USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 Single : A 1 MET CE :methyl -152:sc= -0.167 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.084 (180deg=-0.562) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00901 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 71:sc= 0.455 USER MOD Single : A 28 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-7.1!) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00676 USER MOD Single : A 35 LYS NZ :NH3+ -122:sc= -1.14 (180deg=-4.54!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0343 (180deg=-0.471) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0332 (180deg=-0.428) USER MOD Single : A 45 SER OG : rot -170:sc= -0.323 USER MOD Single : A 46 MET CE :methyl 154:sc= -0.186 (180deg=-1.27!) USER MOD Single : A 48 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-2.6!) USER MOD Single : A 52 THR OG1 : rot 82:sc= -0.888 USER MOD Single : A 54 THR OG1 : rot -62:sc= 0.923 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 72 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.57) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 74 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.221 -2.943 -1.523 1.00 0.00 N ATOM 2 CA MET A 1 11.459 -2.124 -0.303 1.00 0.00 C ATOM 3 C MET A 1 10.692 -0.811 -0.425 1.00 0.00 C ATOM 4 O MET A 1 9.643 -0.633 0.163 1.00 0.00 O ATOM 5 CB MET A 1 12.956 -1.813 -0.176 1.00 0.00 C ATOM 6 CG MET A 1 13.752 -3.115 -0.052 1.00 0.00 C ATOM 7 SD MET A 1 13.265 -3.992 1.456 1.00 0.00 S ATOM 8 CE MET A 1 13.932 -2.801 2.646 1.00 0.00 C ATOM 0 H1 MET A 1 11.457 -3.936 -1.326 1.00 0.00 H new ATOM 0 H2 MET A 1 10.221 -2.873 -1.799 1.00 0.00 H new ATOM 0 H3 MET A 1 11.819 -2.593 -2.298 1.00 0.00 H new ATOM 0 HA MET A 1 11.123 -2.676 0.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.294 -1.252 -1.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.133 -1.184 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.574 -3.745 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.820 -2.898 -0.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.198 -3.318 3.568 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.820 -2.327 2.227 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.181 -2.041 2.860 1.00 0.00 H new ATOM 20 N LYS A 2 11.214 0.114 -1.190 1.00 0.00 N ATOM 21 CA LYS A 2 10.536 1.437 -1.362 1.00 0.00 C ATOM 22 C LYS A 2 9.833 1.500 -2.716 1.00 0.00 C ATOM 23 O LYS A 2 10.195 0.823 -3.660 1.00 0.00 O ATOM 24 CB LYS A 2 11.576 2.556 -1.275 1.00 0.00 C ATOM 25 CG LYS A 2 12.115 2.632 0.156 1.00 0.00 C ATOM 26 CD LYS A 2 13.164 3.744 0.257 1.00 0.00 C ATOM 27 CE LYS A 2 13.692 3.822 1.693 1.00 0.00 C ATOM 28 NZ LYS A 2 14.708 4.910 1.792 1.00 0.00 N ATOM 0 H LYS A 2 12.087 0.010 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 2 9.794 1.560 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.391 2.367 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.128 3.508 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.299 2.825 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.556 1.676 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.985 3.548 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.726 4.699 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.871 4.013 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.135 2.869 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.066 4.963 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.496 4.709 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.271 5.818 1.534 1.00 0.00 H new ATOM 42 N GLY A 3 8.819 2.315 -2.803 1.00 0.00 N ATOM 43 CA GLY A 3 8.062 2.450 -4.077 1.00 0.00 C ATOM 44 C GLY A 3 7.027 3.565 -3.945 1.00 0.00 C ATOM 45 O GLY A 3 7.001 4.295 -2.972 1.00 0.00 O ATOM 0 H GLY A 3 8.480 2.898 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.746 2.671 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.568 1.509 -4.319 1.00 0.00 H new ATOM 49 N LYS A 4 6.176 3.699 -4.929 1.00 0.00 N ATOM 50 CA LYS A 4 5.124 4.764 -4.901 1.00 0.00 C ATOM 51 C LYS A 4 3.758 4.144 -5.173 1.00 0.00 C ATOM 52 O LYS A 4 3.611 3.259 -5.995 1.00 0.00 O ATOM 53 CB LYS A 4 5.433 5.808 -5.974 1.00 0.00 C ATOM 54 CG LYS A 4 6.718 6.549 -5.606 1.00 0.00 C ATOM 55 CD LYS A 4 7.031 7.599 -6.674 1.00 0.00 C ATOM 56 CE LYS A 4 8.315 8.343 -6.299 1.00 0.00 C ATOM 57 NZ LYS A 4 8.615 9.372 -7.336 1.00 0.00 N ATOM 0 H LYS A 4 6.164 3.110 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 4 5.114 5.239 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.544 5.326 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.606 6.513 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.607 7.028 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.545 5.844 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.146 7.120 -7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.203 8.302 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.202 8.816 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.144 7.640 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.487 9.878 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.740 8.909 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.827 10.048 -7.392 1.00 0.00 H new ATOM 71 N VAL A 5 2.754 4.614 -4.483 1.00 0.00 N ATOM 72 CA VAL A 5 1.380 4.070 -4.681 1.00 0.00 C ATOM 73 C VAL A 5 0.707 4.806 -5.833 1.00 0.00 C ATOM 74 O VAL A 5 0.517 6.006 -5.796 1.00 0.00 O ATOM 75 CB VAL A 5 0.572 4.251 -3.394 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.396 5.744 -3.082 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.803 3.597 -3.564 1.00 0.00 C ATOM 0 H VAL A 5 2.827 5.356 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 5 1.433 3.008 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 5 1.106 3.780 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.181 5.858 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.375 6.207 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.131 6.228 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.382 3.724 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.329 4.067 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.677 2.534 -3.769 1.00 0.00 H new ATOM 87 N VAL A 6 0.350 4.087 -6.863 1.00 0.00 N ATOM 88 CA VAL A 6 -0.310 4.723 -8.037 1.00 0.00 C ATOM 89 C VAL A 6 -1.828 4.629 -7.886 1.00 0.00 C ATOM 90 O VAL A 6 -2.559 5.463 -8.382 1.00 0.00 O ATOM 91 CB VAL A 6 0.132 4.009 -9.320 1.00 0.00 C ATOM 92 CG1 VAL A 6 -0.302 2.539 -9.287 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.505 4.701 -10.529 1.00 0.00 C ATOM 0 H VAL A 6 0.489 3.079 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.022 5.773 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 6 1.218 4.055 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.018 2.044 -10.204 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.154 2.044 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.387 2.482 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.193 4.196 -11.443 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.591 4.658 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.185 5.742 -10.562 1.00 0.00 H new ATOM 103 N SER A 7 -2.315 3.620 -7.207 1.00 0.00 N ATOM 104 CA SER A 7 -3.796 3.494 -7.040 1.00 0.00 C ATOM 105 C SER A 7 -4.139 2.672 -5.797 1.00 0.00 C ATOM 106 O SER A 7 -3.386 1.820 -5.363 1.00 0.00 O ATOM 107 CB SER A 7 -4.395 2.818 -8.272 1.00 0.00 C ATOM 108 OG SER A 7 -5.800 2.680 -8.093 1.00 0.00 O ATOM 0 H SER A 7 -1.760 2.887 -6.766 1.00 0.00 H new ATOM 0 HA SER A 7 -4.213 4.494 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.186 3.409 -9.164 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.938 1.840 -8.424 1.00 0.00 H new ATOM 0 HG SER A 7 -6.189 2.248 -8.882 1.00 0.00 H new ATOM 114 N TYR A 8 -5.291 2.927 -5.238 1.00 0.00 N ATOM 115 CA TYR A 8 -5.739 2.180 -4.030 1.00 0.00 C ATOM 116 C TYR A 8 -7.264 2.245 -3.935 1.00 0.00 C ATOM 117 O TYR A 8 -7.845 3.291 -3.714 1.00 0.00 O ATOM 118 CB TYR A 8 -5.119 2.793 -2.773 1.00 0.00 C ATOM 119 CG TYR A 8 -5.680 2.095 -1.555 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.290 0.785 -1.261 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.597 2.755 -0.726 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.810 0.134 -0.137 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.117 2.105 0.399 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.723 0.794 0.693 1.00 0.00 C ATOM 125 