USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 995 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 59 THR OG1 : rot 170:sc= 1.04 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot -2:sc= 0.666 USER MOD Set 2.2: A 98 MET CE :methyl 169:sc= -0.302 (180deg=-0.186) USER MOD Set 3.1: A 16 THR OG1 : rot 42:sc= 0.28 USER MOD Set 3.2: A 20 ASN : amide:sc= 0.593 K(o=0.87,f=0.13) USER MOD Set 4.1: A 9 TYR OH : rot -54:sc= 1.19 USER MOD Set 4.2: A 11 GLN : amide:sc= 1.04 K(o=2.2,f=-2) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 110:sc= 0.226 USER MOD Single : A 26 ASN : amide:sc= 0.49 K(o=0.49,f=-0.018) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.58! C(o=-2.6!,f=-9.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00809) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.862 K(o=0.86,f=-0.079) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.17) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= 0.642 (180deg=0.187) USER MOD Single : A 50 MET CE :methyl 162:sc= -0.762 (180deg=-2.91) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 121:sc= 0.953 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0972 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.78) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -127:sc= -0.0315 (180deg=-1.03) USER MOD Single : A 76 LYS NZ :NH3+ -118:sc= 1.23 (180deg=-0.416) USER MOD Single : A 77 SER OG : rot -103:sc= 0.0221 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 84 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.077) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 134:sc= 1.25 (180deg=0.0587) USER MOD Single : A 93 TYR OH : rot 150:sc= -0.283 USER MOD Single : A 102 GLN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0335 K(o=-0.033,f=-0.82) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.299 K(o=0.3,f=-0.54) USER MOD Single : A 112 SER OG : rot 108:sc= 0.0874 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 62:sc= 1.36 USER MOD Single : A 121 GLN : amide:sc= -0.412 K(o=-0.41,f=-4.2!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.504 9.924 0.327 1.00 0.00 N ATOM 34 CA ALA A 4 -19.834 8.666 0.649 1.00 0.00 C ATOM 35 C ALA A 4 -19.599 7.801 -0.587 1.00 0.00 C ATOM 36 O ALA A 4 -19.814 6.586 -0.556 1.00 0.00 O ATOM 37 CB ALA A 4 -20.558 7.913 1.765 1.00 0.00 C ATOM 0 HA ALA A 4 -18.844 8.918 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.031 6.983 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.582 8.530 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.577 7.689 1.451 1.00 0.00 H new ATOM 43 N LEU A 5 -19.204 8.443 -1.689 1.00 0.00 N ATOM 44 CA LEU A 5 -19.131 7.788 -2.985 1.00 0.00 C ATOM 45 C LEU A 5 -18.143 6.633 -2.924 1.00 0.00 C ATOM 46 O LEU A 5 -17.216 6.646 -2.114 1.00 0.00 O ATOM 47 CB LEU A 5 -18.726 8.780 -4.080 1.00 0.00 C ATOM 48 CG LEU A 5 -19.905 9.594 -4.578 1.00 0.00 C ATOM 49 CD1 LEU A 5 -19.443 10.908 -5.188 1.00 0.00 C ATOM 50 CD2 LEU A 5 -20.703 8.815 -5.621 1.00 0.00 C ATOM 0 H LEU A 5 -18.929 9.425 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 5 -20.119 7.400 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.959 9.452 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -18.283 8.237 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.541 9.802 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.308 11.471 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.910 11.490 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.779 10.705 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.543 9.420 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.060 8.576 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -21.077 7.892 -5.178 1.00 0.00 H new ATOM 62 N PRO A 6 -18.341 5.612 -3.756 1.00 0.00 N ATOM 63 CA PRO A 6 -17.490 4.450 -3.785 1.00 0.00 C ATOM 64 C PRO A 6 -16.131 4.803 -4.379 1.00 0.00 C ATOM 65 O PRO A 6 -15.935 5.808 -5.051 1.00 0.00 O ATOM 66 CB PRO A 6 -18.230 3.436 -4.655 1.00 0.00 C ATOM 67 CG PRO A 6 -19.018 4.318 -5.619 1.00 0.00 C ATOM 68 CD PRO A 6 -19.328 5.574 -4.809 1.00 0.00 C ATOM 0 HA PRO A 6 -17.295 4.053 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.540 2.778 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.887 2.799 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.436 4.552 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.930 3.825 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.270 6.466 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.337 5.536 -4.399 1.00 0.00 H new ATOM 76 N LEU A 7 -15.209 3.896 -4.117 1.00 0.00 N ATOM 77 CA LEU A 7 -13.810 3.904 -4.498 1.00 0.00 C ATOM 78 C LEU A 7 -13.528 4.247 -5.967 1.00 0.00 C ATOM 79 O LEU A 7 -13.530 3.368 -6.835 1.00 0.00 O ATOM 80 CB LEU A 7 -13.262 2.523 -4.153 1.00 0.00 C ATOM 81 CG LEU A 7 -11.739 2.512 -4.112 1.00 0.00 C ATOM 82 CD1 LEU A 7 -11.238 3.448 -3.009 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.336 1.066 -3.868 1.00 0.00 C ATOM 0 H LEU A 7 -15.442 3.059 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.317 4.707 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.654 2.208 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.611 1.799 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.296 2.873 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.148 3.434 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.584 4.462 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.625 3.115 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.249 0.993 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.757 0.725 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.712 0.442 -4.678 1.00 0.00 H new ATOM 95 N TYR A 8 -13.190 5.500 -6.253 1.00 0.00 N ATOM 96 CA TYR A 8 -12.954 5.995 -7.605 1.00 0.00 C ATOM 97 C TYR A 8 -11.462 6.136 -7.956 1.00 0.00 C ATOM 98 O TYR A 8 -11.150 6.768 -8.972 1.00 0.00 O ATOM 99 CB TYR A 8 -13.788 7.264 -7.839 1.00 0.00 C ATOM 100 CG TYR A 8 -13.724 8.346 -6.775 1.00 0.00 C ATOM 101 CD1 TYR A 8 -12.566 9.128 -6.624 1.00 0.00 C ATOM 102 CD2 TYR A 8 -14.847 8.601 -5.966 1.00 0.00 C ATOM 103 CE1 TYR A 8 -12.525 10.141 -5.651 1.00 0.00 C ATOM 104 CE2 TYR A 8 -14.815 9.598 -4.975 1.00 0.00 C ATOM 105 CZ TYR A 8 -13.636 10.368 -4.809 1.00 0.00 C ATOM 106 OH TYR A 8 -13.541 11.346 -3.870 1.00 0.00 O ATOM 0 H TYR A 8 -13.070 6.215 -5.536 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.298 5.243 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.475 7.703 -8.786 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.830 6.966 -7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.708 8.950 -7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.747 8.022 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.639 10.749 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.677 9.775 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.378 11.394 -3.362 1.00 0.00 H new ATOM 116 N TYR A 9 -10.537 5.560 -7.173 1.00 0.00 N ATOM 117 CA TYR A 9 -9.096 5.563 -7.449 1.00 0.00 C ATOM 118 C TYR A 9 -8.364 4.637 -6.484 1.00 0.00 C ATOM 119 O TYR A 9 -8.744 4.607 -5.310 1.00 0.00 O ATOM 120 CB TYR A 9 -8.589 6.973 -7.175 1.00 0.00 C ATOM 121 CG TYR A 9 -7.108 7.209 -7.368 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.614 7.576 -8.630 1.00 0.00 C ATOM 123 CD2 TYR A 9 -6.240 7.120 -6.265 1.00 0.00 C ATOM 124 CE1 TYR A 9 -5.251 7.878 -8.792 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.890 7.466 -6.408 1.00 0.00 C ATOM 126 CZ TYR A 9 -4.387 7.857 -7.673 1.00 0.00 C ATOM 127 OH TYR A 9 -3.091 8.258 -7.789 1.00 0.00 O ATOM 0 H TYR A 9 -10.777 5.069 -6.312 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.923 5.239 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.131 7.662 -7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.845 7.233 -6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.282 7.626 -9.477 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.614 6.785 -5.309 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.864 8.126 -9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.232 7.435 -5.552 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.658 7.761 -8.514 1.00 0.00 H new ATOM 137 N LEU A 10 -7.269 3.972 -6.897 1.00 0.00 N ATOM 138 CA LEU A 10 -6.453 3.146 -6.021 1.00 0.00 C ATOM 139 C LEU A 10 -4.995 3.362 -6.381 1.00 0.00 C ATOM 140 O LEU A 10 -4.614 3.304 -7.555 1.00 0.00 O ATOM 141 CB LEU A 10 -6.918 1.711 -6.268 1.00 0.00 C ATOM 142 CG LEU A 10 -6.420 0.499 -5.471 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.971 0.594 -5.011 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.193 0.113 -4.213 1.00 0.00 C ATOM 0 H LEU A 10 -6.932 4.001 -7.859 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.554 3.388 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.003 1.720 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.702 1.497 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.572 -0.260 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.706 -0.306 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.319 0.690 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.850 1.466 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.728 -0.760 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.180 0.944 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.224 -0.122 -4.477 1.00 0.00 H new ATOM 156 N GLN A 11 -4.167 3.552 -5.363 1.00 0.00 N ATOM 157 CA GLN A 11 -2.726 3.666 -5.524 1.00 0.00 C ATOM 158 C GLN A 11 -2.046 3.224 -4.233 1.00 0.00 C ATOM 159 O GLN A 11 -2.564 3.488 -3.145 1.00 0.00 O ATOM 160 CB GLN A 11 -2.399 5.133 -5.836 1.00 0.00 C ATOM 161 CG GLN A 11 -1.229 5.329 -6.796 1.00 0.00 C ATOM 162 CD GLN A 11 -1.661 5.485 -8.255 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.412 6.522 -8.859 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.388 4.541 -8.827 1.00 0.00 N ATOM 0 H GLN A 11 -4.480 3.632 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.369 3.033 -6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.284 5.607 -6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.177 5.649 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.666 6.212 -6.495 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.554 4.477 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.593 3.679 -8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.744 4.674 -9.774 1.00 0.00 H new ATOM 173 N ILE A 12 -0.894 2.559 -4.350 1.00 0.00 N ATOM 174 CA ILE A 12 -0.013 2.298 -3.206 1.00 0.00 C ATOM 175 C ILE A 12 0.492 3.589 -2.527 1.00 0.00 C ATOM 176 O ILE A 12 0.688 3.560 -1.321 1.00 0.00 O ATOM 177 CB ILE A 12 1.184 1.404 -3.599 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.813 0.155 -4.432 1.00 0.00 C ATOM 179 CG2 ILE A 12 1.947 0.935 -2.336 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.199 -0.796 -3.783 1.00 0.00 C ATOM 0 H ILE A 12 -0.546 2.188 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.626 1.765 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 12 1.806 2.037 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.412 0.485 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.725 -0.403 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.787 0.306 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.317 1.803 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.274 0.365 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.388 -1.637 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.202 -1.165 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.132 -0.263 -3.597 1.00 0.00 H new ATOM 192 N THR A 13 0.695 4.696 -3.256 1.00 0.00 N ATOM 193 CA THR A 13 1.169 6.009 -2.770 1.00 0.00 C ATOM 194 C THR A 13 2.574 6.005 -2.152 1.00 0.00 C ATOM 195 O THR A 13 3.486 6.606 -2.722 1.00 0.00 O ATOM 196 CB THR A 13 0.167 6.723 -1.831 1.00 0.00 C ATOM 197 OG1 THR A 13 -1.011 6.000 -1.589 1.00 0.00 O ATOM 198 CG2 THR A 13 -0.227 8.086 -2.384 1.00 0.00 C ATOM 0 H THR A 13 0.524 4.704 -4.261 1.00 0.00 H new ATOM 0 HA THR A 13 1.240 6.590 -3.690 1.00 0.00 H new ATOM 0 HB THR A 13 0.701 6.820 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.015 5.682 -0.662 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.932 8.565 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.662 8.709 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.694 7.961 -3.361 1.00 0.00 H new ATOM 206 N GLY A 14 2.767 5.375 -0.996 1.00 0.00 N ATOM 207 CA GLY A 14 4.045 5.267 -0.307 1.00 0.00 C ATOM 208 C GLY A 14 4.228 3.877 0.284 1.00 0.00 C ATOM 209 O GLY A 14 3.259 3.136 0.463 1.00 0.00 O ATOM 0 H GLY A 14 2.009 4.910 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.857 5.480 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.100 6.013 0.485 1.00 0.00 H new ATOM 213 N ILE A 15 5.468 3.527 0.602 1.00 0.00 N ATOM 214 CA ILE A 15 5.863 2.199 1.093 1.00 0.00 C ATOM 215 C ILE A 15 7.154 2.374 1.914 1.00 0.00 C ATOM 216 O ILE A 15 7.927 3.286 1.632 1.00 0.00 O ATOM 217 CB ILE A 15 6.115 1.283 -0.120 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.185 -0.202 0.265 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.359 1.667 -0.943 1.00 0.00 C ATOM 220 CD1 ILE A 15 5.694 -1.124 -0.860 1.00 0.00 C ATOM 0 H ILE A 15 6.254 4.173 0.526 1.00 0.00 H new ATOM 0 HA ILE A 15 5.088 1.752 1.715 1.00 0.00 H new ATOM 0 HB ILE A 15 5.244 1.439 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.213 -0.460 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.583 -0.371 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.470 0.976 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.244 2.682 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.245 1.615 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.764 -2.162 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.657 -0.887 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.312 -0.978 -1.746 1.00 0.00 H new ATOM 232 N THR A 16 7.447 1.495 2.864 1.00 0.00 N ATOM 233 CA THR A 16 8.694 1.443 3.614 1.00 0.00 C ATOM 234 C THR A 16 8.754 0.112 4.378 1.00 0.00 C ATOM 235 O THR A 16 7.960 -0.792 4.106 1.00 0.00 O ATOM 236 CB THR A 16 8.801 2.682 4.514 1.00 0.00 C ATOM 237 OG1 THR A 16 10.110 2.774 4.989 1.00 0.00 O ATOM 238 CG2 THR A 16 7.841 2.707 5.708 1.00 0.00 C ATOM 0 H THR A 16 6.791 0.766 3.145 1.00 0.00 H new ATOM 0 HA THR A 16 9.561 1.471 2.954 1.00 0.00 H new ATOM 0 HB THR A 16 8.518 3.530 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.736 2.569 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.996 3.622 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.812 2.673 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.031 1.844 6.346 1.00 0.00 H new ATOM 246 N SER A 17 9.691 -0.077 5.312 1.00 0.00 N ATOM 247 CA SER A 17 9.789 -1.259 6.164 1.00 0.00 C ATOM 248 C SER A 17 10.513 -0.919 7.481 1.00 0.00 C ATOM 249 O SER A 17 11.000 0.204 7.630 1.00 0.00 O ATOM 250 CB SER A 17 10.484 -2.369 5.375 1.00 0.00 C ATOM 251 OG SER A 17 9.643 -2.813 4.330 1.00 0.00 O ATOM 0 H SER A 17 10.422 0.610 5.499 1.00 0.00 H new ATOM 0 HA SER A 17 8.797 -1.611 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.425 -2.002 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.727 -3.200 6.037 1.00 0.00 H new ATOM 0 HG SER A 17 8.792 -2.329 4.367 1.00 0.00 H new ATOM 257 N ASP A 18 10.582 -1.864 8.435 1.00 0.00 N ATOM 258 CA ASP A 18 11.363 -1.741 9.683 1.00 0.00 C ATOM 259 C ASP A 18 12.818 -1.465 9.325 1.00 0.00 C ATOM 260 O ASP A 18 13.366 -0.419 9.681 1.00 0.00 O