USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= -0.0922 K(o=-0.31,f=-2.3) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.218 K(o=-0.31,f=-2.3!) USER MOD Set 2.1: A 66 TYR OH : rot -93:sc= 1.27 USER MOD Set 2.2: A 70 MET CE :methyl -159:sc= -0.57 (180deg=-1.69) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.51) USER MOD Single : A 14 GLN : amide:sc= -0.0817 K(o=-0.082,f=-0.77) USER MOD Single : A 18 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -166:sc= -2.87! (180deg=-3.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 177:sc= 1.44 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0158 (180deg=-0.194) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0188) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 60:sc= 0.00472 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.142 (180deg=-0.758) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.000395 X(o=-0.0004,f=-0.44) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= -3.09 (180deg=-4.32!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 94 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.76) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.518 15.911 1.544 1.00 0.00 N ATOM 78 CA ALA A 9 -7.370 15.092 1.172 1.00 0.00 C ATOM 79 C ALA A 9 -7.321 13.810 1.996 1.00 0.00 C ATOM 80 O ALA A 9 -7.072 12.728 1.463 1.00 0.00 O ATOM 81 CB ALA A 9 -6.081 15.882 1.344 1.00 0.00 C ATOM 0 HA ALA A 9 -7.476 14.815 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.232 15.259 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.109 16.766 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.978 16.188 2.385 1.00 0.00 H new ATOM 87 N ASP A 10 -7.561 13.938 3.296 1.00 0.00 N ATOM 88 CA ASP A 10 -7.545 12.788 4.193 1.00 0.00 C ATOM 89 C ASP A 10 -8.462 11.684 3.678 1.00 0.00 C ATOM 90 O ASP A 10 -8.055 10.528 3.567 1.00 0.00 O ATOM 91 CB ASP A 10 -7.970 13.207 5.601 1.00 0.00 C ATOM 92 CG ASP A 10 -7.498 12.233 6.663 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.179 11.208 6.874 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.446 12.496 7.282 1.00 0.00 O ATOM 0 H ASP A 10 -7.769 14.826 3.752 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.527 12.401 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.571 14.198 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.056 13.285 5.641 1.00 0.00 H new ATOM 99 N GLN A 11 -9.702 12.049 3.367 1.00 0.00 N ATOM 100 CA GLN A 11 -10.677 11.088 2.865 1.00 0.00 C ATOM 101 C GLN A 11 -10.072 10.220 1.768 1.00 0.00 C ATOM 102 O GLN A 11 -9.982 8.999 1.906 1.00 0.00 O ATOM 103 CB GLN A 11 -11.914 11.815 2.334 1.00 0.00 C ATOM 104 CG GLN A 11 -12.985 12.045 3.388 1.00 0.00 C ATOM 105 CD GLN A 11 -13.388 10.768 4.098 1.00 0.00 C ATOM 106 OE1 GLN A 11 -13.033 10.550 5.257 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.135 9.915 3.406 1.00 0.00 N ATOM 0 H GLN A 11 -10.055 13.002 3.454 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.971 10.442 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.610 12.777 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.341 11.237 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.620 12.764 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.863 12.488 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.406 10.136 2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.437 9.039 3.833 1.00 0.00 H new ATOM 116 N ILE A 12 -9.658 10.857 0.677 1.00 0.00 N ATOM 117 CA ILE A 12 -9.061 10.142 -0.444 1.00 0.00 C ATOM 118 C ILE A 12 -8.113 9.051 0.042 1.00 0.00 C ATOM 119 O ILE A 12 -8.239 7.888 -0.343 1.00 0.00 O ATOM 120 CB ILE A 12 -8.291 11.098 -1.375 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.236 12.152 -1.954 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.612 10.317 -2.490 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.519 13.318 -2.598 1.00 0.00 C ATOM 0 H ILE A 12 -9.725 11.866 0.546 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.880 9.687 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.522 11.607 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.883 11.681 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.880 12.527 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.072 11.006 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.913 9.601 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.364 9.784 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.251 14.026 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.893 13.814 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.896 12.955 -3.415 1.00 0.00 H new ATOM 135 N ARG A 13 -7.165 9.433 0.892 1.00 0.00 N ATOM 136 CA ARG A 13 -6.196 8.487 1.432 1.00 0.00 C ATOM 137 C ARG A 13 -6.893 7.394 2.236 1.00 0.00 C ATOM 138 O ARG A 13 -6.616 6.208 2.059 1.00 0.00 O ATOM 139 CB ARG A 13 -5.178 9.213 2.313 1.00 0.00 C ATOM 140 CG ARG A 13 -4.490 10.376 1.617 1.00 0.00 C ATOM 141 CD ARG A 13 -4.017 11.421 2.615 1.00 0.00 C ATOM 142 NE ARG A 13 -3.843 12.732 1.994 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.259 13.760 2.599 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.795 13.630 3.834 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.138 14.921 1.968 1.00 0.00 N ATOM 0 H ARG A 13 -7.048 10.391 1.221 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.675 8.022 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.681 9.582 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.423 8.500 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.639 10.007 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.178 10.835 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.738 11.498 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.073 11.100 3.056 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.189 12.865 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.886 12.739 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.347 14.421 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.494 15.024 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.689 15.710 2.433 1.00 0.00 H new ATOM 159 N GLN A 14 -7.798 7.803 3.120 1.00 0.00 N ATOM 160 CA GLN A 14 -8.534 6.858 3.952 1.00 0.00 C ATOM 161 C GLN A 14 -9.168 5.763 3.102 1.00 0.00 C ATOM 162 O GLN A 14 -8.878 4.579 3.278 1.00 0.00 O ATOM 163 CB GLN A 14 -9.613 7.586 4.755 1.00 0.00 C ATOM 164 CG GLN A 14 -10.019 6.860 6.027 1.00 0.00 C ATOM 165 CD GLN A 14 -10.517 7.803 7.104 1.00 0.00 C ATOM 166 OE1 GLN A 14 -9.960 8.882 7.307 1.00 0.00 O ATOM 167 NE2 GLN A 14 -11.573 7.400 7.802 1.00 0.00 N ATOM 0 H GLN A 14 -8.039 8.781 3.278 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.829 6.394 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.252 8.581 5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.493 7.720 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.800 6.136 5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.166 6.298 6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.004 6.498 7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.953 7.993 8.540 1.00 0.00 H new ATOM 176 N SER A 15 -10.036 6.165 2.179 1.00 0.00 N ATOM 177 CA SER A 15 -10.715 5.217 1.304 1.00 0.00 C ATOM 178 C SER A 15 -9.719 4.244 0.680 1.00 0.00 C ATOM 179 O SER A 15 -9.918 3.029 0.710 1.00 0.00 O ATOM 180 CB SER A 15 -11.476 5.960 0.204 1.00 0.00 C ATOM 181 OG SER A 15 -12.044 5.054 -0.726 1.00 0.00 O ATOM 0 H SER A 15 -10.285 7.141 2.018 1.00 0.00 H new ATOM 0 HA SER A 15 -11.424 4.649 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.263 6.569 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.800 6.641 -0.313 1.00 0.00 H new ATOM 0 HG SER A 15 -12.526 5.554 -1.417 1.00 0.00 H new ATOM 187 N VAL A 16 -8.646 4.787 0.114 1.00 0.00 N ATOM 188 CA VAL A 16 -7.618 3.969 -0.517 1.00 0.00 C ATOM 189 C VAL A 16 -7.283 2.751 0.338 1.00 0.00 C ATOM 190 O VAL A 16 -7.148 1.640 -0.173 1.00 0.00 O ATOM 191 CB VAL A 16 -6.331 4.778 -0.765 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.245 3.887 -1.350 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.613 5.960 -1.680 1.00 0.00 C ATOM 0 H VAL A 16 -8.466 5.790 0.080 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.020 3.638 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.975 5.164 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.343 4.476 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.025 3.077 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.588 3.469 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.693 6.520 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.993 5.598 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.356 6.610 -1.217 1.00 0.00 H new ATOM 203 N ARG A 17 -7.151 2.969 1.642 1.00 0.00 N ATOM 204 CA ARG A 17 -6.832 1.890 2.569 1.00 0.00 C ATOM 205 C ARG A 17 -7.831 0.745 2.435 1.00 0.00 C ATOM 206 O ARG A 17 -7.475 -0.360 2.025 1.00 0.00 O ATOM 207 CB ARG A 17 -6.824 2.410 4.007 1.00 0.00 C ATOM 208 CG ARG A 17 -6.001 3.674 4.194 1.00 0.00 C ATOM 209 CD ARG A 17 -5.741 3.958 5.665 1.00 0.00 C ATOM 210 NE ARG A 17 -6.969 4.278 6.387 1.00 0.00 N ATOM 211 CZ ARG A 17 -7.038 4.387 7.709 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.954 4.203 8.449 1.00 0.00 N ATOM 213 NH2 ARG A 17 -8.192 4.681 8.293 1.00 0.00 N ATOM 0 H ARG A 17 -7.260 3.883 2.081 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.840 1.513 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.850 2.605 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.434 1.632 4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.051 3.572 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.524 4.519 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.267 3.090 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.041 4.788 5.755 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.821 4.426 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.065 3.977 8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.009 4.287 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.028 4.824 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.243 4.764 9.308 1.00 0.00 H new ATOM 227 N HIS A 18 -9.085 1.017 2.785 1.00 0.00 N ATOM 228 CA HIS A 18 -10.137 0.010 2.704 1.00 0.00 C ATOM 229 C HIS A 18 -10.174 -0.627 1.318 1.00 0.00 C ATOM 230 O HIS A 18 -10.030 -1.841 1.178 1.00 0.00 O ATOM 231 CB HIS A 18 -11.495 0.633 3.029 1.00 0.00 C ATOM 232 CG HIS A 18 -12.556 -0.375 3.346 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.893 -0.168 3.083 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.470 -1.605 3.906 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.585 -1.225 3.469 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.745 -2.112 3.971 1.00 0.00 N ATOM 0 H HIS A 18 -9.397 1.926 3.127 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.919 -0.768 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.382 1.308 3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.821 1.237 2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.567 -2.096 4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.655 -1.344 3.388 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.001 -3.025 4.346 1.00 0.00 H new ATOM 245 N SER A 19 -10.370 0.202 0.297 1.00 0.00 N ATOM 246 CA SER A 19 -10.432 -0.281 -1.077 1.00 0.00 C ATOM 247 C SER A 19 -9.395 -1.375 -1.316 1.00 0.00 C ATOM 248 O SER A 19 -9.722 -2.465 -1.787 1.00 0.00 O ATOM 249 CB SER A 19 -10.206 0.873 -2.056 1.00 0.00 C ATOM 250 OG SER A 19 -11.360 1.690 -2.156 1.00 0.00 O ATOM 0 H SER A 19 -10.488 1.210 0.396 1.00 0.00 H new ATOM 0 HA SER A 19 -11.424 -0.701 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.359 1.474 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.951 0.476 -3.039 1.00 0.00 H new ATOM 0 HG SER A 19 -11.190 2.421 -2.786 1.00 0.00 H new ATOM 256 N LEU A 20 -8.143 -1.076 -0.988 1.00 0.00 N ATOM 257 CA LEU A 20 -7.056 -2.033 -1.166 1.00 0.00 C ATOM 258 C LEU A 20 -7.307 -3.298 -0.352 1.00 0.00 C ATOM 259 O LEU A 20 -7.484 -4.382 -0.908 1.00 0.00 O ATOM 260 CB LEU A 20 -5.724 -1.404 -0.755 1.00 0.00 C ATOM 261 CG LEU A 20 -5.218 -0.265 -1.641 1.00 0.00 C ATOM 262 CD1 LEU A 20 -4.154 0.544 -0.915 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.673 -0.811 -2.952 1.00 0.00 C ATOM 0 H LEU A 20 -7.855 -0.179 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.012 -2.304 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.821 -1.029 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.966 -2.187 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.056 0.395 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.806 1.350 