OH TYR A 8 -7.234 0.153 1.802 1.00 0.00 O ATOM 0 H TYR A 8 -5.949 3.631 -5.573 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.419 1.141 -4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.034 2.689 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.336 3.860 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.586 0.275 -1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.902 3.765 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.507 -0.877 0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.822 2.614 1.040 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.575 -0.487 2.142 1.00 0.00 H new ATOM 135 N LEU A 9 -7.909 1.117 -4.107 1.00 0.00 N ATOM 136 CA LEU A 9 -9.405 1.062 -4.041 1.00 0.00 C ATOM 137 C LEU A 9 -9.831 0.205 -2.846 1.00 0.00 C ATOM 138 O LEU A 9 -9.567 -0.981 -2.782 1.00 0.00 O ATOM 139 CB LEU A 9 -9.943 0.453 -5.341 1.00 0.00 C ATOM 140 CG LEU A 9 -9.399 1.241 -6.543 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.925 0.625 -7.844 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.852 2.706 -6.450 1.00 0.00 C ATOM 0 H LEU A 9 -7.458 0.221 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.808 2.067 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.646 -0.593 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.033 0.476 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.310 1.198 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.538 1.186 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.598 -0.412 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.014 0.663 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.464 3.262 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.941 2.751 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.472 3.146 -5.528 1.00 0.00 H new ATOM 154 N ALA A 10 -10.490 0.819 -1.901 1.00 0.00 N ATOM 155 CA ALA A 10 -10.961 0.092 -0.684 1.00 0.00 C ATOM 156 C ALA A 10 -12.083 -0.883 -1.059 1.00 0.00 C ATOM 157 O ALA A 10 -12.199 -1.955 -0.500 1.00 0.00 O ATOM 158 CB ALA A 10 -11.492 1.110 0.330 1.00 0.00 C ATOM 0 H ALA A 10 -10.727 1.811 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.132 -0.468 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.838 0.588 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.695 1.803 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.321 1.664 -0.111 1.00 0.00 H new ATOM 164 N ALA A 11 -12.918 -0.502 -1.989 1.00 0.00 N ATOM 165 CA ALA A 11 -14.055 -1.382 -2.401 1.00 0.00 C ATOM 166 C ALA A 11 -13.516 -2.697 -2.963 1.00 0.00 C ATOM 167 O ALA A 11 -14.074 -3.755 -2.740 1.00 0.00 O ATOM 168 CB ALA A 11 -14.873 -0.672 -3.484 1.00 0.00 C ATOM 0 H ALA A 11 -12.862 0.387 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.683 -1.590 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.704 -1.309 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.261 0.267 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.237 -0.468 -4.345 1.00 0.00 H new ATOM 174 N LYS A 12 -12.434 -2.641 -3.691 1.00 0.00 N ATOM 175 CA LYS A 12 -11.843 -3.882 -4.277 1.00 0.00 C ATOM 176 C LYS A 12 -10.736 -4.387 -3.352 1.00 0.00 C ATOM 177 O LYS A 12 -9.977 -5.268 -3.706 1.00 0.00 O ATOM 178 CB LYS A 12 -11.255 -3.567 -5.655 1.00 0.00 C ATOM 179 CG LYS A 12 -12.385 -3.232 -6.635 1.00 0.00 C ATOM 180 CD LYS A 12 -11.792 -2.806 -7.986 1.00 0.00 C ATOM 181 CE LYS A 12 -11.311 -4.038 -8.762 1.00 0.00 C ATOM 182 NZ LYS A 12 -10.990 -3.650 -10.162 1.00 0.00 N ATOM 0 H LYS A 12 -11.929 -1.782 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.614 -4.645 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.563 -2.728 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.684 -4.420 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.032 -4.099 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.004 -2.431 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.541 -2.270 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.961 -2.119 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.430 -4.463 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.082 -4.809 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.664 -4.486 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.841 -3.264 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.241 -2.929 -10.159 1.00 0.00 H new ATOM 196 N LYS A 13 -10.659 -3.823 -2.168 1.00 0.00 N ATOM 197 CA LYS A 13 -9.619 -4.221 -1.159 1.00 0.00 C ATOM 198 C LYS A 13 -8.311 -4.586 -1.860 1.00 0.00 C ATOM 199 O LYS A 13 -7.521 -5.365 -1.365 1.00 0.00 O ATOM 200 CB LYS A 13 -10.128 -5.397 -0.309 1.00 0.00 C ATOM 201 CG LYS A 13 -10.234 -6.683 -1.141 1.00 0.00 C ATOM 202 CD LYS A 13 -10.775 -7.813 -0.260 1.00 0.00 C ATOM 203 CE LYS A 13 -10.882 -9.099 -1.085 1.00 0.00 C ATOM 204 NZ LYS A 13 -11.402 -10.200 -0.224 1.00 0.00 N ATOM 0 H LYS A 13 -11.288 -3.086 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.428 -3.376 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.453 -5.560 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.104 -5.150 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.893 -6.524 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.256 -6.954 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.116 -7.970 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.753 -7.542 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.546 -8.944 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.905 -9.368 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.475 -11.074 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.753 -10.353 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.342 -9.942 0.139 1.00 0.00 H new ATOM 218 N TYR A 14 -8.082 -4.017 -3.011 1.00 0.00 N ATOM 219 CA TYR A 14 -6.831 -4.307 -3.771 1.00 0.00 C ATOM 220 C TYR A 14 -6.331 -3.023 -4.432 1.00 0.00 C ATOM 221 O TYR A 14 -7.026 -2.392 -5.204 1.00 0.00 O ATOM 222 CB TYR A 14 -7.116 -5.370 -4.838 1.00 0.00 C ATOM 223 CG TYR A 14 -5.977 -5.406 -5.834 1.00 0.00 C ATOM 224 CD1 TYR A 14 -4.721 -5.877 -5.440 1.00 0.00 C ATOM 225 CD2 TYR A 14 -6.176 -4.955 -7.146 1.00 0.00 C ATOM 226 CE1 TYR A 14 -3.665 -5.899 -6.356 1.00 0.00 C ATOM 227 CE2 TYR A 14 -5.118 -4.977 -8.061 1.00 0.00 C ATOM 228 CZ TYR A 14 -3.863 -5.450 -7.666 1.00 0.00 C ATOM 229 OH TYR A 14 -2.820 -5.476 -8.568 1.00 0.00 O ATOM 0 H TYR A 14 -8.714 -3.356 -3.463 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.066 -4.681 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.234 -6.347 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.052 -5.146 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.567 -6.224 -4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.146 -4.591 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.695 -6.263 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.271 -4.629 -9.072 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.126 -5.131 -9.432 1.00 0.00 H new ATOM 239 N GLY A 15 -5.115 -2.650 -4.134 1.00 0.00 N ATOM 240 CA GLY A 15 -4.521 -1.412 -4.725 1.00 0.00 C ATOM 241 C GLY A 15 -3.351 -1.780 -5.635 1.00 0.00 C ATOM 242 O GLY A 15 -3.183 -2.917 -6.032 1.00 0.00 O ATOM 0 H GLY A 15 -4.499 -3.156 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.278 -0.870 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.181 -0.747 -3.931 1.00 0.00 H new ATOM 246 N PHE A 16 -2.538 -0.810 -5.966 1.00 0.00 N ATOM 247 CA PHE A 16 -1.367 -1.075 -6.851 1.00 0.00 C ATOM 248 C PHE A 16 -0.203 -0.164 -6.462 1.00 0.00 C ATOM 249 O PHE A 16 -0.361 1.031 -6.263 1.00 0.00 O ATOM 250 CB PHE A 16 -1.751 -0.816 -8.310 1.00 0.00 C ATOM 251 CG PHE A 16 -0.749 -1.495 -9.215 1.00 0.00 C ATOM 252 CD1 PHE A 16 0.518 -0.931 -9.411 1.00 0.00 C ATOM 253 CD2 PHE A 16 -1.085 -2.696 -9.849 1.00 0.00 C ATOM 254 CE1 PHE A 16 1.447 -1.568 -10.242 1.00 0.00 C ATOM 255 CE2 PHE A 16 -0.157 -3.332 -10.680 1.00 0.00 C ATOM 256 CZ PHE A 16 1.108 -2.770 -10.876 1.00 0.00 C ATOM 0 H PHE A 16 -2.636 0.158 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.064 -2.116 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.753 -1.196 -8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.771 0.256 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.778 -0.004 -8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.061 -3.132 -9.697 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.424 -1.133 -10.394 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.418 -4.258 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.824 -3.263 -11.517 1.00 0.00 H new ATOM 266 N ILE A 17 0.969 -0.736 -6.370 1.00 0.00 N ATOM 267 CA ILE A 17 2.192 0.041 -6.008 1.00 0.00 C ATOM 268 C ILE A 17 3.304 -0.277 -7.004 1.00 0.00 C ATOM 269 O ILE A 17 3.571 -1.423 -7.314 1.00 0.00 O ATOM 270 CB ILE A 17 2.644 -0.340 -4.598 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.582 0.093 -3.584 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.968 0.358 -4.280 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.894 -0.508 -2.208 1.00 0.00 C ATOM 0 H ILE A 17 1.133 -1.729 -6.534 1.00 0.00 H new ATOM 0 HA ILE A 17 1.968 1.107 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 17 2.780 -1.420 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.554 1.181 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.596 -0.232 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.290 0.086 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.725 0.048 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.833 1.438 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.133 -0.195 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.899 -1.596 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.872 -0.161 -1.873 1.00 0.00 H new ATOM 285 N GLN A 18 3.953 0.740 -7.510 1.00 0.00 N ATOM 286 CA GLN A 18 5.050 0.526 -8.500 1.00 0.00 C ATOM 287 C GLN A 18 6.404 0.638 -7.800 1.00 0.00 C ATOM 288 O GLN A 18 6.775 1.678 -7.287 1.00 0.00 O ATOM 289 CB GLN A 18 4.953 1.587 -9.600 1.00 0.00 C ATOM 290 CG GLN A 18 5.962 1.270 -10.710 1.00 0.00 C ATOM 291 CD GLN A 18 5.545 -0.017 -11.426 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.474 -0.090 -11.996 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.349 -1.045 -11.411 1.00 0.00 N ATOM 0 H GLN A 18 3.768 1.716 -7.278 1.00 0.00 H new ATOM 0 HA GLN A 18 4.954 -0.467 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.943 1.610 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.152 2.575 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.009 2.095 -11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.960 1.157 -10.287 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.248 -0.983 -10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.079 -1.911 -11.878 1.00 0.00 H new ATOM 302 N GLY A 19 7.140 -0.435 -7.796 1.00 0.00 N ATOM 303 CA GLY A 19 8.481 -0.441 -7.150 1.00 0.00 C ATOM 304 C GLY A 19 9.459 0.393 -7.975 1.00 0.00 C ATOM 305 O GLY A 19 9.234 0.675 -9.135 1.00 0.00 O ATOM 0 H GLY A 19 6.866 -1.322 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.409 -0.039 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.847 -1.464 -7.061 1.00 0.00 H new ATOM 309 N ASP A 20 10.545 0.789 -7.370 1.00 0.00 N ATOM 310 CA ASP A 20 11.563 1.614 -8.086 1.00 0.00 C ATOM 311 C ASP A 20 12.190 0.800 -9.224 1.00 0.00 C ATOM 312 O ASP A 20 12.510 1.325 -10.272 1.00 0.00 O ATOM 313 CB ASP A 20 12.650 2.029 -7.087 1.00 0.00 C ATOM 314 CG ASP A 20 13.735 2.838 -7.805 1.00 0.00 C ATOM 315 OD1 ASP A 20 13.507 3.223 -8.939 1.00 0.00 O ATOM 316 OD2 ASP A 20 14.774 3.058 -7.204 1.00 0.00 O ATOM 0 H ASP A 20 10.774 0.574 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 20 11.088 2.499 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.212 2.623 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.089 1.145 -6.625 1.00 0.00 H new ATOM 321 N ASP A 21 12.371 -0.478 -9.016 1.00 0.00 N ATOM 322 CA ASP A 21 12.983 -1.348 -10.067 1.00 0.00 C ATOM 323 C ASP A 21 11.879 -1.865 -10.999 1.00 0.00 C ATOM 324 O ASP A 21 12.104 -2.715 -11.840 1.00 0.00 O ATOM 325 CB ASP A 21 13.686 -2.529 -9.387 1.00 0.00 C ATOM 326 CG ASP A 21 14.855 -2.019 -8.532 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.315 -0.917 -8.780 1.00 0.00 O ATOM 328 OD2 ASP A 21 15.271 -2.746 -7.643 1.00 0.00 O ATOM 0 H ASP A 21 12.119 -0.962 -8.154 1.00 0.00 H new ATOM 0 HA ASP A 21 13.708 -0.780 -10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.978 -3.074 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.052 -3.228 -10.139 1.00 0.00 H new ATOM 333 N GLY A 22 10.688 -1.343 -10.852 1.00 0.00 N ATOM 334 CA GLY A 22 9.544 -1.772 -11.717 1.00 0.00 C ATOM 335 C GLY A 22 8.870 -3.007 -11.113 1.00 0.00 C ATOM 336 O GLY A 22 8.151 -3.723 -11.786 1.00 0.00 O ATOM 0 H GLY A 22 10.456 -0.629 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.822 -0.961 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.901 -1.996 -12.722 1.00 0.00 H new ATOM 340 N GLU A 23 9.094 -3.259 -9.852 1.00 0.00 N ATOM 341 CA GLU A 23 8.475 -4.451 -9.192 1.00 0.00 C ATOM 342 C GLU A 23 7.138 -4.063 -8.557 1.00 0.00 C ATOM 343 O GLU A 23 7.067 -3.236 -7.668 1.00 0.00 O ATOM 344 CB GLU A 23 9.421 -4.982 -8.113 1.00 0.00 C ATOM 345 CG GLU A 23 10.666 -5.575 -8.780 1.00 0.00 C ATOM 346 CD GLU A 23 11.662 -6.029 -7.709 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.360 -5.866 -6.538 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.709 -6.532 -8.079 1.00 0.00 O ATOM 0 H GLU A 23 9.682 -2.689 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 23 8.301 -5.225 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.706 -4.178 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.918 -5.741 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.385 -6.419 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.130 -4.833 -9.430 1.00 0.00 H new ATOM 355 N SER A 24 6.078 -4.669 -9.020 1.00 0.00 N ATOM 356 CA SER A 24 4.723 -4.365 -8.481 1.00 0.00 C ATOM 357 C SER A 24 4.488 -5.116 -7.171 1.00 0.00 C ATOM 358 O SER A 24 5.189 -6.054 -6.836 1.00 0.00 O ATOM 359 CB SER A 24 3.667 -4.792 -9.500 1.00 0.00 C ATOM 360 OG SER A 24 3.680 -6.208 -9.631 1.00 0.00 O ATOM 0 H SER A 24 6.095 -5.372 -9.759 1.00 0.00 H new ATOM 0 HA SER A 24 4.652 -3.294 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.681 -4.455 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.867 -4.325 -10.464 1.00 0.00 H new ATOM 0 HG SER A 24 3.002 -6.482 -10.283 1.00 0.00 H new ATOM 366 N TYR A 25 3.493 -4.700 -6.434 1.00 0.00 N ATOM 367 CA TYR A 25 3.171 -5.364 -5.136 1.00 0.00 C ATOM 368 C TYR A 25 1.658 -5.366 -4.920 1.00 0.00 C ATOM 369 O TYR A 25 0.945 -4.496 -5.388 1.00 0.00 O ATOM 370 CB TYR A 25 3.849 -4.610 -3.995 1.00 0.00 C ATOM 371 CG TYR A 25 5.343 -4.648 -4.192 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.067 -5.786 -3.821 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.005 -3.547 -4.750 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.454 -5.826 -4.007 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.392 -3.586 -4.936 1.00 0.00 C ATOM 376 CZ TYR A 25 8.116 -4.725 -4.563 1.00 0.00 C ATOM 377 OH TYR A 25 9.484 -4.763 -4.746 1.00 0.00 O ATOM 0 H TYR A 25 2.883 -3.920 -6.678 1.00 0.00 H new ATOM 0 HA TYR A 25 3.533 -6.392 -5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.500 -3.578 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.585 -5.061 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.556 -6.634 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.446 -2.669 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.013 -6.705 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.903 -2.738 -5.367 1.00 0.00 H new ATOM 0 HH TYR A 25 9.700 -5.383 -5.473 1.00 0.00 H new ATOM 387 N PHE A 26 1.169 -6.347 -4.212 1.00 0.00 N ATOM 388 CA PHE A 26 -0.297 -6.451 -3.947 1.00 0.00 C ATOM 389 C PHE A 26 -0.621 -5.872 -2.575 1.00 0.00 C ATOM 390 O PHE A 26 0.130 -6.016 -1.630 1.00 0.00 O ATOM 391 CB PHE A 26 -0.713 -7.924 -3.980 1.00 0.00 C ATOM 392 CG PHE A 26 -0.744 -8.407 -5.412 1.00 0.00 C ATOM 393 CD1 PHE A 26 0.448 -8.517 -6.137 1.00 0.00 C ATOM 394 CD2 PHE A 26 -1.963 -8.744 -6.015 1.00 0.00 C ATOM 395 CE1 PHE A 26 0.422 -8.965 -7.463 1.00 0.00 C ATOM 396 CE2 PHE A 26 -1.989 -9.191 -7.340 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.798 -9.300 -8.065 1.00 0.00 C ATOM 0 H PHE A 26 1.730 -7.092 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.839 -5.893 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.013 -8.524 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.695 -8.046 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.388 -8.256 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.883 -8.659 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.342 -9.052 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.929 -9.452 -7.803 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.819 -9.642 -9.089 1.00 0.00 H new ATOM 407 N LEU A 27 -1.751 -5.222 -2.467 1.00 0.00 N ATOM 408 CA LEU A 27 -2.172 -4.618 -1.166 1.00 0.00 C ATOM 409 C LEU A 27 -3.368 -5.377 -0.605 1.00 0.00 C ATOM 410 O LEU A 27 -4.370 -5.571 -1.266 1.00 0.00 O ATOM 411 CB LEU A 27 -2.552 -3.150 -1.385 1.00 0.00 C ATOM 412 CG LEU A 27 -1.277 -2.320 -1.597 1.00 0.00 C ATOM 413 CD1 LEU A 27 -1.654 -0.905 -2.050 1.00 0.00 C ATOM 414 CD2 LEU A 27 -0.464 -2.246 -0.285 1.00 0.00 C ATOM 0 H LEU A 27 -2.408 -5.082 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.346 -4.679 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.208 -3.058 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.105 -2.774 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.667 -2.798 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.748 -0.318 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.211 -0.959 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.272 -0.431 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.437 -1.655 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.069 -1.778 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.186 -3.252 0.028 1.00 0.00 H new ATOM 426 N HIS A 28 -3.256 -5.807 0.623 1.00 0.00 N ATOM 427 CA HIS A 28 -4.366 -6.561 1.275 1.00 0.00 C ATOM 428 C HIS A 28 -4.498 -6.132 2.739 1.00 0.00 C ATOM 429 O HIS A 28 -3.576 -5.612 3.340 1.00 0.00 O ATOM 430 CB HIS A 28 -4.067 -8.066 1.199 1.00 0.00 C ATOM 431 CG HIS A 28 -4.507 -8.597 -0.135 1.00 0.00 C ATOM 432 ND1 HIS A 28 -4.062 -8.055 -1.329 1.00 0.00 N ATOM 433 CD2 HIS A 28 -5.361 -9.614 -0.475 1.00 0.00 C ATOM 434 CE1 HIS A 28 -4.646 -8.743 -2.328 1.00 0.00 C ATOM 435 NE2 HIS A 28 -5.449 -9.704 -1.863 1.00 0.00 N ATOM 0 H HIS A 28 -2.433 -5.666 1.209 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.302 -6.348 0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.001 -8.243 1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.586 -8.592 2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.885 -10.248 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.485 -8.543 -3.377 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.007 -10.362 -2.407 1.00 0.00 H new ATOM 443 N PHE A 29 -5.644 -6.375 3.311 1.00 0.00 N ATOM 444 CA PHE A 29 -5.878 -6.022 4.742 1.00 0.00 C ATOM 445 C PHE A 29 -4.969 -6.878 5.621 1.00 0.00 C ATOM 446 O PHE A 29 -4.483 -6.443 6.646 1.00 0.00 O ATOM 447 CB PHE A 29 -7.345 -6.295 5.097 1.00 0.00 C ATOM 448 CG PHE A 29 -8.212 -5.164 4.590 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.122 -3.901 5.188 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.104 -5.374 3.532 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.921 -2.850 4.728 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.903 -4.322 3.072 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.812 -3.060 3.669 1.00 0.00 C ATOM 0 H PHE A 29 -6.440 -6.809 2.843 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.657 -4.967 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.666 -7.238 4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.455 -6.395 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.435 -3.739 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.175 -6.348 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.851 -1.876 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.591 -4.484 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.429 -2.248 3.313 1.00 0.00 H new ATOM 463 N SER A 30 -4.746 -8.097 5.218 1.00 0.00 N ATOM 464 CA SER A 30 -3.873 -9.011 6.005 1.00 0.00 C ATOM 465 C SER A 30 -2.462 -8.428 6.061 1.00 0.00 C ATOM 466 O SER A 30 -1.651 -8.810 6.883 1.00 0.00 O ATOM 467 CB SER A 30 -3.829 -10.376 5.314 1.00 0.00 C ATOM 468 OG SER A 30 -2.690 -11.097 5.769 1.00 0.00 O ATOM 0 H SER A 30 -5.136 -8.503 4.368 1.00 0.00 H new ATOM 0 HA SER A 30 -4.265 -9.122 7.016 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.739 -10.936 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.784 -10.248 4.233 1.00 0.00 H new ATOM 0 HG SER A 30 -2.660 -11.972 5.329 1.00 0.00 H new ATOM 474 N GLU A 31 -2.161 -7.509 5.179 1.00 0.00 N ATOM 475 CA GLU A 31 -0.802 -6.895 5.150 1.00 0.00 C ATOM 476 C GLU A 31 -0.802 -5.606 5.978 1.00 0.00 C ATOM 477 O GLU A 31 0.236 -5.117 6.380 1.00 0.00 O ATOM 478 CB GLU A 31 -0.450 -6.557 3.694 1.00 0.00 C ATOM 479 CG GLU A 31 -0.284 -7.854 2.895 1.00 0.00 C ATOM 480 CD GLU A 31 -0.086 -7.533 1.409 1.00 0.00 C ATOM 481 OE1 GLU A 31 -0.090 -6.362 1.067 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.062 -8.468 0.638 1.00 0.00 O ATOM 0 H GLU A 31 -2.806 -7.156 4.472 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.072 -7.590 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.235 -5.943 3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.470 -5.974 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.571 -8.416 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.163 -8.486 3.025 1.00 0.00 H new ATOM 489 N LEU A 32 -1.958 -5.052 6.241 1.00 0.00 N ATOM 490 CA LEU A 32 -2.026 -3.791 7.042 1.00 0.00 C ATOM 491 C LEU A 32 -1.971 -4.100 8.535 1.00 0.00 C ATOM 492 O LEU A 32 -2.551 -5.054 9.014 1.00 0.00 O ATOM 493 CB LEU A 32 -3.322 -3.032 6.711 1.00 0.00 C ATOM 494 CG LEU A 32 -3.138 -2.240 5.400 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.500 -2.014 4.733 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.487 -0.876 5.705 1.00 0.00 C ATOM 0 H LEU A 32 -2.859 -5.419 5.935 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.169 -3.169 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.150 -3.733 6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.576 -2.353 7.525 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.496 -2.809 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.364 -1.454 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.960 -2.977 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.146 -1.450 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.358 -0.319 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.127 -0.311 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.515 -1.033 6.172 1.00 0.00 H new ATOM 508 N LEU A 33 -1.272 -3.275 9.263 1.00 0.00 N ATOM 509 CA LEU A 33 -1.149 -3.469 10.732 1.00 0.00 C ATOM 510 C LEU A 33 -2.530 -3.337 11.366 1.00 0.00 C ATOM 511 O LEU A 33 -2.896 -4.090 12.249 1.00 0.00 O ATOM 512 CB LEU A 33 -0.227 -2.385 11.305 1.00 0.00 C ATOM 513 CG LEU A 33 1.212 -2.608 10.812 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.073 -1.391 11.174 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.807 -3.875 11.459 1.00 0.00 C ATOM 0 H LEU A 33 -0.774 -2.464 8.896 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.736 -4.455 10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.577 -1.399 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.255 -2.410 12.394 1.00 0.00 H new ATOM 0 HG LEU A 33 1.200 -2.737 9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.093 -1.550 10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.661 -0.500 10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.077 -1.257 12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.826 -4.022 11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.815 -3.760 12.543 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.200 -4.740 11.190 1.00 0.00 H new ATOM 527 N ASP A 34 -3.298 -2.380 10.920 1.00 0.00 N ATOM 528 CA ASP A 34 -4.667 -2.170 11.479 1.00 0.00 C ATOM 529 C ASP A 34 -5.643 -1.879 10.340 1.00 0.00 C ATOM 530 O ASP A 34 -5.275 -1.375 9.297 1.00 0.00 O ATOM 531 CB ASP A 34 -4.652 -0.986 12.452 1.00 0.00 C ATOM 532 CG ASP A 34 -5.924 -1.003 13.305 1.00 0.00 C ATOM 533 OD1 ASP A 34 -6.468 -2.076 13.508 1.00 0.00 O ATOM 534 OD2 ASP A 34 -6.329 0.059 13.745 1.00 0.00 O ATOM 0 H ASP A 34 -3.033 -1.726 10.183 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.981 -3.069 12.009 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.772 -1.041 13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.586 -0.049 11.899 1.00 0.00 H new ATOM 539 N LYS A 35 -6.887 -2.204 10.543 1.00 0.00 N ATOM 540 CA LYS A 35 -7.919 -1.961 9.496 1.00 0.00 C ATOM 541 C LYS A 35 -8.100 -0.457 9.306 1.00 0.00 C ATOM 542 O LYS A 35 -8.267 0.026 8.205 1.00 0.00 O ATOM 543 CB LYS A 35 -9.244 -2.582 9.951 1.00 0.00 C ATOM 544 CG LYS A 35 -9.082 -4.100 10.153 1.00 0.00 C ATOM 545 CD LYS A 35 -9.123 -4.825 8.799 1.00 0.00 C ATOM 546 CE LYS A 35 -9.067 -6.339 9.024 1.00 0.00 C ATOM 547 NZ LYS A 35 -9.158 -7.042 7.710 1.00 0.00 N