.017 -7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.679 -17.680 -7.634 1.00 0.00 H new ATOM 660 N ASP A 41 2.841 -21.618 -2.893 1.00 0.00 N ATOM 661 CA ASP A 41 2.180 -22.576 -2.006 1.00 0.00 C ATOM 662 C ASP A 41 2.068 -22.036 -0.580 1.00 0.00 C ATOM 663 O ASP A 41 1.034 -22.200 0.069 1.00 0.00 O ATOM 664 CB ASP A 41 2.930 -23.913 -2.001 1.00 0.00 C ATOM 665 CG ASP A 41 2.569 -24.778 -3.193 1.00 0.00 C ATOM 666 OD1 ASP A 41 1.601 -25.561 -3.086 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.252 -24.671 -4.233 1.00 0.00 O ATOM 0 H ASP A 41 3.791 -21.875 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 41 1.172 -22.734 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.004 -23.725 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.702 -24.452 -1.081 1.00 0.00 H new ATOM 672 N ILE A 42 3.133 -21.395 -0.095 1.00 0.00 N ATOM 673 CA ILE A 42 3.144 -20.840 1.259 1.00 0.00 C ATOM 674 C ILE A 42 2.136 -19.701 1.405 1.00 0.00 C ATOM 675 O ILE A 42 1.269 -19.739 2.279 1.00 0.00 O ATOM 676 CB ILE A 42 4.544 -20.317 1.661 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.614 -21.392 1.443 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.541 -19.861 3.114 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.968 -20.828 1.068 1.00 0.00 C ATOM 0 H ILE A 42 3.996 -21.248 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 42 2.868 -21.660 1.922 1.00 0.00 H new ATOM 0 HB ILE A 42 4.784 -19.465 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.715 -21.983 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.281 -22.071 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.532 -19.496 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.812 -19.061 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.276 -20.700 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.676 -21.645 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.882 -20.261 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.322 -20.172 1.863 1.00 0.00 H new ATOM 691 N ILE A 43 2.259 -18.685 0.551 1.00 0.00 N ATOM 692 CA ILE A 43 1.361 -17.534 0.598 1.00 0.00 C ATOM 693 C ILE A 43 -0.052 -17.915 0.153 1.00 0.00 C ATOM 694 O ILE A 43 -1.017 -17.698 0.888 1.00 0.00 O ATOM 695 CB ILE A 43 1.878 -16.364 -0.277 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.345 -16.047 0.050 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.011 -15.126 -0.084 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.592 -15.701 1.506 1.00 0.00 C ATOM 0 H ILE A 43 2.970 -18.637 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 43 1.332 -17.204 1.636 1.00 0.00 H new ATOM 0 HB ILE A 43 1.817 -16.669 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.960 -16.906 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.673 -15.214 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.390 -14.316 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.016 -15.353 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.038 -14.822 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.651 -15.490 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.006 -14.823 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.297 -16.541 2.135 1.00 0.00 H new ATOM 710 N LYS A 44 -0.162 -18.476 -1.057 1.00 0.00 N ATOM 711 CA LYS A 44 -1.446 -18.894 -1.633 1.00 0.00 C ATOM 712 C LYS A 44 -2.239 -17.709 -2.200 1.00 0.00 C ATOM 713 O LYS A 44 -3.033 -17.883 -3.127 1.00 0.00 O ATOM 714 CB LYS A 44 -2.284 -19.645 -0.598 1.00 0.00 C ATOM 715 CG LYS A 44 -3.035 -20.838 -1.175 1.00 0.00 C ATOM 716 CD LYS A 44 -2.358 -22.155 -0.818 1.00 0.00 C ATOM 717 CE LYS A 44 -3.323 -23.328 -0.919 1.00 0.00 C ATOM 718 NZ LYS A 44 -4.317 -23.340 0.194 1.00 0.00 N ATOM 0 H LYS A 44 0.637 -18.653 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.221 -19.564 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.632 -19.990 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.001 -18.955 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.058 -20.841 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.094 -20.741 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.511 -22.322 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.960 -22.097 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.849 -23.282 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.760 -24.261 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.805 -24.258 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.827 -23.189 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.013 -22.581 0.046 1.00 0.00 H new ATOM 732 N HIS A 45 -2.022 -16.511 -1.651 1.00 0.00 N ATOM 733 CA HIS A 45 -2.715 -15.310 -2.114 1.00 0.00 C ATOM 734 C HIS A 45 -1.743 -14.128 -2.218 1.00 0.00 C ATOM 735 O HIS A 45 -1.843 -13.157 -1.463 1.00 0.00 O ATOM 736 CB HIS A 45 -3.870 -14.970 -1.165 1.00 0.00 C ATOM 737 CG HIS A 45 -5.180 -14.758 -1.860 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.835 -13.543 -1.883 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.963 -15.617 -2.556 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.963 -13.666 -2.560 1.00 0.00 C ATOM 741 NE2 HIS A 45 -7.064 -14.913 -2.980 1.00 0.00 N ATOM 0 H HIS A 45 -1.370 -16.349 -0.884 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.120 -15.505 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.981 -15.775 -0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.616 -14.069 -0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.760 -16.661 -2.743 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.681 -12.879 -2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.834 -15.293 -3.530 1.00 0.00 H new ATOM 750 N PRO A 46 -0.781 -14.199 -3.161 1.00 0.00 N ATOM 751 CA PRO A 46 0.215 -13.138 -3.364 1.00 0.00 C ATOM 752 C PRO A 46 -0.408 -11.840 -3.876 1.00 0.00 C ATOM 753 O PRO A 46 -1.003 -11.809 -4.955 1.00 0.00 O ATOM 754 CB PRO A 46 1.165 -13.729 -4.411 1.00 0.00 C ATOM 755 CG PRO A 46 0.357 -14.760 -5.120 1.00 0.00 C ATOM 756 CD PRO A 46 -0.587 -15.321 -4.097 1.00 0.00 C ATOM 0 HA PRO A 46 0.708 -12.864 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.520 -12.963 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.045 -14.170 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.189 -14.322 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.996 -15.541 -5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.528 -15.635 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.166 -16.193 -3.597 1.00 0.00 H new ATOM 764 N MET A 47 -0.266 -10.773 -3.091 1.00 0.00 N ATOM 765 CA MET A 47 -0.811 -9.467 -3.455 1.00 0.00 C ATOM 766 C MET A 47 0.306 -8.439 -3.613 1.00 0.00 C ATOM 767 O MET A 47 1.306 -8.483 -2.895 1.00 0.00 O ATOM 768 CB MET A 47 -1.813 -8.992 -2.400 1.00 0.00 C ATOM 769 CG MET A 47 -3.168 -9.674 -2.499 1.00 0.00 C ATOM 770 SD MET A 47 -3.991 -9.360 -4.072 1.00 0.00 S ATOM 771 CE MET A 47 -4.626 -7.709 -3.798 1.00 0.00 C ATOM 0 H MET A 47 0.224 -10.788 -2.196 1.00 0.00 H new ATOM 0 HA MET A 47 -1.326 -9.570 -4.410 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.397 -9.171 -1.409 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.949 -7.915 -2.499 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.040 -10.749 -2.369 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.805 -9.328 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.706 -7.187 -4.752 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.610 -7.770 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.948 -7.163 -3.142 1.00 0.00 H new ATOM 781 N ASP A 48 0.135 -7.525 -4.567 1.00 0.00 N ATOM 782 CA ASP A 48 1.137 -6.493 -4.834 1.00 0.00 C ATOM 783 C ASP A 48 0.482 -5.182 -5.267 1.00 0.00 C ATOM 784 O ASP A 48 -0.689 -5.159 -5.652 1.00 0.00 O ATOM 785 CB ASP A 48 2.094 -6.977 -5.923 1.00 0.00 C ATOM 786 CG ASP A 48 1.349 -7.532 -7.121 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.010 -8.732 -7.106 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.085 -6.761 -8.065 1.00 0.00 O ATOM 0 H ASP A 48 -0.688 -7.478 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 48 1.689 -6.307 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.730 -6.151 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.750 -7.746 -5.515 1.00 0.00 H new ATOM 793 N LEU A 49 1.250 -4.091 -5.211 1.00 0.00 N ATOM 794 CA LEU A 49 0.750 -2.771 -5.603 1.00 0.00 C ATOM 795 C LEU A 49 0.259 -2.763 -7.052 1.00 0.00 C ATOM 796 O LEU A 49 -0.705 -2.072 -7.376 1.00 0.00 O ATOM 797 CB LEU A 49 1.831 -1.701 -5.421 1.00 0.00 C ATOM 798 CG LEU A 49 1.321 -0.344 -4.924 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.459 0.473 -4.331 1.00 0.00 C ATOM 800 CD2 LEU A 49 0.642 0.421 -6.053 1.00 0.00 C ATOM 0 