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.577 0.967 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.316 -0.104 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.317 0.014 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.848 -1.493 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.463 -1.345 -3.480 1.00 0.00 H new ATOM 275 N LYS A 21 -7.321 -3.153 0.968 1.00 0.00 N ATOM 276 CA LYS A 21 -7.554 -4.283 1.860 1.00 0.00 C ATOM 277 C LYS A 21 -8.669 -5.176 1.328 1.00 0.00 C ATOM 278 O LYS A 21 -8.617 -6.399 1.463 1.00 0.00 O ATOM 279 CB LYS A 21 -7.909 -3.787 3.264 1.00 0.00 C ATOM 280 CG LYS A 21 -7.839 -4.869 4.327 1.00 0.00 C ATOM 281 CD LYS A 21 -7.858 -4.278 5.727 1.00 0.00 C ATOM 282 CE LYS A 21 -9.257 -3.832 6.125 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.242 -2.990 7.353 1.00 0.00 N ATOM 0 H LYS A 21 -7.174 -2.263 1.445 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.636 -4.869 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.232 -2.978 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.916 -3.369 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.680 -5.552 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.930 -5.456 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.494 -5.018 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.177 -3.428 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.706 -3.271 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.884 -4.708 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.214 -2.706 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.837 -3.533 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.665 -2.141 7.185 1.00 0.00 H new ATOM 297 N ASP A 22 -9.676 -4.559 0.720 1.00 0.00 N ATOM 298 CA ASP A 22 -10.804 -5.298 0.165 1.00 0.00 C ATOM 299 C ASP A 22 -10.327 -6.335 -0.848 1.00 0.00 C ATOM 300 O ASP A 22 -10.675 -7.513 -0.755 1.00 0.00 O ATOM 301 CB ASP A 22 -11.794 -4.339 -0.497 1.00 0.00 C ATOM 302 CG ASP A 22 -13.204 -4.897 -0.534 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.835 -4.988 0.540 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.676 -5.241 -1.637 1.00 0.00 O ATOM 0 H ASP A 22 -9.734 -3.548 0.599 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.305 -5.817 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.795 -3.392 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.464 -4.125 -1.514 1.00 0.00 H new ATOM 309 N ILE A 23 -9.531 -5.890 -1.813 1.00 0.00 N ATOM 310 CA ILE A 23 -9.007 -6.779 -2.842 1.00 0.00 C ATOM 311 C ILE A 23 -8.144 -7.878 -2.232 1.00 0.00 C ATOM 312 O ILE A 23 -8.435 -9.066 -2.379 1.00 0.00 O ATOM 313 CB ILE A 23 -8.175 -6.008 -3.883 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.093 -5.212 -4.814 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.305 -6.966 -4.682 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.360 -4.528 -5.946 1.00 0.00 C ATOM 0 H ILE A 23 -9.234 -4.918 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.868 -7.228 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.524 -5.308 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.844 -5.883 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.626 -4.461 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.723 -6.405 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.630 -7.493 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.938 -7.688 -5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.073 -3.983 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.628 -3.831 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.850 -5.276 -6.553 1.00 0.00 H new ATOM 328 N LEU A 24 -7.082 -7.475 -1.544 1.00 0.00 N ATOM 329 CA LEU A 24 -6.176 -8.425 -0.908 1.00 0.00 C ATOM 330 C LEU A 24 -6.926 -9.320 0.074 1.00 0.00 C ATOM 331 O LEU A 24 -6.394 -10.325 0.544 1.00 0.00 O ATOM 332 CB LEU A 24 -5.053 -7.682 -0.182 1.00 0.00 C ATOM 333 CG LEU A 24 -4.256 -6.684 -1.023 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.395 -5.803 -0.131 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.396 -7.414 -2.044 1.00 0.00 C ATOM 0 H LEU A 24 -6.827 -6.496 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.744 -9.053 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.485 -7.149 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.360 -8.419 0.225 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.959 -6.047 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.835 -5.099 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.032 -5.253 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.700 -6.425 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.836 -6.688 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.701 -8.076 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.034 -8.002 -2.704 1.00 0.00 H new ATOM 347 N MET A 25 -8.166 -8.948 0.376 1.00 0.00 N ATOM 348 CA MET A 25 -8.991 -9.719 1.299 1.00 0.00 C ATOM 349 C MET A 25 -9.812 -10.764 0.551 1.00 0.00 C ATOM 350 O MET A 25 -9.806 -11.944 0.904 1.00 0.00 O ATOM 351 CB MET A 25 -9.919 -8.791 2.084 1.00 0.00 C ATOM 352 CG MET A 25 -9.303 -8.260 3.368 1.00 0.00 C ATOM 353 SD MET A 25 -9.627 -9.325 4.787 1.00 0.00 S ATOM 354 CE MET A 25 -7.984 -9.464 5.487 1.00 0.00 C ATOM 0 H MET A 25 -8.621 -8.118 -0.005 1.00 0.00 H new ATOM 0 HA MET A 25 -8.329 -10.233 1.996 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.199 -7.950 1.450 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.837 -9.328 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.226 -8.157 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.696 -7.263 3.570 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.965 -10.277 6.212 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.266 -9.669 4.693 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.719 -8.530 5.982 1.00 0.00 H new ATOM 364 N LYS A 26 -10.519 -10.325 -0.485 1.00 0.00 N ATOM 365 CA LYS A 26 -11.345 -11.222 -1.285 1.00 0.00 C ATOM 366 C LYS A 26 -10.479 -12.160 -2.119 1.00 0.00 C ATOM 367 O LYS A 26 -10.951 -13.188 -2.605 1.00 0.00 O ATOM 368 CB LYS A 26 -12.270 -10.416 -2.200 1.00 0.00 C ATOM 369 CG LYS A 26 -11.551 -9.760 -3.366 1.00 0.00 C ATOM 370 CD LYS A 26 -11.499 -10.676 -4.576 1.00 0.00 C ATOM 371 CE LYS A 26 -12.716 -10.490 -5.469 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.469 -10.981 -6.853 1.00 0.00 N ATOM 0 H LYS A 26 -10.536 -9.352 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.949 -11.823 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.048 -11.074 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.768 -9.646 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.058 -8.833 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.537 -9.494 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.593 -10.474 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.444 -11.713 -4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.565 -11.023 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.985 -9.434 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.322 -10.836 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.675 -10.456 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.237 -11.994 -6.826 1.00 0.00 H new ATOM 386 N ARG A 27 -9.209 -11.801 -2.278 1.00 0.00 N ATOM 387 CA ARG A 27 -8.277 -12.612 -3.053 1.00 0.00 C ATOM 388 C ARG A 27 -7.595 -13.651 -2.168 1.00 0.00 C ATOM 389 O ARG A 27 -7.661 -14.851 -2.438 1.00 0.00 O ATOM 390 CB ARG A 27 -7.225 -11.723 -3.718 1.00 0.00 C ATOM 391 CG ARG A 27 -7.812 -10.692 -4.668 1.00 0.00 C ATOM 392 CD ARG A 27 -8.188 -11.315 -6.003 1.00 0.00 C ATOM 393 NE ARG A 27 -7.025 -11.503 -6.866 1.00 0.00 N ATOM 394 CZ ARG A 27 -7.105 -11.916 -8.127 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.286 -12.181 -8.668 1.00 0.00 N ATOM 396 NH2 ARG A 27 -6.001 -12.063 -8.849 1.00 0.00 N ATOM 0 H ARG A 27 -8.802 -10.954 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.843 -13.133 -3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.655 -11.209 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.524 -12.352 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.694 -10.239 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.090 -9.892 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.671 -12.277 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.915 -10.679 -6.508 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.101 -11.307 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.137 -12.068 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.344 -12.498 -9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.091 -11.859 -8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.063 -12.380 -9.817 1.00 0.00 H new ATOM 410 N LEU A 28 -6.940 -13.183 -1.112 1.00 0.00 N ATOM 411 CA LEU A 28 -6.244 -14.071 -0.187 1.00 0.00 C ATOM 412 C LEU A 28 -7.203 -15.098 0.406 1.00 0.00 C ATOM 413 O LEU A 28 -6.866 -16.275 0.539 1.00 0.00 O ATOM 414 CB LEU A 28 -5.589 -13.261 0.933 1.00 0.00 C ATOM 415 CG LEU A 28 -6.455 -12.997 2.165 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.591 -14.259 3.003 1.00 0.00 C ATOM 417 CD2 LEU A 28 -5.870 -11.863 2.995 1.00 0.00 C ATOM 0 H LEU A 28 -6.876 -12.193 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.471 -14.601 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.687 -13.784 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.273 -12.302 0.523 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.449 -12.700 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.211 -14.051 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.056 -15.044 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.604 -14.587 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.499 -11.689 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.865 -12.131 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.827 -10.956 2.392 1.00 0.00 H new ATOM 429 N THR A 29 -8.402 -14.646 0.761 1.00 0.00 N ATOM 430 CA THR A 29 -9.411 -15.525 1.339 1.00 0.00 C ATOM 431 C THR A 29 -9.739 -16.678 0.398 1.00 0.00 C ATOM 432 O THR A 29 -10.111 -17.765 0.839 1.00 0.00 O ATOM 433 CB THR A 29 -10.706 -14.757 1.663 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.472 -15.477 2.635 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.539 -14.545 0.408 1.00 0.00 C ATOM 0 H THR A 29 -8.698 -13.675 0.658 1.00 0.00 H new ATOM 0 HA THR A 29 -8.992 -15.922 2.264 1.00 0.00 H new ATOM 0 HB THR A 29 -10.433 -13.782 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.293 -14.981 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.448 -14.001 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.963 -13.971 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.803 -15.512 -0.021 1.00 0.00 H new ATOM 443 N ASP A 30 -9.599 -16.434 -0.901 1.00 0.00 N ATOM 444 CA ASP A 30 -9.880 -17.454 -1.905 1.00 0.00 C ATOM 445 C ASP A 30 -8.604 -18.190 -2.303 1.00 0.00 C ATOM 446 O ASP A 30 -8.654 -19.218 -2.979 1.00 0.00 O ATOM 447 CB ASP A 30 -10.524 -16.820 -3.139 1.00 0.00 C ATOM 448 CG ASP A 30 -10.505 -17.745 -4.341 1.00 0.00 C ATOM 449 OD1 ASP A 30 -10.844 -18.935 -4.179 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.149 -17.278 -5.443 1.00 0.00 O ATOM 0 H ASP A 30 -9.293 -15.539 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.574 -18.175 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.554 -16.549 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.999 -15.897 -3.386 1.00 0.00 H new ATOM 455 N SER A 31 -7.463 -17.657 -1.880 1.00 0.00 N ATOM 456 CA SER A 31 -6.174 -18.260 -2.196 1.00 0.00 C ATOM 457 C SER A 31 -5.682 -19.127 -1.041 1.00 0.00 C ATOM 458 O SER A 31 -4.484 -19.370 -0.900 1.00 0.00 O ATOM 459 CB SER A 31 -5.142 -17.175 -2.510 1.00 0.00 C ATOM 460 OG SER A 31 -5.511 -16.439 -3.663 1.00 0.00 O ATOM 0 H SER A 31 -7.405 -16.808 -1.317 1.00 0.00 H new ATOM 0 HA SER A 31 -6.303 -18.893 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.048 -16.501 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.164 -17.632 -2.664 1.00 0.00 H new ATOM 0 HG SER A 31 -4.861 -15.721 -3.815 1.00 0.00 H new ATOM 466 N ASN A 32 -6.616 -19.589 -0.216 1.00 0.00 N ATOM 467 CA ASN A 32 -6.279 -20.428 0.928 1.00 0.00 C ATOM 468 C ASN A 32 -5.081 -19.862 1.684 1.00 0.00 C ATOM 469 O ASN A 32 -4.343 -20.597 2.341 1.00 0.00 O ATOM 470 CB ASN A 32 -5.976 -21.856 0.468 1.00 0.00 C ATOM 471 CG ASN A 32 -7.219 -22.588 0.000 1.00 0.00 C ATOM 472 OD1 ASN A 32 -7.464 -22.714 -1.200 1.00 0.00 O ATOM 473 ND2 ASN A 32 -8.011 -23.075 0.948 1.00 0.00 N ATOM 0 H ASN A 32 -7.612 -19.396 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.137 -20.443 