ATOM 0 H LYS A 35 -7.238 -2.633 11.399 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.606 -2.410 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.571 -2.117 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.018 -2.388 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.138 -4.308 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.877 -4.475 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.033 -4.561 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.284 -4.508 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.139 -6.608 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.885 -6.651 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.976 -7.684 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.272 -6.342 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.289 -7.590 7.549 1.00 0.00 H new ATOM 561 N LYS A 36 -8.073 0.277 10.383 1.00 0.00 N ATOM 562 CA LYS A 36 -8.244 1.755 10.305 1.00 0.00 C ATOM 563 C LYS A 36 -7.076 2.358 9.519 1.00 0.00 C ATOM 564 O LYS A 36 -7.243 3.273 8.735 1.00 0.00 O ATOM 565 CB LYS A 36 -8.261 2.326 11.728 1.00 0.00 C ATOM 566 CG LYS A 36 -9.533 1.871 12.452 1.00 0.00 C ATOM 567 CD LYS A 36 -9.533 2.425 13.882 1.00 0.00 C ATOM 568 CE LYS A 36 -10.799 1.969 14.611 1.00 0.00 C ATOM 569 NZ LYS A 36 -10.789 2.505 16.002 1.00 0.00 N ATOM 0 H LYS A 36 -7.938 -0.089 11.326 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.179 1.999 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.380 1.991 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.220 3.415 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.415 2.221 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.583 0.782 12.472 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.649 2.078 14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.486 3.514 13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.684 2.320 14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.849 0.880 14.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.649 2.196 16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.951 2.149 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.760 3.544 15.973 1.00 0.00 H new ATOM 583 N ASP A 37 -5.891 1.846 9.731 1.00 0.00 N ATOM 584 CA ASP A 37 -4.693 2.380 9.016 1.00 0.00 C ATOM 585 C ASP A 37 -4.978 2.430 7.514 1.00 0.00 C ATOM 586 O ASP A 37 -4.222 2.998 6.751 1.00 0.00 O ATOM 587 CB ASP A 37 -3.490 1.465 9.277 1.00 0.00 C ATOM 588 CG ASP A 37 -3.015 1.636 10.722 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.408 2.607 11.345 1.00 0.00 O ATOM 590 OD2 ASP A 37 -2.264 0.789 11.182 1.00 0.00 O ATOM 0 H ASP A 37 -5.701 1.076 10.373 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.471 3.384 9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.765 0.426 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.681 1.706 8.587 1.00 0.00 H new ATOM 595 N GLU A 38 -6.069 1.852 7.094 1.00 0.00 N ATOM 596 CA GLU A 38 -6.431 1.869 5.647 1.00 0.00 C ATOM 597 C GLU A 38 -6.835 3.291 5.253 1.00 0.00 C ATOM 598 O GLU A 38 -6.571 3.750 4.158 1.00 0.00 O ATOM 599 CB GLU A 38 -7.616 0.917 5.414 1.00 0.00 C ATOM 600 CG GLU A 38 -8.903 1.533 5.988 1.00 0.00 C ATOM 601 CD GLU A 38 -9.987 0.460 6.107 1.00 0.00 C ATOM 602 OE1 GLU A 38 -10.357 -0.099 5.089 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.436 0.222 7.217 1.00 0.00 O ATOM 0 H GLU A 38 -6.732 1.364 7.696 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.581 1.548 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.737 0.728 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.420 -0.045 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.702 1.969 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.248 2.341 5.343 1.00 0.00 H new ATOM 610 N GLY A 39 -7.494 3.976 6.147 1.00 0.00 N ATOM 611 CA GLY A 39 -7.949 5.366 5.858 1.00 0.00 C ATOM 612 C GLY A 39 -6.801 6.335 6.122 1.00 0.00 C ATOM 613 O GLY A 39 -6.877 7.506 5.806 1.00 0.00 O ATOM 0 H GLY A 39 -7.739 3.629 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.277 5.446 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.805 5.619 6.484 1.00 0.00 H new ATOM 617 N LYS A 40 -5.735 5.851 6.700 1.00 0.00 N ATOM 618 CA LYS A 40 -4.565 6.732 6.992 1.00 0.00 C ATOM 619 C LYS A 40 -3.562 6.628 5.838 1.00 0.00 C ATOM 620 O LYS A 40 -2.523 7.260 5.844 1.00 0.00 O ATOM 621 CB LYS A 40 -3.902 6.283 8.301 1.00 0.00 C ATOM 622 CG LYS A 40 -4.870 6.504 9.466 1.00 0.00 C ATOM 623 CD LYS A 40 -4.186 6.127 10.785 1.00 0.00 C ATOM 624 CE LYS A 40 -5.186 6.252 11.936 1.00 0.00 C ATOM 625 NZ LYS A 40 -5.674 7.658 12.018 1.00 0.00 N ATOM 0 H LYS A 40 -5.623 4.878 6.984 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.895 7.766 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.626 5.230 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.983 6.845 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.187 7.546 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.767 5.901 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.805 5.107 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.330 6.778 10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.024 5.573 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.714 5.964 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.115 7.819 12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.874 8.311 11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.375 7.827 11.268 1.00 0.00 H new ATOM 639 N LEU A 41 -3.877 5.838 4.843 1.00 0.00 N ATOM 640 CA LEU A 41 -2.960 5.680 3.673 1.00 0.00 C ATOM 641 C LEU A 41 -2.965 6.959 2.849 1.00 0.00 C ATOM 642 O LEU A 41 -3.922 7.709 2.853 1.00 0.00 O ATOM 643 CB LEU A 41 -3.431 4.511 2.802 1.00 0.00 C ATOM 644 CG LEU A 41 -3.526 3.243 3.654 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.024 2.083 2.788 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.144 2.896 4.232 1.00 0.00 C ATOM 0 H LEU A 41 -4.737 5.292 4.791 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.950 5.480 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.402 4.740 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.736 4.356 1.977 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.224 3.413 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.092 1.180 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.008 2.325 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.327 1.917 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.219 1.993 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.440 2.729 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.792 3.720 4.852 1.00 0.00 H new ATOM 658 N VAL A 42 -1.889 7.221 2.147 1.00 0.00 N ATOM 659 CA VAL A 42 -1.801 8.467 1.324 1.00 0.00 C ATOM 660 C VAL A 42 -1.748 8.113 -0.160 1.00 0.00 C ATOM 661 O VAL A 42 -0.867 7.417 -0.626 1.00 0.00 O ATOM 662 CB VAL A 42 -0.543 9.246 1.724 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.705 8.363 1.594 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.404 10.471 0.818 1.00 0.00 C ATOM 0 H VAL A 42 -1.064 6.622 2.109 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.682 9.083 1.502 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.636 9.560 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.587 8.935 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.606 7.495 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.810 8.031 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.489 11.030 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.321 10.148 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.281 11.108 0.931 1.00 0.00 H new ATOM 674 N LYS A 43 -2.707 8.605 -0.900 1.00 0.00 N ATOM 675 CA LYS A 43 -2.766 8.333 -2.363 1.00 0.00 C ATOM 676 C LYS A 43 -2.017 9.417 -3.136 1.00 0.00 C ATOM 677 O LYS A 43 -2.159 10.599 -2.880 1.00 0.00 O ATOM 678 CB LYS A 43 -4.228 8.303 -2.829 1.00 0.00 C ATOM 679 CG LYS A 43 -4.271 7.943 -4.320 1.00 0.00 C ATOM 680 CD LYS A 43 -5.722 7.836 -4.794 1.00 0.00 C ATOM 681 CE LYS A 43 -5.742 7.445 -6.274 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.157 8.549 -7.088 1.00 0.00 N ATOM 0 H LYS A 43 -3.462 9.192 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.298 7.367 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.793 7.573 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.696 9.273 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.746 8.702 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.755 6.998 