H LEU A 49 2.221 -4.096 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.093 -2.542 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.575 -2.073 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.340 -1.554 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 49 0.584 -0.522 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.076 1.433 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.896 -0.068 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.222 0.640 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.287 1.382 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.355 0.587 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.203 -0.157 -6.428 1.00 0.00 H new ATOM 812 N SER A 50 0.922 -3.532 -7.920 1.00 0.00 N ATOM 813 CA SER A 50 0.536 -3.601 -9.331 1.00 0.00 C ATOM 814 C SER A 50 -0.907 -4.082 -9.481 1.00 0.00 C ATOM 815 O SER A 50 -1.655 -3.568 -10.314 1.00 0.00 O ATOM 816 CB SER A 50 1.479 -4.524 -10.109 1.00 0.00 C ATOM 817 OG SER A 50 2.277 -3.785 -11.018 1.00 0.00 O ATOM 0 H SER A 50 1.724 -4.112 -7.672 1.00 0.00 H new ATOM 0 HA SER A 50 0.611 -2.595 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.120 -5.065 -9.413 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.898 -5.269 -10.652 1.00 0.00 H new ATOM 0 HG SER A 50 2.872 -4.395 -11.502 1.00 0.00 H new ATOM 823 N THR A 51 -1.295 -5.065 -8.669 1.00 0.00 N ATOM 824 CA THR A 51 -2.653 -5.604 -8.713 1.00 0.00 C ATOM 825 C THR A 51 -3.650 -4.612 -8.116 1.00 0.00 C ATOM 826 O THR A 51 -4.744 -4.421 -8.650 1.00 0.00 O ATOM 827 CB THR A 51 -2.723 -6.938 -7.962 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.810 -7.871 -8.512 1.00 0.00 O ATOM 829 CG2 THR A 51 -4.097 -7.575 -7.993 1.00 0.00 C ATOM 0 H THR A 51 -0.690 -5.503 -7.975 1.00 0.00 H new ATOM 0 HA THR A 51 -2.918 -5.773 -9.757 1.00 0.00 H new ATOM 0 HB THR A 51 -2.474 -6.698 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.896 -7.531 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.074 -8.516 -7.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.820 -6.902 -7.532 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.386 -7.766 -9.026 1.00 0.00 H new ATOM 837 N VAL A 52 -3.260 -3.976 -7.011 1.00 0.00 N ATOM 838 CA VAL A 52 -4.114 -2.996 -6.344 1.00 0.00 C ATOM 839 C VAL A 52 -4.278 -1.738 -7.201 1.00 0.00 C ATOM 840 O VAL A 52 -5.344 -1.118 -7.208 1.00 0.00 O ATOM 841 CB VAL A 52 -3.553 -2.596 -4.961 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.553 -1.732 -4.206 1.00 0.00 C ATOM 843 CG2 VAL A 52 -3.185 -3.829 -4.146 1.00 0.00 C ATOM 0 H VAL A 52 -2.357 -4.123 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.086 -3.470 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.646 -2.013 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.139 -1.461 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.757 -0.827 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.479 -2.288 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.793 -3.521 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.072 -4.446 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.427 -4.404 -4.678 1.00 0.00 H new ATOM 853 N LYS A 53 -3.217 -1.369 -7.926 1.00 0.00 N ATOM 854 CA LYS A 53 -3.239 -0.187 -8.790 1.00 0.00 C ATOM 855 C LYS A 53 -4.355 -0.289 -9.828 1.00 0.00 C ATOM 856 O LYS A 53 -5.064 0.683 -10.084 1.00 0.00 O ATOM 857 CB LYS A 53 -1.888 -0.011 -9.494 1.00 0.00 C ATOM 858 CG LYS A 53 -1.733 1.325 -10.210 1.00 0.00 C ATOM 859 CD LYS A 53 -2.271 1.266 -11.635 1.00 0.00 C ATOM 860 CE LYS A 53 -1.825 2.467 -12.460 1.00 0.00 C ATOM 861 NZ LYS A 53 -0.339 2.610 -12.499 1.00 0.00 N ATOM 0 H LYS A 53 -2.331 -1.874 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.429 0.683 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.090 -0.112 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.759 -0.816 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.261 2.100 -9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.680 1.608 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.929 0.349 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.360 1.226 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.205 2.367 -13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.264 3.374 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.065 3.157 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.015 3.105 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.099 1.668 -12.541 1.00 0.00 H new ATOM 875 N ARG A 54 -4.512 -1.472 -10.422 1.00 0.00 N ATOM 876 CA ARG A 54 -5.552 -1.687 -11.424 1.00 0.00 C ATOM 877 C ARG A 54 -6.943 -1.521 -10.807 1.00 0.00 C ATOM 878 O ARG A 54 -7.844 -0.965 -11.434 1.00 0.00 O ATOM 879 CB ARG A 54 -5.418 -3.079 -12.052 1.00 0.00 C ATOM 880 CG ARG A 54 -4.462 -3.125 -13.236 1.00 0.00 C ATOM 881 CD ARG A 54 -3.371 -4.168 -13.036 1.00 0.00 C ATOM 882 NE ARG A 54 -2.218 -3.930 -13.904 1.00 0.00 N ATOM 883 CZ ARG A 54 -1.323 -2.957 -13.708 1.00 0.00 C ATOM 884 NH1 ARG A 54 -1.454 -2.117 -12.682 1.00 0.00 N ATOM 885 NH2 ARG A 54 -0.297 -2.820 -14.540 1.00 0.00 N ATOM 0 H ARG A 54 -3.935 -2.291 -10.227 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.427 -0.937 -12.205 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.075 -3.780 -11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.402 -3.418 -12.377 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.019 -3.350 -14.145 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.007 -2.144 -13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.048 -4.160 -11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.777 -5.160 -13.236 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.089 -4.544 -14.708 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.241 -2.214 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.767 -1.377 -12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.192 -3.458 -15.329 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.386 -2.077 -14.390 1.00 0.00 H new ATOM 899 N LYS A 55 -7.109 -2.004 -9.573 1.00 0.00 N ATOM 900 CA LYS A 55 -8.390 -1.909 -8.872 1.00 0.00 C ATOM 901 C LYS A 55 -8.775 -0.453 -8.606 1.00 0.00 C ATOM 902 O LYS A 55 -9.914 -0.058 -8.847 1.00 0.00 O ATOM 903 CB LYS A 55 -8.332 -2.677 -7.548 1.00 0.00 C ATOM 904 CG LYS A 55 -8.595 -4.168 -7.684 1.00 0.00 C ATOM 905 CD LYS A 55 -7.609 -4.986 -6.867 1.00 0.00 C ATOM 906 CE LYS A 55 -8.078 -6.423 -6.704 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.324 -7.141 -5.638 1.00 0.00 N ATOM 0 H LYS A 55 -6.372 -2.465 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.150 -2.352 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.350 -2.532 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.063 -2.251 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.611 -4.390 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.527 -4.456 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.633 -4.973 -7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.482 -4.530 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.141 -6.432 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.960 -6.952 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.870 -7.968 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.406 -7.454 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.169 -6.502 -4.832 1.00 0.00 H new ATOM 921 N MET A 56 -7.824 0.345 -8.115 1.00 0.00 N ATOM 922 CA MET A 56 -8.092 1.757 -7.833 1.00 0.00 C ATOM 923 C MET A 56 -8.385 2.516 -9.127 1.00 0.00 C ATOM 924 O MET A 56 -9.252 3.390 -9.161 1.00 0.00 O ATOM 925 CB MET A 56 -6.918 2.403 -7.085 1.00 0.00 C ATOM 926 CG MET A 56 -5.581 2.288 -7.801 1.00 0.00 C ATOM 927 SD MET A 56 -4.313 3.353 -7.085 1.00 0.00 S ATOM 928 CE MET A 56 -5.046 4.972 -7.309 1.00 0.00 C ATOM 0 H MET A 56 -6.872 0.042 -7.906 1.00 0.00 H new ATOM 0 HA MET A 56 -8.972 1.811 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 56 -7.141 3.458 -6.924 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.831 1.942 -6.101 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.242 1.253 -7.765 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.713 2.544 -8.852 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.259 5.724 -7.360 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.622 4.986 -8.234 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.704 5.193 -6.469 1.00 0.00 H new ATOM 938 N GLU A 57 -7.668 2.159 -10.193 1.00 0.00 N ATOM 939 CA GLU A 57 -7.858 2.786 -11.502 1.00 0.00 C ATOM 940 C GLU A 57 -9.178 2.345 -12.138 1.00 0.00 C ATOM 941 O GLU A 57 -9.747 3.059 -12.965 1.00 0.00 O ATOM 942 CB GLU A 57 -6.692 2.446 -12.432 1.00 0.00 C ATOM 943 CG GLU A 57 -5.482 3.343 -12.239 