1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.248 -21.827 -0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.518 -22.410 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.862 -23.577 0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.769 -22.947 1.931 1.00 0.00 H new ATOM 480 N LEU A 33 -4.894 -18.550 1.587 1.00 0.00 N ATOM 481 CA LEU A 33 -3.786 -17.883 2.262 1.00 0.00 C ATOM 482 C LEU A 33 -4.010 -17.847 3.770 1.00 0.00 C ATOM 483 O LEU A 33 -4.961 -17.232 4.254 1.00 0.00 O ATOM 484 CB LEU A 33 -3.619 -16.460 1.726 1.00 0.00 C ATOM 485 CG LEU A 33 -2.700 -16.303 0.514 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.659 -14.853 0.059 1.00 0.00 C ATOM 487 CD2 LEU A 33 -1.299 -16.802 0.838 1.00 0.00 C ATOM 0 H LEU A 33 -5.495 -17.927 1.048 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.877 -18.449 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.604 -16.075 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.236 -15.833 2.531 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.100 -16.907 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.000 -14.761 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.663 -14.529 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.284 -14.228 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.659 -16.682 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.891 -16.226 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.343 -17.856 1.114 1.00 0.00 H new ATOM 499 N LYS A 34 -3.127 -18.509 4.510 1.00 0.00 N ATOM 500 CA LYS A 34 -3.224 -18.550 5.964 1.00 0.00 C ATOM 501 C LYS A 34 -2.572 -17.321 6.589 1.00 0.00 C ATOM 502 O LYS A 34 -1.933 -17.411 7.637 1.00 0.00 O ATOM 503 CB LYS A 34 -2.564 -19.821 6.504 1.00 0.00 C ATOM 504 CG LYS A 34 -3.454 -21.050 6.426 1.00 0.00 C ATOM 505 CD LYS A 34 -2.651 -22.331 6.578 1.00 0.00 C ATOM 506 CE LYS A 34 -2.417 -22.670 8.042 1.00 0.00 C ATOM 507 NZ LYS A 34 -3.665 -23.129 8.712 1.00 0.00 N ATOM 0 H LYS A 34 -2.335 -19.025 4.126 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.281 -18.554 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.648 -20.010 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.275 -19.657 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.213 -21.001 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.979 -21.060 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.178 -23.152 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.692 -22.224 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.657 -23.448 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.028 -21.793 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.423 -23.631 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.261 -22.307 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.183 -23.771 8.079 1.00 0.00 H new ATOM 521 N VAL A 35 -2.739 -16.174 5.940 1.00 0.00 N ATOM 522 CA VAL A 35 -2.169 -14.926 6.433 1.00 0.00 C ATOM 523 C VAL A 35 -3.143 -14.204 7.358 1.00 0.00 C ATOM 524 O VAL A 35 -4.362 -14.280 7.198 1.00 0.00 O ATOM 525 CB VAL A 35 -1.787 -13.986 5.274 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.050 -14.752 4.186 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.025 -13.304 4.712 1.00 0.00 C ATOM 0 H VAL A 35 -3.265 -16.083 5.071 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.269 -15.188 6.990 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.119 -13.216 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.788 -14.072 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.142 -15.189 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.691 -15.545 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.737 -12.644 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.720 -14.058 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.507 -12.721 5.497 1.00 0.00 H new ATOM 537 N PRO A 36 -2.596 -13.485 8.349 1.00 0.00 N ATOM 538 CA PRO A 36 -3.398 -12.735 9.319 1.00 0.00 C ATOM 539 C PRO A 36 -4.086 -11.527 8.691 1.00 0.00 C ATOM 540 O PRO A 36 -3.486 -10.803 7.898 1.00 0.00 O ATOM 541 CB PRO A 36 -2.369 -12.284 10.358 1.00 0.00 C ATOM 542 CG PRO A 36 -1.076 -12.248 9.619 1.00 0.00 C ATOM 543 CD PRO A 36 -1.151 -13.350 8.599 1.00 0.00 C ATOM 0 HA PRO A 36 -4.205 -13.339 9.734 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.620 -11.304 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.325 -12.976 11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.928 -11.281 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.235 -12.399 10.296 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.608 -13.093 7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.720 -14.277 8.977 1.00 0.00 H new ATOM 551 N GLU A 37 -5.348 -11.316 9.053 1.00 0.00 N ATOM 552 CA GLU A 37 -6.116 -10.196 8.523 1.00 0.00 C ATOM 553 C GLU A 37 -5.284 -8.917 8.524 1.00 0.00 C ATOM 554 O GLU A 37 -5.449 -8.057 7.659 1.00 0.00 O ATOM 555 CB GLU A 37 -7.390 -9.988 9.346 1.00 0.00 C ATOM 556 CG GLU A 37 -8.212 -8.789 8.903 1.00 0.00 C ATOM 557 CD GLU A 37 -9.636 -8.835 9.420 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.243 -9.927 9.393 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.145 -7.780 9.852 1.00 0.00 O ATOM 0 H GLU A 37 -5.859 -11.905 9.710 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.390 -10.431 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.006 -10.885 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.119 -9.865 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.732 -7.875 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.226 -8.745 7.814 1.00 0.00 H new ATOM 566 N GLU A 38 -4.389 -8.800 9.500 1.00 0.00 N ATOM 567 CA GLU A 38 -3.532 -7.626 9.614 1.00 0.00 C ATOM 568 C GLU A 38 -2.588 -7.524 8.419 1.00 0.00 C ATOM 569 O GLU A 38 -2.339 -6.435 7.901 1.00 0.00 O ATOM 570 CB GLU A 38 -2.725 -7.680 10.912 1.00 0.00 C ATOM 571 CG GLU A 38 -1.527 -8.612 10.846 1.00 0.00 C ATOM 572 CD GLU A 38 -0.999 -8.982 12.218 1.00 0.00 C ATOM 573 OE1 GLU A 38 -1.499 -9.967 12.801 1.00 0.00 O ATOM 574 OE2 GLU A 38 -0.086 -8.286 12.709 1.00 0.00 O ATOM 0 H GLU A 38 -4.239 -9.504 10.223 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.170 -6.742 9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.380 -6.676 11.157 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.379 -8.000 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.807 -9.520 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.732 -8.136 10.271 1.00 0.00 H new ATOM 581 N LYS A 39 -2.066 -8.666 7.986 1.00 0.00 N ATOM 582 CA LYS A 39 -1.150 -8.708 6.853 1.00 0.00 C ATOM 583 C LYS A 39 -1.619 -7.776 5.739 1.00 0.00 C ATOM 584 O LYS A 39 -0.969 -6.775 5.441 1.00 0.00 O ATOM 585 CB LYS A 39 -1.031 -10.138 6.319 1.00 0.00 C ATOM 586 CG LYS A 39 -0.347 -10.227 4.966 1.00 0.00 C ATOM 587 CD LYS A 39 1.163 -10.106 5.095 1.00 0.00 C ATOM 588 CE LYS A 39 1.616 -8.657 4.999 1.00 0.00 C ATOM 589 NZ LYS A 39 2.883 -8.422 5.745 1.00 0.00 N ATOM 0 H LYS A 39 -2.262 -9.576 8.403 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.172 -8.372 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.475 -10.740 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.028 -10.572 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.598 -11.176 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.722 -9.437 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.483 -10.526 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.644 -10.692 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.756 -8.389 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.836 -8.006 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.158 -7.423 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.743 -8.654 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.634 -9.025 5.352 1.00 0.00 H new ATOM 603 N ALA A 40 -2.751 -8.113 5.130 1.00 0.00 N ATOM 604 CA ALA A 40 -3.308 -7.305 4.052 1.00 0.00 C ATOM 605 C ALA A 40 -3.430 -5.843 4.470 1.00 0.00 C ATOM 606 O ALA A 40 -2.956 -4.947 3.772 1.00 0.00 O ATOM 607 CB ALA A 40 -4.664 -7.850 3.630 1.00 0.00 C ATOM 0 H ALA A 40 -3.300 -8.940 5.365 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.628 -7.358 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.068 -7.237 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.551 -8.877 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.346 -7.827 4.480 1.00 0.00 H new ATOM 613 N ALA A 41 -4.070 -5.610 5.611 1.00 0.00 N ATOM 614 CA ALA A 41 -4.253 -4.257 6.121 1.00 0.00 C ATOM 615 C ALA A 41 -2.940 -3.482 6.107 1.00 0.00 C ATOM 616 O ALA A 41 -2.779 -2.527 5.348 1.00 0.00 O ATOM 617 CB ALA A 41 -4.829 -4.298 7.529 1.00 0.00 C ATOM 0 H ALA A 41 -4.470 -6.341 6.200 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.956 -3.741 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.961 -3.281 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.793 -4.806 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.146 -4.837 8.186 1.00 0.00 H new ATOM 623 N LYS A 42 -2.003 -3.899 6.951 1.00 0.00 N ATOM 624 CA LYS A 42 -0.703 -3.245 7.036 1.00 0.00 C ATOM 625 C LYS A 42 -0.215 -2.823 5.654 1.00 0.00 C ATOM 626 O LYS A 42 0.048 -1.646 5.410 1.00 0.00 O ATOM 627 CB LYS A 42 0.320 -4.180 7.686 1.00 0.00 C ATOM 628 CG LYS A 42 -0.015 -4.545 9.122 1.00 0.00 C ATOM 629 CD LYS A 42 0.853 -5.685 9.626 1.00 0.00 C ATOM 630 CE LYS A 42 2.191 -5.179 10.145 1.00 0.00 C ATOM 631 NZ LYS A 42 3.025 -6.283 10.697 1.00 0.00 N ATOM 0 H LYS A 42 -2.120 -4.688 7.587 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.813 -2.352 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.392 -5.093 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.301 -3.706 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.122 -3.673 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.065 -4.829 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.331 -6.217 10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.021 -6.400 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.731 -4.685 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.021 -4.430 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.928 -5.898 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.521 -6.738 11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.209 -6.985 9.952 1.00 0.00 H new ATOM 645 N VAL A 43 -0.097 -3.792 4.752 1.00 0.00 N ATOM 646 CA VAL A 43 0.357 -3.521 3.393 1.00 0.00 C ATOM 647 C VAL A 43 -0.397 -2.342 2.787 1.00 0.00 C ATOM 648 O VAL A 43 0.210 -1.392 2.292 1.00 0.00 O ATOM 649 CB VAL A 43 0.178 -4.752 2.485 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.643 -4.443 1.070 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.929 -5.946 3.053 1.00 0.00 C ATOM 0 H VAL A 43 -0.310 -4.772 4.938 1.00 0.00 H new ATOM 0 HA VAL A 43 1.417 -3.277 3.456 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.882 -5.003 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.509 -5.324 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.057 -3.618 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.697 -4.166 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.792 -6.807 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.991 -5.709 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.544 -6.179 4.046 1.00 0.00 H new ATOM 661 N ALA A 44 -1.723 -2.410 2.831 1.00 0.00 N ATOM 662 CA ALA A 44 -2.561 -1.347 2.289 1.00 0.00 C ATOM 663 C ALA A 44 -2.225 -0.004 2.927 1.00 0.00 C ATOM 664 O ALA A 44 -1.726 0.905 2.262 1.00 0.00 O ATOM 665 CB ALA A 44 -4.032 -1.678 2.493 1.00 0.00 C ATOM 0 H ALA A 44 -2.241 -3.190 3.236 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.362 -1.271 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.646 -0.876 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.269 -2.612 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.237 -1.784 3.558 1.00 0.00 H new ATOM 671 N THR A 45 -2.502 0.117 4.222 1.00 0.00 N ATOM 672 CA THR A 45 -2.231 1.350 4.950 1.00 0.00 C ATOM 673 C THR A 45 -0.870 1.924 4.572 1.00 0.00 C ATOM 674 O THR A 45 -0.682 3.140 4.549 1.00 0.00 O ATOM 675 CB THR A 45 -2.275 1.124 6.473 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.562 0.630 6.858 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.977 2.415 7.221 1.00 0.00 C ATOM 0 H THR A 45 -2.914 -0.625 4.788 1.00 0.00 H new ATOM 0 HA THR A 45 -3.011 2.059 4.672 1.00 0.00 H new ATOM 0 HB THR A 45 -1.512 0.389 6.731 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.581 0.487 7.827 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.014 2.230 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.984 2.773 