ATOM 261 CB ASP A 18 11.234 -3.019 10.548 1.00 0.00 C ATOM 262 CG ASP A 18 12.167 -3.115 11.776 1.00 0.00 C ATOM 263 OD1 ASP A 18 13.047 -2.249 11.991 1.00 0.00 O ATOM 264 OD2 ASP A 18 12.014 -4.081 12.556 1.00 0.00 O ATOM 0 H ASP A 18 10.087 -2.753 8.361 1.00 0.00 H new ATOM 0 HA ASP A 18 10.973 -0.914 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.204 -3.094 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.419 -3.883 9.910 1.00 0.00 H new ATOM 269 N GLY A 19 13.429 -2.355 8.535 1.00 0.00 N ATOM 270 CA GLY A 19 14.751 -2.134 7.980 1.00 0.00 C ATOM 271 C GLY A 19 14.674 -1.153 6.811 1.00 0.00 C ATOM 272 O GLY A 19 15.032 -1.477 5.683 1.00 0.00 O ATOM 0 H GLY A 19 13.013 -3.247 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.416 -1.743 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.175 -3.080 7.643 1.00 0.00 H new ATOM 276 N ASN A 20 14.141 0.039 7.038 1.00 0.00 N ATOM 277 CA ASN A 20 14.144 1.124 6.073 1.00 0.00 C ATOM 278 C ASN A 20 14.174 2.496 6.751 1.00 0.00 C ATOM 279 O ASN A 20 14.022 3.508 6.070 1.00 0.00 O ATOM 280 CB ASN A 20 12.870 1.006 5.233 1.00 0.00 C ATOM 281 CG ASN A 20 13.074 1.392 3.788 1.00 0.00 C ATOM 282 OD1 ASN A 20 12.351 2.227 3.264 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.002 0.732 3.111 1.00 0.00 N ATOM 0 H ASN A 20 13.685 0.282 7.918 1.00 0.00 H new ATOM 0 HA ASN A 20 15.041 1.045 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.505 -0.020 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.097 1.640 5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.133 0.913 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.585 0.043 3.585 1.00 0.00 H new ATOM 290 N ASP A 21 14.310 2.560 8.080 1.00 0.00 N ATOM 291 CA ASP A 21 14.157 3.784 8.886 1.00 0.00 C ATOM 292 C ASP A 21 12.772 4.437 8.707 1.00 0.00 C ATOM 293 O ASP A 21 12.614 5.655 8.808 1.00 0.00 O ATOM 294 CB ASP A 21 15.309 4.766 8.609 1.00 0.00 C ATOM 295 CG ASP A 21 15.618 5.698 9.783 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.925 5.676 10.825 1.00 0.00 O ATOM 297 OD2 ASP A 21 16.653 6.403 9.707 1.00 0.00 O ATOM 0 H ASP A 21 14.536 1.741 8.644 1.00 0.00 H new ATOM 0 HA ASP A 21 14.214 3.496 9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.206 4.199 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.060 5.367 7.735 1.00 0.00 H new ATOM 302 N PHE A 22 11.754 3.622 8.390 1.00 0.00 N ATOM 303 CA PHE A 22 10.410 4.051 8.004 1.00 0.00 C ATOM 304 C PHE A 22 10.422 5.094 6.866 1.00 0.00 C ATOM 305 O PHE A 22 9.496 5.898 6.783 1.00 0.00 O ATOM 306 CB PHE A 22 9.588 4.539 9.220 1.00 0.00 C ATOM 307 CG PHE A 22 9.296 3.565 10.352 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.334 3.142 11.204 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.966 3.193 10.646 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.050 2.365 12.338 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.680 2.432 11.796 1.00 0.00 C ATOM 312 CZ PHE A 22 8.725 2.014 12.638 1.00 0.00 C ATOM 0 H PHE A 22 11.853 2.607 8.397 1.00 0.00 H new ATOM 0 HA PHE A 22 9.910 3.167 7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.110 5.394 9.648 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.632 4.904 8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.355 3.417 10.984 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.165 3.493 9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.853 2.037 12.981 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.659 2.170 12.031 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.508 1.423 13.515 1.00 0.00 H new ATOM 322 N ALA A 23 11.450 5.117 6.006 1.00 0.00 N ATOM 323 CA ALA A 23 11.534 5.972 4.826 1.00 0.00 C ATOM 324 C ALA A 23 10.379 5.704 3.843 1.00 0.00 C ATOM 325 O ALA A 23 10.493 4.835 2.978 1.00 0.00 O ATOM 326 CB ALA A 23 12.907 5.787 4.163 1.00 0.00 C ATOM 0 H ALA A 23 12.269 4.520 6.121 1.00 0.00 H new ATOM 0 HA ALA A 23 11.432 7.012 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.974 6.424 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.692 6.061 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.031 4.745 3.868 1.00 0.00 H new ATOM 332 N TRP A 24 9.262 6.422 4.000 1.00 0.00 N ATOM 333 CA TRP A 24 7.987 6.216 3.306 1.00 0.00 C ATOM 334 C TRP A 24 7.998 6.404 1.793 1.00 0.00 C ATOM 335 O TRP A 24 7.054 5.949 1.131 1.00 0.00 O ATOM 336 CB TRP A 24 6.931 7.126 3.937 1.00 0.00 C ATOM 337 CG TRP A 24 6.374 6.568 5.196 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.581 7.011 6.453 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.569 5.372 5.316 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.936 6.180 7.346 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.280 5.158 6.693 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.071 4.448 4.378 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.494 4.081 7.113 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.297 3.358 4.795 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.990 3.190 6.154 1.00 0.00 C ATOM 0 H TRP A 24 9.221 7.206 4.651 1.00 0.00 H new ATOM 0 HA TRP A 24 7.757 5.159 3.437 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.372 8.102 4.140 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.121 7.285 3.225 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.162 7.882 6.719 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.944 6.306 8.358 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.288 4.581 3.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.278 3.937 8.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.935 2.645 4.069 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.361 2.369 6.464 1.00 0.00 H new ATOM 356 N ASP A 25 9.032 7.063 1.267 1.00 0.00 N ATOM 357 CA ASP A 25 9.206 7.435 -0.135 1.00 0.00 C ATOM 358 C ASP A 25 7.949 8.118 -0.717 1.00 0.00 C ATOM 359 O ASP A 25 6.954 8.383 -0.034 1.00 0.00 O ATOM 360 CB ASP A 25 9.671 6.197 -0.936 1.00 0.00 C ATOM 361 CG ASP A 25 11.196 6.117 -1.055 1.00 0.00 C ATOM 362 OD1 ASP A 25 11.791 7.043 -1.657 1.00 0.00 O ATOM 363 OD2 ASP A 25 11.801 5.119 -0.601 1.00 0.00 O ATOM 0 H ASP A 25 9.816 7.369 1.844 1.00 0.00 H new ATOM 0 HA ASP A 25 9.986 8.192 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.299 5.294 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.233 6.227 -1.933 1.00 0.00 H new ATOM 368 N ASN A 26 7.962 8.466 -2.004 1.00 0.00 N ATOM 369 CA ASN A 26 6.754 8.697 -2.787 1.00 0.00 C ATOM 370 C ASN A 26 6.830 7.832 -4.022 1.00 0.00 C ATOM 371 O ASN A 26 7.712 8.014 -4.862 1.00 0.00 O ATOM 372 CB ASN A 26 6.628 10.173 -3.227 1.00 0.00 C ATOM 373 CG ASN A 26 5.795 11.029 -2.294 1.00 0.00 C ATOM 374 OD1 ASN A 26 5.196 12.013 -2.716 1.00 0.00 O ATOM 375 ND2 ASN A 26 5.754 10.674 -1.026 1.00 0.00 N ATOM 0 H ASN A 26 8.823 8.596 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 26 5.887 8.454 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.626 10.604 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.188 10.207 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.211 11.224 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.265 9.849 -0.710 1.00 0.00 H new ATOM 382 N LEU A 27 5.924 6.873 -4.131 1.00 0.00 N ATOM 383 CA LEU A 27 5.821 6.013 -5.299 1.00 0.00 C ATOM 384 C LEU A 27 5.225 6.844 -6.418 1.00 0.00 C ATOM 385 O LEU A 27 4.192 7.495 -6.225 1.00 0.00 O ATOM 386 CB LEU A 27 4.953 4.781 -5.012 1.00 0.00 C ATOM 387 CG LEU A 27 5.429 3.978 -3.791 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.410 2.882 -3.510 1.00 0.00 C ATOM 389 CD2 LEU A 27 6.835 3.385 -3.900 1.00 0.00 C ATOM 0 H LEU A 27 5.235 6.668 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 27 6.806 5.640 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.923 5.099 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.953 4.132 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 27 5.502 4.687 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.730 2.300 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.439 3.332 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.330 2.228 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.072 2.839 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.878 2.705 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.559 4.188 -4.041 1.00 0.00 H new ATOM 401 N THR A 28 5.867 6.850 -7.579 1.00 0.00 N ATOM 402 CA THR A 28 5.399 7.614 -8.719 1.00 0.00 C ATOM 403 C THR A 28 3.989 7.142 -9.124 1.00 0.00 C ATOM 404 O THR A 28 3.656 5.962 -8.983 1.00 0.00 O ATOM 405 CB THR A 28 6.443 7.560 -9.863 1.00 0.00 C ATOM 406 OG1 THR A 28 7.224 6.378 -9.937 1.00 0.00 O ATOM 407 CG2 THR A 28 7.438 8.716 -9.709 1.00 0.00 C ATOM 0 H THR A 28 6.724 6.325 -7.753 1.00 0.00 H new ATOM 0 HA THR A 28 5.300 8.668 -8.458 1.00 0.00 H new ATOM 0 HB THR A 28 5.838 7.611 -10.768 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.847 6.444 -10.690 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.171 8.675 -10.515 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.903 9.665 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.949 8.631 -8.750 1.00 0.00 H new ATOM 415 N SER A 29 3.169 8.053 -9.657 1.00 0.00 N ATOM 416 CA SER A 29 1.768 7.805 -10.045 1.00 0.00 C ATOM 417 C SER A 29 1.621 6.648 -11.046 1.00 0.00 C ATOM 418 O SER A 29 0.535 6.100 -11.216 1.00 0.00 O ATOM 419 CB SER A 29 1.164 9.071 -10.676 1.00 0.00 C ATOM 420 OG SER A 29 1.361 10.239 -9.885 1.00 0.00 O ATOM 0 H SER A 29 3.465 9.012 -9.837 1.00 0.00 H new ATOM 0 HA SER A 29 1.240 7.532 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.608 9.227 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.096 8.919 -10.829 1.00 0.00 H new ATOM 0 HG SER A 29 0.959 11.011 -10.335 1.00 0.00 H new ATOM 426 N SER A 30 2.710 6.275 -11.713 1.00 0.00 N ATOM 427 CA SER A 30 2.749 5.306 -12.793 1.00 0.00 C ATOM 428 C SER A 30 3.741 4.181 -12.486 1.00 0.00 C ATOM 429 O SER A 30 4.018 3.387 -13.377 1.00 0.00 O ATOM 430 CB SER A 30 3.138 6.041 -14.083 1.00 0.00 C ATOM 431 OG SER A 30 2.582 7.349 -14.121 1.00 0.00 O ATOM 0 H SER A 30 3.630 6.661 -11.501 1.00 0.00 H new ATOM 0 HA SER A 30 1.768 4.844 -12.910 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.224 6.103 -14.155 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.793 5.472 -14.946 1.00 0.00 H new ATOM 0 HG SER A 30 2.848 7.793 -14.953 1.00 0.00 H new ATOM 437 N GLN A 31 4.300 4.141 -11.268 1.00 0.00 N ATOM 438 CA GLN A 31 5.441 3.309 -10.920 1.00 0.00 C ATOM 439 C GLN A 31 5.158 1.831 -11.179 1.00 0.00 C ATOM 440 O GLN A 31 4.019 1.376 -11.076 1.00 0.00 O ATOM 441 CB GLN A 31 5.804 3.565 -9.453 1.00 0.00 C ATOM 442 CG GLN A 31 7.192 3.063 -9.059 1.00 0.00 C ATOM 443 CD GLN A 31 7.487 3.245 -7.576 1.00 0.00 C ATOM 444 OE1 GLN A 31 6.852 2.592 -6.762 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.439 4.090 -7.192 1.00 0.00 N ATOM 0 H GLN A 31 3.958 4.701 -10.487 1.00 0.00 H new ATOM 0 HA GLN A 31 6.288 3.573 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.747 4.636 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.061 3.084 -8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.277 2.007 -9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.944 3.594 -9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.957 4.625 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.651 4.203 -6.201 1.00 0.00 H new ATOM 454 N THR A 32 6.220 1.080 -11.449 1.00 0.00 N ATOM 455 CA THR A 32 6.177 -0.348 -11.725 1.00 0.00 C ATOM 456 C THR A 32 7.230 -1.136 -10.925 1.00 0.00 C ATOM 457 O THR A 32 7.209 -2.368 -10.920 1.00 0.00 O ATOM 458 CB THR A 32 6.337 -0.513 -13.243 1.00 0.00 C ATOM 459 OG1 THR A 32 7.500 0.161 -13.690 1.00 0.00 O ATOM 460 CG2 THR A 32 5.133 0.067 -13.996 1.00 0.00 C ATOM 0 H THR A 32 7.165 1.463 -11.482 1.00 0.00 H new ATOM 0 HA THR A 32 5.226 -0.769 -11.400 1.00 0.00 H new ATOM 0 HB THR A 32 6.413 -1.581 -13.446 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.592 0.047 -14.659 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.276 -0.065 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.226 -0.450 -13.685 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.040 1.129 -13.771 1.00 0.00 H new ATOM 468 N LYS A 33 8.142 -0.444 -10.224 1.00 0.00 N ATOM 469 CA LYS A 33 9.150 -1.046 -9.355 1.00 0.00 C ATOM 470 C LYS A 33 9.488 -0.084 -8.228 1.00 0.00 C ATOM 471 O LYS A 33 9.477 1.128 -8.444 1.00 0.00 O ATOM 472 CB LYS A 33 10.424 -1.366 -10.150 1.00 0.00 C ATOM 473 CG LYS A 33 11.145 -2.600 -9.593 1.00 0.00 C ATOM 474 CD LYS A 33 12.242 -2.407 -8.521 1.00 0.00 C ATOM 475 CE LYS A 33 13.658 -2.196 -9.086 1.00 0.00 C ATOM 476 NZ LYS A 33 13.877 -0.841 -9.648 1.00 0.00 N ATOM 0 H LYS A 33 8.195 0.574 -10.251 1.00 0.00 H new ATOM 0 HA LYS A 33 8.749 -1.973 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.168 -1.535 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.096 -0.508 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.388 -3.262 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.596 -3.125 -10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.980 -1.549 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.252 -3.280 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.386 -2.374 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.844 -2.937 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.854 -0.763 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.217 -0.681 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.714 -0.128 -8.909 1.00 0.00 H new ATOM 490 N ALA A 34 9.817 -0.636 -7.069 1.00 0.00 N ATOM 491 CA ALA A 34 10.101 0.044 -5.821 1.00 0.00 C ATOM 492 C ALA A 34 11.294 1.004 -5.951 1.00 0.00 C ATOM 493 O ALA A 34 12.135 0.862 -6.849 1.00 0.00 O ATOM 494 CB ALA A 34 10.413 -1.019 -4.759 1.00 0.00 C ATOM 0 H ALA A 34 9.897 -1.648 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 34 9.232 0.639 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.631 -0.531 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.553 -1.678 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.278 -1.604 -5.073 1.00 0.00 H new ATOM 500 N PRO A 35 11.424 1.943 -5.002 1.00 0.00 N ATOM 501 CA PRO A 35 12.617 2.762 -4.848 1.00 0.00 C ATOM 502 C PRO A 35 13.785 1.997 -4.226 1.00 0.00 C ATOM 503 O PRO A 35 14.928 2.403 -4.428 1.00 0.00 O ATOM 504 CB PRO A 35 12.212 3.919 -3.944 1.00 0.00 C ATOM 505 CG PRO A 35 11.054 3.345 -3.130 1.00 0.00 C ATOM 506 CD PRO A 35 10.404 2.324 -4.043 1.00 0.00 C ATOM 0 HA PRO A 35 12.968 3.094 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.035 4.235 -3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.904 4.791 -4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.409 2.882 -2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.348 4.124 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.057 1.459 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.534 2.747 -4.545 1.00 0.00 H new ATOM 514 N ASN A 36 13.535 0.951 -3.427 1.00 0.00 N ATOM 515 CA ASN A 36 14.592 0.325 -2.638 1.00 0.00 C ATOM 516 C ASN A 36 14.337 -1.159 -2.414 1.00 0.00 C ATOM 517 O ASN A 36 13.188 -1.608 -2.457 1.00 0.00 O ATOM 518 CB ASN A 36 14.695 1.045 -1.279 1.00 0.00 C ATOM 519 CG ASN A 36 16.089 1.606 -1.087 1.00 0.00 C ATOM 520 OD1 ASN A 36 17.022 0.853 -0.831 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.262 2.908 -1.225 1.00 0.00 N ATOM 0 H ASN A 36 12.615 0.526 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 36 15.527 0.414 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.962 