1.00 0.00 C ATOM 944 CD GLU A 57 -5.497 4.547 -13.161 1.00 0.00 C ATOM 945 OE1 GLU A 57 -5.176 4.383 -14.357 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.830 5.653 -12.686 1.00 0.00 O ATOM 0 H GLU A 57 -6.948 1.437 -10.176 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.892 3.865 -11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.396 1.410 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.029 2.521 -13.466 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.447 3.683 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.574 2.766 -12.416 1.00 0.00 H new ATOM 953 N ASN A 58 -9.662 1.166 -11.742 1.00 0.00 N ATOM 954 CA ASN A 58 -10.910 0.628 -12.261 1.00 0.00 C ATOM 955 C ASN A 58 -12.081 0.976 -11.341 1.00 0.00 C ATOM 956 O ASN A 58 -13.229 0.652 -11.647 1.00 0.00 O ATOM 957 CB ASN A 58 -10.794 -0.892 -12.422 1.00 0.00 C ATOM 958 CG ASN A 58 -10.111 -1.283 -13.721 1.00 0.00 C ATOM 959 OD1 ASN A 58 -9.148 -2.049 -13.720 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.602 -0.753 -14.838 1.00 0.00 N ATOM 0 H ASN A 58 -9.201 0.566 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.102 1.078 -13.235 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.234 -1.303 -11.582 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.789 -1.336 -12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.178 -0.978 -15.738 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.402 -0.122 -14.794 1.00 0.00 H new ATOM 967 N ARG A 59 -11.783 1.629 -10.207 1.00 0.00 N ATOM 968 CA ARG A 59 -12.803 2.010 -9.244 1.00 0.00 C ATOM 969 C ARG A 59 -13.369 0.773 -8.542 1.00 0.00 C ATOM 970 O ARG A 59 -14.546 0.732 -8.175 1.00 0.00 O ATOM 971 CB ARG A 59 -13.917 2.787 -9.937 1.00 0.00 C ATOM 972 CG ARG A 59 -14.784 3.581 -8.978 1.00 0.00 C ATOM 973 CD ARG A 59 -15.714 4.537 -9.711 1.00 0.00 C ATOM 974 NE ARG A 59 -16.932 3.869 -10.166 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.059 3.257 -11.349 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.046 3.230 -12.215 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.205 2.668 -11.667 1.00 0.00 N ATOM 0 H ARG A 59 -10.836 1.901 -9.942 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.347 2.652 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.476 3.468 -10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.545 2.090 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.374 2.895 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.148 4.145 -8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.978 5.364 -9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.193 4.966 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.738 3.869 -9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.161 3.679 -11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.156 2.760 -13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.985 2.683 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.305 2.201 -12.568 1.00 0.00 H new ATOM 991 N ASP A 60 -12.511 -0.229 -8.351 1.00 0.00 N ATOM 992 CA ASP A 60 -12.902 -1.468 -7.689 1.00 0.00 C ATOM 993 C ASP A 60 -13.125 -1.237 -6.196 1.00 0.00 C ATOM 994 O ASP A 60 -13.964 -1.889 -5.575 1.00 0.00 O ATOM 995 CB ASP A 60 -11.822 -2.532 -7.899 1.00 0.00 C ATOM 996 CG ASP A 60 -12.335 -3.955 -7.725 1.00 0.00 C ATOM 997 OD1 ASP A 60 -13.403 -4.144 -7.107 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.665 -4.884 -8.214 1.00 0.00 O ATOM 0 H ASP A 60 -11.536 -0.204 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.839 -1.814 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.405 -2.424 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.009 -2.358 -7.195 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.373 -0.296 -5.627 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.491 0.028 -4.218 1.00 0.00 C ATOM 1005 C TYR A 61 -13.447 1.191 -4.027 1.00 0.00 C ATOM 1006 O TYR A 61 -13.083 2.349 -4.240 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.120 0.371 -3.637 1.00 0.00 C ATOM 1008 CG TYR A 61 -10.219 -0.830 -3.478 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -10.254 -1.599 -2.323 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -9.336 -1.193 -4.484 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -9.430 -2.697 -2.175 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -8.510 -2.290 -4.344 1.00 0.00 C ATOM 1013 CZ TYR A 61 -8.560 -3.038 -3.188 1.00 0.00 C ATOM 1014 OH TYR A 61 -7.733 -4.128 -3.043 1.00 0.00 O ATOM 0 H TYR A 61 -11.675 0.254 -6.128 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.886 -0.841 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.631 1.099 -4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.254 0.847 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.936 -1.335 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.294 -0.608 -5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.467 -3.286 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.828 -2.561 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.166 -4.793 -2.468 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.670 0.878 -3.620 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.683 1.903 -3.393 1.00 0.00 C ATOM 1026 C ARG A 62 -15.620 2.434 -1.957 1.00 0.00 C ATOM 1027 O ARG A 62 -16.594 3.001 -1.456 1.00 0.00 O ATOM 1028 CB ARG A 62 -17.081 1.354 -3.695 1.00 0.00 C ATOM 1029 CG ARG A 62 -17.373 0.019 -3.033 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.856 -0.306 -3.064 1.00 0.00 C ATOM 1031 NE ARG A 62 -19.237 -1.206 -1.980 1.00 0.00 N ATOM 1032 CZ ARG A 62 -19.317 -0.837 -0.698 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.035 0.413 -0.335 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -19.676 -1.723 0.224 1.00 0.00 N ATOM 0 H ARG A 62 -14.985 -0.075 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.478 2.732 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.825 2.081 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.193 1.246 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.816 -0.769 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.026 0.040 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.432 0.617 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.108 -0.763 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.455 -2.174 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.755 1.097 -1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.099 0.686 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.890 -2.683 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.738 -1.444 1.203 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.466 2.254 -1.301 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.282 2.722 0.073 1.00 0.00 C ATOM 1050 C ASP A 63 -12.824 2.585 0.513 1.00 0.00 C ATOM 1051 O ASP A 63 -12.050 1.842 -0.094 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.186 1.938 1.032 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.372 2.751 1.520 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.160 3.879 2.016 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -17.515 2.256 1.411 1.00 0.00 O ATOM 0 H ASP A 63 -13.651 1.789 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.555 3.777 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.548 1.041 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.599 1.609 1.890 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.461 3.299 1.581 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.099 3.247 2.113 1.00 0.00 C ATOM 1062 C ALA A 64 -10.892 1.999 2.965 1.00 0.00 C ATOM 1063 O ALA A 64 -9.796 1.441 2.998 1.00 0.00 O ATOM 1064 CB ALA A 64 -10.787 4.497 2.923 1.00 0.00 C ATOM 0 H ALA A 64 -13.090 3.918 2.093 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.413 3.202 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.769 4.436 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.882 5.376 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.486 4.575 3.755 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.953 1.561 3.650 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.883 0.372 4.497 1.00 0.00 C ATOM 1072 C GLN A 65 -11.412 -0.844 3.695 1.00 0.00 C ATOM 1073 O GLN A 65 -10.622 -1.651 4.188 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.247 0.083 5.134 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.252 0.231 6.648 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.528 0.863 7.171 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.616 0.304 7.028 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.403 2.037 7.782 1.00 0.00 N ATOM 0 H GLN A 65 -12.867 2.013 3.633 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.159 0.567 