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.719 3.168 6.957 1.00 0.00 H new ATOM 685 N LYS A 46 0.078 1.041 4.276 1.00 0.00 N ATOM 686 CA LYS A 46 1.422 1.459 3.897 1.00 0.00 C ATOM 687 C LYS A 46 1.426 2.083 2.505 1.00 0.00 C ATOM 688 O LYS A 46 1.984 3.161 2.299 1.00 0.00 O ATOM 689 CB LYS A 46 2.380 0.266 3.935 1.00 0.00 C ATOM 690 CG LYS A 46 2.579 -0.310 5.326 1.00 0.00 C ATOM 691 CD LYS A 46 3.733 0.365 6.049 1.00 0.00 C ATOM 692 CE LYS A 46 3.541 0.332 7.558 1.00 0.00 C ATOM 693 NZ LYS A 46 2.538 1.334 8.012 1.00 0.00 N ATOM 0 H LYS A 46 -0.060 0.031 4.291 1.00 0.00 H new ATOM 0 HA LYS A 46 1.757 2.209 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.999 -0.516 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.347 0.574 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.664 -0.188 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.770 -1.381 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.667 -0.132 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.818 1.399 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.221 -0.665 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.495 0.524 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.522 1.363 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.793 2.272 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.597 1.068 7.659 1.00 0.00 H new ATOM 707 N ILE A 47 0.799 1.399 1.554 1.00 0.00 N ATOM 708 CA ILE A 47 0.728 1.888 0.182 1.00 0.00 C ATOM 709 C ILE A 47 0.573 3.404 0.147 1.00 0.00 C ATOM 710 O ILE A 47 1.284 4.093 -0.585 1.00 0.00 O ATOM 711 CB ILE A 47 -0.444 1.246 -0.584 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.266 -0.273 -0.652 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.548 1.835 -1.983 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.158 -0.703 -0.926 1.00 0.00 C ATOM 0 H ILE A 47 0.333 0.505 1.708 1.00 0.00 H new ATOM 0 HA ILE A 47 1.664 1.609 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.370 1.461 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.594 -0.712 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.914 -0.672 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.381 1.371 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.715 2.910 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.378 1.646 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.209 -1.791 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.484 -0.294 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.808 -0.334 -0.133 1.00 0.00 H new ATOM 726 N GLU A 48 -0.359 3.918 0.944 1.00 0.00 N ATOM 727 CA GLU A 48 -0.606 5.354 1.003 1.00 0.00 C ATOM 728 C GLU A 48 0.583 6.085 1.621 1.00 0.00 C ATOM 729 O GLU A 48 1.027 7.113 1.111 1.00 0.00 O ATOM 730 CB GLU A 48 -1.872 5.643 1.812 1.00 0.00 C ATOM 731 CG GLU A 48 -3.122 4.999 1.237 1.00 0.00 C ATOM 732 CD GLU A 48 -3.150 3.496 1.439 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.130 3.055 2.607 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.190 2.762 0.430 1.00 0.00 O ATOM 0 H GLU A 48 -0.955 3.362 1.557 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.744 5.716 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.729 5.290 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.021 6.721 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.002 5.441 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.183 5.220 0.171 1.00 0.00 H new ATOM 741 N LYS A 49 1.094 5.546 2.723 1.00 0.00 N ATOM 742 CA LYS A 49 2.231 6.144 3.411 1.00 0.00 C ATOM 743 C LYS A 49 3.406 6.335 2.457 1.00 0.00 C ATOM 744 O LYS A 49 4.232 7.227 2.647 1.00 0.00 O ATOM 745 CB LYS A 49 2.657 5.269 4.592 1.00 0.00 C ATOM 746 CG LYS A 49 3.415 6.027 5.669 1.00 0.00 C ATOM 747 CD LYS A 49 3.249 5.375 7.031 1.00 0.00 C ATOM 748 CE LYS A 49 3.346 6.397 8.154 1.00 0.00 C ATOM 749 NZ LYS A 49 4.737 6.899 8.327 1.00 0.00 N ATOM 0 H LYS A 49 0.738 4.695 3.159 1.00 0.00 H new ATOM 0 HA LYS A 49 1.925 7.122 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.771 4.815 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.282 4.456 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.473 6.067 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.058 7.056 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.284 4.871 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.015 4.611 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.681 7.234 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.004 5.947 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.762 7.593 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.367 6.104 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.055 7.351 7.446 1.00 0.00 H new ATOM 763 N GLU A 50 3.472 5.492 1.431 1.00 0.00 N ATOM 764 CA GLU A 50 4.546 5.570 0.448 1.00 0.00 C ATOM 765 C GLU A 50 4.130 6.426 -0.745 1.00 0.00 C ATOM 766 O GLU A 50 4.919 7.222 -1.257 1.00 0.00 O ATOM 767 CB GLU A 50 4.935 4.168 -0.028 1.00 0.00 C ATOM 768 CG GLU A 50 4.843 3.110 1.059 1.00 0.00 C ATOM 769 CD GLU A 50 5.301 3.621 2.411 1.00 0.00 C ATOM 770 OE1 GLU A 50 6.144 4.542 2.442 1.00 0.00 O ATOM 771 OE2 GLU A 50 4.818 3.101 3.438 1.00 0.00 O ATOM 0 H GLU A 50 2.795 4.748 1.259 1.00 0.00 H new ATOM 0 HA GLU A 50 5.408 6.036 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.288 3.882 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.954 4.194 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.813 2.762 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.449 2.250 0.776 1.00 0.00 H new ATOM 778 N LEU A 51 2.888 6.257 -1.183 1.00 0.00 N ATOM 779 CA LEU A 51 2.366 7.013 -2.316 1.00 0.00 C ATOM 780 C LEU A 51 2.266 8.498 -1.980 1.00 0.00 C ATOM 781 O LEU A 51 2.982 9.323 -2.548 1.00 0.00 O ATOM 782 CB LEU A 51 0.992 6.478 -2.722 1.00 0.00 C ATOM 783 CG LEU A 51 0.633 6.605 -4.203 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.415 5.596 -5.030 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.863 6.419 -4.408 1.00 0.00 C ATOM 0 H LEU A 51 2.223 5.603 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 51 3.057 6.893 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.938 5.425 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.234 7.001 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 51 0.903 7.607 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.147 5.701 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.483 5.776 -4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.176 4.587 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.099 6.513 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.158 5.430 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.405 7.180 -3.847 1.00 0.00 H new ATOM 797 N PHE A 52 1.376 8.831 -1.051 1.00 0.00 N ATOM 798 CA PHE A 52 1.184 10.216 -0.638 1.00 0.00 C ATOM 799 C PHE A 52 2.525 10.908 -0.415 1.00 0.00 C ATOM 800 O PHE A 52 2.641 12.124 -0.566 1.00 0.00 O ATOM 801 CB PHE A 52 0.346 10.278 0.640 1.00 0.00 C ATOM 802 CG PHE A 52 0.046 11.678 1.093 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.588 12.573 0.247 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.397 12.099 2.366 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.866 13.863 0.661 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.121 13.387 2.785 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.510 14.270 1.931 1.00 0.00 C ATOM 0 H PHE A 52 0.776 8.161 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 52 0.655 10.737 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.593 9.749 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.873 9.752 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.869 12.260 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.892 11.413 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.361 14.551 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.399 13.703 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.725 15.277 2.256 1.00 0.00 H new ATOM 817 N SER A 53 3.536 10.124 -0.053 1.00 0.00 N ATOM 818 CA SER A 53 4.868 10.661 0.197 1.00 0.00 C ATOM 819 C SER A 53 5.604 10.920 -1.115 1.00 0.00 C ATOM 820 O SER A 53 5.872 12.067 -1.473 1.00 0.00 O ATOM 821 CB SER A 53 5.676 9.695 1.065 1.00 0.00 C ATOM 822 OG SER A 53 6.896 10.283 1.483 1.00 0.00 O ATOM 0 H SER A 53 3.458 9.115 0.074 1.00 0.00 H new ATOM 0 HA SER A 53 4.758 11.608 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.089 9.408 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.882 8.783 0.505 1.00 0.00 H new ATOM 0 HG SER A 53 7.393 9.646 2.038 1.00 0.00 H new ATOM 828 N PHE A 54 5.926 9.845 -1.827 1.00 0.00 N ATOM 829 CA PHE A 54 6.632 9.955 -3.099 1.00 0.00 C ATOM 830 C PHE A 54 6.036 11.067 -3.957 1.00 0.00 C ATOM 831 O PHE A 54 6.756 11.778 -4.659 1.00 0.00 O ATOM 832 CB PHE A 54 6.573 8.625 -3.854 1.00 0.00 C ATOM 833 CG PHE A 54 7.289 8.654 -5.174 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.667 8.796 -5.228 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.585 8.539 -6.362 1.00 0.00 C ATOM 836 CE1 PHE A 54 9.327 8.824 -6.441 1.00 0.00 C ATOM 837 CE2 PHE A 54 7.240 8.566 -7.579 1.00 0.00 C ATOM 838 CZ PHE A 54 8.614 8.707 -7.618 1.00 0.00 C ATOM 0 H PHE A 54 5.710 8.889 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 54 7.673 10.201 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.007 7.843 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.530 8.357 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.231 8.886 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.511 8.427 -6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.401 8.937 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.679 8.477 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.129 8.726 -8.567 1.00 0.00 H new ATOM 848 N PHE A 55 4.717 11.211 -3.896 1.00 0.00 N ATOM 849 CA PHE A 55 4.023 12.235 -4.668 1.00 0.00 C ATOM 850 C PHE A 55 3.923 13.537 -3.879 1.00 0.00 C ATOM 851 O PHE A 55 4.037 14.627 -4.442 1.00 0.00 O ATOM 852 CB PHE A 55 2.624 11.752 -5.055 1.00 0.00 C ATOM 853 CG PHE A 55 2.605 10.897 -6.290 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.605 11.475 -7.549 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.586 9.515 -6.191 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.588 10.691 -8.687 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.569 8.726 -7.326 1.00 0.00 C ATOM 858 CZ PHE A 55 2.569 9.315 -8.575 1.00 0.00 C ATOM 0 H PHE A 55 4.107 10.631 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 55 4.599 12.423 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.201 11.186 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.980 12.617 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.618 12.551 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.584 9.049 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.590 11.154 -9.663 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.556 7.650 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.554 8.700 -9.463 1.00 0.00 H new ATOM 868 N ARG A 56 3.710 13.416 -2.573 1.00 0.00 N ATOM 869 CA ARG A 56 3.593 14.582 -1.706 1.00 0.00 C ATOM 870 C ARG A 56 2.418 15.459 -2.129 1.00 0.00 C ATOM 871 O ARG A 56 2.410 16.665 -1.883 1.00 0.00 O ATOM 872 CB ARG A 56 4.888 15.397 -1.735 1.00 0.00 C ATOM 873 CG ARG A 56 5.024 16.365 -0.571 1.00 0.00 C ATOM 874 CD ARG A 56 6.168 17.342 -0.790 1.00 0.00 C ATOM 875 NE ARG A 56 5.740 18.529 -1.527 1.00 0.00 N ATOM 876 CZ ARG A 56 6.571 19.486 -1.925 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.867 19.396 -1.660 1.00 0.00 N ATOM 878 NH2 ARG A 56 6.106 20.535 -2.592 1.00 0.00 N ATOM 0 H ARG A 56 3.615 12.522 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 56 3.414 14.231 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.737 14.714 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.935 15.956 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.092 16.916 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.192 15.807 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.578 17.642 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.970 16.845 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 56 4.749 18.628 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.228 18.590 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.503 20.132 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.110 20.607 -2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.745 21.269 -2.897 1.00 0.00 H new ATOM 892 N ASP A 57 1.428 14.844 -2.768 1.00 0.00 N ATOM 893 CA ASP A 57 0.248 15.568 -3.225 1.00 0.00 C ATOM 894 C ASP A 57 -0.863 14.600 -3.621 1.00 0.00 C ATOM 895 O ASP A 