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.256 7.093 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.235 8.787 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.175 6.527 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.764 7.245 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.452 8.443 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.491 9.464 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.119 8.511 -7.030 1.00 0.00 H new ATOM 696 N GLY A 44 -1.245 9.008 -4.103 1.00 0.00 N ATOM 697 CA GLY A 44 -0.492 9.980 -4.947 1.00 0.00 C ATOM 698 C GLY A 44 0.821 10.380 -4.274 1.00 0.00 C ATOM 699 O GLY A 44 1.340 11.455 -4.509 1.00 0.00 O ATOM 0 H GLY A 44 -1.101 8.029 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.286 9.539 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.102 10.867 -5.121 1.00 0.00 H new ATOM 703 N SER A 45 1.369 9.534 -3.439 1.00 0.00 N ATOM 704 CA SER A 45 2.653 9.888 -2.758 1.00 0.00 C ATOM 705 C SER A 45 3.491 8.638 -2.475 1.00 0.00 C ATOM 706 O SER A 45 3.276 7.571 -3.028 1.00 0.00 O ATOM 707 CB SER A 45 2.354 10.599 -1.440 1.00 0.00 C ATOM 708 OG SER A 45 1.261 11.483 -1.626 1.00 0.00 O ATOM 0 H SER A 45 0.987 8.619 -3.200 1.00 0.00 H new ATOM 0 HA SER A 45 3.219 10.544 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.120 9.870 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.231 11.152 -1.104 1.00 0.00 H new ATOM 0 HG SER A 45 1.165 12.055 -0.836 1.00 0.00 H new ATOM 714 N MET A 46 4.466 8.795 -1.619 1.00 0.00 N ATOM 715 CA MET A 46 5.378 7.672 -1.269 1.00 0.00 C ATOM 716 C MET A 46 4.808 6.847 -0.118 1.00 0.00 C ATOM 717 O MET A 46 4.170 7.357 0.785 1.00 0.00 O ATOM 718 CB MET A 46 6.736 8.245 -0.868 1.00 0.00 C ATOM 719 CG MET A 46 7.392 8.878 -2.095 1.00 0.00 C ATOM 720 SD MET A 46 8.953 9.659 -1.614 1.00 0.00 S ATOM 721 CE MET A 46 9.828 8.151 -1.133 1.00 0.00 C ATOM 0 H MET A 46 4.671 9.672 -1.140 1.00 0.00 H new ATOM 0 HA MET A 46 5.486 7.019 -2.135 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.613 8.989 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.373 7.457 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.573 8.119 -2.856 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.724 9.618 -2.536 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.902 8.303 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.599 7.913 -0.094 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.512 7.327 -1.773 1.00 0.00 H new ATOM 731 N VAL A 47 5.053 5.566 -0.153 1.00 0.00 N ATOM 732 CA VAL A 47 4.558 4.653 0.917 1.00 0.00 C ATOM 733 C VAL A 47 5.685 3.716 1.335 1.00 0.00 C ATOM 734 O VAL A 47 6.652 3.535 0.618 1.00 0.00 O ATOM 735 CB VAL A 47 3.385 3.827 0.385 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.215 4.757 0.070 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.803 3.085 -0.891 1.00 0.00 C ATOM 0 H VAL A 47 5.585 5.105 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 47 4.228 5.240 1.774 1.00 0.00 H new ATOM 0 HB VAL A 47 3.086 3.100 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.377 4.172 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.911 5.280 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.520 5.484 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.962 2.499 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.106 3.807 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.638 2.420 -0.669 1.00 0.00 H new ATOM 747 N HIS A 48 5.566 3.118 2.493 1.00 0.00 N ATOM 748 CA HIS A 48 6.627 2.183 2.985 1.00 0.00 C ATOM 749 C HIS A 48 6.047 0.786 3.180 1.00 0.00 C ATOM 750 O HIS A 48 5.081 0.585 3.893 1.00 0.00 O ATOM 751 CB HIS A 48 7.184 2.695 4.311 1.00 0.00 C ATOM 752 CG HIS A 48 8.292 1.785 4.764 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.043 0.567 5.378 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.657 1.898 4.696 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.233 0.001 5.654 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.251 0.772 5.258 1.00 0.00 N ATOM 0 H HIS A 48 4.774 3.237 3.124 1.00 0.00 H new ATOM 0 HA HIS A 48 7.427 2.135 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.557 3.712 4.194 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.395 2.729 5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.191 2.735 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.351 -0.958 6.136 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.248 0.577 5.348 1.00 0.00 H new ATOM 764 N PHE A 49 6.651 -0.183 2.548 1.00 0.00 N ATOM 765 CA PHE A 49 6.181 -1.590 2.676 1.00 0.00 C ATOM 766 C PHE A 49 7.369 -2.534 2.530 1.00 0.00 C ATOM 767 O PHE A 49 8.389 -2.190 1.960 1.00 0.00 O ATOM 768 CB PHE A 49 5.134 -1.899 1.600 1.00 0.00 C ATOM 769 CG PHE A 49 5.742 -1.784 0.217 1.00 0.00 C ATOM 770 CD1 PHE A 49 5.772 -0.544 -0.433 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.263 -2.919 -0.419 1.00 0.00 C ATOM 772 CE1 PHE A 49 6.324 -0.437 -1.716 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.813 -2.811 -1.703 1.00 0.00 C ATOM 774 CZ PHE A 49 6.845 -1.570 -2.351 1.00 0.00 C ATOM 0 H PHE A 49 7.461 -0.057 1.941 1.00 0.00 H new ATOM 0 HA PHE A 49 5.724 -1.728 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.739 -2.904 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.295 -1.210 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.369 0.331 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.241 -3.876 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.348 0.520 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.213 -3.686 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.271 -1.487 -3.340 1.00 0.00 H new ATOM 784 N ASP A 50 7.244 -3.725 3.058 1.00 0.00 N ATOM 785 CA ASP A 50 8.356 -4.719 2.979 1.00 0.00 C ATOM 786 C ASP A 50 8.019 -5.776 1.920 1.00 0.00 C ATOM 787 O ASP A 50 6.865 -6.076 1.682 1.00 0.00 O ATOM 788 CB ASP A 50 8.524 -5.403 4.344 1.00 0.00 C ATOM 789 CG ASP A 50 9.323 -4.496 5.282 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.727 -3.600 5.855 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.517 -4.712 5.406 1.00 0.00 O ATOM 0 H ASP A 50 6.410 -4.054 3.545 1.00 0.00 H new ATOM 0 HA ASP A 50 9.281 -4.211 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.547 -5.618 4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.036 -6.358 4.222 1.00 0.00 H new ATOM 796 N PRO A 51 9.020 -6.341 1.295 1.00 0.00 N ATOM 797 CA PRO A 51 8.830 -7.384 0.250 1.00 0.00 C ATOM 798 C PRO A 51 8.278 -8.691 0.812 1.00 0.00 C ATOM 799 O PRO A 51 8.485 -9.034 1.962 1.00 0.00 O ATOM 800 CB PRO A 51 10.239 -7.584 -0.335 1.00 0.00 C ATOM 801 CG PRO A 51 11.176 -7.143 0.745 1.00 0.00 C ATOM 802 CD PRO A 51 10.447 -6.045 1.513 1.00 0.00 C ATOM 0 HA PRO A 51 8.095 -7.076 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.410 -8.626 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.377 -6.994 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.433 -7.974 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.109 -6.770 0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.701 -6.064 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.710 -5.055 1.140 1.00 0.00 H new ATOM 810 N THR A 52 7.585 -9.427 -0.013 1.00 0.00 N ATOM 811 CA THR A 52 7.015 -10.723 0.429 1.00 0.00 C ATOM 812 C THR A 52 6.883 -11.655 -0.794 1.00 0.00 C ATOM 813 O THR A 52 6.376 -11.250 -1.824 1.00 0.00 O ATOM 814 CB THR A 52 5.631 -10.485 1.050 1.00 0.00 C ATOM 815 OG1 THR A 52 5.623 -9.219 1.684 1.00 0.00 O ATOM 816 CG2 THR A 52 5.316 -11.580 2.079 1.00 0.00 C ATOM 0 H THR A 52 7.390 -9.180 -0.983 1.00 0.00 H new ATOM 0 HA THR A 52 7.667 -11.183 1.172 1.00 0.00 H new ATOM 0 HB THR A 52 4.873 -10.513 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.464 -8.520 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.332 -11.400 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.324 -12.553 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.068 -11.565 2.868 1.00 0.00 H new ATOM 824 N PRO A 53 7.326 -12.887 -0.691 1.00 0.00 N ATOM 825 CA PRO A 53 7.237 -13.866 -1.817 1.00 0.00 C ATOM 826 C PRO A 53 5.803 -14.357 -2.041 1.00 0.00 C ATOM 827 O PRO A 53 5.152 -14.015 -3.008 1.00 0.00 O ATOM 828 CB PRO A 53 8.139 -15.025 -1.353 1.00 0.00 C ATOM 829 CG PRO A 53 8.137 -14.954 0.143 1.00 0.00 C ATOM 830 CD PRO A 53 7.955 -13.484 0.503 1.00 0.00 C ATOM 0 HA PRO A 53 7.541 -13.428 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.757 -15.984 -1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.149 -14.921 -1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.331 -15.559 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.070 -15.341 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.325 -13.366 1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.910 -13.009 0.728 1.00 0.00 H new ATOM 838 N THR A 54 5.325 -15.159 -1.136 1.00 0.00 N ATOM 839 CA THR A 54 3.953 -15.709 -1.235 1.00 0.00 C ATOM 840 C THR A 54 3.795 -16.496 -2.550 1.00 0.00 C ATOM 841 O THR A 54 4.416 -16.178 -3.546 1.00 0.00 O ATOM 842 CB THR A 54 2.924 -14.576 -1.176 1.00 0.00 C ATOM 843 OG1 THR A 54 2.823 -13.950 -2.444 1.00 0.00 O ATOM 844 CG2 THR A 54 3.355 -13.555 -0.129 1.00 0.00 C ATOM 0 H THR A 54 5.843 -15.463 -0.312 1.00 0.00 H new ATOM 0 HA THR A 54 3.783 -16.383 -0.395 1.00 0.00 H new ATOM 0 HB THR A 54 1.951 -14.985 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.687 -13.555 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.624 -12.748 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.420 -14.039 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.330 -13.148 -0.398 1.00 0.00 H new ATOM 852 N PRO A 55 2.963 -17.511 -2.554 1.00 0.00 N ATOM 853 CA PRO A 55 2.721 -18.340 -3.769 1.00 0.00 C ATOM 854 C PRO A 55 2.497 -17.472 -5.015 1.00 0.00 C ATOM 855 O PRO A 55 2.906 -17.812 -6.108 1.00 0.00 O ATOM 856 CB PRO A 55 1.434 -19.114 -3.431 1.00 0.00 C ATOM 857 CG PRO A 55 1.369 -19.170 -1.935 1.00 0.00 C ATOM 858 CD PRO A 55 2.176 -17.985 -1.402 1.00 0.00 C ATOM 0 HA PRO A 55 3.571 -18.982 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.558 -18.613 -3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.457 -20.116 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.336 -19.117 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.778 -20.111 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.521 -17.201 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.824 -18.287 -0.579 1.00 0.00 H new ATOM 866 N LYS A 56 1.837 -16.358 -4.843 1.00 0.00 N ATOM 867 CA LYS A 56 1.558 -15.452 -5.995 1.00 0.00 C ATOM 868 C LYS A 56 2.878 -14.930 -6.559 1.00 0.00 C ATOM 869 O LYS A 56 3.059 -14.849 -7.758 1.00 0.00 O ATOM 870 CB LYS A 56 0.702 -14.275 -5.518 1.00 0.00 C ATOM 871 CG LYS A 56 -0.694 -14.777 -5.135 1.00 0.00 C ATOM 872 CD LYS A 56 -1.540 -13.605 -4.625 1.00 0.00 C ATOM 873 CE LYS A 56 -2.938 -14.106 -4.248 1.00 0.00 C ATOM 874 NZ LYS A 56 -3.755 -12.968 -3.736 1.00 0.00 N ATOM 0 H LYS A 56 1.476 -16.034 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 56 1.023 -15.999 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.174 -13.793 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.626 -13.525 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.175 -15.238 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.617 -15.545 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.061 -13.147 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.613 -12.835 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.422 -14.553 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.864 -14.885 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.704 -13.309 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.296 -12.561 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.836 -12.239 -4.474 1.00 0.00 H new ATOM 888 N GLY A 57 3.798 -14.575 -5.700 1.00 0.00 N ATOM 889 CA GLY A 57 5.123 -14.055 -6.163 1.00 0.00 C ATOM 890 C GLY A 57 5.365 -12.672 -5.564 1.00 0.00 C ATOM 891 O GLY A 57 6.149 -12.505 -4.649 1.00 0.00 O ATOM 0 H GLY A 57 3.688 -14.623 -4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.918 -14.737 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.144 -14.000 -7.251 1.00 0.00 H new ATOM 895 N LEU A 58 4.703 -11.676 -6.092 1.00 0.00 N ATOM 896 CA LEU A 58 4.887 -10.280 -5.587 1.00 0.00 C ATOM 897 C LEU A 58 3.810 -9.942 -4.567 1.00 0.00 C ATOM 898 O LEU A 58 2.628 -10.093 -4.809 1.00 0.00 O ATOM 899 CB LEU A 58 4.807 -9.299 -6.769 1.00 0.00 C ATOM 900 CG LEU A 58 6.159 -9.259 -7.501 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.220 -8.553 -6.627 1.00 0.00 C ATOM 902 CD2 LEU A 58 6.617 -10.692 -7.813 1.00 0.00 C ATOM 0 H LEU A 58 4.036 -11.769 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 58 5.862 -10.199 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.019 -9.606 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.547 -8.303 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 58 6.042 -8.702 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.172 -8.532 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.898 -7.533 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.339 -9.096 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.575 -10.663 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.725 -11.250 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.876 -11.181 -8.446 1.00 0.00 H new ATOM 914 N ALA A 59 4.227 -9.473 -3.427 1.00 0.00 N ATOM 915 CA ALA A 59 3.253 -9.105 -2.372 1.00 0.00 C ATOM 916 C ALA A 59 3.923 -8.203 -1.339 1.00 0.00 C ATOM 917 O ALA A 59 5.117 -8.271 -1.105 1.00 0.00 O ATOM 918 CB ALA A 59 2.735 -10.373 -1.697 1.00 0.00 C ATOM 0 H ALA A 59 5.206 -9.329 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 59 2.418 -8.567 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.018 -10.105 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.247 -11.006 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.569 -10.914 -1.250 1.00 0.00 H new ATOM 924 N ALA A 60 3.147 -7.363 -0.715 1.00 0.00 N ATOM 925 CA ALA A 60 3.687 -6.435 0.318 1.00 0.00 C ATOM 926 C ALA A 60 3.365 -6.981 1.708 1.00 0.00 C ATOM 927 O ALA A 60 2.481 -7.798 1.880 1.00 0.00 O ATOM 928 CB ALA A 60 3.041 -5.059 0.146 1.00 0.00 C ATOM 0 H ALA A 60 2.144 -7.278 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 60 4.768 -6.347 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.433 -4.376 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.268 -4.672 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.961 -5.147 0.263 1.00 0.00 H new ATOM 934 N LYS A 61 4.084 -6.535 2.699 1.00 0.00 N ATOM 935 CA LYS A 61 3.836 -7.019 4.088 1.00 0.00 C ATOM 936 C LYS A 61 4.189 -5.926 5.102 1.00 0.00 C ATOM 937 O LYS A 61 5.183 -5.235 4.976 1.00 0.00 O ATOM 938 CB LYS A 61 4.678 -8.272 4.346 1.00 0.00 C ATOM 939 CG LYS A 61 4.434 -8.769 5.773 1.00 0.00 C ATOM 940 CD LYS A 61 5.209 -10.068 6.005 1.00 0.00 C ATOM 941 CE LYS A 61 4.950 -10.562 7.430 1.00 0.00 C ATOM 942 NZ LYS A 61 5.691 -11.836 7.657 1.00 0.00 N ATOM 0 H LYS A 61 4.837 -5.853 2.608 1.00 0.00 H new ATOM 0 HA LYS A 61 2.780 -7.264 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.418 -9.051 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.735 -8.048 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.750 -8.012 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.369 -8.936 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.899 -10.824 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.275 -9.901 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.270 -9.810 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.882 -10.718 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.515 -12.172 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.366 -12.553 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.710 -11.673 7.527 1.00 0.00 H new ATOM 956 N ALA A 62 3.363 -5.785 6.106 1.00 0.00 N ATOM 957 CA ALA A 62 3.587 -4.759 7.173 1.00 0.00 C ATOM 958 C ALA A 62 3.656 -3.366 6.550 1.00 0.00 C ATOM 959 O ALA A 62 4.689 -2.729 6.530 1.00 0.00 O ATOM 960 CB ALA A 62 4.879 -5.065 7.933 1.00 0.00 C ATOM 0 H ALA A 62 2.524 -6.350 6.235 1.00 0.00 H new ATOM 0 HA ALA A 62 2.754 -4.789 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.033 -4.313 8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.805 -6.050 8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.721 -5.050 7.241 1.00 0.00 H new ATOM 966 N ILE A 63 2.546 -2.894 6.047 1.00 0.00 N ATOM 967 CA ILE A 63 2.514 -1.546 5.413 1.00 0.00 C ATOM 968 C ILE A 63 2.770 -0.478 6.473 1.00 0.00 C ATOM 969 O ILE A 63 2.266 -0.550 7.578 1.00 0.00 O ATOM 970 CB ILE A 63 1.141 -1.310 4.770 1.00 0.00 C ATOM 971 CG1 ILE A 63 0.697 -2.573 4.023 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.233 -0.142 3.784 1.00 0.00 C ATOM 973 CD1 ILE A 63 1.807 -3.041 3.086 1.00 0.00 C ATOM 0 H ILE A 63 1.654 -3.389 