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.989 0.759 4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.553 -0.931 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.124 -0.750 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.400 0.838 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.483 2.466 7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.227 2.509 8.153 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.893 -0.966 2.456 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.512 -2.082 1.591 1.00 0.00 C ATOM 1089 C GLU A 66 -10.069 -1.935 1.103 1.00 0.00 C ATOM 1090 O GLU A 66 -9.318 -2.910 1.063 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.459 -2.178 0.391 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.726 -2.972 0.674 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.971 -2.307 0.117 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -15.399 -1.279 0.681 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -15.519 -2.815 -0.884 1.00 0.00 O ATOM 0 H GLU A 66 -12.545 -0.307 2.031 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.586 -2.997 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.734 -1.172 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.930 -2.640 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.629 -3.969 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.838 -3.099 1.751 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.688 -0.711 0.730 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.335 -0.440 0.242 1.00 0.00 C ATOM 1104 C PHE A 67 -7.304 -0.605 1.358 1.00 0.00 C ATOM 1105 O PHE A 67 -6.274 -1.254 1.169 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.252 0.975 -0.340 1.00 0.00 C ATOM 1107 CG PHE A 67 -7.095 1.181 -1.281 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -7.156 0.723 -2.587 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.950 1.840 -0.859 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -6.098 0.916 -3.455 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.890 2.037 -1.724 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.964 1.575 -3.022 1.00 0.00 C ATOM 0 H PHE A 67 -10.297 0.107 0.757 1.00 0.00 H new ATOM 0 HA PHE A 67 -8.111 -1.163 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -9.180 1.195 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.173 1.690 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.041 0.209 -2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.886 2.203 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.158 0.552 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.004 2.552 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.136 1.728 -3.699 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.589 -0.013 2.521 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.687 -0.095 3.670 1.00 0.00 C ATOM 1124 C ALA A 68 -6.464 -1.545 4.090 1.00 0.00 C ATOM 1125 O ALA A 68 -5.343 -1.938 4.415 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.234 0.712 4.839 1.00 0.00 C ATOM 0 H ALA A 68 -8.437 0.528 2.690 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.727 0.326 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.549 0.639 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.336 1.756 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.209 0.320 5.127 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.540 -2.338 4.071 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.465 -3.750 4.440 1.00 0.00 C ATOM 1134 C ALA A 69 -6.478 -4.494 3.544 1.00 0.00 C ATOM 1135 O ALA A 69 -5.727 -5.351 4.012 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.842 -4.396 4.361 1.00 0.00 C ATOM 0 H ALA A 69 -8.473 -2.023 3.803 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.109 -3.813 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.767 -5.447 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.522 -3.887 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.223 -4.316 3.343 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.482 -4.155 2.254 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.583 -4.784 1.291 1.00 0.00 C ATOM 1144 C ASP A 70 -4.122 -4.481 1.624 1.00 0.00 C ATOM 1145 O ASP A 70 -3.261 -5.355 1.516 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.905 -4.311 -0.129 1.00 0.00 C ATOM 1147 CG ASP A 70 -5.604 -5.371 -1.169 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.455 -6.263 -1.373 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -4.518 -5.311 -1.779 1.00 0.00 O ATOM 0 H ASP A 70 -7.099 -3.448 1.854 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.732 -5.862 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.958 -4.036 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.328 -3.413 -0.350 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.848 -3.241 2.035 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.490 -2.836 2.390 1.00 0.00 C ATOM 1156 C VAL A 71 -1.995 -3.619 3.606 1.00 0.00 C ATOM 1157 O VAL A 71 -0.874 -4.127 3.614 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.401 -1.324 2.693 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.953 -0.898 2.887 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.060 -0.509 1.586 1.00 0.00 C ATOM 0 H VAL A 71 -4.547 -2.504 2.129 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.859 -3.054 1.528 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.940 -1.132 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.913 0.170 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.520 -1.450 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.387 -1.109 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.985 0.553 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.557 -0.707 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.110 -0.789 1.504 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.848 -3.718 4.630 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.505 -4.446 5.851 1.00 0.00 C ATOM 1172 C ARG A 72 -2.176 -5.908 5.539 1.00 0.00 C ATOM 1173 O ARG A 72 -1.229 -6.470 6.092 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.659 -4.371 6.859 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.232 -4.607 8.302 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.535 -6.031 8.750 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.057 -6.086 10.117 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.553 -7.191 10.684 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -4.592 -8.339 10.011 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -5.010 -7.148 11.931 1.00 0.00 N ATOM 0 H ARG A 72 -3.780 -3.303 4.636 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.622 -3.979 6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.130 -3.391 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.414 -5.109 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.164 -4.413 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.747 -3.902 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.260 -6.477 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.627 -6.630 8.686 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.041 -5.229 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.242 -8.381 9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.972 -9.176 10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.982 -6.273 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.389 -7.990 12.365 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.960 -6.514 4.643 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.748 -7.907 4.251 1.00 0.00 C ATOM 1196 C LEU A 73 -1.425 -8.068 3.504 1.00 0.00 C ATOM 1197 O LEU A 73 -0.660 -8.995 3.776 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.905 -8.393 3.368 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.767 -9.825 2.836 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -5.105 -10.548 2.896 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.226 -9.817 1.411 1.00 0.00 C ATOM 0 H LEU A 73 -3.746 -6.061 4.177 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.710 -8.511 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.831 -8.323 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.002 -7.716 2.520 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.059 -10.360 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.988 -11.562 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.452 -10.586 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.835 -10.014 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.135 -10.842 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.909 -9.265 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.247 -9.339 1.396 1.00 0.00 