57 -0.601 13.458 -4.002 1.00 0.00 O ATOM 896 CB ASP A 57 0.602 16.469 -4.409 1.00 0.00 C ATOM 897 CG ASP A 57 0.888 15.680 -5.672 1.00 0.00 C ATOM 898 OD1 ASP A 57 -0.076 15.186 -6.293 1.00 0.00 O ATOM 899 OD2 ASP A 57 2.076 15.556 -6.038 1.00 0.00 O ATOM 0 H ASP A 57 1.420 13.846 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.109 16.187 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.220 17.160 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.474 17.072 -4.155 1.00 0.00 H new ATOM 904 N THR A 58 -2.106 15.063 -3.529 1.00 0.00 N ATOM 905 CA THR A 58 -3.257 14.239 -3.876 1.00 0.00 C ATOM 906 C THR A 58 -3.923 14.735 -5.154 1.00 0.00 C ATOM 907 O THR A 58 -5.120 15.021 -5.170 1.00 0.00 O ATOM 908 CB THR A 58 -4.298 14.222 -2.740 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.575 15.559 -2.310 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.800 13.398 -1.562 1.00 0.00 C ATOM 0 H THR A 58 -2.341 16.005 -3.217 1.00 0.00 H new ATOM 0 HA THR A 58 -2.885 13.226 -4.033 1.00 0.00 H new ATOM 0 HB THR A 58 -5.212 13.766 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.923 16.080 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.552 13.401 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.618 12.373 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.874 13.829 -1.182 1.00 0.00 H new ATOM 918 N ASP A 59 -3.141 14.833 -6.223 1.00 0.00 N ATOM 919 CA ASP A 59 -3.657 15.292 -7.508 1.00 0.00 C ATOM 920 C ASP A 59 -3.935 14.113 -8.435 1.00 0.00 C ATOM 921 O ASP A 59 -3.640 12.966 -8.102 1.00 0.00 O ATOM 922 CB ASP A 59 -2.665 16.252 -8.166 1.00 0.00 C ATOM 923 CG ASP A 59 -3.340 17.220 -9.117 1.00 0.00 C ATOM 924 OD1 ASP A 59 -4.080 18.104 -8.637 1.00 0.00 O ATOM 925 OD2 ASP A 59 -3.129 17.094 -10.342 1.00 0.00 O ATOM 0 H ASP A 59 -2.148 14.601 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.595 15.818 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.140 16.813 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.914 15.678 -8.709 1.00 0.00 H new ATOM 930 N ALA A 60 -4.505 14.405 -9.600 1.00 0.00 N ATOM 931 CA ALA A 60 -4.821 13.369 -10.575 1.00 0.00 C ATOM 932 C ALA A 60 -3.740 12.294 -10.605 1.00 0.00 C ATOM 933 O ALA A 60 -4.019 11.112 -10.401 1.00 0.00 O ATOM 934 CB ALA A 60 -4.997 13.982 -11.957 1.00 0.00 C ATOM 0 H ALA A 60 -4.757 15.350 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.757 12.897 -10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.233 13.197 -12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.810 14.708 -11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.074 14.481 -12.254 1.00 0.00 H new ATOM 940 N LYS A 61 -2.505 12.710 -10.861 1.00 0.00 N ATOM 941 CA LYS A 61 -1.381 11.784 -10.918 1.00 0.00 C ATOM 942 C LYS A 61 -1.431 10.796 -9.757 1.00 0.00 C ATOM 943 O LYS A 61 -1.482 9.583 -9.963 1.00 0.00 O ATOM 944 CB LYS A 61 -0.058 12.552 -10.890 1.00 0.00 C ATOM 945 CG LYS A 61 0.031 13.649 -11.938 1.00 0.00 C ATOM 946 CD LYS A 61 1.474 13.987 -12.270 1.00 0.00 C ATOM 947 CE LYS A 61 1.618 15.430 -12.727 1.00 0.00 C ATOM 948 NZ LYS A 61 3.015 15.748 -13.134 1.00 0.00 N ATOM 0 H LYS A 61 -2.257 13.684 -11.033 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.450 11.226 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.076 12.993 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.763 11.851 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.487 13.332 -12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.479 14.542 -11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.099 13.818 -11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.834 13.319 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.945 15.614 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.314 16.098 -11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.070 16.741 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.654 15.597 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.297 15.128 -13.920 1.00 0.00 H new ATOM 962 N TYR A 62 -1.418 11.322 -8.537 1.00 0.00 N ATOM 963 CA TYR A 62 -1.461 10.486 -7.343 1.00 0.00 C ATOM 964 C TYR A 62 -2.453 9.340 -7.517 1.00 0.00 C ATOM 965 O TYR A 62 -2.138 8.183 -7.236 1.00 0.00 O ATOM 966 CB TYR A 62 -1.843 11.324 -6.122 1.00 0.00 C ATOM 967 CG TYR A 62 -2.169 10.498 -4.898 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.178 10.142 -3.992 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.468 10.072 -4.649 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.471 9.387 -2.873 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.770 9.318 -3.532 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.768 8.978 -2.647 1.00 0.00 C ATOM 973 OH TYR A 62 -3.065 8.225 -1.534 1.00 0.00 O ATOM 0 H TYR A 62 -1.378 12.324 -8.349 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.468 10.064 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.022 12.001 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.704 11.943 -6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.161 10.461 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.255 10.335 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.688 9.119 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.785 8.996 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.023 8.021 -1.523 1.00 0.00 H new ATOM 983 N LYS A 63 -3.652 9.669 -7.984 1.00 0.00 N ATOM 984 CA LYS A 63 -4.691 8.669 -8.198 1.00 0.00 C ATOM 985 C LYS A 63 -4.325 7.742 -9.353 1.00 0.00 C ATOM 986 O LYS A 63 -4.527 6.531 -9.278 1.00 0.00 O ATOM 987 CB LYS A 63 -6.032 9.349 -8.482 1.00 0.00 C ATOM 988 CG LYS A 63 -6.583 10.126 -7.298 1.00 0.00 C ATOM 989 CD LYS A 63 -7.582 11.182 -7.741 1.00 0.00 C ATOM 990 CE LYS A 63 -8.487 11.608 -6.595 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.289 10.469 -6.069 1.00 0.00 N ATOM 0 H LYS A 63 -3.929 10.622 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.778 8.073 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.914 10.027 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.758 8.592 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.063 9.438 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.763 10.602 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.048 12.051 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.188 10.791 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.882 12.028 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.157 12.397 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.171 10.829 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.515 9.815 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.742 9.966 -5.341 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.783 8.320 -10.420 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.387 7.546 -11.591 1.00 0.00 C ATOM 1007 C ASN A 64 -2.506 6.366 -11.190 1.00 0.00 C ATOM 1008 O ASN A 64 -2.703 5.244 -11.656 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.645 8.435 -12.590 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.352 7.720 -13.895 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -1.297 7.105 -14.055 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.286 7.799 -14.835 1.00 0.00 N ATOM 0 H ASN A 64 -3.608 9.322 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.290 7.159 -12.062 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.241 9.325 -12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.709 8.773 -12.146 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.145 7.339 -15.734 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.145 8.320 -14.658 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.534 6.629 -10.323 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.623 5.590 -9.857 1.00 0.00 C ATOM 1021 C LYS A 65 -1.353 4.580 -8.979 1.00 0.00 C ATOM 1022 O LYS A 65 -1.164 3.371 -9.117 1.00 0.00 O ATOM 1023 CB LYS A 65 0.538 6.214 -9.079 1.00 0.00 C ATOM 1024 CG LYS A 65 1.449 5.191 -8.421 1.00 0.00 C ATOM 1025 CD LYS A 65 2.132 4.309 -9.453 1.00 0.00 C ATOM 1026 CE LYS A 65 3.234 5.059 -10.185 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.463 4.513 -11.552 1.00 0.00 N ATOM 0 H LYS A 65 -1.357 7.553 -9.929 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.229 5.068 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.128 6.831 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.136 6.877 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.202 5.704 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.868 4.571 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.552 3.431 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.395 3.950 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.971 6.114 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.158 4.999 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.221 5.051 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.739 3.513 -11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.589 4.594 -12.109 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.189 5.082 -8.077 1.00 0.00 N ATOM 1042 CA TYR A 66 -2.947 4.223 -7.175 1.00 0.00 C ATOM 1043 C TYR A 66 -3.822 3.249 -7.959 1.00 0.00 C ATOM 1044 O TYR A 66 -3.717 2.033 -7.795 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.815 5.068 -6.241 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.054 4.351 -5.753 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.955 3.232 -4.935 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.322 4.792 -6.109 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.084 2.573 -4.486 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.456 4.141 -5.664 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.332 3.032 -4.853 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.459 2.380 -4.409 1.00 0.00 O ATOM 0 H TYR A 66 -2.359 6.080 -7.951 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.238 3.648 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.219 5.372 -5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.113 5.979 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.979 2.871 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.423 5.659 -6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.990 1.704 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.434 4.498 -5.949 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.739 1.719 -5.076 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.685 3.792 -8.811 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.579 2.973 -9.620 1.00 0.00 C ATOM 1064 C ARG A 67 -4.786 2.043 -10.534 1.00 0.00 C ATOM 1065 O ARG A 67 -5.323 1.068 -11.059 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.503 3.861 -10.456 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.794 4.578 -11.593 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.782 5.282 -12.510 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.292 4.393 -13.550 1.00 0.00 N ATOM 1070 CZ ARG A 67 -6.592 4.037 -14.621 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -5.359 4.492 -14.792 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -7.126 3.224 -15.524 1.00 0.00 N ATOM 0 H ARG A 67 -4.784 4.796 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.183 2.365 -8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.306 3.249 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.968 4.601 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.093 5.306 -11.185 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.209 3.860 -12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.615 5.665 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.298 6.142 -12.973 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.238 4.025 -13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.946 5.117 -14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.824 4.217 -15.615 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.075 2.872 -15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.588 2.951 -16.346 1.00 0.00 H new ATOM 1086 N SER A 68 -3.507 2.353 -10.719 1.00 0.00 N ATOM 1087 CA SER A 68 -2.642 1.548 -11.573 1.00 0.00 C ATOM 1088 C SER A 68 -1.993 0.418 -10.778 1.00 0.00 C ATOM 1089 O SER A 68 -1.522 -0.567 -11.348 1.00 0.00 O ATOM 1090 CB SER A 68 -1.561 2.424 -12.210 1.00 0.00 C ATOM 1091 OG SER A 68 -0.944 1.761 -13.300 1.00 0.00 O ATOM 0 H SER A 68 -3.047 3.156 -10.289 1.00 0.00 H new ATOM 0 HA SER A 68 -3.256 1.110 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.002 3.360 -12.552 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.809 2.680 -11.463 1.00 0.00 H new ATOM 0 HG SER A 68 -0.258 2.342 -13.691 