1.850 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.461 0.350 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.192 3.313 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.466 3.509 -1.438 1.00 0.00 H new ATOM 528 N VAL A 37 15.394 -1.900 -2.071 1.00 0.00 N ATOM 529 CA VAL A 37 15.283 -3.115 -1.278 1.00 0.00 C ATOM 530 C VAL A 37 14.890 -2.720 0.139 1.00 0.00 C ATOM 531 O VAL A 37 15.695 -2.210 0.917 1.00 0.00 O ATOM 532 CB VAL A 37 16.535 -3.996 -1.391 1.00 0.00 C ATOM 533 CG1 VAL A 37 17.839 -3.284 -1.311 1.00 0.00 C ATOM 534 CG2 VAL A 37 16.560 -5.183 -0.451 1.00 0.00 C ATOM 0 H VAL A 37 16.351 -1.669 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 37 14.496 -3.762 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 37 16.429 -4.363 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.653 -4.004 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.906 -2.556 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.915 -2.770 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.480 -5.747 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.514 -4.832 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.703 -5.826 -0.654 1.00 0.00 H new ATOM 544 N LEU A 38 13.614 -2.888 0.450 1.00 0.00 N ATOM 545 CA LEU A 38 13.071 -2.653 1.776 1.00 0.00 C ATOM 546 C LEU A 38 13.458 -3.848 2.650 1.00 0.00 C ATOM 547 O LEU A 38 13.222 -4.997 2.263 1.00 0.00 O ATOM 548 CB LEU A 38 11.550 -2.464 1.693 1.00 0.00 C ATOM 549 CG LEU A 38 11.056 -1.605 0.512 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.541 -1.664 0.392 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.507 -0.151 0.668 1.00 0.00 C ATOM 0 H LEU A 38 12.915 -3.197 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 38 13.476 -1.742 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.082 -3.446 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.206 -2.008 2.621 1.00 0.00 H new ATOM 0 HG LEU A 38 11.495 -2.013 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.218 -1.050 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.229 -2.695 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.088 -1.289 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.146 0.435 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.101 0.259 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.596 -0.109 0.700 1.00 0.00 H new ATOM 563 N LYS A 39 14.099 -3.600 3.798 1.00 0.00 N ATOM 564 CA LYS A 39 14.647 -4.665 4.644 1.00 0.00 C ATOM 565 C LYS A 39 13.760 -4.877 5.868 1.00 0.00 C ATOM 566 O LYS A 39 12.876 -4.071 6.158 1.00 0.00 O ATOM 567 CB LYS A 39 16.108 -4.382 5.047 1.00 0.00 C ATOM 568 CG LYS A 39 17.025 -3.905 3.904 1.00 0.00 C ATOM 569 CD LYS A 39 17.142 -2.375 3.841 1.00 0.00 C ATOM 570 CE LYS A 39 18.084 -1.800 2.789 1.00 0.00 C ATOM 571 NZ LYS A 39 19.469 -2.296 2.881 1.00 0.00 N ATOM 0 H LYS A 39 14.252 -2.661 4.165 1.00 0.00 H new ATOM 0 HA LYS A 39 14.656 -5.587 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.111 -3.627 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.532 -5.290 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.017 -4.337 4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.639 -4.276 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.147 -1.965 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.467 -2.019 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.691 -2.034 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.092 -0.714 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.045 -1.859 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.865 -2.050 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.476 -3.329 2.764 1.00 0.00 H new ATOM 585 N GLY A 40 14.017 -5.918 6.659 1.00 0.00 N ATOM 586 CA GLY A 40 13.368 -6.092 7.960 1.00 0.00 C ATOM 587 C GLY A 40 12.060 -6.887 7.935 1.00 0.00 C ATOM 588 O GLY A 40 11.391 -6.971 8.959 1.00 0.00 O ATOM 0 H GLY A 40 14.675 -6.660 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.066 -6.592 8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.168 -5.107 8.383 1.00 0.00 H new ATOM 592 N ASN A 41 11.654 -7.447 6.788 1.00 0.00 N ATOM 593 CA ASN A 41 10.542 -8.397 6.567 1.00 0.00 C ATOM 594 C ASN A 41 9.147 -7.769 6.737 1.00 0.00 C ATOM 595 O ASN A 41 8.146 -8.318 6.268 1.00 0.00 O ATOM 596 CB ASN A 41 10.697 -9.653 7.453 1.00 0.00 C ATOM 597 CG ASN A 41 10.073 -10.923 6.868 1.00 0.00 C ATOM 598 OD1 ASN A 41 10.750 -11.929 6.669 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.787 -10.936 6.574 1.00 0.00 N ATOM 0 H ASN A 41 12.132 -7.232 5.913 1.00 0.00 H new ATOM 0 HA ASN A 41 10.610 -8.695 5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.758 -9.831 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.244 -9.455 8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.361 -11.777 6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.218 -10.105 6.736 1.00 0.00 H new ATOM 606 N LYS A 42 9.052 -6.623 7.399 1.00 0.00 N ATOM 607 CA LYS A 42 7.800 -5.938 7.708 1.00 0.00 C ATOM 608 C LYS A 42 7.559 -4.876 6.663 1.00 0.00 C ATOM 609 O LYS A 42 8.161 -3.811 6.736 1.00 0.00 O ATOM 610 CB LYS A 42 7.878 -5.277 9.083 1.00 0.00 C ATOM 611 CG LYS A 42 7.848 -6.262 10.253 1.00 0.00 C ATOM 612 CD LYS A 42 6.475 -6.932 10.361 1.00 0.00 C ATOM 613 CE LYS A 42 6.340 -7.562 11.741 1.00 0.00 C ATOM 614 NZ LYS A 42 5.049 -8.247 11.894 1.00 0.00 N ATOM 0 H LYS A 42 9.872 -6.127 7.748 1.00 0.00 H new ATOM 0 HA LYS A 42 6.986 -6.663 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.794 -4.690 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.046 -4.581 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.619 -7.021 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.077 -5.739 11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.684 -6.199 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.365 -7.692 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.151 -8.272 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.437 -6.791 12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.078 -8.858 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.293 -7.542 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.862 -8.827 11.051 1.00 0.00 H new ATOM 628 N LEU A 43 6.698 -5.173 5.705 1.00 0.00 N ATOM 629 CA LEU A 43 6.364 -4.280 4.614 1.00 0.00 C ATOM 630 C LEU A 43 5.304 -3.317 5.122 1.00 0.00 C ATOM 631 O LEU A 43 4.183 -3.728 5.434 1.00 0.00 O ATOM 632 CB LEU A 43 5.885 -5.048 3.367 1.00 0.00 C ATOM 633 CG LEU A 43 6.636 -4.577 2.115 1.00 0.00 C ATOM 634 CD1 LEU A 43 6.213 -5.390 0.893 1.00 0.00 C ATOM 635 CD2 LEU A 43 6.391 -3.092 1.840 1.00 0.00 C ATOM 0 H LEU A 43 6.201 -6.063 5.665 1.00 0.00 H new ATOM 0 HA LEU A 43 7.251 -3.732 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.042 -6.117 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.814 -4.899 3.232 1.00 0.00 H new ATOM 0 HG LEU A 43 7.699 -4.728 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.758 -5.039 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.436 -6.443 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.143 -5.268 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.938 -2.792 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.325 -2.921 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.735 -2.503 2.690 1.00 0.00 H new ATOM 647 N TYR A 44 5.644 -2.042 5.232 1.00 0.00 N ATOM 648 CA TYR A 44 4.726 -0.993 5.628 1.00 0.00 C ATOM 649 C TYR A 44 4.343 -0.223 4.372 1.00 0.00 C ATOM 650 O TYR A 44 5.208 0.183 3.616 1.00 0.00 O ATOM 651 CB TYR A 44 5.404 -0.116 6.687 1.00 0.00 C ATOM 652 CG TYR A 44 5.833 -0.851 7.947 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.963 -1.774 8.561 1.00 0.00 C ATOM 654 CD2 TYR A 44 7.087 -0.584 8.530 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.342 -2.431 9.742 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.464 -1.227 9.728 1.00 0.00 C ATOM 657 CZ TYR A 44 6.587 -2.151 10.346 1.00 0.00 C ATOM 658 OH TYR A 44 6.927 -2.774 11.510 1.00 0.00 O ATOM 0 H TYR A 44 6.588 -1.704 5.044 1.00 0.00 H new ATOM 0 HA TYR A 44 3.814 -1.385 6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.281 0.354 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.720 0.685 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.998 -1.977 8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.762 0.115 8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.678 -3.155 10.191 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.424 -1.014 10.175 1.00 0.00 H new ATOM 0 HH TYR A 44 7.815 -2.473 11.795 1.00 0.00 H new ATOM 668 N VAL A 45 3.062 -0.037 4.089 1.00 0.00 N ATOM 669 CA VAL A 45 2.615 0.621 2.858 1.00 0.00 C ATOM 670 C VAL A 45 1.487 1.576 3.260 1.00 0.00 C ATOM 671 O VAL A 45 0.858 1.366 4.308 1.00 0.00 O ATOM 672 CB VAL A 45 2.289 -0.472 1.857 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.927 -0.977 1.914 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.577 -0.032 0.451 1.00 0.00 C ATOM 0 H VAL A 45 2.301 -0.335 4.700 1.00 0.00 H new ATOM 0 HA VAL A 45 3.353 1.244 2.353 1.00 0.00 H new ATOM 0 HB VAL A 45 2.943 -1.293 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.795 -1.753 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.735 -1.394 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.229 -0.162 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.332 -0.839 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.974 0.845 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.634 0.218 0.357 1.00 0.00 H new ATOM 684 N LYS A 46 1.271 2.630 2.464 1.00 0.00 N ATOM 685 CA LYS A 46 0.480 3.796 2.835 1.00 0.00 C ATOM 686 C LYS A 46 -0.411 4.191 1.644 1.00 0.00 C ATOM 687 O LYS A 46 -0.070 5.100 0.882 1.00 0.00 O ATOM 688 CB LYS A 46 1.445 4.907 3.310 1.00 0.00 C ATOM 689 CG LYS A 46 0.713 6.087 3.957 1.00 0.00 C ATOM 690 CD LYS A 46 1.561 7.343 4.184 1.00 0.00 C ATOM 691 CE LYS A 46 2.778 7.138 5.096 1.00 0.00 C ATOM 692 NZ LYS A 46 3.595 8.371 5.213 1.00 0.00 N ATOM 0 H LYS A 46 1.654 2.691 1.521 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.197 3.595 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.153 4.487 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.026 5.266 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.138 6.352 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.312 5.762 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.906 7.712 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.928 8.119 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.442 6.830 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.395 6.330 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.597 8.115 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.475 8.950 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.287 8.914 6.045 1.00 0.00 H new ATOM 706 N ALA A 47 -1.490 3.434 1.416 1.00 0.00 N ATOM 707 CA ALA A 47 -2.247 3.429 0.166 1.00 0.00 C ATOM 708 C ALA A 47 -3.459 4.372 0.194 1.00 0.00 C ATOM 709 O ALA A 47 -4.238 4.395 1.146 1.00 0.00 O ATOM 710 CB ALA A 47 -2.642 1.988 -0.163 1.00 0.00 C ATOM 0 H ALA A 47 -1.868 2.794 2.114 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.610 3.820 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.208 1.969 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.744 1.380 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.256 1.586 0.643 1.00 0.00 H new ATOM 716 N ARG A 48 -3.675 5.094 -0.914 1.00 0.00 N ATOM 717 CA ARG A 48 -4.646 6.178 -1.044 1.00 0.00 C ATOM 718 C ARG A 48 -5.951 5.682 -1.637 1.00 0.00 C ATOM 719 O ARG A 48 -6.049 5.471 -2.849 1.00 0.00 O ATOM 720 CB ARG A 48 -4.042 7.306 -1.892 1.00 0.00 C ATOM 721 CG ARG A 48 -5.072 8.359 -2.366 1.00 0.00 C ATOM 722 CD ARG A 48 -4.498 9.766 -2.223 1.00 0.00 C ATOM 723 NE ARG A 48 -3.268 9.970 -3.008 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.154 10.200 -4.322 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.230 10.273 -5.100 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.957 10.343 -4.876 1.00 0.00 N ATOM 0 H ARG A 48 -3.155 4.929 -1.776 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.876 6.566 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.267 7.807 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.556 6.870 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.340 8.173 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.987 8.271 -1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.248 10.492 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.288 9.961 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.393 9.931 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.159 10.153 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.126 10.449 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.118 10.278 -4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.876 10.518 -5.878 1.00 0.00 H new ATOM 740 N PHE A 49 -6.972 5.588 -0.795 1.00 0.00 N ATOM 741 CA PHE A 49 -8.283 5.090 -1.189 1.00 0.00 C ATOM 742 C PHE A 49 -9.238 6.263 -1.324 1.00 0.00 C ATOM 743 O PHE A 49 -9.755 6.726 -0.302 1.00 0.00 O ATOM 744 CB PHE A 49 -8.791 4.018 -0.212 1.00 0.00 C ATOM 745 CG PHE A 49 -7.932 2.761 -0.112 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.838 2.759 0.768 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.193 1.588 -0.866 1.00 0.00 C ATOM 748 CE1 PHE A 49 -6.017 1.627 0.891 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.405 0.440 -0.695 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.309 0.456 0.180 1.00 0.00 C ATOM 0 H PHE A 49 -6.913 5.857 0.187 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.213 4.596 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.870 4.463 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.798 3.726 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.626 3.639 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.005 1.579 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.154 1.659 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.644 -0.461 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.697 -0.425 0.304 1.00 0.00 H new ATOM 760 N MET A 50 -9.414 6.773 -2.552 1.00 0.00 N ATOM 761 CA MET A 50 -10.291 7.911 -2.809 1.00 0.00 C ATOM 762 C MET A 50 -11.704 7.358 -2.971 1.00 0.00 C ATOM 763 O MET A 50 -11.964 6.614 -3.915 1.00 0.00 O ATOM 764 CB MET A 50 -9.919 8.721 -4.068 1.00 0.00 C ATOM 765 CG MET A 50 -8.427 8.960 -4.296 1.00 0.00 C ATOM 766 SD MET A 50 -7.712 10.509 -3.696 1.00 0.00 S ATOM 767 CE MET A 50 -8.170 10.384 -1.952 1.00 0.00 C ATOM 0 H MET A 50 -8.953 6.407 -3.385 1.00 0.00 H new ATOM 0 HA MET A 50 -10.197 8.603 -1.972 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.321 8.205 -4.940 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.417 9.689 -4.013 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.883 8.139 -3.830 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.239 8.899 -5.368 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.557 11.068 -1.365 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.221 10.645 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.008 9.363 -1.605 1.00 0.00 H new ATOM 777 N GLY A 51 -12.590 7.695 -2.048 1.00 0.00 N ATOM 778 CA GLY A 51 -13.949 7.154 -1.969 1.00 0.00 C ATOM 779 C GLY A 51 -14.036 6.020 -0.945 1.00 0.00 C ATOM 780 O GLY A 51 -13.029 5.426 -0.565 1.00 0.00 O ATOM 0 H GLY A 51 -12.384 8.370 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.644 