H new ATOM 1213 N MET A 74 -1.163 -7.156 2.566 1.00 0.00 N ATOM 1214 CA MET A 74 0.069 -7.190 1.778 1.00 0.00 C ATOM 1215 C MET A 74 1.297 -7.043 2.676 1.00 0.00 C ATOM 1216 O MET A 74 2.301 -7.731 2.482 1.00 0.00 O ATOM 1217 CB MET A 74 0.059 -6.079 0.722 1.00 0.00 C ATOM 1218 CG MET A 74 0.561 -6.528 -0.640 1.00 0.00 C ATOM 1219 SD MET A 74 2.349 -6.368 -0.810 1.00 0.00 S ATOM 1220 CE MET A 74 2.465 -4.919 -1.857 1.00 0.00 C ATOM 0 H MET A 74 -1.788 -6.384 2.334 1.00 0.00 H new ATOM 0 HA MET A 74 0.121 -8.157 1.277 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.957 -5.698 0.618 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.676 -5.251 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.276 -7.567 -0.803 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.072 -5.938 -1.415 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.269 -5.056 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.522 -4.775 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.674 -4.043 -1.244 1.00 0.00 H new ATOM 1230 N PHE A 75 1.209 -6.146 3.660 1.00 0.00 N ATOM 1231 CA PHE A 75 2.314 -5.914 4.589 1.00 0.00 C ATOM 1232 C PHE A 75 2.566 -7.149 5.450 1.00 0.00 C ATOM 1233 O PHE A 75 3.713 -7.556 5.642 1.00 0.00 O ATOM 1234 CB PHE A 75 2.022 -4.704 5.484 1.00 0.00 C ATOM 1235 CG PHE A 75 2.339 -3.380 4.840 1.00 0.00 C ATOM 1236 CD1 PHE A 75 1.970 -3.121 3.528 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.007 -2.392 5.549 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.261 -1.907 2.937 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.300 -1.176 4.962 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.927 -0.933 3.656 1.00 0.00 C ATOM 0 H PHE A 75 0.385 -5.570 3.833 1.00 0.00 H new ATOM 0 HA PHE A 75 3.209 -5.709 4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.969 -4.718 5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.599 -4.797 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.449 -3.878 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.301 -2.576 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.968 -1.719 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.821 -0.416 5.525 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.155 0.017 3.196 1.00 0.00 H new ATOM 1250 N SER A 76 1.487 -7.748 5.961 1.00 0.00 N ATOM 1251 CA SER A 76 1.592 -8.944 6.798 1.00 0.00 C ATOM 1252 C SER A 76 2.210 -10.107 6.021 1.00 0.00 C ATOM 1253 O SER A 76 2.929 -10.931 6.590 1.00 0.00 O ATOM 1254 CB SER A 76 0.216 -9.351 7.333 1.00 0.00 C ATOM 1255 OG SER A 76 0.326 -10.408 8.273 1.00 0.00 O ATOM 0 H SER A 76 0.532 -7.424 5.809 1.00 0.00 H new ATOM 0 HA SER A 76 2.243 -8.703 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.264 -8.492 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.422 -9.661 6.506 1.00 0.00 H new ATOM 0 HG SER A 76 -0.566 -10.648 8.601 1.00 0.00 H new ATOM 1261 N ASN A 77 1.927 -10.168 4.718 1.00 0.00 N ATOM 1262 CA ASN A 77 2.456 -11.229 3.862 1.00 0.00 C ATOM 1263 C ASN A 77 3.983 -11.206 3.834 1.00 0.00 C ATOM 1264 O ASN A 77 4.624 -12.257 3.810 1.00 0.00 O ATOM 1265 CB ASN A 77 1.911 -11.090 2.438 1.00 0.00 C ATOM 1266 CG ASN A 77 0.481 -11.586 2.306 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.161 -11.941 3.295 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.025 -11.615 1.077 1.00 0.00 N ATOM 0 H ASN A 77 1.334 -9.494 4.233 1.00 0.00 H new ATOM 0 HA ASN A 77 2.132 -12.183 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.958 -10.044 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.549 -11.648 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.980 -11.940 0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.542 -11.312 0.285 1.00 0.00 H new ATOM 1275 N CYS A 78 4.559 -10.003 3.840 1.00 0.00 N ATOM 1276 CA CYS A 78 6.012 -9.848 3.821 1.00 0.00 C ATOM 1277 C CYS A 78 6.642 -10.499 5.049 1.00 0.00 C ATOM 1278 O CYS A 78 7.647 -11.202 4.942 1.00 0.00 O ATOM 1279 CB CYS A 78 6.393 -8.367 3.762 1.00 0.00 C ATOM 1280 SG CYS A 78 7.870 -8.025 2.778 1.00 0.00 S ATOM 0 H CYS A 78 4.042 -9.124 3.858 1.00 0.00 H new ATOM 0 HA CYS A 78 6.393 -10.346 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.556 -7.804 3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.553 -8.003 4.777 1.00 0.00 H new ATOM 0 HG CYS A 78 7.625 -7.052 1.951 1.00 0.00 H new ATOM 1286 N TYR A 79 6.038 -10.267 6.214 1.00 0.00 N ATOM 1287 CA TYR A 79 6.534 -10.838 7.462 1.00 0.00 C ATOM 1288 C TYR A 79 6.407 -12.363 7.452 1.00 0.00 C ATOM 1289 O TYR A 79 7.241 -13.065 8.025 1.00 0.00 O ATOM 1290 CB TYR A 79 5.772 -10.257 8.656 1.00 0.00 C ATOM 1291 CG TYR A 79 6.188 -8.847 9.029 1.00 0.00 C ATOM 1292 CD1 TYR A 79 5.838 -7.761 8.232 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.926 -8.603 10.181 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.212 -6.475 8.574 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.303 -7.319 10.528 1.00 0.00 C ATOM 1296 CZ TYR A 79 6.944 -6.260 9.723 1.00 0.00 C ATOM 1297 OH TYR A 79 7.318 -4.979 10.069 1.00 0.00 O ATOM 0 H TYR A 79 5.205 -9.688 6.318 1.00 0.00 H new ATOM 0 HA TYR A 79 7.589 -10.579 7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.706 -10.262 8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.918 -10.908 9.518 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.265 -7.926 7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.210 -9.430 10.815 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.932 -5.643 7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.877 -7.147 11.427 1.00 0.00 H new ATOM 0 HH TYR A 79 7.827 -5.002 10.906 1.00 0.00 H new ATOM 1307 N LYS A 80 5.359 -12.869 6.793 1.00 0.00 N ATOM 1308 CA LYS A 80 5.126 -14.310 6.705 1.00 0.00 C ATOM 1309 C LYS A 80 6.256 -15.008 5.946 1.00 0.00 C ATOM 1310 O LYS A 80 6.713 -16.077 6.351 1.00 0.00 O ATOM 1311 CB LYS A 80 3.788 -14.603 6.014 1.00 0.00 C ATOM 1312 CG LYS A 80 2.568 -14.169 6.815 1.00 0.00 C ATOM 1313 CD LYS A 80 1.429 -15.172 6.689 1.00 0.00 C ATOM 1314 CE LYS A 80 0.083 -14.479 6.529 1.00 0.00 C ATOM 1315 NZ LYS A 80 -1.051 -15.443 6.594 1.00 0.00 N ATOM 0 H LYS A 80 4.661 -12.300 6.314 1.00 0.00 H new ATOM 0 HA LYS A 80 5.096 -14.698 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.773 -14.100 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.719 -15.673 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.842 -14.058 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.233 -13.192 6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.609 -15.821 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.407 -15.810 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.034 -13.728 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.057 -13.952 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.949 -14.931 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.954 -16.145 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.042 -15.927 7.514 1.00 0.00 H new ATOM 1329 N TYR A 81 6.697 -14.402 4.842 1.00 0.00 N ATOM 1330 CA TYR A 81 7.770 -14.971 4.027 1.00 0.00 C ATOM 1331 C TYR A 81 9.077 -15.059 4.821 1.00 0.00 C ATOM 1332 O TYR A 81 9.612 -16.150 5.022 1.00 0.00 O ATOM 1333 CB TYR A 81 7.969 -14.144 2.753 1.00 0.00 C ATOM 1334 CG TYR A 81 8.876 -14.794 1.727 1.00 0.00 C ATOM 1335 CD1 TYR A 81 8.764 -16.148 1.424 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.843 -14.053 1.062 1.00 0.00 C ATOM 1337 CE1 TYR A 81 9.591 -16.740 0.489 1.00 0.00 C ATOM 1338 CE2 TYR A 81 10.673 -14.638 0.124 1.00 0.00 C ATOM 1339 CZ TYR A 81 10.544 -15.981 -0.158 1.00 0.00 C ATOM 1340 OH TYR A 81 11.367 -16.566 -1.092 1.00 0.00 O ATOM 0 H TYR A 81 6.327 -13.518 4.493 1.00 0.00 H new ATOM 0 HA TYR A 81 7.480 -15.983 3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.996 -13.960 2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.383 -13.173 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.019 -16.745 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.949 -13.001 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.492 -17.792 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 81 11.419 -14.046 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 81 11.981 -15.893 -1.454 1.00 0.00 H new ATOM 1350 N ASN A 82 9.582 -13.910 5.277 1.00 0.00 N ATOM 1351 CA ASN A 82 10.821 -13.871 6.058 1.00 0.00 C ATOM 1352 C ASN A 82 10.618 -13.101 7.361 1.00 0.00 C ATOM 1353 O ASN A 82 9.933 -12.076 7.382 1.00 0.00 O ATOM 1354 CB ASN A 82 11.962 -13.226 5.259 1.00 0.00 C ATOM 1355 CG ASN A 82 12.113 -13.801 3.862 1.00 0.00 C ATOM 1356 OD1 ASN A 82 12.134 -15.017 3.675 1.00 0.00 O ATOM 1357 ND2 ASN A 82 12.226 -12.923 2.869 1.00 0.00 N ATOM 0 H ASN A 82 9.154 -12.998 