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.974 0.568 -9.458 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.383 -0.439 -8.583 1.00 0.00 C ATOM 1099 C LEU A 69 -2.400 -1.522 -8.236 1.00 0.00 C ATOM 1100 O LEU A 69 -2.112 -2.714 -8.340 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.859 0.214 -7.303 1.00 0.00 C ATOM 1102 CG LEU A 69 0.388 1.085 -7.456 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.820 1.640 -6.108 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.518 0.291 -8.095 1.00 0.00 C ATOM 0 H LEU A 69 -2.361 1.376 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.551 -0.903 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.655 0.826 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.642 -0.573 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 69 0.145 1.923 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.709 2.257 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.016 2.245 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.045 0.816 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.398 0.927 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.760 -0.567 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.207 -0.057 -9.080 1.00 0.00 H new ATOM 1116 N MET A 70 -3.591 -1.098 -7.826 1.00 0.00 N ATOM 1117 CA MET A 70 -4.652 -2.033 -7.467 1.00 0.00 C ATOM 1118 C MET A 70 -5.288 -2.638 -8.714 1.00 0.00 C ATOM 1119 O MET A 70 -5.935 -3.684 -8.647 1.00 0.00 O ATOM 1120 CB MET A 70 -5.719 -1.328 -6.627 1.00 0.00 C ATOM 1121 CG MET A 70 -6.752 -0.583 -7.457 1.00 0.00 C ATOM 1122 SD MET A 70 -7.894 0.378 -6.446 1.00 0.00 S ATOM 1123 CE MET A 70 -8.511 -0.886 -5.337 1.00 0.00 C ATOM 0 H MET A 70 -3.846 -0.115 -7.734 1.00 0.00 H new ATOM 0 HA MET A 70 -4.210 -2.838 -6.879 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.227 -2.066 -6.006 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.232 -0.625 -5.952 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.242 0.082 -8.153 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.316 -1.298 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.464 -0.566 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.652 -1.816 -5.888 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.793 -1.046 -4.532 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.100 -1.975 -9.850 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.657 -2.448 -11.112 1.00 0.00 C ATOM 1135 C PHE A 71 -5.030 -3.778 -11.519 1.00 0.00 C ATOM 1136 O PHE A 71 -5.708 -4.662 -12.041 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.435 -1.409 -12.213 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.362 -2.002 -13.591 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.474 -2.602 -14.161 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.183 -1.959 -14.317 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -6.411 -3.148 -15.429 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -4.114 -2.504 -15.585 1.00 0.00 C ATOM 1143 CZ PHE A 71 -5.229 -3.100 -16.142 1.00 0.00 C ATOM 0 H PHE A 71 -4.566 -1.109 -9.923 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.728 -2.598 -10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.245 -0.680 -12.182 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.511 -0.868 -12.010 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.401 -2.643 -13.608 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.308 -1.494 -13.887 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.285 -3.612 -15.862 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.189 -2.464 -16.140 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.177 -3.527 -17.132 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.730 -3.912 -11.275 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.010 -5.134 -11.617 1.00 0.00 C ATOM 1155 C ASN A 72 -3.286 -6.231 -10.594 1.00 0.00 C ATOM 1156 O ASN A 72 -2.872 -7.378 -10.771 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.507 -4.859 -11.695 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.080 -4.369 -13.065 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.519 -5.124 -13.860 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.343 -3.098 -13.348 1.00 0.00 N ATOM 0 H ASN A 72 -3.154 -3.190 -10.842 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.361 -5.474 -12.591 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.237 -4.115 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.960 -5.770 -11.451 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.078 -2.712 -14.254 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.810 -2.508 -12.659 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.986 -5.873 -9.524 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.318 -6.827 -8.471 1.00 0.00 C ATOM 1169 C LEU A 73 -5.662 -7.495 -8.746 1.00 0.00 C ATOM 1170 O LEU A 73 -5.805 -8.709 -8.603 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.353 -6.126 -7.112 1.00 0.00 C ATOM 1172 CG LEU A 73 -3.003 -5.674 -6.555 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.198 -4.664 -5.435 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.201 -6.871 -6.063 1.00 0.00 C ATOM 0 H LEU A 73 -4.335 -4.928 -9.362 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.546 -7.597 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.001 -5.253 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.814 -6.800 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.444 -5.192 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.226 -4.354 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.731 -3.794 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.777 -5.119 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.243 -6.530 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.755 -7.382 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.030 -7.559 -6.891 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.644 -6.694 -9.144 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.976 -7.207 -9.444 1.00 0.00 C ATOM 1188 C LYS A 74 -7.973 -8.004 -10.744 1.00 0.00 C ATOM 1189 O LYS A 74 -8.670 -9.011 -10.868 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.979 -6.055 -9.541 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.684 -5.087 -10.674 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.458 -3.789 -10.514 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.956 -4.013 -10.652 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.391 -3.993 -12.076 1.00 0.00 N ATOM 0 H LYS A 74 -6.543 -5.686 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.273 -7.872 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.980 -6.466 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.984 -5.508 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.616 -4.873 -10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.942 -5.550 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.242 -3.354 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.126 -3.071 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.223 -4.970 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.491 -3.242 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.418 -4.149 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.160 -3.071 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.900 -4.745 -12.600 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.184 -7.547 -11.710 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.089 -8.219 -13.001 1.00 0.00 C ATOM 1210 C ASP A 75 -7.008 -9.731 -12.822 1.00 0.00 C ATOM 1211 O ASP A 75 -6.341 -10.239 -11.920 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.866 -7.718 -13.771 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.983 -7.958 -15.264 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.816 -7.288 -15.910 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.242 -8.817 -15.786 1.00 0.00 O ATOM 0 H ASP A 75 -6.601 -6.714 -11.624 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.989 -7.987 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.736 -6.652 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.973 -8.218 -13.394 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.703 -10.470 -13.700 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.726 -11.935 -13.658 1.00 0.00 C ATOM 1222 C PRO A 76 -6.387 -12.547 -14.054 1.00 0.00 C ATOM 1223 O PRO A 76 -5.988 -13.587 -13.528 1.00 0.00 O ATOM 1224 CB PRO A 76 -8.805 -12.302 -14.681 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.841 -11.148 -15.623 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.519 -9.931 -14.801 1.00 0.00 C ATOM 0 HA PRO A 76 -7.925 -12.311 -12.654 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.560 -13.229 -15.200 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.772 -12.451 -14.200 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.117 -11.278 -16.427 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.822 -11.055 -16.089 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.971 -9.188 -15.381 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.422 -9.445 -14.432 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.696 -11.897 -14.984 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.400 -12.376 -15.451 1.00 0.00 C ATOM 1236 C LYS A 77 -3.389 -12.407 -14.309 1.00 0.00 C ATOM 1237 O LYS A 77 -2.699 -13.405 -14.106 1.00 0.00 O ATOM 1238 CB LYS A 77 -3.881 -11.485 -16.581 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.885 -11.277 -17.702 1.00 0.00 C ATOM 1240 CD LYS A 77 -5.080 -12.544 -18.518 1.00 0.00 C ATOM 1241 CE LYS A 77 -4.039 -12.663 -19.620 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.374 -11.811 -20.794 1.00 0.00 N ATOM 0 H LYS A 77 -6.012 -11.036 -15.430 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.529 -13.391 -15.827 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.603 -10.515 -16.169 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.974 -11.927 -16.994 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.841 -10.963 -17.282 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.543 -10.473 -18.353 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.019 -13.413 -17.863 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.078 -12.545 -18.957 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.063 -12.376 -19.230 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.962 -13.703 -19.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.640 -11.920 -21.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.294 -12.101 -21.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.422 -10.815 -20.498 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.308 -11.309 -13.565 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.382 -11.212 -12.443 1.00 0.00 C ATOM 1258 C ASN A 78 -2.938 -11.926 -11.215 1.00 0.00 C ATOM 1259 O ASN A 78 -3.840 -11.423 -10.547 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.103 -9.745 -12.111 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.372 -9.027 -13.229 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -1.683 -9.211 -14.406 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.396 -8.204 -12.865 1.00 0.00 N ATOM 0 H ASN A 78 -3.873 -10.474 -13.719 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.449 -11.696 -12.731 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.045 -9.235 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.510 -9.689 -11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.131 -7.693 -13.573 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.173 -8.083 -11.877 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.393 -13.103 -10.924 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.835 -13.887 -9.776 1.00 0.00 C ATOM 1272 C ASN A 79 -1.664 -14.204 -8.851 1.00 0.00 C ATOM 1273 O ASN A 79 -1.726 -15.140 -8.053 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.496 -15.185 -10.243 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.698 -15.883 -11.328 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.603 -16.389 -11.080 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.244 -15.913 -12.538 1.00 0.00 N ATOM 0 H ASN A 79 -1.645 -13.535 -11.467 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.563 -13.295 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.612 -15.857 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.497 -14.966 -10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.754 -16.369 -13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.154 -15.481 -12.698 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.598 -13.418 -8.963 1.00 