7.948 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.254 6.787 -2.949 1.00 0.00 H new ATOM 784 N TYR A 52 -15.239 5.738 -0.450 1.00 0.00 N ATOM 785 CA TYR A 52 -15.536 4.913 0.710 1.00 0.00 C ATOM 786 C TYR A 52 -15.338 3.436 0.349 1.00 0.00 C ATOM 787 O TYR A 52 -15.931 2.978 -0.631 1.00 0.00 O ATOM 788 CB TYR A 52 -16.994 5.226 1.097 1.00 0.00 C ATOM 789 CG TYR A 52 -17.330 5.202 2.574 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.403 3.991 3.290 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.631 6.415 3.221 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.793 4.009 4.645 1.00 0.00 C ATOM 793 CE2 TYR A 52 -18.036 6.424 4.565 1.00 0.00 C ATOM 794 CZ TYR A 52 -18.131 5.215 5.287 1.00 0.00 C ATOM 795 OH TYR A 52 -18.527 5.210 6.590 1.00 0.00 O ATOM 0 H TYR A 52 -16.087 6.107 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.876 5.121 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.244 6.213 0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.641 4.510 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.162 3.056 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.550 7.346 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.833 3.083 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -18.276 7.360 5.048 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.721 6.127 6.876 1.00 0.00 H new ATOM 805 N THR A 53 -14.504 2.696 1.093 1.00 0.00 N ATOM 806 CA THR A 53 -14.276 1.273 0.841 1.00 0.00 C ATOM 807 C THR A 53 -13.661 0.567 2.051 1.00 0.00 C ATOM 808 O THR A 53 -12.780 1.122 2.711 1.00 0.00 O ATOM 809 CB THR A 53 -13.399 1.146 -0.420 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.556 -0.138 -0.975 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.908 1.418 -0.171 1.00 0.00 C ATOM 0 H THR A 53 -13.973 3.067 1.881 1.00 0.00 H new ATOM 0 HA THR A 53 -15.229 0.772 0.672 1.00 0.00 H new ATOM 0 HB THR A 53 -13.741 1.916 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.888 -0.059 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.357 1.309 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.782 2.432 0.209 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.526 0.706 0.561 1.00 0.00 H new ATOM 819 N LYS A 54 -14.048 -0.689 2.306 1.00 0.00 N ATOM 820 CA LYS A 54 -13.505 -1.517 3.391 1.00 0.00 C ATOM 821 C LYS A 54 -13.247 -2.974 2.977 1.00 0.00 C ATOM 822 O LYS A 54 -12.615 -3.704 3.737 1.00 0.00 O ATOM 823 CB LYS A 54 -14.429 -1.421 4.625 1.00 0.00 C ATOM 824 CG LYS A 54 -14.122 -0.191 5.496 1.00 0.00 C ATOM 825 CD LYS A 54 -13.148 -0.318 6.670 1.00 0.00 C ATOM 826 CE LYS A 54 -13.898 -0.765 7.927 1.00 0.00 C ATOM 827 NZ LYS A 54 -13.083 -0.684 9.164 1.00 0.00 N ATOM 0 H LYS A 54 -14.760 -1.167 1.754 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.523 -1.121 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.467 -1.379 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.322 -2.324 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.738 0.587 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.070 0.169 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.366 -1.038 6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.657 0.638 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.789 -0.148 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.237 -1.792 7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.651 -1.001 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.246 -1.293 9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.780 0.299 9.316 1.00 0.00 H new ATOM 841 N LEU A 55 -13.667 -3.410 1.787 1.00 0.00 N ATOM 842 CA LEU A 55 -13.538 -4.788 1.284 1.00 0.00 C ATOM 843 C LEU A 55 -12.159 -5.070 0.649 1.00 0.00 C ATOM 844 O LEU A 55 -12.071 -5.669 -0.428 1.00 0.00 O ATOM 845 CB LEU A 55 -14.685 -5.042 0.284 1.00 0.00 C ATOM 846 CG LEU A 55 -16.063 -5.223 0.940 1.00 0.00 C ATOM 847 CD1 LEU A 55 -17.153 -5.146 -0.138 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.142 -6.571 1.668 1.00 0.00 C ATOM 0 H LEU A 55 -14.125 -2.791 1.118 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.611 -5.478 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.734 -4.207 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.453 -5.933 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.214 -4.429 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.132 -5.274 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.109 -4.175 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.993 -5.934 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.125 -6.680 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.982 -7.380 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.375 -6.612 2.441 1.00 0.00 H new ATOM 860 N THR A 56 -11.074 -4.612 1.276 1.00 0.00 N ATOM 861 CA THR A 56 -9.718 -4.676 0.721 1.00 0.00 C ATOM 862 C THR A 56 -9.294 -6.129 0.468 1.00 0.00 C ATOM 863 O THR A 56 -9.711 -7.014 1.220 1.00 0.00 O ATOM 864 CB THR A 56 -8.717 -4.012 1.693 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.340 -3.320 2.766 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.810 -3.021 0.972 1.00 0.00 C ATOM 0 H THR A 56 -11.112 -4.179 2.199 1.00 0.00 H new ATOM 0 HA THR A 56 -9.717 -4.142 -0.229 1.00 0.00 H new ATOM 0 HB THR A 56 -8.140 -4.842 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.653 -2.926 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.119 -2.573 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.245 -3.541 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.416 -2.239 0.515 1.00 0.00 H new ATOM 874 N VAL A 57 -8.409 -6.381 -0.507 1.00 0.00 N ATOM 875 CA VAL A 57 -7.790 -7.691 -0.712 1.00 0.00 C ATOM 876 C VAL A 57 -6.305 -7.509 -1.102 1.00 0.00 C ATOM 877 O VAL A 57 -5.916 -6.518 -1.730 1.00 0.00 O ATOM 878 CB VAL A 57 -8.593 -8.497 -1.765 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.029 -9.907 -1.994 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.076 -8.653 -1.391 1.00 0.00 C ATOM 0 H VAL A 57 -8.103 -5.675 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.813 -8.267 0.213 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.499 -7.908 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.632 -10.423 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.000 -9.835 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.054 -10.465 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.588 -9.226 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.158 -9.176 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.535 -7.668 -1.305 1.00 0.00 H new ATOM 890 N ILE A 58 -5.478 -8.491 -0.736 1.00 0.00 N ATOM 891 CA ILE A 58 -4.097 -8.743 -1.139 1.00 0.00 C ATOM 892 C ILE A 58 -4.082 -10.265 -1.279 1.00 0.00 C ATOM 893 O ILE A 58 -4.264 -10.943 -0.272 1.00 0.00 O ATOM 894 CB ILE A 58 -3.077 -8.280 -0.059 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.175 -6.783 0.302 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.642 -8.591 -0.518 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.344 -6.409 1.543 1.00 0.00 C ATOM 0 H ILE A 58 -5.796 -9.204 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.809 -8.203 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.331 -8.839 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.839 -6.187 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.219 -6.525 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.937 -8.263 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.534 -9.664 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.437 -8.066 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.453 -5.344 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.695 -6.981 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.294 -6.638 1.360 1.00 0.00 H new ATOM 909 N THR A 59 -3.987 -10.817 -2.486 1.00 0.00 N ATOM 910 CA THR A 59 -4.197 -12.243 -2.734 1.00 0.00 C ATOM 911 C THR A 59 -3.146 -13.119 -2.028 1.00 0.00 C ATOM 912 O THR A 59 -3.463 -14.219 -1.568 1.00 0.00 O ATOM 913 CB THR A 59 -4.206 -12.514 -4.253 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.137 -11.318 -5.019 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.465 -13.256 -4.697 1.00 0.00 C ATOM 0 H THR A 59 -3.761 -10.285 -3.326 1.00 0.00 H new ATOM 0 HA THR A 59 -5.165 -12.515 -2.313 1.00 0.00 H new ATOM 0 HB THR A 59 -3.321 -13.124 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.983 -11.541 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.427 -13.425 -5.773 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.523 -14.214 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.344 -12.659 -4.454 1.00 0.00 H new ATOM 923 N GLY A 60 -1.911 -12.622 -1.922 1.00 0.00 N ATOM 924 CA GLY A 60 -0.767 -13.322 -1.360 1.00 0.00 C ATOM 925 C GLY A 60 -0.288 -14.461 -2.241 1.00 0.00 C ATOM 926 O GLY A 60 -0.796 -14.661 -3.351 1.00 0.00 O ATOM 0 H GLY A 60 -1.678 -11.681 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.049 -12.615 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.032 -13.714 -0.378 1.00 0.00 H new ATOM 930 N LYS A 61 0.700 -15.208 -1.734 1.00 0.00 N ATOM 931 CA LYS A 61 1.167 -16.432 -2.378 1.00 0.00 C ATOM 932 C LYS A 61 -0.002 -17.386 -2.565 1.00 0.00 C ATOM 933 O LYS A 61 -0.277 -17.792 -3.691 1.00 0.00 O ATOM 934 CB LYS A 61 2.390 -17.006 -1.638 1.00 0.00 C ATOM 935 CG LYS A 61 2.165 -17.860 -0.379 1.00 0.00 C ATOM 936 CD LYS A 61 3.327 -17.852 0.635 1.00 0.00 C ATOM 937 CE LYS A 61 4.724 -17.430 0.153 1.00 0.00 C ATOM 938 NZ LYS A 61 5.382 -18.480 -0.636 1.00 0.00 N ATOM 0 H LYS A 61 1.193 -14.979 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 61 1.538 -16.229 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.952 -17.611 -2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.028 -16.168 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.263 -17.509 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.979 -18.889 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.046 -17.190 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.410 -18.856 1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.640 -16.525 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.344 -17.184 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.321 -18.150 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.487 -19.336 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.805 -18.698 -1.473 1.00 0.00 H new ATOM 952 N ASP A 62 -0.747 -17.587 -1.479 1.00 0.00 N ATOM 953 CA ASP A 62 -1.848 -18.524 -1.312 1.00 0.00 C ATOM 954 C ASP A 62 -2.969 -18.305 -2.321 1.00 0.00 C ATOM 955 O ASP A 62 -3.757 -19.222 -2.573 1.00 0.00 O ATOM 956 CB ASP A 62 -2.428 -18.344 0.098 1.00 0.00 C ATOM 957 CG ASP A 62 -1.417 -18.663 1.190 1.00 0.00 C ATOM 958 OD1 ASP A 62 -1.020 -19.840 1.328 1.00 0.00 O ATOM 959 OD2 ASP A 62 -0.983 -17.705 1.864 1.00 0.00 O ATOM 0 H ASP A 62 -0.579 -17.053 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.452 -19.527 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.774 -17.317 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.299 -18.989 0.214 1.00 0.00 H new ATOM 964 N GLY A 63 -3.076 -17.105 -2.898 1.00 0.00 N ATOM 965 CA GLY A 63 -4.113 -16.781 -3.856 1.00 0.00 C ATOM 966 C GLY A 63 -5.490 -16.741 -3.203 1.00 0.00 C ATOM 967 O GLY A 63 -6.457 -17.223 -3.798 1.00 0.00 O ATOM 0 H GLY A 63 -2.437 -16.333 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.898 -15.815 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.112 -17.519 -4.658 1.00 0.00 H new ATOM 971 N LYS A 64 -5.605 -16.193 -1.985 1.00 0.00 N ATOM 972 CA LYS A 64 -6.878 -15.884 -1.354 1.00 0.00 C ATOM 973 C LYS A 64 -6.879 -14.450 -0.827 1.00 0.00 C ATOM 974 O LYS A 64 -7.322 -13.571 -1.567 1.00 0.00 O ATOM 975 CB LYS A 64 -7.212 -16.915 -0.267 1.00 0.00 C ATOM 976 CG LYS A 64 -7.235 -18.352 -0.802 1.00 0.00 C ATOM 977 CD LYS A 64 -7.807 -19.297 0.263 1.00 0.00 C ATOM 978 CE LYS A 64 -8.336 -20.628 -0.281 1.00 0.00 C ATOM 979 NZ LYS A 64 -7.313 -21.477 -0.924 1.00 0.00 N ATOM 0 H LYS A 64 -4.799 -15.952 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.670 -15.950 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.478 -16.842 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.183 -16.678 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.839 -18.402 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.227 -18.664 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.031 -19.504 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.616 -18.786 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.790 -21.186 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.126 -20.422 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.754 -22.356 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.894 -20.967 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.569 -21.707 -0.234 1.00 0.00 H new ATOM 993 N ASN A 65 -6.394 -14.178 0.392 1.00 0.00 N ATOM 994 CA ASN A 65 -6.534 -12.868 1.035 1.00 0.00 C ATOM 995 C ASN A 65 -5.644 -12.803 2.275 1.00 0.00 C ATOM 996 O ASN A 65 -6.062 -13.234 3.348 1.00 0.00 O ATOM 997 CB ASN A 65 -8.009 -12.620 1.445 1.00 0.00 C ATOM 998 CG ASN A 65 -8.367 -11.174 1.766 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.381 -10.671 1.315 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -7.607 -10.467 2.578 1.00 0.00 N ATOM 0 H ASN A 65 -5.893 -14.862 0.959 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.230 -12.099 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.655 -12.965 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.233 -13.234 2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.871 -9.512 2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.755 -10.875 2.963 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.458 -12.204 2.193 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.515 -12.148 3.312 1.00 0.00 C ATOM 1009 C LEU A 66 -4.066 -11.429 4.533 1.00 0.00 C ATOM 1010 O LEU A 66 -3.767 -11.837 5.655 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.192 -11.493 2.911 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.439 -12.275 1.830 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.061 -11.630 1.651 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.275 -13.762 2.185 1.00 0.00 C ATOM 0 H LEU A 66 -4.121 -11.742 1.348 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.344 -13.190 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.388 -10.483 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.557 -11.400 3.792 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.018 -12.235 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.496 -12.169 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.183 -10.590 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.485 -11.671 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.735 -14.269 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.716 -13.854 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.258 -14.218 2.305 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.903 -10.403 4.332 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.549 -9.717 5.452 1.00 0.00 C ATOM 1028 C LEU A 67 -6.485 -10.655 6.230 1.00 0.00 C ATOM 1029 O LEU A 67 -6.838 -10.344 7.368 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.306 -8.452 4.995 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.589 -7.096 5.162 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -4.284 -6.995 4.386 