5.120 1.00 0.00 H new ATOM 0 HA ASN A 82 11.091 -14.902 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.785 -12.153 5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.898 -13.358 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.335 -13.250 1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.204 -11.923 3.068 1.00 0.00 H new ATOM 1364 N PRO A 83 11.221 -13.582 8.468 1.00 0.00 N ATOM 1365 CA PRO A 83 11.109 -12.929 9.779 1.00 0.00 C ATOM 1366 C PRO A 83 11.704 -11.521 9.777 1.00 0.00 C ATOM 1367 O PRO A 83 12.531 -11.191 8.923 1.00 0.00 O ATOM 1368 CB PRO A 83 11.912 -13.841 10.714 1.00 0.00 C ATOM 1369 CG PRO A 83 12.810 -14.624 9.818 1.00 0.00 C ATOM 1370 CD PRO A 83 12.062 -14.792 8.528 1.00 0.00 C ATOM 0 HA PRO A 83 10.068 -12.805 10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.485 -13.259 11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.255 -14.497 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.753 -14.101 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.053 -15.592 10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.738 -14.855 7.675 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.461 -15.701 8.526 1.00 0.00 H new ATOM 1378 N PRO A 84 11.292 -10.668 10.738 1.00 0.00 N ATOM 1379 CA PRO A 84 11.792 -9.296 10.835 1.00 0.00 C ATOM 1380 C PRO A 84 13.298 -9.242 11.043 1.00 0.00 C ATOM 1381 O PRO A 84 13.808 -9.553 12.121 1.00 0.00 O ATOM 1382 CB PRO A 84 11.058 -8.706 12.037 1.00 0.00 C ATOM 1383 CG PRO A 84 10.522 -9.875 12.795 1.00 0.00 C ATOM 1384 CD PRO A 84 10.312 -10.975 11.792 1.00 0.00 C ATOM 0 HA PRO A 84 11.612 -8.742 9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.732 -8.114 12.656 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.253 -8.044 11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.220 -10.187 13.572 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.586 -9.619 13.292 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.488 -11.957 12.230 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.293 -10.977 11.405 1.00 0.00 H new ATOM 1392 N ASP A 85 13.989 -8.844 9.988 1.00 0.00 N ATOM 1393 CA ASP A 85 15.449 -8.732 9.992 1.00 0.00 C ATOM 1394 C ASP A 85 15.959 -8.276 8.623 1.00 0.00 C ATOM 1395 O ASP A 85 16.900 -7.486 8.532 1.00 0.00 O ATOM 1396 CB ASP A 85 16.091 -10.076 10.367 1.00 0.00 C ATOM 1397 CG ASP A 85 17.226 -9.930 11.367 1.00 0.00 C ATOM 1398 OD1 ASP A 85 17.122 -9.072 12.270 1.00 0.00 O ATOM 1399 OD2 ASP A 85 18.219 -10.678 11.248 1.00 0.00 O ATOM 0 H ASP A 85 13.558 -8.588 9.100 1.00 0.00 H new ATOM 0 HA ASP A 85 15.729 -7.987 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.328 -10.734 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.468 -10.557 9.465 1.00 0.00 H new ATOM 1404 N HIS A 86 15.325 -8.783 7.563 1.00 0.00 N ATOM 1405 CA HIS A 86 15.692 -8.442 6.190 1.00 0.00 C ATOM 1406 C HIS A 86 15.456 -6.960 5.896 1.00 0.00 C ATOM 1407 O HIS A 86 14.826 -6.248 6.683 1.00 0.00 O ATOM 1408 CB HIS A 86 14.884 -9.295 5.208 1.00 0.00 C ATOM 1409 CG HIS A 86 15.702 -9.893 4.106 1.00 0.00 C ATOM 1410 ND1 HIS A 86 15.520 -9.575 2.776 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.703 -10.805 4.139 1.00 0.00 C ATOM 1412 CE1 HIS A 86 16.371 -10.267 2.039 1.00 0.00 C ATOM 1413 NE2 HIS A 86 17.100 -11.020 2.842 1.00 0.00 N ATOM 0 H HIS A 86 14.547 -9.438 7.633 1.00 0.00 H new ATOM 0 HA HIS A 86 16.756 -8.646 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.393 -10.097 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 86 14.097 -8.680 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 86 17.112 -11.275 5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.456 -10.224 0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 86 17.839 -11.658 2.547 1.00 0.00 H new ATOM 1422 N ASP A 87 15.960 -6.506 4.747 1.00 0.00 N ATOM 1423 CA ASP A 87 15.806 -5.113 4.330 1.00 0.00 C ATOM 1424 C ASP A 87 14.369 -4.818 3.895 1.00 0.00 C ATOM 1425 O ASP A 87 13.852 -3.727 4.144 1.00 0.00 O ATOM 1426 CB ASP A 87 16.770 -4.790 3.184 1.00 0.00 C ATOM 1427 CG ASP A 87 17.107 -3.313 3.111 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.789 -2.814 4.031 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.689 -2.656 2.134 1.00 0.00 O ATOM 0 H ASP A 87 16.480 -7.085 4.088 1.00 0.00 H new ATOM 0 HA ASP A 87 16.041 -4.483 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.688 -5.363 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.326 -5.106 2.240 1.00 0.00 H new ATOM 1434 N VAL A 88 13.732 -5.791 3.239 1.00 0.00 N ATOM 1435 CA VAL A 88 12.359 -5.626 2.765 1.00 0.00 C ATOM 1436 C VAL A 88 11.369 -5.493 3.928 1.00 0.00 C ATOM 1437 O VAL A 88 10.454 -4.670 3.876 1.00 0.00 O ATOM 1438 CB VAL A 88 11.927 -6.791 1.841 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.904 -8.118 2.592 1.00 0.00 C ATOM 1440 CG2 VAL A 88 10.570 -6.499 1.216 1.00 0.00 C ATOM 0 H VAL A 88 14.145 -6.699 3.025 1.00 0.00 H new ATOM 0 HA VAL A 88 12.342 -4.702 2.188 1.00 0.00 H new ATOM 0 HB VAL A 88 12.665 -6.878 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.597 -8.914 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.900 -8.335 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.199 -8.055 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.281 -7.328 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.826 -6.376 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.630 -5.584 0.627 1.00 0.00 H new ATOM 1450 N VAL A 89 11.554 -6.302 4.973 1.00 0.00 N ATOM 1451 CA VAL A 89 10.670 -6.258 6.138 1.00 0.00 C ATOM 1452 C VAL A 89 10.814 -4.930 6.882 1.00 0.00 C ATOM 1453 O VAL A 89 9.818 -4.317 7.269 1.00 0.00 O ATOM 1454 CB VAL A 89 10.937 -7.422 7.117 1.00 0.00 C ATOM 1455 CG1 VAL A 89 9.899 -7.429 8.230 1.00 0.00 C ATOM 1456 CG2 VAL A 89 10.949 -8.760 6.386 1.00 0.00 C ATOM 0 H VAL A 89 12.303 -6.991 5.036 1.00 0.00 H new ATOM 0 HA VAL A 89 9.653 -6.357 5.759 1.00 0.00 H new ATOM 0 HB VAL A 89 11.921 -7.273 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.102 -8.255 8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.946 -6.488 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.905 -7.549 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.139 -9.562 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.983 -8.922 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.733 -8.754 5.629 1.00 0.00 H new ATOM 1466 N ALA A 90 12.060 -4.485 7.071 1.00 0.00 N ATOM 1467 CA ALA A 90 12.329 -3.222 7.757 1.00 0.00 C ATOM 1468 C ALA A 90 11.692 -2.051 7.011 1.00 0.00 C ATOM 1469 O ALA A 90 11.211 -1.099 7.628 1.00 0.00 O ATOM 1470 CB ALA A 90 13.828 -3.001 7.900 1.00 0.00 C ATOM 0 H ALA A 90 12.895 -4.981 6.759 1.00 0.00 H new ATOM 0 HA ALA A 90 11.887 -3.277 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.009 -2.056 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.263 -3.817 8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.287 -2.971 6.912 1.00 0.00 H new ATOM 1476 N MET A 91 11.687 -2.134 5.678 1.00 0.00 N ATOM 1477 CA MET A 91 11.103 -1.088 4.842 1.00 0.00 C ATOM 1478 C MET A 91 9.604 -0.945 5.113 1.00 0.00 C ATOM 1479 O MET A 91 9.073 0.167 5.126 1.00 0.00 O ATOM 1480 CB MET A 91 11.343 -1.393 3.358 1.00 0.00 C ATOM 1481 CG MET A 91 11.814 -0.190 2.557 1.00 0.00 C ATOM 1482 SD MET A 91 13.538 -0.329 2.047 1.00 0.00 S ATOM 1483 CE MET A 91 13.863 1.339 1.481 1.00 0.00 C ATOM 0 H MET A 91 12.082 -2.917 5.156 1.00 0.00 H new ATOM 0 HA MET A 91 11.589 -0.145 5.092 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.085 -2.187 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.420 -1.772 2.920 1.00 0.00 H new ATOM 0 HG2 MET A 91 11.185 -0.078 1.674 1.00 0.00 H new ATOM 0 HG3 MET A 91 11.687 0.712 3.155 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.894 1.411 1.133 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.186 1.584 0.663 1.00 0.00 H new ATOM 0 HE3 MET A 91 13.708 2.039 2.302 1.00 0.00 H new ATOM 1493 N ALA A 92 8.928 -2.075 5.333 1.00 0.00 N ATOM 1494 CA ALA A 92 7.492 -2.073 5.608 1.00 0.00 C ATOM 1495 C ALA A 92 7.182 -1.396 6.942 1.00 0.00 C ATOM 1496 O ALA A 92 6.203 -0.658 7.055 1.00 0.00 O ATOM 1497 CB ALA A 92 6.945 -3.494 5.594 1.00 0.00 C ATOM 0 H ALA A 92 9.353 -3.002 5.326 1.00 0.00 H new ATOM 0 HA ALA A 92 7.003 -1.500 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.875 -3.474 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.117 -3.941 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.451 -4.086 6.357 1.00 0.00 H new ATOM 1503 N ARG A 93 8.019 -1.649 7.951 1.00 0.00 N ATOM 1504 CA ARG A 93 7.827 -1.057 9.277 1.00 0.00 C ATOM 1505 C ARG A 93 7.806 0.470 9.199 1.00 0.00 C ATOM 1506 O ARG