0.00 N ATOM 1285 CA ILE A 80 0.586 -13.613 -8.136 1.00 0.00 C ATOM 1286 C ILE A 80 0.960 -12.331 -7.400 1.00 0.00 C ATOM 1287 O ILE A 80 1.424 -12.370 -6.260 1.00 0.00 O ATOM 1288 CB ILE A 80 1.789 -14.079 -8.977 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.401 -15.280 -9.842 1.00 0.00 C ATOM 1290 CG2 ILE A 80 2.963 -14.428 -8.073 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.528 -15.786 -10.714 1.00 0.00 C ATOM 0 H ILE A 80 -0.530 -12.640 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 80 0.339 -14.387 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 80 2.091 -13.264 -9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.062 -16.089 -9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.558 -15.004 -10.476 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.806 -14.756 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.252 -13.549 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.673 -15.229 -7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.181 -16.638 -11.299 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.853 -14.992 -11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.364 -16.094 -10.086 1.00 0.00 H new ATOM 1303 N LEU A 81 0.753 -11.196 -8.058 1.00 0.00 N ATOM 1304 CA LEU A 81 1.066 -9.900 -7.465 1.00 0.00 C ATOM 1305 C LEU A 81 0.552 -9.818 -6.031 1.00 0.00 C ATOM 1306 O LEU A 81 1.329 -9.656 -5.090 1.00 0.00 O ATOM 1307 CB LEU A 81 0.458 -8.774 -8.302 1.00 0.00 C ATOM 1308 CG LEU A 81 1.211 -7.443 -8.286 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.678 -7.656 -8.625 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.574 -6.458 -9.255 1.00 0.00 C ATOM 0 H LEU A 81 0.370 -11.146 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 81 2.150 -9.788 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.385 -9.115 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.559 -8.597 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 81 1.149 -7.024 -7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.198 -6.698 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.127 -8.325 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.762 -8.097 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.123 -5.517 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.604 -6.869 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.462 -6.282 -8.966 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.762 -9.934 -5.872 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.381 -9.874 -4.553 1.00 0.00 C ATOM 1324 C PHE A 82 -0.683 -10.823 -3.582 1.00 0.00 C ATOM 1325 O PHE A 82 -0.670 -10.593 -2.372 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.867 -10.224 -4.646 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.128 -11.697 -4.788 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.281 -12.498 -3.668 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.221 -12.280 -6.041 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.522 -13.853 -3.794 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.462 -13.634 -6.174 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.612 -14.422 -5.049 1.00 0.00 C ATOM 0 H PHE A 82 -1.419 -10.070 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.278 -8.856 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.375 -9.857 -3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.302 -9.702 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.211 -12.058 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.104 -11.669 -6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.640 -14.466 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.533 -14.076 -7.157 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.799 -15.481 -5.151 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.105 -11.891 -4.121 1.00 0.00 N ATOM 1343 CA LYS A 83 0.595 -12.876 -3.304 1.00 0.00 C ATOM 1344 C LYS A 83 2.037 -12.447 -3.052 1.00 0.00 C ATOM 1345 O LYS A 83 2.620 -12.770 -2.017 1.00 0.00 O ATOM 1346 CB LYS A 83 0.572 -14.245 -3.988 1.00 0.00 C ATOM 1347 CG LYS A 83 -0.628 -15.095 -3.606 1.00 0.00 C ATOM 1348 CD LYS A 83 -0.300 -16.577 -3.659 1.00 0.00 C ATOM 1349 CE LYS A 83 -1.559 -17.423 -3.771 1.00 0.00 C ATOM 1350 NZ LYS A 83 -1.256 -18.813 -4.212 1.00 0.00 N ATOM 0 H LYS A 83 -0.107 -12.097 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 83 0.082 -12.947 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.576 -14.102 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.485 -14.784 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.958 -14.830 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.457 -14.880 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.351 -16.776 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.252 -16.861 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.065 -17.450 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.246 -16.959 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.140 -19.357 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.796 -18.789 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.620 -19.265 -3.524 1.00 0.00 H new ATOM 1364 N LYS A 84 2.607 -11.716 -4.004 1.00 0.00 N ATOM 1365 CA LYS A 84 3.980 -11.239 -3.884 1.00 0.00 C ATOM 1366 C LYS A 84 4.120 -10.271 -2.714 1.00 0.00 C ATOM 1367 O LYS A 84 4.944 -10.475 -1.822 1.00 0.00 O ATOM 1368 CB LYS A 84 4.419 -10.555 -5.181 1.00 0.00 C ATOM 1369 CG LYS A 84 4.782 -11.528 -6.289 1.00 0.00 C ATOM 1370 CD LYS A 84 4.499 -10.941 -7.662 1.00 0.00 C ATOM 1371 CE LYS A 84 5.455 -11.488 -8.710 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.930 -12.729 -9.345 1.00 0.00 N ATOM 0 H LYS A 84 2.139 -11.441 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 84 4.622 -12.100 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.616 -9.905 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.278 -9.917 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.838 -11.788 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.216 -12.451 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.473 -11.167 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.586 -9.855 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.625 -10.732 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.420 -11.697 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.360 -12.847 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.166 -13.549 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.897 -12.658 -9.443 1.00 0.00 H new ATOM 1386 N VAL A 85 3.309 -9.218 -2.722 1.00 0.00 N ATOM 1387 CA VAL A 85 3.341 -8.220 -1.660 1.00 0.00 C ATOM 1388 C VAL A 85 2.980 -8.839 -0.314 1.00 0.00 C ATOM 1389 O VAL A 85 3.645 -8.591 0.693 1.00 0.00 O ATOM 1390 CB VAL A 85 2.374 -7.057 -1.953 1.00 0.00 C ATOM 1391 CG1 VAL A 85 2.521 -5.964 -0.907 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.614 -6.505 -3.350 1.00 0.00 C ATOM 0 H VAL A 85 2.621 -9.034 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 85 4.360 -7.834 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 85 1.353 -7.436 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.830 -5.151 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.296 -6.371 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.543 -5.585 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.923 -5.684 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.639 -6.141 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.453 -7.293 -4.085 1.00 0.00 H new ATOM 1402 N LEU A 86 1.925 -9.645 -0.303 1.00 0.00 N ATOM 1403 CA LEU A 86 1.475 -10.300 0.920 1.00 0.00 C ATOM 1404 C LEU A 86 2.563 -11.211 1.481 1.00 0.00 C ATOM 1405 O LEU A 86 3.000 -11.046 2.620 1.00 0.00 O ATOM 1406 CB LEU A 86 0.205 -11.109 0.651 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.117 -10.366 0.844 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.257 -9.251 -0.181 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.290 -11.331 0.748 1.00 0.00 C ATOM 0 H LEU A 86 1.365 -9.861 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 86 1.257 -9.528 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.244 -11.480 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.208 -11.981 1.306 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.119 -9.920 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.204 -8.733 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.435 -8.545 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.233 -9.675 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.223 -10.785 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.291 -11.806 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.197 -12.094 1.520 1.00 0.00 H new ATOM 1421 N LYS A 87 2.997 -12.173 0.673 1.00 0.00 N ATOM 1422 CA LYS A 87 4.036 -13.108 1.086 1.00 0.00 C ATOM 1423 C LYS A 87 5.294 -12.366 1.524 1.00 0.00 C ATOM 1424 O LYS A 87 5.933 -12.734 2.508 1.00 0.00 O ATOM 1425 CB LYS A 87 4.370 -14.069 -0.058 1.00 0.00 C ATOM 1426 CG LYS A 87 3.357 -15.188 -0.228 1.00 0.00 C ATOM 1427 CD LYS A 87 3.222 -16.015 1.039 1.00 0.00 C ATOM 1428 CE LYS A 87 2.514 -17.335 0.770 1.00 0.00 C ATOM 1429 NZ LYS A 87 1.837 -17.859 1.988 1.00 0.00 N ATOM 0 H LYS A 87 2.645 -12.325 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 87 3.659 -13.679 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.435 -13.505 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.353 -14.504 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.388 -14.765 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.660 -15.832 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.211 -16.209 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.667 -15.449 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.779 -17.198 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.237 -18.068 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.367 -18.759 1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.541 -18.014 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.129 -17.171 2.315 1.00 0.00 H new ATOM 1443 N GLY A 88 5.644 -11.316 0.786 1.00 0.00 N ATOM 1444 CA GLY A 88 6.823 -10.538 1.115 1.00 0.00 C ATOM 1445 C GLY A 88 7.705 -10.282 -0.091 1.00 0.00 C ATOM 1446 O GLY A 88 8.542 -9.380 -0.076 1.00 0.00 O ATOM 0 H GLY A 88 5.131 -10.991 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.517 -9.585 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.399 -11.062 1.878 1.00 0.00 H new ATOM 1450 N GLU A 89 7.517 -11.079 -1.139 1.00 0.00 N ATOM 1451 CA GLU A 89 8.304 -10.935 -2.358 1.00 0.00 C ATOM 1452 C GLU A 89 8.474 -9.464 -2.726 1.00 0.00 C ATOM 1453 O GLU A 89 9.587 -8.996 -2.963 1.00 0.00 O ATOM 1454 CB GLU A 89 7.640 -11.688 -3.512 1.00 0.00 C ATOM 1455 CG GLU A 89 7.965 -13.171 -3.539 1.00 0.00 C ATOM 1456 CD GLU A 89 9.265 -13.470 -4.261 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.134 -12.575 -4.312 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.413 -14.599 -4.776 1.00 0.00 O ATOM 0 H GLU A 89 6.827 -11.830 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 89 9.290 -11.362 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.559 -11.563 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.952 -11.239 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.027 -13.544 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.151 -13.709 -4.026 1.00 0.00 H new ATOM 1465 N VAL A 90 7.360 -8.739 -2.771 1.00 0.00 N ATOM 1466 CA VAL A 90 7.384 -7.321 -3.109 1.00 0.00 C ATOM 1467 C VAL A 90 7.008 -6.463 -1.907 1.00 0.00 C ATOM 1468 O VAL A 90 6.256 -6.894 -1.032 1.00 0.00 O ATOM 1469 CB VAL A 90 6.424 -7.005 -4.272 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.297 -5.502 -4.466 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.897 -7.679 -5.551 1.00 0.00 C ATOM 0 H VAL A 90 6.430 -9.111 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 90 8.403 -7.086 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 90 5.438 -7.399 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.615 -5.298 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.908 -5.049 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.276 -5.080 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.207 -7.445 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.893 -7.317 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.930 -8.758 -5.403 1.00 0.00 H new ATOM 1481 N THR A 91 7.536 -5.244 -1.868 1.00 0.00 N ATOM 1482 CA THR A 91 7.257 -4.324 -0.773 1.00 0.00 C ATOM 1483 C THR A 91 6.211 -3.291 -1.175 1.00 0.00 C ATOM 1484 O THR A 91 6.058 -2.951 -2.348 1.00 0.00 O ATOM 1485 CB THR A 91 8.533 -3.593 -0.314 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.426 -3.425 -1.421 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.231 -4.367 0.794 1.00 0.00 C ATOM 0 H THR A 91 8.160 -4.871 -2.583 1.00 0.00 H new ATOM 0 HA THR A 91 6.873 -4.924 0.052 1.00 0.00 H new ATOM 0 HB THR A 91 8.246 -2.615 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.234 -2.958 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.129 -3.832 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.559 -4.468 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.506 -5.357 0.429 1.00 0.00 H new ATOM 1495 N PRO A 92 5.472 -2.778 -0.180 1.00 0.00 N ATOM 1496 CA PRO A 92 4.427 -1.775 -0.406 1.00 0.00 C ATOM 1497 C PRO A 92 5.001 -0.421 -0.810 1.00 0.00 C ATOM 1498 O PRO A 92 4.261 0.497 -1.164 1.00 0.00 O ATOM 1499 CB PRO A 92 3.731 -1.676 0.953 1.00 0.00 C ATOM 1500 CG PRO A 92 4.763 -2.101 1.940 1.00 0.00 C ATOM 1501 CD PRO A 92 5.600 -3.137 1.243 1.00 0.00 C ATOM 0 HA PRO A 92 3.761 -2.057 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.390 -0.660 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.853 -2.321 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.373 -1.255 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.300 -2.512 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.638 -3.104 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.235 -4.146 1.437 1.00 0.00 H new ATOM 1509 N ASP A 93 6.323 -0.304 -0.755 1.00 0.00 N ATOM 1510 CA ASP A 93 6.997 0.938 -1.117 1.00 0.00 C ATOM 1511 C ASP A 93 7.537 0.867 -2.542 1.00 0.00 C ATOM 1512 O ASP A 93 7.381 1.806 -3.324 1.00 0.00 O ATOM 1513 CB ASP A 93 8.137 1.229 -0.140 1.00 0.00 C ATOM 1514 CG ASP A 93 7.683 1.191 1.306 1.00 0.00 C ATOM 1515 OD1 ASP A 93 6.785 0.383 1.626 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.226 1.968 2.119 1.00 0.00 O ATOM 0 H ASP A 93 6.950 -1.054 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 93 6.268 1.747 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.933 0.499 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.559 2.210 -0.360 1.00 0.00 H new ATOM 1521 N HIS A 94 8.176 -0.251 -2.873 1.00 0.00 N ATOM 1522 CA HIS A 94 8.741 -0.443 -4.204 1.00 0.00 C ATOM 1523 C HIS A 94 7.640 -0.705 -5.228 1.00 0.00 C ATOM 1524 O HIS A 94 7.758 -0.321 -6.393 1.00 0.00 O ATOM 1525 CB HIS A 94 9.733 -1.607 -4.196 1.00 0.00 C ATOM 1526 CG HIS A 94 10.758 -1.526 -5.285 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.747 -0.566 -5.319 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.946 -2.296 -6.383 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.497 -0.746 -6.391 1.00 0.00 C ATOM 1530 NE2 HIS A 94 12.032 -1.790 -7.053 1.00 0.00 N ATOM 0 H HIS A 94 8.315 -1.037 -2.238 1.00 0.00 H new ATOM 0 HA HIS A 94 9.265 0.470 -4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.240 -1.635 -3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.183 -2.543 -4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.352 -3.149 -6.677 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.346 -0.143 -6.677 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.418 -2.160 -7.922 1.00 0.00 H new ATOM 1539 N LEU A 95 6.572 -1.360 -4.788 1.00 0.00 N ATOM 1540 CA LEU A 95 5.450 -1.673 -5.666 1.00 0.00 C ATOM 1541 C LEU A 95 5.051 -0.456 -6.494 1.00 0.00 C ATOM 1542 O LEU A 95 4.539 -0.590 -7.606 1.00 0.00 O ATOM 1543 CB LEU A 95 4.255 -2.161 -4.846 1.00 0.00 C ATOM 1544 CG LEU A 95 2.991 -2.499 -5.637 1.00 0.00 C ATOM 1545 CD1 LEU A 95 3.069 -3.914 -6.189 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.755 -2.332 -4.765 1.00 0.00 C ATOM 0 H LEU A 95 6.459 -1.685 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 95 5.763 -2.465 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.559 -3.048 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.006 -1.394 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 95 2.915 -1.807 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.161 -4.137 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.932 -4.000 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.170 -4.621 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.865 -2.577 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.823 -2.999 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.690 -1.300 -4.419 1.00 0.00 H new ATOM 1558 N ILE A 96 5.289 0.731 -5.945 1.00 0.00 N ATOM 1559 CA ILE A 96 4.957 1.971 -6.635 1.00 0.00 C ATOM 1560 C ILE A 96 5.967 2.276 -7.735 1.00 0.00 C ATOM 1561 O ILE A 96 5.603 2.750 -8.812 1.00 0.00 O ATOM 1562 CB ILE A 96 4.903 3.161 -5.658 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.117 2.782 -4.401 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.280 4.373 -6.334 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.364 3.710 -3.232 1.00 0.00 C ATOM 0 H ILE A 96 5.710 0.860 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 96 3.972 1.831 -7.080 1.00 0.00 H new ATOM 0 HB ILE A 96 5.921 3.417 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.052 2.780 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.381 1.765 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.249 5.206 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.877 4.653 -7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.267 4.130 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.775 3.381 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.422 3.694 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.073 4.724 -3.505 1.00 0.00 H new ATOM 1577 N ARG A 97 7.237 2.000 -7.458 1.00 0.00 N ATOM 1578 CA ARG A 97 8.301 2.244 -8.425 1.00 0.00 C ATOM 1579 C ARG A 97 8.231 1.243 -9.574 1.00 0.00 C ATOM 1580 O ARG A 97 8.784 1.477 -10.648 1.00 0.00 O ATOM 1581 CB ARG A 97 9.668 2.159 -7.743 1.00 0.00 C ATOM 1582 CG ARG A 97 9.890 3.232 -6.690 1.00 0.00 C ATOM 1583 CD ARG A 97 11.195 3.014 -5.940 1.00 0.00 C ATOM 1584 NE ARG A 97 12.324 3.655 -6.608 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.011 3.091 -7.595 1.00 0.00 C ATOM 1586 NH1 ARG A 97 12.685 1.881 -8.027 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.026 3.738 -8.153 1.00 0.00 N ATOM 0 H ARG A 97 7.555 1.607 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 97 8.166 3.247 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.773 1.179 -7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.448 2.238 -8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.901 4.213 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.059 3.229 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.102 3.408 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.387 1.945 -5.850 1.00 0.00 H new ATOM 0 HE ARG A 97 12.600 4.587 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.905 1.381 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.214 1.450 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.280 4.670 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.553 3.304 -8.911 1.00 0.00 H new ATOM 1601 N MET A 98 7.548 0.127 -9.340 1.00 0.00 N ATOM 1602 CA MET A 98 7.405 -0.909 -10.356 1.00 0.00 C ATOM 1603 C MET A 98 6.711 -0.360 -11.599 1.00 0.00 C ATOM 1604 O MET A 98 5.621 0.206 -11.514 1.00 0.00 O ATOM 1605 CB MET A 98 6.615 -2.095 -9.799 1.00 0.00 C ATOM 1606 CG MET A 98 7.291 -2.774 -8.619 1.00 0.00 C ATOM 1607 SD MET A 98 6.522 -4.348 -8.190 1.00 0.00 S ATOM 1608 CE MET A 98 7.417 -5.466 -9.265 1.00 0.00 C ATOM 0 H MET A 98 7.085 -0.083 -8.456 1.00 0.00 H new ATOM 0 HA MET A 98 8.403 -1.246 -10.637 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.627 -1.751 -9.493 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.466 -2.827 -10.593 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.342 -2.940 -8.854 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.258 -2.110 -7.755 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.054 -6.483 -9.116 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.262 -5.174 -10.304 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.481 -5.423 -9.031 1.00 0.00 H new ATOM 1618 N SER A 99 7.350 -0.530 -12.752 1.00 0.00 N ATOM 1619 CA SER A 99 6.796 -0.047 -14.011 1.00 0.00 C ATOM 1620 C SER A 99 5.511 -0.792 -14.360 1.00 0.00 C ATOM 1621 O SER A 99 5.257 -1.900 -13.886 1.00 0.00 O ATOM 1622 CB SER A 99 7.817 -0.213 -15.139 1.00 0.00 C ATOM 1623 OG SER A 99 8.663 0.920 -15.231 1.00 0.00 O ATOM 0 H SER A 99 8.252 -0.999 -12.840 1.00 0.00 H new ATOM 0 HA SER A 99 6.562 1.011 -13.895 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.417 -1.106 -14.962 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.297 -0.361 -16.086 1.00 0.00 H new ATOM 0 HG SER A 99 9.307 0.789 -15.958 1.00 0.00 H new ATOM 1629 N PRO A 100 4.680 -0.170 -15.209 1.00 0.00 N ATOM 1630 CA PRO A 100 3.407 -0.755 -15.642 1.00 0.00 C ATOM 1631 C PRO A 100 3.603 -1.957 -16.560 1.00 0.00 C ATOM 1632 O PRO A 100 2.658 -2.692 -16.845 1.00 0.00 O ATOM 1633 CB PRO A 100 2.729 0.390 -16.398 1.00 0.00 C ATOM 1634 CG PRO A 100 3.851 1.250 -16.868 1.00 0.00 C ATOM 1635 CD PRO A 100 4.919 1.151 -15.814 1.00 0.00 C ATOM 0 HA PRO A 100 2.825 -1.132 -14.801 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.139 0.017 -17.235 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.050 0.944 -15.751 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.224 0.911 -17.834 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.524 2.282 -16.997 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.917 1.220 -16.246 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.833 1.951 -15.079 1.00 0.00 H new ATOM 1643 N GLU A 101 4.836 -2.150 -17.019 1.00 0.00 N ATOM 1644 CA GLU A 101 5.154 -3.264 -17.905 1.00 0.00 C ATOM 1645 C GLU A 101 5.774 -4.420 -17.125 1.00 0.00 C ATOM 1646 O GLU A 101 5.906 -5.529 -17.640 1.00 0.00 O ATOM 1647 CB GLU A 101 6.111 -2.808 -19.009 1.00 0.00 C ATOM 1648 CG GLU A 101 6.276 -3.823 -20.127 1.00 0.00 C ATOM 1649 CD GLU A 101 7.170 -3.320 -21.245 1.00 0.00 C ATOM 1650 OE1 GLU A 101 6.652 -2.642 -22.157 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.385 -3.603 -21.207 1.00 0.00 O ATOM 0 H GLU A 101 5.630 -1.551 -16.792 1.00 0.00 H new ATOM 0 HA GLU A 101 4.226 -3.611 -18.358 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.746 -1.871 -19.431 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.087 -2.601 -18.570 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.694 -4.743 -19.719 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.296 -4.072 -20.534 1.00 0.00 H new ATOM 1658 N GLU A 102 6.153 -4.150 -15.879 1.00 0.00 N ATOM 1659 CA GLU A 102 6.760 -5.167 -15.029 1.00 0.00 C ATOM 1660 C GLU A 102 5.701 -5.878 -14.191 1.00 0.00 C ATOM 1661 O GLU A 102 5.772 -7.090 -13.979 1.00 0.00 O ATOM 1662 CB GLU A 102 7.812 -4.537 -14.114 1.00 0.00 C ATOM 1663 CG GLU A 102 9.188 -4.434 -14.749 1.00 0.00 C ATOM 1664 CD GLU A 102 10.297 -4.311 -13.722 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.514 -5.281 -12.965 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.948 -3.247 -13.675 1.00 0.00 O ATOM 0 H GLU A 102 6.050 -3.237 -15.437 1.00 0.00 H new ATOM 0 HA GLU A 102 7.243 -5.902 -15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.479 -3.540 -13.824 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.886 -5.126 -13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.366 -5.314 -15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.214 -3.569 -15.412 1.00 0.00 H new ATOM 1673 N LEU A 103 4.722 -5.117 -13.716 1.00 0.00 N ATOM 1674 CA LEU A 103 3.648 -5.673 -12.900 1.00 0.00 C ATOM 1675 C LEU A 103 3.065 -6.926 -13.547 1.00 0.00 C ATOM 1676 O LEU A 103 2.501 -7.782 -12.867 1.00 0.00 O ATOM 1677 CB LEU A 103 2.546 -4.632 -12.694 1.00 0.00 C ATOM 1678 CG LEU A 103 2.934 -3.396 -11.883 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.128 -2.187 -12.333 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.734 -3.649 -10.396 1.00 0.00 C ATOM 0 H LEU A 103 4.649 -4.113 -13.882 1.00 0.00 H new ATOM 0 HA LEU A 103 4.066 -5.947 -11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.196 -4.304 -13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.704 -5.117 -12.200 1.00 0.00 H new ATOM 0 HG LEU A 103 3.990 -3.188 -12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.418 -1.317 -11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.322 -1.993 -13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.066 -2.384 -12.190 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.015 -2.758 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.687 -3.883 -10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.356 -4.487 -10.083 1.00 0.00 H new