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -6.548 -5.954 4.772 1.00 0.00 C ATOM 0 H LEU A 67 -5.145 -10.034 3.412 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.751 -9.402 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.558 -8.572 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.246 -8.406 5.544 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.313 -7.010 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.837 -6.015 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.597 -7.769 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.482 -7.128 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.041 -4.997 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.856 -6.076 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.427 -5.981 5.416 1.00 0.00 H new ATOM 1045 N TYR A 68 -6.895 -11.788 5.656 1.00 0.00 N ATOM 1046 CA TYR A 68 -7.735 -12.769 6.317 1.00 0.00 C ATOM 1047 C TYR A 68 -6.973 -14.061 6.648 1.00 0.00 C ATOM 1048 O TYR A 68 -7.464 -14.880 7.424 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.945 -13.025 5.414 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.050 -13.739 6.143 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -10.738 -13.073 7.171 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -10.299 -15.097 5.889 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -11.653 -13.772 7.969 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -11.235 -15.792 6.664 1.00 0.00 C ATOM 1055 CZ TYR A 68 -11.914 -15.139 7.714 1.00 0.00 C ATOM 1056 OH TYR A 68 -12.827 -15.804 8.468 1.00 0.00 O ATOM 0 H TYR A 68 -6.644 -12.047 4.702 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.066 -12.383 7.281 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.318 -12.076 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.636 -13.618 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.561 -12.022 7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.769 -15.605 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.159 -13.267 8.779 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.438 -16.832 6.457 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.888 -16.733 8.163 1.00 0.00 H new ATOM 1066 N ASN A 69 -5.778 -14.251 6.079 1.00 0.00 N ATOM 1067 CA ASN A 69 -4.931 -15.417 6.253 1.00 0.00 C ATOM 1068 C ASN A 69 -4.468 -15.505 7.705 1.00 0.00 C ATOM 1069 O ASN A 69 -4.844 -16.439 8.413 1.00 0.00 O ATOM 1070 CB ASN A 69 -3.765 -15.298 5.266 1.00 0.00 C ATOM 1071 CG ASN A 69 -2.898 -16.539 5.247 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -1.733 -16.487 5.614 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -3.418 -17.655 4.773 1.00 0.00 N ATOM 0 H ASN A 69 -5.363 -13.558 5.456 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.470 -16.341 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.157 -15.116 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.154 -14.435 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.846 -18.497 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.392 -17.676 4.472 1.00 0.00 H new ATOM 1080 N GLY A 70 -3.735 -14.483 8.159 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.305 -14.374 9.544 1.00 0.00 C ATOM 1082 C GLY A 70 -2.294 -13.254 9.773 1.00 0.00 C ATOM 1083 O GLY A 70 -2.291 -12.667 10.849 1.00 0.00 O ATOM 0 H GLY A 70 -3.426 -13.710 7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.177 -14.203 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.865 -15.321 9.857 1.00 0.00 H new ATOM 1087 N THR A 71 -1.446 -12.928 8.790 1.00 0.00 N ATOM 1088 CA THR A 71 -0.361 -11.973 9.030 1.00 0.00 C ATOM 1089 C THR A 71 -0.856 -10.538 8.859 1.00 0.00 C ATOM 1090 O THR A 71 -0.730 -9.723 9.771 1.00 0.00 O ATOM 1091 CB THR A 71 0.837 -12.250 8.103 1.00 0.00 C ATOM 1092 OG1 THR A 71 1.044 -13.639 7.926 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.142 -11.645 8.621 1.00 0.00 C ATOM 0 H THR A 71 -1.488 -13.302 7.842 1.00 0.00 H new ATOM 0 HA THR A 71 -0.025 -12.099 10.059 1.00 0.00 H new ATOM 0 HB THR A 71 0.579 -11.778 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.810 -13.782 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.950 -11.873 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.033 -10.564 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.375 -12.066 9.599 1.00 0.00 H new ATOM 1101 N ALA A 72 -1.315 -10.197 7.651 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.347 -8.806 7.242 1.00 0.00 C ATOM 1103 C ALA A 72 -2.591 -8.104 7.773 1.00 0.00 C ATOM 1104 O ALA A 72 -3.641 -8.714 8.002 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.254 -8.739 5.713 1.00 0.00 C ATOM 0 H ALA A 72 -1.662 -10.858 6.956 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.494 -8.277 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.277 -7.697 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.322 -9.199 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.097 -9.273 5.273 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.492 -6.788 7.948 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.538 -6.017 8.604 1.00 0.00 C ATOM 1113 C LYS A 73 -3.360 -4.540 8.315 1.00 0.00 C ATOM 1114 O LYS A 73 -2.229 -4.060 8.271 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.432 -6.329 10.108 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.380 -5.574 11.037 1.00 0.00 C ATOM 1117 CD LYS A 73 -5.835 -5.950 10.735 1.00 0.00 C ATOM 1118 CE LYS A 73 -6.814 -5.240 11.665 1.00 0.00 C ATOM 1119 NZ LYS A 73 -8.090 -5.979 11.782 1.00 0.00 N ATOM 0 H LYS A 73 -1.692 -6.234 7.642 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.529 -6.282 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.600 -7.397 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.410 -6.124 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.145 -5.808 12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.242 -4.500 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.068 -5.696 9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.959 -7.028 10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.365 -5.131 12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.008 -4.235 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.730 -5.467 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.531 -6.061 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.907 -6.929 12.163 1.00 0.00 H new ATOM 1133 N MET A 74 -4.465 -3.806 8.175 1.00 0.00 N ATOM 1134 CA MET A 74 -4.453 -2.362 8.349 1.00 0.00 C ATOM 1135 C MET A 74 -4.517 -2.081 9.844 1.00 0.00 C ATOM 1136 O MET A 74 -5.482 -2.475 10.502 1.00 0.00 O ATOM 1137 CB MET A 74 -5.629 -1.685 7.630 1.00 0.00 C ATOM 1138 CG MET A 74 -5.589 -0.166 7.843 1.00 0.00 C ATOM 1139 SD MET A 74 -6.508 0.401 9.289 1.00 0.00 S ATOM 1140 CE MET A 74 -8.155 0.168 8.599 1.00 0.00 C ATOM 0 H MET A 74 -5.379 -4.194 7.941 1.00 0.00 H new ATOM 0 HA MET A 74 -3.543 -1.953 7.910 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.589 -1.910 6.564 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.571 -2.086 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.550 0.149 7.940 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.990 0.325 6.956 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.724 1.093 8.695 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.074 -0.101 7.546 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.666 -0.630 9.138 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.502 -1.403 10.369 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.333 -1.093 11.784 1.00 0.00 C ATOM 1152 C PHE A 75 -3.278 0.417 12.032 1.00 0.00 C ATOM 1153 O PHE A 75 -2.954 0.847 13.139 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.066 -1.793 12.290 1.00 0.00 C ATOM 1155 CG PHE A 75 -0.769 -1.307 11.658 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.399 -1.740 10.370 1.00 0.00 C ATOM 1157 CD2 PHE A 75 0.068 -0.411 12.355 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.790 -1.274 9.782 1.00 0.00 C ATOM 1159 CE2 PHE A 75 1.263 0.041 11.763 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.624 -0.396 10.483 1.00 0.00 C ATOM 0 H PHE A 75 -2.742 -1.039 9.795 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.197 -1.460 12.338 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.000 -1.657 13.370 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.163 -2.863 12.108 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.030 -2.432 9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.208 -0.072 13.343 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.060 -1.595 8.787 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.903 0.727 12.298 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.546 -0.055 10.036 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.568 1.236 11.018 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.489 2.685 11.089 1.00 0.00 C ATOM 1172 C LYS A 76 -4.343 3.216 9.956 1.00 0.00 C ATOM 1173 O LYS A 76 -4.237 2.719 8.829 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.021 3.128 10.964 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.866 4.654 10.895 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.403 5.037 11.141 1.00 0.00 C ATOM 1177 CE LYS A 76 -0.072 6.496 10.797 1.00 0.00 C ATOM 1178 NZ LYS A 76 -0.844 7.485 11.569 1.00 0.00 N ATOM 0 H LYS A 76 -3.871 0.895 10.106 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.853 3.074 12.040 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.457 2.748 11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.586 2.682 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.188 5.018 9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.506 5.128 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.163 4.858 12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.237 4.381 10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.991 6.666 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.254 6.658 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.424 8.055 10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.462 6.992 12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.191 8.107 12.087 1.00 0.00 H new ATOM 1192 N SER A 77 -5.187 4.200 10.245 1.00 0.00 N ATOM 1193 CA SER A 77 -6.098 4.739 9.262 1.00 0.00 C ATOM 1194 C SER A 77 -6.274 6.246 9.472 1.00 0.00 C ATOM 1195 O SER A 77 -7.080 6.671 10.297 1.00 0.00 O ATOM 1196 CB SER A 77 -7.407 3.930 9.255 1.00 0.00 C ATOM 1197 OG SER A 77 -7.807 3.467 10.534 1.00 0.00 O ATOM 0 H SER A 77 -5.253 4.639 11.163 1.00 0.00 H new ATOM 0 HA SER A 77 -5.685 4.634 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.202 4.549 8.839 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.289 3.074 8.591 1.00 0.00 H new ATOM 0 HG SER A 77 -7.596 2.514 10.618 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.499 7.035 8.726 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.520 8.501 8.709 1.00 0.00 C ATOM 1205 C ASP A 78 -6.494 8.986 7.635 1.00 0.00 C ATOM 1206 O ASP A 78 -6.830 8.243 6.705 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.100 9.027 8.408 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.465 9.728 9.609 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -3.834 10.884 9.907 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -2.551 9.158 10.251 1.00 0.00 O ATOM 0 H ASP A 78 -4.805 6.651 8.085 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.845 8.876 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.466 8.195 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.144 9.721 7.569 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.936 10.237 7.734 1.00 0.00 N ATOM 1216 CA ALA A 79 -7.804 10.884 6.759 1.00 0.00 C ATOM 1217 C ALA A 79 -6.965 11.516 5.640 1.00 0.00 C ATOM 1218 O ALA A 79 -5.977 12.199 5.926 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.623 11.944 7.497 1.00 0.00 C ATOM 0 H ALA A 79 -6.692 10.844 8.517 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.471 10.158 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.285 12.448 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.218 11.467 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.951 12.674 7.949 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.369 11.335 4.378 1.00 0.00 N ATOM 1226 CA ILE A 80 -6.749 11.971 3.216 1.00 0.00 C ATOM 1227 C ILE A 80 -7.646 13.128 2.839 1.00 0.00 C ATOM 1228 O ILE A 80 -8.836 12.951 2.562 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.574 11.030 2.008 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.710 9.836 2.420 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -5.934 11.772 0.820 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.712 8.700 1.395 1.00 0.00 C ATOM 0 H ILE A 80 -8.152 10.729 4.133 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.739 12.284 3.483 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.555 10.677 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.685 10.175 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.066 9.453 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.821 11.086 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.572 12.605 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.955 12.151 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.079 7.887 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.730 8.335 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.328 9.068 0.443 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.042 14.307 2.821 1.00 0.00 N ATOM 1245 CA LEU A 81 -7.753 15.539 2.546 1.00 0.00 C ATOM 1246 C LEU A 81 -7.458 16.017 1.125 1.00 0.00 C ATOM 1247 O LEU A 81 -6.411 15.705 0.551 1.00 0.00 O ATOM 1248 CB LEU A 81 -7.443 16.599 3.610 1.00 0.00 C ATOM 1249 CG LEU A 81 -7.673 16.132 5.064 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -7.506 17.323 6.006 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -9.041 15.479 5.319 1.00 0.00 C ATOM 0 H LEU A 81 -6.045 14.433 2.997 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.826 15.353 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.404 16.911 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.061 17.477 3.421 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.929 15.358 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.667 16.999 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.499 17.727 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.233 18.094 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.113 15.183 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.833 16.191 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.148 14.599 4.685 1.00 0.00 H new ATOM 1263 N GLY A 82 -8.395 16.765 0.543 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.289 17.357 -0.785 1.00 0.00 C ATOM 1265 C GLY A 82 -7.497 18.654 -0.730 1.00 0.00 C ATOM 1266 O GLY A 82 -6.564 18.779 0.061 1.00 0.00 O ATOM 0 H GLY A 82 -9.280 16.982 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.803 16.656 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.285 17.549 -1.184 1.00 0.00 H new ATOM 1270 N GLN A 83 -7.858 19.614 -1.584 1.00 0.00 N ATOM 1271 CA GLN A 83 -7.241 20.942 -1.604 1.00 0.00 C ATOM 1272 C GLN A 83 -7.997 21.975 -0.764 1.00 0.00 C ATOM 1273 O GLN A 83 -7.788 23.180 -0.899 1.00 0.00 O ATOM 1274 CB GLN A 83 -7.075 21.406 -3.063 1.00 0.00 C ATOM 1275 CG GLN A 83 -5.992 20.635 -3.837 1.00 0.00 C ATOM 1276 CD GLN A 83 -4.642 21.340 -3.735 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -4.470 