A 93 7.005 1.120 9.872 1.00 0.00 O ATOM 1507 CB ARG A 93 8.933 -1.512 10.233 1.00 0.00 C ATOM 1508 CG ARG A 93 8.520 -1.502 11.698 1.00 0.00 C ATOM 1509 CD ARG A 93 9.575 -2.149 12.583 1.00 0.00 C ATOM 1510 NE ARG A 93 10.868 -1.468 12.493 1.00 0.00 N ATOM 1511 CZ ARG A 93 11.984 -1.902 13.085 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.969 -3.006 13.828 1.00 0.00 N ATOM 1513 NH2 ARG A 93 13.120 -1.229 12.938 1.00 0.00 N ATOM 0 H ARG A 93 8.834 -2.258 7.876 1.00 0.00 H new ATOM 0 HA ARG A 93 6.864 -1.398 9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.245 -2.520 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.800 -0.864 10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.353 -0.475 12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.574 -2.031 11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.233 -2.140 13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.696 -3.194 12.296 1.00 0.00 H new ATOM 0 HE ARG A 93 10.920 -0.610 11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.101 -3.528 13.949 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.826 -3.331 14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.140 -0.380 12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.972 -1.561 13.390 1.00 0.00 H new ATOM 1527 N LYS A 94 8.683 1.037 8.368 1.00 0.00 N ATOM 1528 CA LYS A 94 8.751 2.487 8.202 1.00 0.00 C ATOM 1529 C LYS A 94 7.489 3.013 7.518 1.00 0.00 C ATOM 1530 O LYS A 94 6.943 4.042 7.917 1.00 0.00 O ATOM 1531 CB LYS A 94 9.993 2.880 7.392 1.00 0.00 C ATOM 1532 CG LYS A 94 11.216 3.170 8.253 1.00 0.00 C ATOM 1533 CD LYS A 94 12.374 3.717 7.426 1.00 0.00 C ATOM 1534 CE LYS A 94 13.025 4.921 8.096 1.00 0.00 C ATOM 1535 NZ LYS A 94 13.621 4.582 9.423 1.00 0.00 N ATOM 0 H LYS A 94 9.353 0.515 7.802 1.00 0.00 H new ATOM 0 HA LYS A 94 8.823 2.937 9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.232 2.076 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.763 3.762 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.952 3.889 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.530 2.256 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.119 2.935 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.013 4.001 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.801 5.320 7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.281 5.707 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.051 5.433 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.877 4.226 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.350 3.851 9.299 1.00 0.00 H new ATOM 1549 N LEU A 95 7.022 2.293 6.494 1.00 0.00 N ATOM 1550 CA LEU A 95 5.816 2.686 5.766 1.00 0.00 C ATOM 1551 C LEU A 95 4.582 2.594 6.664 1.00 0.00 C ATOM 1552 O LEU A 95 3.687 3.436 6.587 1.00 0.00 O ATOM 1553 CB LEU A 95 5.621 1.809 4.522 1.00 0.00 C ATOM 1554 CG LEU A 95 5.393 2.572 3.213 1.00 0.00 C ATOM 1555 CD1 LEU A 95 5.174 1.603 2.059 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.209 3.521 3.343 1.00 0.00 C ATOM 0 H LEU A 95 7.460 1.438 6.152 1.00 0.00 H new ATOM 0 HA LEU A 95 5.942 3.722 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.498 1.173 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.770 1.150 4.692 1.00 0.00 H new ATOM 0 HG LEU A 95 6.285 3.162 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.014 2.164 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.051 0.966 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.300 0.985 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.064 4.053 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.310 2.951 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.404 4.239 4.140 1.00 0.00 H new ATOM 1568 N GLN A 96 4.542 1.567 7.518 1.00 0.00 N ATOM 1569 CA GLN A 96 3.418 1.369 8.432 1.00 0.00 C ATOM 1570 C GLN A 96 3.300 2.533 9.416 1.00 0.00 C ATOM 1571 O GLN A 96 2.210 3.068 9.626 1.00 0.00 O ATOM 1572 CB GLN A 96 3.578 0.051 9.201 1.00 0.00 C ATOM 1573 CG GLN A 96 2.308 -0.409 9.903 1.00 0.00 C ATOM 1574 CD GLN A 96 2.486 -0.553 11.404 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.217 0.377 12.163 1.00 0.00 O ATOM 1576 NE2 GLN A 96 2.942 -1.723 11.841 1.00 0.00 N ATOM 0 H GLN A 96 5.275 0.862 7.594 1.00 0.00 H new ATOM 0 HA GLN A 96 2.506 1.326 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.901 -0.726 8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.370 0.167 9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.509 0.305 9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.993 -1.365 9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.153 -2.468 11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.081 -1.875 12.840 1.00 0.00 H new ATOM 1585 N ASP A 97 4.428 2.920 10.015 1.00 0.00 N ATOM 1586 CA ASP A 97 4.451 4.020 10.980 1.00 0.00 C ATOM 1587 C ASP A 97 3.989 5.329 10.342 1.00 0.00 C ATOM 1588 O ASP A 97 3.238 6.091 10.952 1.00 0.00 O ATOM 1589 CB ASP A 97 5.861 4.194 11.560 1.00 0.00 C ATOM 1590 CG ASP A 97 6.092 3.343 12.797 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.885 2.113 12.720 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.485 3.907 13.840 1.00 0.00 O ATOM 0 H ASP A 97 5.337 2.488 9.849 1.00 0.00 H new ATOM 0 HA ASP A 97 3.760 3.768 11.784 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.597 3.932 10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.020 5.243 11.810 1.00 0.00 H new ATOM 1597 N VAL A 98 4.436 5.583 9.113 1.00 0.00 N ATOM 1598 CA VAL A 98 4.058 6.803 8.404 1.00 0.00 C ATOM 1599 C VAL A 98 2.585 6.768 7.993 1.00 0.00 C ATOM 1600 O VAL A 98 1.876 7.766 8.125 1.00 0.00 O ATOM 1601 CB VAL A 98 4.929 7.040 7.153 1.00 0.00 C ATOM 1602 CG1 VAL A 98 4.583 8.376 6.513 1.00 0.00 C ATOM 1603 CG2 VAL A 98 6.411 6.979 7.505 1.00 0.00 C ATOM 0 H VAL A 98 5.056 4.964 8.591 1.00 0.00 H new ATOM 0 HA VAL A 98 4.221 7.627 9.099 1.00 0.00 H new ATOM 0 HB VAL A 98 4.721 6.248 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.206 8.529 5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.533 8.378 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.762 9.179 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.005 7.149 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.641 7.747 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.647 5.998 7.916 1.00 0.00 H new ATOM 1613 N PHE A 99 2.132 5.613 7.500 1.00 0.00 N ATOM 1614 CA PHE A 99 0.742 5.451 7.078 1.00 0.00 C ATOM 1615 C PHE A 99 -0.214 5.724 8.240 1.00 0.00 C ATOM 1616 O PHE A 99 -1.304 6.259 8.038 1.00 0.00 O ATOM 1617 CB PHE A 99 0.512 4.040 6.528 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.765 3.890 5.745 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -0.999 4.663 4.618 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.729 2.976 6.138 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.171 4.525 3.898 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -2.903 2.835 5.422 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.124 3.610 4.301 1.00 0.00 C ATOM 0 H PHE A 99 2.707 4.779 7.384 1.00 0.00 H new ATOM 0 HA PHE A 99 0.541 6.175 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.352 3.769 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.502 3.334 7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.258 5.381 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.561 2.367 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.341 5.132 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.647 2.119 5.739 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.040 3.501 3.740 1.00 0.00 H new ATOM 1633 N GLU A 100 0.203 5.359 9.456 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.619 5.574 10.647 1.00 0.00 C ATOM 1635 C GLU A 100 -0.989 7.050 10.794 1.00 0.00 C ATOM 1636 O GLU A 100 -2.140 7.383 11.077 1.00 0.00 O ATOM 1637 CB GLU A 100 0.125 5.097 11.900 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.784 4.481 12.952 1.00 0.00 C ATOM 1639 CD GLU A 100 -1.222 3.073 12.594 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -0.349 2.184 12.500 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -2.438 2.860 12.405 1.00 0.00 O ATOM 0 H GLU A 100 1.103 4.915 9.640 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.536 4.996 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.877 4.364 11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.656 5.941 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.264 4.463 13.910 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.665 5.110 13.079 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.008 7.932 10.586 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.238 9.374 10.684 1.00 0.00 C ATOM 1650 C PHE A 101 -1.220 9.842 