22.427 -4.280 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -3.675 20.792 -3.027 1.00 0.00 N ATOM 0 H GLN A 83 -8.590 19.492 -2.284 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.260 20.858 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.028 21.295 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.829 22.468 -3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.909 19.623 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.282 20.546 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.822 19.889 -2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.780 21.271 -2.930 1.00 0.00 H new ATOM 1287 N ASN A 84 -8.946 21.518 0.050 1.00 0.00 N ATOM 1288 CA ASN A 84 -9.846 22.355 0.836 1.00 0.00 C ATOM 1289 C ASN A 84 -10.336 21.564 2.047 1.00 0.00 C ATOM 1290 O ASN A 84 -11.509 21.633 2.397 1.00 0.00 O ATOM 1291 CB ASN A 84 -10.995 22.906 -0.032 1.00 0.00 C ATOM 1292 CG ASN A 84 -11.819 21.860 -0.754 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.977 21.616 -0.429 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -11.256 21.272 -1.795 1.00 0.00 N ATOM 0 H ASN A 84 -9.114 20.521 0.184 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.311 23.230 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.659 23.493 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.575 23.588 -0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.786 20.599 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.292 21.492 -2.045 1.00 0.00 H new ATOM 1301 N LYS A 85 -9.451 20.783 2.678 1.00 0.00 N ATOM 1302 CA LYS A 85 -9.717 19.972 3.876 1.00 0.00 C ATOM 1303 C LYS A 85 -10.789 18.889 3.676 1.00 0.00 C ATOM 1304 O LYS A 85 -11.154 18.210 4.638 1.00 0.00 O ATOM 1305 CB LYS A 85 -10.025 20.878 5.086 1.00 0.00 C ATOM 1306 CG LYS A 85 -8.897 21.869 5.424 1.00 0.00 C ATOM 1307 CD LYS A 85 -9.366 22.842 6.511 1.00 0.00 C ATOM 1308 CE LYS A 85 -8.275 23.850 6.879 1.00 0.00 C ATOM 1309 NZ LYS A 85 -8.823 24.905 7.756 1.00 0.00 N ATOM 0 H LYS A 85 -8.488 20.694 2.355 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.801 19.417 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.939 21.437 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.219 20.252 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.015 21.327 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.606 22.421 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.252 23.375 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.658 22.282 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.454 23.339 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.864 24.298 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.071 25.581 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.591 25.403 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.194 24.474 8.627 1.00 0.00 H new ATOM 1323 N VAL A 86 -11.256 18.693 2.444 1.00 0.00 N ATOM 1324 CA VAL A 86 -12.364 17.795 2.108 1.00 0.00 C ATOM 1325 C VAL A 86 -11.907 16.342 2.265 1.00 0.00 C ATOM 1326 O VAL A 86 -10.811 16.023 1.801 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.000 18.163 0.757 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -11.912 18.432 -0.263 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -13.961 17.101 0.214 1.00 0.00 C ATOM 0 H VAL A 86 -10.865 19.166 1.629 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.188 17.919 2.811 1.00 0.00 H new ATOM 0 HB VAL A 86 -13.597 19.058 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -12.366 18.692 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.288 19.258 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.298 17.540 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.369 17.433 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.424 16.163 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -14.775 16.950 0.923 1.00 0.00 H new ATOM 1339 N VAL A 87 -12.686 15.465 2.907 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.287 14.083 3.180 1.00 0.00 C ATOM 1341 C VAL A 87 -12.541 13.244 1.919 1.00 0.00 C ATOM 1342 O VAL A 87 -13.544 12.533 1.778 1.00 0.00 O ATOM 1343 CB VAL A 87 -12.973 13.529 4.447 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.269 12.238 4.888 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -12.920 14.495 5.641 1.00 0.00 C ATOM 0 H VAL A 87 -13.617 15.697 3.253 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.222 14.036 3.406 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.016 13.366 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.753 11.847 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.331 11.499 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.222 12.450 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.420 14.043 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.881 14.702 5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.422 15.426 5.378 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.624 13.362 0.964 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.668 12.659 -0.310 1.00 0.00 C ATOM 1357 C ILE A 88 -11.369 11.171 -0.143 1.00 0.00 C ATOM 1358 O ILE A 88 -11.851 10.353 -0.928 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.689 13.309 -1.308 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.260 13.464 -0.739 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.265 14.671 -1.724 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.243 13.851 -1.812 1.00 0.00 C ATOM 0 H ILE A 88 -10.808 13.966 1.059 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.680 12.741 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.590 12.653 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.264 14.222 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.954 12.527 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.589 15.151 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.238 14.527 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.377 15.303 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.256 13.947 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.216 13.080 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.531 14.802 -2.260 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.595 10.789 0.869 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.170 9.415 1.030 1.00 0.00 C ATOM 1376 C GLY A 89 -9.609 9.172 2.413 1.00 0.00 C ATOM 1377 O GLY A 89 -9.654 10.046 3.277 1.00 0.00 O ATOM 0 H GLY A 89 -10.251 11.422 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.014 8.748 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.415 9.176 0.282 1.00 0.00 H new ATOM 1381 N TRP A 90 -9.064 7.976 2.610 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.515 7.534 3.869 1.00 0.00 C ATOM 1383 C TRP A 90 -7.298 6.699 3.528 1.00 0.00 C ATOM 1384 O TRP A 90 -7.324 5.895 2.590 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.593 6.763 4.636 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.772 7.584 4.997 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.912 8.336 6.108 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.933 7.836 4.174 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.091 9.055 6.015 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.757 8.788 4.832 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -12.310 7.399 2.889 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.924 9.284 4.232 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.488 7.879 2.287 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.292 8.824 2.954 1.00 0.00 C ATOM 0 H TRP A 90 -8.994 7.275 1.873 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.208 8.352 4.521 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.922 5.918 4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.155 6.353 5.546 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.218 8.371 6.935 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.427 9.701 6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.690 6.690 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.534 10.012 4.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.777 7.521 1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.191 9.196 2.485 1.00 0.00 H new ATOM 1405 N ASP A 91 -6.217 6.962 4.245 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.924 6.332 4.080 1.00 0.00 C ATOM 1407 C ASP A 91 -5.013 5.052 4.894 1.00 0.00 C ATOM 1408 O ASP A 91 -4.814 5.078 6.113 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.813 7.307 4.543 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.827 7.619 3.414 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.392 6.656 2.752 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.502 8.813 3.214 1.00 0.00 O ATOM 0 H ASP A 91 -6.222 7.655 4.993 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.669 6.090 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.266 8.233 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.276 6.873 5.386 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.482 3.962 4.280 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.493 2.652 4.943 1.00 0.00 C ATOM 1419 C LYS A 92 -4.095 2.065 4.771 1.00 0.00 C ATOM 1420 O LYS A 92 -3.726 1.662 3.667 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.565 1.690 4.399 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.997 1.924 4.901 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.594 3.261 4.443 1.00 0.00 C ATOM 1424 CE LYS A 92 -10.126 3.216 4.485 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.703 2.840 3.182 1.00 0.00 N ATOM 0 H LYS A 92 -5.857 3.958 3.331 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.753 2.786 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.567 1.758 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.274 0.671 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.634 1.112 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.003 1.887 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.232 4.065 5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.260 3.486 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.447 2.502 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.509 4.192 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.440 2.120 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.121 3.679 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.956 2.455 2.570 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.335 2.041 5.861 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.993 1.468 5.885 1.00 0.00 C ATOM 1441 C TYR A 93 -2.082 -0.058 5.797 1.00 0.00 C ATOM 1442 O TYR A 93 -3.136 -0.618 6.094 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.310 1.882 7.196 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.846 3.330 7.262 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.765 4.397 7.294 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.529 3.613 7.314 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.319 5.726 7.373 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.986 4.932 7.413 1.00 0.00 C ATOM 1449 CZ TYR A 93 0.064 5.998 7.464 1.00 0.00 C ATOM 1450 OH TYR A 93 0.516 7.267 7.642 1.00 0.00 O ATOM 0 H TYR A 93 -3.635 2.421 6.759 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.413 1.832 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.002 1.702 8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.448 1.234 7.357 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.824 4.191 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.242 2.803 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.031 6.538 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.046 5.134 7.450 1.00 0.00 H new ATOM 0 HH TYR A 93 1.359 7.247 8.141 1.00 0.00 H new ATOM 1460 N PHE A 94 -0.974 -0.757 5.514 1.00 0.00 N ATOM 1461 CA PHE A 94 -0.882 -2.209 5.704 1.00 0.00 C ATOM 1462 C PHE A 94 0.434 -2.580 6.346 1.00 0.00 C ATOM 1463 O PHE A 94 1.463 -1.980 6.038 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.043 -2.987 4.391 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.353 -2.636 3.732 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -3.564 -3.080 4.296 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -2.358 -1.662 2.726 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -4.782 -2.510 3.887 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -3.578 -1.095 2.322 1.00 0.00 C ATOM 1470 CZ PHE A 94 -4.786 -1.507 2.907 1.00 0.00 C ATOM 0 H PHE A 94 -0.121 -0.333 5.149 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.707 -2.487 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.217 -2.755 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.003 -4.058 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.557 -3.859 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.433 -1.350 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -5.711 -2.843 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.587 -0.335 1.554 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.717 -1.052 2.603 1.00 0.00 H new ATOM 1480 N GLU A 95 0.383 -3.581 7.215 1.00 0.00 N ATOM 1481 CA GLU A 95 1.489 -4.438 7.576 1.00 0.00 C ATOM 1482 C GLU A 95 1.341 -5.618 6.633 1.00 0.00 C ATOM 1483 O GLU A 95 0.307 -6.282 6.710 1.00 0.00 O ATOM 1484 CB GLU A 95 1.310 -4.863 9.046 1.00 0.00 C ATOM 1485 CG GLU A 95 2.574 -5.473 9.653 1.00 0.00 C ATOM 1486 CD GLU A 95 2.516 -5.559 11.182 1.00 0.00 C ATOM 1487 OE1 GLU A 95 1.489 -5.210 11.815 1.00 0.00 O ATOM 1488 OE2 GLU A 95 3.543 -5.940 11.778 1.00 0.00 O ATOM 0 H GLU A 95 -0.476 -3.824 7.708 1.00 0.00 H new ATOM 0 HA GLU A 95 2.473 -3.976 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.014 -3.995 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.497 -5.586 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.723 -6.472 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.437 -4.876 9.360 1.00 0.00 H new ATOM 1495 N ILE A 96 2.276 -5.836 5.709 1.00 0.00 N ATOM 1496 CA ILE A 96 2.310 -7.028 4.883 1.00 0.00 C ATOM 1497 C ILE A 96 3.636 -7.736 5.198 1.00 0.00 C ATOM 1498 O ILE A 96 4.652 -7.066 5.381 1.00 0.00 O ATOM 1499 CB ILE A 96 2.137 -6.694 3.374 1.00 0.00 C ATOM 1500 CG1 ILE A 96 1.181 -5.507 3.085 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.590 -7.949 2.668 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.293 -4.960 1.662 1.00 0.00 C ATOM 0 H ILE A 96 3.034 -5.181 5.516 1.00 0.00 H new ATOM 0 HA ILE A 96 1.473 -7.689 5.108 1.00 0.00 H new ATOM 0 HB ILE A 96 3.117 -6.393 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.154 -5.828 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.390 -4.703 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.459 -7.741 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.293 -8.772 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.630 -8.223 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.595 -4.133 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.309 -4.608 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.054 -5.749 0.949 1.00 0.00 H new ATOM 1514 N PRO A 97 3.674 -9.074 5.272 1.00 0.00 N ATOM 1515 CA PRO A 97 4.924 -9.805 5.182 1.00 0.00 C ATOM 1516 C PRO A 97 5.586 -9.579 3.822 1.00 0.00 C ATOM 1517 O PRO A 97 4.951 -9.157 2.851 1.00 0.00 O ATOM 1518 CB PRO A 97 4.551 -11.275 5.377 1.00 0.00 C ATOM 1519 CG PRO A 97 3.087 -11.341 4.975 1.00 0.00 C ATOM 1520 CD PRO A 97 2.552 -9.985 5.385 1.00 0.00 C ATOM 0 HA PRO A 97 5.644 -9.474 5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.165 -11.928 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.695 -11.589 6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.971 -11.512 3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.566 -12.150 5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.730 -9.676 4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.166 -10.007 6.404 1.00 0.00 H new ATOM 1528 N MET A 98 6.863 -9.945 3.748 1.00 0.00 N ATOM 1529 CA MET A 98 7.614 -10.027 2.503 1.00 0.00 C ATOM 1530 C MET A 98 7.676 -11.482 2.023 1.00 0.00 C ATOM 1531 O MET A 98 7.521 -11.742 0.830 1.00 0.00 O ATOM 1532 CB MET A 98 9.029 -9.470 2.703 1.00 0.00 C ATOM 1533 CG MET A 98 9.037 -7.958 2.941 1.00 0.00 C ATOM 1534 SD MET A 98 10.697 -7.315 3.267 1.00 0.00 S ATOM 1535 CE MET A 98 10.275 -5.625 3.761 1.00 0.00 C ATOM 0 H MET A 98 7.413 -10.197 4.569 1.00 0.00 H new ATOM 0 HA MET A 98 7.109 -9.429 1.744 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.496 -9.970 3.551 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.633 -9.699 1.825 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.621 -7.454 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.388 -7.723 3.785 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.154 -5.139 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.936 -5.065 2.889 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.481 -5.652 4.507 1.00 0.00 H new ATOM 1545 N ASP A 99 7.887 -12.433 2.940 1.00 0.00 N ATOM 1546 CA ASP A 99 8.144 -13.834 2.592 1.00 0.00 C ATOM 1547 C ASP A 99 6.859 -14.562 2.196 1.00 0.00 C ATOM 1548 O ASP A 99 6.883 -15.476 1.374 1.00 0.00 O ATOM 1549 CB ASP A 99 8.819 -14.573 3.767 1.00 0.00 C ATOM 1550 CG ASP A 99 10.131 -15.238 3.359 1.00 0.00 C ATOM 1551 OD1 ASP A 99 10.201 -15.873 2.279 1.00 0.00 O ATOM 1552 OD2 ASP A 99 11.128 -15.035 4.087 1.00 0.00 O ATOM 0 H ASP A 99 7.884 -12.253 3.944 1.00 0.00 H new ATOM 0 HA ASP A 99 8.815 -13.835 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.009 -13.867 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.137 -15.329 4.157 1.00 0.00 H new ATOM 1557 N ALA A 100 5.710 -14.150 2.748 1.00 0.00 N ATOM 1558 CA ALA A 100 4.424 -14.807 2.502 1.00 0.00 C ATOM 1559 C ALA A 100 3.798 -14.409 1.152 1.00 0.00 C ATOM 1560 O ALA A 100 2.618 -14.684 0.909 1.00 0.00 O ATOM 1561 CB ALA A 100 3.463 -14.524 3.657 1.00 0.00 C ATOM 0 H ALA A 100 5.648 -13.350 3.378 1.00 0.00 H new ATOM 0 HA ALA A 100 4.613 -15.879 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.509 -15.016 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.888 -14.905 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.305 -13.449 3.744 1.00 0.00 H new ATOM 1567 N LEU A 101 4.551 -13.726 0.289 1.00 0.00 N ATOM 1568 CA LEU A 101 4.084 -13.211 -0.989 1.00 0.00 C ATOM 1569 C LEU A 101 4.407 -14.185 -2.105 1.00 0.00 C ATOM 1570 O LEU A 101 5.228 -15.088 -1.964 1.00 0.00 O ATOM 1571 CB LEU A 101 4.752 -11.870 -1.294 1.00 0.00 C ATOM 1572 CG LEU A 101 4.463 -10.789 -0.245 1.00 0.00 C ATOM 1573 CD1 LEU A 101 5.306 -9.573 -0.600 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.976 -10.413 -0.183 1.00 0.00 C ATOM 0 H LEU A 101 5.532 -13.512 0.470 1.00 0.00 H new ATOM 0 HA LEU A 101 3.004 -13.078 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.830 -12.018 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.414 -11.518 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 101 4.718 -11.171 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.126 -8.781 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.361 -9.845 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.035 -9.221 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.826 -9.644 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.656 -10.033 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.388 -11.294 0.073 1.00 0.00 H new ATOM 1586 N GLN A 102 3.696 -14.019 -3.211 1.00 0.00 N ATOM 1587 CA GLN A 102 3.775 -14.901 -4.352 1.00 0.00 C ATOM 1588 C GLN A 102 5.048 -14.677 -5.159 1.00 0.00 C ATOM 1589 O GLN A 102 5.522 -15.607 -5.808 1.00 0.00 O ATOM 1590 CB GLN A 102 2.546 -14.615 -5.218 1.00 0.00 C ATOM 1591 CG GLN A 102 2.236 -15.815 -6.104 1.00 0.00 C ATOM 1592 CD GLN A 102 0.857 -15.666 -6.725 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.642 -14.775 -7.542 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.137 -16.415 -6.278 1.00 0.00 N ATOM 0 H GLN A 102 3.037 -13.251 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 102 3.800 -15.938 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.689 -14.391 -4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.724 -13.734 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.988 -15.902 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.281 -16.732 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.047 -17.154 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.087 -16.254 -6.612 1.00 0.00 H new ATOM 1603 N ASP A 103 5.536 -13.441 -5.150 1.00 0.00 N ATOM 1604 CA ASP A 103 6.610 -12.915 -5.978 1.00 0.00 C ATOM 1605 C ASP A 103 7.385 -11.892 -5.141 1.00 0.00 C ATOM 1606 O ASP A 103 6.956 -11.513 -4.041 1.00 0.00 O ATOM 1607 CB ASP A 103 6.020 -12.175 -7.194 1.00 0.00 C ATOM 1608 CG ASP A 103 5.231 -13.006 -8.204 1.00 0.00 C ATOM 1609 OD1 ASP A 103 5.575 -14.168 -8.488 1.00 0.00 O ATOM 1610 OD2 ASP A 103 4.336 -12.422 -8.866 1.00 0.00 O ATOM 0 H ASP A 103 5.163 -12.732 -4.518 1.00 0.00 H new ATOM 0 HA ASP A 103 7.249 -13.731 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.367 -11.385 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.840 -11.689 -7.724 1.00 0.00 H new ATOM 1615 N ASN A 104 8.472 -11.349 -5.689 1.00 0.00 N ATOM 1616 CA ASN A 104 9.165 -10.179 -5.160 1.00 0.00 C ATOM 1617 C ASN A 104 8.426 -8.905 -5.606 1.00 0.00 C ATOM 1618 O ASN A 104 9.051 -7.989 -6.136 1.00 0.00 O ATOM 1619 CB ASN A 104 10.637 -10.138 -5.625 1.00 0.00 C ATOM 1620 CG ASN A 104 11.466 -11.348 -5.233 1.00 0.00 C ATOM 1621 OD1 ASN A 104 11.181 -12.467 -5.640 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.503 -11.152 -4.443 1.00 0.00 N ATOM 0 H ASN A 104 8.904 -11.722 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 104 9.167 -10.239 -4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.657 -10.038 -6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.108 -9.245 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.085 -11.941 -4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.724 -10.212 -4.115 1.00 0.00 H new ATOM 1629 N SER A 105 7.100 -8.821 -5.448 1.00 0.00 N ATOM 1630 CA SER A 105 6.365 -7.581 -5.683 1.00 0.00 C ATOM 1631 C SER A 105 5.253 -7.428 -4.650 1.00 0.00 C ATOM 1632 O SER A 105 4.868 -8.391 -3.977 1.00 0.00 O ATOM 1633 CB SER A 105 5.850 -7.502 -7.140 1.00 0.00 C ATOM 1634 OG SER A 105 4.808 -8.426 -7.390 1.00 0.00 O ATOM 0 H SER A 105 6.515 -9.604 -5.157 1.00 0.00 H new ATOM 0 HA SER A 105 7.042 -6.736 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.494 -6.492 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.675 -7.693 -7.826 1.00 0.00 H new ATOM 0 HG SER A 105 4.512 -8.341 -8.320 1.00 0.00 H new ATOM 1640 N ILE A 106 4.693 -6.226 -4.569 1.00 0.00 N ATOM 1641 CA ILE A 106 3.500 -5.871 -3.819 1.00 0.00 C ATOM 1642 C ILE A 106 2.421 -5.469 -4.834 1.00 0.00 C ATOM 1643 O ILE A 106 2.698 -5.314 -6.029 1.00 0.00 O ATOM 1644 CB ILE A 106 3.893 -4.833 -2.742 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.835 -4.680 -1.631 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.361 -3.497 -3.335 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.828 -3.535 -1.789 1.00 0.00 C ATOM 0 H ILE A 106 5.089 -5.423 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 106 3.059 -6.688 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 106 4.770 -5.245 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.279 -5.615 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.355 -4.547 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.622 -2.812 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.234 -3.665 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.559 -3.064 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.140 -3.536 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.360 -2.584 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.267 -3.669 -2.714 1.00 0.00 H new ATOM 1659 N GLN A 107 1.169 -5.425 -4.378 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.029 -4.927 -5.047 1.00 0.00 C ATOM 1661 C GLN A 107 -1.157 -4.953 -4.006 1.00 0.00 C ATOM 1662 O GLN A 107 -1.066 -5.713 -3.036 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.392 -5.828 -6.236 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.404 -5.180 -7.184 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.710 -6.024 -8.408 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -1.326 -7.187 -8.507 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.470 -5.455 -9.327 1.00 0.00 N ATOM 0 H GLN A 107 0.950 -5.770 -3.443 1.00 0.00 H new ATOM 0 HA GLN A 107 0.131 -3.920 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.514 -6.072 -6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.800 -6.767 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.330 -4.992 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.021 -4.212 -7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.771 -4.487 -9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.756 -5.984 -10.151 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.223 -4.182 -4.218 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.443 -4.171 -3.418 1.00 0.00 C ATOM 1678 C ILE A 108 -4.605 -4.186 -4.425 1.00 0.00 C ATOM 1679 O ILE A 108 -4.431 -3.794 -5.582 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.442 -2.921 -2.499 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.285 -2.985 -1.469 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.783 -2.737 -1.760 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.001 -1.659 -0.766 1.00 0.00 C ATOM 0 H ILE A 108 -2.259 -3.517 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.531 -5.030 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.295 -2.060 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.523 -3.738 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.379 -3.316 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.732 -1.849 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.586 -2.620 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.980 -3.611 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.179 -1.789 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.730 -0.906 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.891 -1.335 -0.228 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.796 -4.616 -4.010 1.00 0.00 N ATOM 1696 CA LYS A 109 -7.014 -4.411 -4.788 1.00 0.00 C ATOM 1697 C LYS A 109 -8.196 -4.121 -3.864 1.00 0.00 C ATOM 1698 O LYS A 109 -8.126 -4.504 -2.688 1.00 0.00 O ATOM 1699 CB LYS A 109 -7.238 -5.599 -5.745 1.00 0.00 C ATOM 1700 CG LYS A 109 -7.267 -6.982 -5.068 1.00 0.00 C ATOM 1701 CD LYS A 109 -6.412 -8.040 -5.781 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.909 -7.708 -5.831 1.00 0.00 C ATOM 1703 NZ LYS A 109 -4.162 -8.843 -6.413 1.00 0.00 N ATOM 0 H LYS A 109 -5.942 -5.113 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.911 -3.529 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.180 -5.449 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.448 -5.595 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.919 -6.880 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.298 -7.332 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.545 -8.998 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.780 -8.162 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.746 -6.810 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.541 -7.496 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.162 -8.581 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.237 -9.667 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.561 -9.081 -7.344 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.252 -3.427 -4.308 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.363 -3.085 -3.409 1.00 0.00 C ATOM 1719 C ALA A 110 -11.670 -2.995 -4.188 1.00 0.00 C ATOM 1720 O ALA A 110 -11.653 -2.644 -5.364 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.021 -1.771 -2.713 1.00 0.00 C ATOM 0 H ALA A 110 -9.361 -3.096 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.501 -3.861 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.832 -1.495 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.100 -1.890 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.887 -0.988 -3.459 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.798 -3.303 -3.545 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.107 -3.257 -4.198 1.00 0.00 C ATOM 1729 C LEU A 111 -14.507 -1.790 -4.357 1.00 0.00 C ATOM 1730 O LEU A 111 -14.399 -0.997 -3.413 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.138 -4.033 -3.362 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.443 -4.485 -4.069 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -17.257 -3.441 -4.805 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -16.242 -5.674 -5.005 1.00 0.00 C ATOM 0 H LEU A 111 -12.830 -3.589 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.065 -3.727 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.647 -4.921 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.415 -3.412 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.034 -4.759 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -18.137 -3.910 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -17.570 -2.665 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.650 -2.996 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.193 -5.939 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.524 -5.409 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.865 -6.525 -4.437 1.00 0.00 H new ATOM 1746 N SER A 112 -15.029 -1.436 -5.520 1.00 0.00 N ATOM 1747 CA SER A 112 -15.628 -0.139 -5.797 1.00 0.00 C ATOM 1748 C SER A 112 -17.151 -0.283 -5.729 1.00 0.00 C ATOM 1749 O SER A 112 -17.765 0.194 -4.766 1.00 0.00 O ATOM 1750 CB SER A 112 -15.064 0.420 -7.117 1.00 0.00 C ATOM 1751 OG SER A 112 -15.878 1.473 -7.593 1.00 0.00 O ATOM 0 H SER A 112 -15.048 -2.063 -6.324 1.00 0.00 H new ATOM 0 HA SER A 112 -15.367 0.610 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.047 0.780 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.012 -0.373 -7.863 1.00 0.00 H new ATOM 0 HG SER A 112 -15.408 2.326 -7.481 1.00 0.00 H new ATOM 1757 N SER A 113 -17.762 -0.995 -6.676 1.00 0.00 N ATOM 1758 CA SER A 113 -19.198 -1.172 -6.779 1.00 0.00 C ATOM 1759 C SER A 113 -19.459 -2.477 -7.531 1.00 0.00 C ATOM 1760 O SER A 113 -18.706 -2.823 -8.448 1.00 0.00 O ATOM 1761 CB SER A 113 -19.804 0.061 -7.475 1.00 0.00 C ATOM 1762 OG SER A 113 -21.217 -0.012 -7.478 1.00 0.00 O ATOM 0 H SER A 113 -17.248 -1.477 -7.413 1.00 0.00 H new ATOM 0 HA SER A 113 -19.675 -1.249 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.483 0.968 -6.964 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.436 0.125 -8.499 1.00 0.00 H new ATOM 0 HG SER A 113 -21.585 0.780 -7.923 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.520 -3.189 -7.140 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.962 -4.445 -7.724 1.00 0.00 C ATOM 1770 C GLY A 114 -19.919 -5.537 -7.546 1.00 0.00 C ATOM 1771 O GLY A 114 -19.857 -6.181 -6.500 1.00 0.00 O ATOM 0 H GLY A 114 -21.118 -2.885 -6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.898 -4.755 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.165 -4.303 -8.786 1.00 0.00 H new ATOM 1775 N THR A 115 -19.096 -5.741 -8.567 1.00 0.00 N ATOM 1776 CA THR A 115 -18.044 -6.753 -8.634 1.00 0.00 C ATOM 1777 C THR A 115 -16.703 -6.126 -9.017 1.00 0.00 C ATOM 1778 O THR A 115 -15.679 -6.808 -8.990 1.00 0.00 O ATOM 1779 CB THR A 115 -18.455 -7.844 -9.645 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.128 -7.259 -10.754 1.00 0.00 O ATOM 1781 CG2 THR A 115 -19.400 -8.850 -8.983 1.00 0.00 C ATOM 0 H THR A 115 -19.145 -5.177 -9.415 1.00 0.00 H new ATOM 0 HA THR A 115 -17.919 -7.206 -7.650 1.00 0.00 H new ATOM 0 HB THR A 115 -17.551 -8.350 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.382 -7.960 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 115 -19.683 -9.614 -9.707 1.00 0.00 H new ATOM 0 HG22 THR A 115 -18.897 -9.319 -8.137 1.00 0.00 H new ATOM 0 HG23 THR A 115 -20.294 -8.334 -8.633 1.00 0.00 H new ATOM 1789 N THR A 116 -16.694 -4.840 -9.380 1.00 0.00 N ATOM 1790 CA THR A 116 -15.483 -4.147 -9.762 1.00 0.00 C ATOM 1791 C THR A 116 -14.596 -4.062 -8.537 1.00 0.00 C ATOM 1792 O THR A 116 -14.959 -3.520 -7.489 1.00 0.00 O ATOM 1793 CB THR A 116 -15.808 -2.765 -10.316 1.00 0.00 C ATOM 1794 OG1 THR A 116 -16.500 -2.914 -11.549 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.588 -1.852 -10.501 1.00 0.00 C ATOM 0 H THR A 116 -17.532 -4.259 -9.414 1.00 0.00 H new ATOM 0 HA THR A 116 -14.964 -4.687 -10.554 1.00 0.00 H new ATOM 0 HB THR A 116 -16.430 -2.268 -9.571 1.00 0.00 H new ATOM 0 HG1 THR A 116 -16.715 -2.030 -11.912 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.911 -0.890 -10.899 1.00 0.00 H new ATOM 0 HG22 THR A 116 -14.097 -1.701 -9.539 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.888 -2.316 -11.196 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.400 -4.570 -8.744 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.305 -4.675 -7.822 1.00 0.00 C ATOM 1805 C PHE A 117 -11.177 -3.934 -8.510 1.00 0.00 C ATOM 1806 O PHE A 117 -10.637 -4.431 -9.491 1.00 0.00 O ATOM 1807 CB PHE A 117 -11.994 -6.158 -7.567 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.164 -6.558 -6.121 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -11.189 -6.198 -5.176 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.307 -7.265 -5.714 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -11.365 -6.521 -3.821 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.471 -7.612 -4.362 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.509 -7.228 -3.412 1.00 0.00 C ATOM 0 H PHE A 117 -13.153 -4.956 -9.655 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.500 -4.249 -6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.647 -6.772 -8.187 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.970 -6.367 -7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.301 -5.671 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.059 -7.542 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.623 -6.227 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.339 -8.175 -4.052 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.648 -7.476 -2.370 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.892 -2.707 -8.094 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.729 -1.993 -8.590 1.00 0.00 C ATOM 1825 C VAL A 118 -8.486 -2.717 -8.205 1.00 0.00 C ATOM 1826 O VAL A 118 -8.265 -2.973 -7.031 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.708 -0.543 -8.102 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -10.064 -0.334 -6.641 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.556 0.287 -8.674 1.00 0.00 C ATOM 0 H VAL A 118 -11.450 -2.189 -7.416 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.785 -1.957 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.579 -0.081 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -10.018 0.729 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.073 -0.703 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.358 -0.877 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.609 1.302 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.606 -0.163 -8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.632 0.314 -9.761 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.672 -3.001 -9.205 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.373 -3.591 -9.044 1.00 0.00 C ATOM 1841 C TYR A 119 -5.372 -2.446 -9.152 1.00 0.00 C ATOM 1842 O TYR A 119 -5.402 -1.684 -10.125 1.00 0.00 O ATOM 1843 CB TYR A 119 -6.236 -4.656 -10.144 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.392 -5.653 -10.210 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -7.506 -6.701 -9.273 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -8.403 -5.496 -11.178 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -8.561 -7.624 -9.344 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -9.445 -6.433 -11.282 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.536 -7.492 -10.353 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.591 -8.349 -10.388 1.00 0.00 O ATOM 0 H TYR A 119 -7.913 -2.818 -10.179 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.204 -4.089 -8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.150 -4.155 -11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.308 -5.205 -9.986 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.770 -6.795 -8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -8.377 -4.648 -11.846 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.625 -8.431 -8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -10.176 -6.343 -12.072 1.00 0.00 H new ATOM 0 HH TYR A 119 -11.172 -8.122 -11.144 1.00 0.00 H new ATOM 1860 N SER A 120 -4.557 -2.256 -8.117 1.00 0.00 N ATOM 1861 CA SER A 120 -3.585 -1.172 -8.062 1.00 0.00 C ATOM 1862 C SER A 120 -2.486 -1.391 -9.112 1.00 0.00 C ATOM 1863 O SER A 120 -2.408 -2.474 -9.702 1.00 0.00 O ATOM 1864 CB SER A 120 -2.985 -1.168 -6.656 1.00 0.00 C ATOM 1865 OG SER A 120 -1.908 -2.065 -6.409 1.00 0.00 O ATOM 0 H SER A 120 -4.554 -2.853 -7.290 1.00 0.00 H new ATOM 0 HA SER A 120 -4.062 -0.216 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.640 -0.157 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.782 -1.393 -5.947 1.00 0.00 H new ATOM 0 HG SER A 120 -1.152 -1.836 -6.989 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.536 -0.447 -9.227 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.302 -0.713 -9.958 1.00 0.00 C ATOM 1873 C GLN A 121 0.476 -1.842 -9.262 1.00 0.00 C ATOM 1874 O GLN A 121 0.270 -2.081 -8.066 1.00 0.00 O ATOM 1875 CB GLN A 121 0.513 0.582 -10.126 1.00 0.00 C ATOM 1876 CG GLN A 121 1.355 1.052 -8.931 1.00 0.00 C ATOM 1877 CD GLN A 121 0.765 2.164 -8.075 1.00 0.00 C ATOM 1878 OE1 GLN A 121 -0.276 2.002 -7.438 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.482 3.280 -8.005 1.00 0.00 N ATOM 0 H GLN A 121 -1.603 0.489 -8.828 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.528 -1.059 -10.967 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.181 0.450 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.179 1.383 -10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.544 0.192 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.321 1.388 -9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.339 3.371 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.176 4.046 -7.405 1.00 0.00 H new ATOM 1888 N LYS A 122 1.394 -2.508 -9.963 1.00 0.00 N ATOM 1889 CA LYS A 122 2.162 -3.659 -9.467 1.00 0.00 C ATOM 1890 C LYS A 122 3.600 -3.195 -9.231 1.00 0.00 C ATOM 1891 O LYS A 122 4.211 -2.699 -10.175 1.00 0.00 O ATOM 1892 CB LYS A 122 2.084 -4.749 -10.552 1.00 0.00 C ATOM 1893 CG LYS A 122 2.810 -6.068 -10.224 1.00 0.00 C ATOM 1894 CD LYS A 122 3.286 -6.719 -11.534 1.00 0.00 C ATOM 1895 CE LYS A 122 3.812 -8.146 -11.381 1.00 0.00 C ATOM 1896 NZ LYS A 122 2.749 -9.143 -11.136 1.00 0.00 N ATOM 0 H LYS A 122 1.634 -2.256 -10.922 1.00 0.00 H new ATOM 0 HA LYS A 122 1.774 -4.059 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.034 -4.971 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.499 -4.347 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.660 -5.877 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.141 -6.743 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.458 -6.725 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.072 -6.100 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.357 -8.422 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.524 -8.176 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.174 -10.088 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.243 -8.902 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.081 -9.142 -11.933 1.00 0.00 H new ATOM 1910 N ILE A 123 4.147 -3.336 -8.022 1.00 0.00 N ATOM 1911 CA ILE A 123 5.468 -2.813 -7.659 1.00 0.00 C ATOM 1912 C ILE A 123 6.345 -3.963 -7.207 1.00 0.00 C ATOM 1913 O ILE A 123 6.252 -4.429 -6.073 1.00 0.00 O ATOM 1914 CB ILE A 123 5.342 -1.672 -6.611 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.400 -0.515 -7.005 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.697 -1.059 -6.229 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.763 0.238 -8.280 1.00 0.00 C ATOM 0 H ILE A 123 3.680 -3.823 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 123 5.949 -2.358 -8.524 1.00 0.00 H new ATOM 0 HB ILE A 123 4.901 -2.191 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.393 -0.915 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.369 0.199 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.544 -0.268 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.338 -1.831 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.171 -0.642 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.032 1.027 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.754 0.679 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.762 -0.453 -9.123 1.00 0.00 H new ATOM 1929 N ASP A 124 7.182 -4.423 -8.130 1.00 0.00 N ATOM 1930 CA ASP A 124 8.330 -5.281 -7.878 1.00 0.00 C ATOM 1931 C ASP A 124 9.266 -4.569 -6.890 1.00 0.00 C ATOM 1932 O ASP A 124 9.359 -3.343 -6.911 1.00 0.00 O ATOM 1933 CB ASP A 124 8.968 -5.623 -9.233 1.00 0.00 C ATOM 1934 CG ASP A 124 8.314 -6.846 -9.890 1.00 0.00 C ATOM 1935 OD1 ASP A 124 7.122 -6.779 -10.280 1.00 0.00 O ATOM 1936 OD2 ASP A 124 8.981 -7.895 -10.038 1.00 0.00 O ATOM 0 H ASP A 124 7.072 -4.197 -9.119 1.00 0.00 H new ATOM 0 HA ASP A 124 8.061 -6.227 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.882 -4.765 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.032 -5.813 -9.094 1.00 0.00 H new ATOM 1941 N PHE A 125 9.922 -5.292 -5.981 1.00 0.00 N ATOM 1942 CA PHE A 125 10.836 -4.757 -4.968 1.00 0.00 C ATOM 1943 C PHE A 125 11.969 -5.744 -4.723 1.00 0.00 C ATOM 1944 O PHE A 125 11.886 -6.898 -5.159 1.00 0.00 O ATOM 1945 CB PHE A 125 10.074 -4.450 -3.663 1.00 0.00 C ATOM 1946 CG PHE A 125 9.440 -5.626 -2.932 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.245 -6.490 -2.169 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.043 -5.805 -2.906 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.687 -7.501 -1.374 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.475 -6.830 -2.124 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.296 -7.671 -1.350 1.00 0.00 C ATOM 0 H PHE A 125 9.828 -6.306 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 125 11.265 -3.823 -5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 125 10.764 -3.959 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.287 -3.732 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.318 -6.372 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.406 -5.155 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.324 -8.144 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.404 -6.971 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.855 -8.445 -0.739 1.00 0.00 H new ATOM 1961 N GLU A 126 12.996 -5.346 -3.969 1.00 0.00 N ATOM 1962 CA GLU A 126 14.061 -6.270 -3.640 1.00 0.00 C ATOM 1963 C GLU A 126 13.930 -6.738 -2.199 1.00 0.00 C ATOM 1964 O GLU A 126 13.497 -5.996 -1.310 1.00 0.00 O ATOM 1965 CB GLU A 126 15.380 -5.679 -4.111 1.00 0.00 C ATOM 1966 CG GLU A 126 15.614 -5.930 -5.611 1.00 0.00 C ATOM 1967 CD GLU A 126 15.586 -4.685 -6.513 1.00 0.00 C ATOM 1968 OE1 GLU A 126 14.857 -3.705 -6.245 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.317 -4.754 -7.535 1.00 0.00 O ATOM 0 H GLU A 126 13.105 -4.407 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 126 14.001 -7.215 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.388 -4.607 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.199 -6.114 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 126 16.580 -6.420 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 126 14.856 -6.629 -5.965 1.00 0.00 H new ATOM 1976 N ARG A 127 14.250 -8.019 -2.003 1.00 0.00 N ATOM 1977 CA ARG A 127 14.304 -8.723 -0.742 1.00 0.00 C ATOM 1978 C ARG A 127 15.754 -8.641 -0.308 1.00 0.00 C ATOM 1979 O ARG A 127 16.628 -9.239 -0.933 1.00 0.00 O ATOM 1980 CB ARG A 127 13.897 -10.198 -0.942 1.00 0.00 C ATOM 1981 CG ARG A 127 12.407 -10.433 -1.229 1.00 0.00 C ATOM 1982 CD ARG A 127 11.536 -10.503 0.030 1.00 0.00 C ATOM 1983 NE ARG A 127 11.842 -11.682 0.860 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.482 -12.954 0.627 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.644 -13.271 -0.355 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.980 -13.921 1.386 1.00 0.00 N ATOM 0 H ARG A 127 14.494 -8.626 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 127 13.627 -8.295 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.479 -10.610 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.171 -10.758 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.039 -9.631 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.297 -11.363 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.682 -9.599 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.485 -10.528 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 127 12.388 -11.513 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.259 -12.540 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.386 -14.246 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.630 -13.695 2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.713 -14.891 1.217 1.00 0.00 H new ATOM 2000 N GLU A 128 16.024 -7.844 0.712 1.00 0.00 N ATOM 2001 CA GLU A 128 17.133 -8.128 1.591 1.00 0.00 C ATOM 2002 C GLU A 128 16.665 -9.371 2.339 1.00 0.00 C ATOM 2003 O GLU A 128 16.801 -10.493 1.815 1.00 0.00 O ATOM 2004 CB GLU A 128 17.448 -6.945 2.511 1.00 0.00 C ATOM 2005 CG GLU A 128 18.548 -7.283 3.519 1.00 0.00 C ATOM 2006 CD GLU A 128 20.001 -7.250 3.016 1.00 0.00 C ATOM 2007 OE1 GLU A 128 20.261 -6.814 1.867 1.00 0.00 O ATOM 2008 OE2 GLU A 128 20.893 -7.644 3.808 1.00 0.00 O ATOM 0 H GLU A 128 15.494 -7.005 0.946 1.00 0.00 H new ATOM 0 HA GLU A 128 18.075 -8.295 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 128 17.757 -6.090 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 128 16.545 -6.650 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 128 18.465 -6.588 4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 128 18.350 -8.280 3.913 1.00 0.00 H new