9.611 1.00 0.00 C ATOM 1651 O PHE A 101 -2.056 10.712 9.861 1.00 0.00 O ATOM 1652 CB PHE A 101 1.083 10.142 10.552 1.00 0.00 C ATOM 1653 CG PHE A 101 1.342 11.105 11.679 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.378 12.026 12.063 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.552 11.089 12.356 1.00 0.00 C ATOM 1656 CE1 PHE A 101 0.616 12.909 13.100 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.796 11.971 13.392 1.00 0.00 C ATOM 1658 CZ PHE A 101 1.827 12.881 13.764 1.00 0.00 C ATOM 0 H PHE A 101 0.950 7.673 10.349 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.669 9.578 11.664 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.904 9.427 10.502 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.080 10.691 9.611 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.570 12.054 11.546 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.313 10.378 12.070 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.144 13.620 13.390 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.744 11.948 13.910 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.016 13.571 14.574 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.117 9.255 8.416 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.003 9.607 7.307 1.00 0.00 C ATOM 1670 C ARG A 102 -3.412 9.056 7.542 1.00 0.00 C ATOM 1671 O ARG A 102 -4.401 9.687 7.169 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.456 9.079 5.973 1.00 0.00 C ATOM 1673 CG ARG A 102 0.020 9.379 5.734 1.00 0.00 C ATOM 1674 CD ARG A 102 0.233 10.793 5.213 1.00 0.00 C ATOM 1675 NE ARG A 102 1.390 10.882 4.321 1.00 0.00 N ATOM 1676 CZ ARG A 102 1.610 11.892 3.473 1.00 0.00 C ATOM 1677 NH1 ARG A 102 0.763 12.917 3.403 1.00 0.00 N ATOM 1678 NH2 ARG A 102 2.686 11.879 2.694 1.00 0.00 N ATOM 0 H ARG A 102 -0.430 8.535 8.193 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.051 10.695 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.606 8.000 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.038 9.511 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.573 9.247 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.425 8.663 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.660 11.122 4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.371 11.472 6.054 1.00 0.00 H new ATOM 0 HE ARG A 102 2.073 10.125 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.064 12.937 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.941 13.682 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.342 11.100 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.856 12.648 2.046 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.493 7.875 8.164 1.00 0.00 N ATOM 1693 CA TYR A 103 -4.778 7.234 8.453 1.00 0.00 C ATOM 1694 C TYR A 103 -5.640 8.086 9.391 1.00 0.00 C ATOM 1695 O TYR A 103 -6.864 7.963 9.393 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.560 5.847 9.068 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.673 4.864 8.761 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -5.861 4.377 7.473 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.533 4.424 9.761 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -6.874 3.479 7.190 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.547 3.526 9.485 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.713 3.057 8.199 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.722 2.162 7.922 1.00 0.00 O ATOM 0 H TYR A 103 -2.681 7.343 8.477 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.308 7.131 7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.617 5.441 8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.465 5.949 10.149 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.205 4.705 6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.407 4.790 10.769 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.007 3.110 6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.206 3.193 10.273 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.221 1.967 8.743 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.000 8.948 10.188 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.726 9.813 11.119 1.00 0.00 C ATOM 1715 C ALA A 104 -6.398 10.975 10.387 1.00 0.00 C ATOM 1716 O ALA A 104 -7.547 11.313 10.669 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.791 10.341 12.200 1.00 0.00 C ATOM 0 H ALA A 104 -3.987 9.064 10.206 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.505 9.214 11.590 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.349 10.982 12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.366 9.504 12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.988 10.915 11.738 1.00 0.00 H new ATOM 1723 N LYS A 105 -5.673 11.580 9.444 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.196 12.705 8.666 1.00 0.00 C ATOM 1725 C LYS A 105 -7.024 12.227 7.465 1.00 0.00 C ATOM 1726 O LYS A 105 -7.788 13.002 6.885 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.045 13.597 8.185 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.347 14.354 9.308 1.00 0.00 C ATOM 1729 CD LYS A 105 -2.928 13.847 9.532 1.00 0.00 C ATOM 1730 CE LYS A 105 -1.891 14.856 9.062 1.00 0.00 C ATOM 1731 NZ LYS A 105 -0.672 14.852 9.921 1.00 0.00 N ATOM 0 H LYS A 105 -4.720 11.309 9.200 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.853 13.280 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.312 12.980 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.431 14.314 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.320 15.417 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.921 14.249 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.779 13.638 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.789 12.906 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.609 14.632 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.331 15.853 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.174 14.951 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.717 15.646 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.621 13.957 10.448 1.00 0.00 H new ATOM 1745 N MET A 106 -6.866 10.953 7.095 1.00 0.00 N ATOM 1746 CA MET A 106 -7.593 10.373 5.966 1.00 0.00 C ATOM 1747 C MET A 106 -9.110 10.576 6.098 1.00 0.00 C ATOM 1748 O MET A 106 -9.743 11.117 5.191 1.00 0.00 O ATOM 1749 CB MET A 106 -7.261 8.879 5.839 1.00 0.00 C ATOM 1750 CG MET A 106 -7.977 8.179 4.695 1.00 0.00 C ATOM 1751 SD MET A 106 -7.936 6.382 4.849 1.00 0.00 S ATOM 1752 CE MET A 106 -9.116 6.127 6.174 1.00 0.00 C ATOM 0 H MET A 106 -6.237 10.302 7.565 1.00 0.00 H new ATOM 0 HA MET A 106 -7.273 10.891 5.062 1.00 0.00 H new ATOM 0 HB2 MET A 106 -6.185 8.767 5.703 1.00 0.00 H new ATOM 0 HB3 MET A 106 -7.518 8.380 6.774 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.014 8.514 4.661 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.517 8.470 3.751 1.00 0.00 H new ATOM 0 HE1 MET A 106 -9.469 5.096 6.153 1.00 0.00 H new ATOM 0 HE2 MET A 106 -8.636 6.327 7.132 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.961 6.803 6.044 1.00 0.00 H new ATOM 1762 N PRO A 107 -9.721 10.145 7.226 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.168 10.289 7.442 1.00 0.00 C ATOM 1764 C PRO A 107 -11.626 11.748 7.407 1.00 0.00 C ATOM 1765 O PRO A 107 -12.363 12.146 6.504 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.402 9.676 8.829 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.060 9.638 9.476 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.063 9.482 8.364 1.00 0.00 C ATOM 0 HA PRO A 107 -11.740 9.799 6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.102 10.276 9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.829 8.676 8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.874 10.552 10.040 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.991 8.809 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.111 9.953 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.855 8.433 8.154 1.00 0.00 H new ATOM 1776 N ASP A 108 -11.182 12.542 8.386 1.00 0.00 N ATOM 1777 CA ASP A 108 -11.547 13.956 8.454 1.00 0.00 C ATOM 1778 C ASP A 108 -10.328 14.817 8.770 1.00 0.00 C ATOM 1779 O ASP A 108 -9.313 14.318 9.262 1.00 0.00 O ATOM 1780 CB ASP A 108 -12.630 14.185 9.516 1.00 0.00 C ATOM 1781 CG ASP A 108 -14.041 14.092 8.958 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.249 14.464 7.782 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -14.941 13.651 9.703 1.00 0.00 O ATOM 0 H ASP A 108 -10.571 12.228 9.140 1.00 0.00 H new ATOM 0 HA ASP A 108 -11.939 14.246 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.511 13.450 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -12.488 15.168 9.966 1.00 0.00 H new