6.049 1.00 0.00 H new ATOM 0 HA ILE A 63 3.286 -1.490 4.646 1.00 0.00 H new ATOM 0 HB ILE A 63 0.414 -1.075 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.455 -3.361 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.210 -2.369 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.258 0.026 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.545 0.758 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.962 -0.377 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.484 -3.939 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.028 -2.256 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.703 -3.263 3.666 1.00 0.00 H new ATOM 985 N SER A 64 3.561 0.511 6.142 1.00 0.00 N ATOM 986 CA SER A 64 3.877 1.597 7.120 1.00 0.00 C ATOM 987 C SER A 64 3.712 2.965 6.464 1.00 0.00 C ATOM 988 O SER A 64 4.036 3.172 5.306 1.00 0.00 O ATOM 989 CB SER A 64 5.313 1.437 7.613 1.00 0.00 C ATOM 990 OG SER A 64 5.728 2.649 8.231 1.00 0.00 O ATOM 0 H SER A 64 4.005 0.614 5.229 1.00 0.00 H new ATOM 0 HA SER A 64 3.189 1.525 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.378 0.611 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.972 1.194 6.780 1.00 0.00 H new ATOM 0 HG SER A 64 6.649 2.554 8.552 1.00 0.00 H new ATOM 996 N LEU A 65 3.201 3.901 7.223 1.00 0.00 N ATOM 997 CA LEU A 65 2.977 5.285 6.716 1.00 0.00 C ATOM 998 C LEU A 65 3.919 6.252 7.464 1.00 0.00 C ATOM 999 O LEU A 65 3.591 6.740 8.529 1.00 0.00 O ATOM 1000 CB LEU A 65 1.516 5.686 6.971 1.00 0.00 C ATOM 1001 CG LEU A 65 1.018 5.097 8.309 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.020 6.039 8.929 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.369 3.723 8.066 1.00 0.00 C ATOM 0 H LEU A 65 2.924 3.758 8.194 1.00 0.00 H new ATOM 0 HA LEU A 65 3.183 5.329 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.429 6.772 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.888 5.331 6.154 1.00 0.00 H new ATOM 0 HG LEU A 65 1.865 4.984 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.371 5.623 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.434 7.013 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.863 6.152 8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.020 3.313 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.475 3.835 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.102 3.047 7.626 1.00 0.00 H new ATOM 1015 N PRO A 66 5.081 6.516 6.919 1.00 0.00 N ATOM 1016 CA PRO A 66 6.083 7.424 7.555 1.00 0.00 C ATOM 1017 C PRO A 66 5.720 8.902 7.364 1.00 0.00 C ATOM 1018 O PRO A 66 6.449 9.789 7.764 1.00 0.00 O ATOM 1019 CB PRO A 66 7.390 7.069 6.830 1.00 0.00 C ATOM 1020 CG PRO A 66 6.971 6.581 5.477 1.00 0.00 C ATOM 1021 CD PRO A 66 5.574 5.978 5.636 1.00 0.00 C ATOM 0 HA PRO A 66 6.143 7.292 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.044 7.937 6.750 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.944 6.302 7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.959 7.400 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.673 5.837 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.923 6.263 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.612 4.889 5.651 1.00 0.00 H new ATOM 1029 N LEU A 67 4.596 9.164 6.753 1.00 0.00 N ATOM 1030 CA LEU A 67 4.169 10.574 6.524 1.00 0.00 C ATOM 1031 C LEU A 67 3.662 11.193 7.825 1.00 0.00 C ATOM 1032 O LEU A 67 3.206 10.513 8.722 1.00 0.00 O ATOM 1033 CB LEU A 67 3.054 10.608 5.471 1.00 0.00 C ATOM 1034 CG LEU A 67 3.659 10.465 4.064 1.00 0.00 C ATOM 1035 CD1 LEU A 67 4.466 11.727 3.693 1.00 0.00 C ATOM 1036 CD2 LEU A 67 4.572 9.233 4.027 1.00 0.00 C ATOM 0 H LEU A 67 3.951 8.457 6.400 1.00 0.00 H new ATOM 0 HA LEU A 67 5.025 11.148 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.344 9.802 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.500 11.544 5.545 1.00 0.00 H new ATOM 0 HG LEU A 67 2.852 10.345 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.887 11.609 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.809 12.597 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.272 11.868 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.002 9.129 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.372 9.351 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.991 8.342 4.266 1.00 0.00 H new ATOM 1048 N GLU A 68 3.750 12.493 7.917 1.00 0.00 N ATOM 1049 CA GLU A 68 3.295 13.213 9.140 1.00 0.00 C ATOM 1050 C GLU A 68 1.978 12.623 9.641 1.00 0.00 C ATOM 1051 O GLU A 68 1.094 12.293 8.875 1.00 0.00 O ATOM 1052 CB GLU A 68 3.109 14.699 8.816 1.00 0.00 C ATOM 1053 CG GLU A 68 4.459 15.322 8.417 1.00 0.00 C ATOM 1054 CD GLU A 68 4.741 15.060 6.931 1.00 0.00 C ATOM 1055 OE1 GLU A 68 3.957 14.364 6.308 1.00 0.00 O ATOM 1056 OE2 GLU A 68 5.734 15.574 6.440 1.00 0.00 O ATOM 0 H GLU A 68 4.124 13.095 7.184 1.00 0.00 H new ATOM 0 HA GLU A 68 4.047 13.102 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.391 14.816 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.700 15.220 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.444 16.395 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.258 14.900 9.027 1.00 0.00 H new ATOM 1063 N HIS A 69 1.861 12.485 10.935 1.00 0.00 N ATOM 1064 CA HIS A 69 0.621 11.911 11.528 1.00 0.00 C ATOM 1065 C HIS A 69 -0.551 12.852 11.279 1.00 0.00 C ATOM 1066 O HIS A 69 -1.631 12.425 10.923 1.00 0.00 O ATOM 1067 CB HIS A 69 0.811 11.737 13.040 1.00 0.00 C ATOM 1068 CG HIS A 69 1.774 10.613 13.308 1.00 0.00 C ATOM 1069 ND1 HIS A 69 1.454 9.290 13.045 1.00 0.00 N ATOM 1070 CD2 HIS A 69 3.048 10.596 13.822 1.00 0.00 C ATOM 1071 CE1 HIS A 69 2.514 8.539 13.398 1.00 0.00 C ATOM 1072 NE2 HIS A 69 3.513 9.285 13.876 1.00 0.00 N ATOM 0 H HIS A 69 2.578 12.748 11.611 1.00 0.00 H new ATOM 0 HA HIS A 69 0.418 10.944 11.067 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.187 12.662 13.477 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.148 11.527 13.514 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.604 11.467 14.136 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.552 7.464 13.306 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.422 8.963 14.209 1.00 0.00 H new ATOM 1080 N HIS A 70 -0.345 14.132 11.463 1.00 0.00 N ATOM 1081 CA HIS A 70 -1.447 15.123 11.240 1.00 0.00 C ATOM 1082 C HIS A 70 -1.071 16.038 10.079 1.00 0.00 C ATOM 1083 O HIS A 70 -0.295 16.964 10.219 1.00 0.00 O ATOM 1084 CB HIS A 70 -1.661 15.948 12.510 1.00 0.00 C ATOM 1085 CG HIS A 70 -2.103 15.039 13.626 1.00 0.00 C ATOM 1086 ND1 HIS A 70 -3.397 14.549 13.711 1.00 0.00 N ATOM 1087 CD2 HIS A 70 -1.435 14.522 14.708 1.00 0.00 C ATOM 1088 CE1 HIS A 70 -3.466 13.776 14.811 1.00 0.00 C ATOM 1089 NE2 HIS A 70 -2.298 13.725 15.456 1.00 0.00 N ATOM 0 H HIS A 70 0.543 14.537 11.760 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.372 14.598 11.001 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.738 16.459 12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.412 16.719 12.335 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.397 14.706 14.944 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.358 13.260 15.133 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.084 13.213 16.312 1.00 0.00 H new ATOM 1097 N HIS A 71 -1.633 15.777 8.933 1.00 0.00 N ATOM 1098 CA HIS A 71 -1.344 16.611 7.736 1.00 0.00 C ATOM 1099 C HIS A 71 -1.948 18.002 7.937 1.00 0.00 C ATOM 1100 O HIS A 71 -1.362 19.005 7.581 1.00 0.00 O ATOM 1101 CB HIS A 71 -1.975 15.953 6.505 1.00 0.00 C ATOM 1102 CG HIS A 71 -1.176 14.739 6.115 1.00 0.00 C ATOM 1103 ND1 HIS A 71 -1.399 13.492 6.678 1.00 0.00 N ATOM 1104 CD2 HIS A 71 -0.151 14.568 5.218 1.00 0.00 C ATOM 1105 CE1 HIS A 71 -0.527 12.633 6.118 1.00 0.00 C ATOM 1106 NE2 HIS A 71 0.257 13.237 5.221 1.00 0.00 N ATOM 0 H HIS A 71 -2.288 15.012 8.774 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.267 16.698 7.593 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.005 15.669 6.720 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.006 16.662 5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.274 15.348 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.468 11.583 6.364 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.996 12.814 4.659 1.00 0.00 H new ATOM 1114 N HIS A 72 -3.128 18.057 8.497 1.00 0.00 N ATOM 1115 CA HIS A 72 -3.805 19.370 8.721 1.00 0.00 C ATOM 1116 C HIS A 72 -3.341 19.983 10.039 1.00 0.00 C ATOM 1117 O HIS A 72 -3.269 19.325 11.060 1.00 0.00 O ATOM 1118 CB HIS A 72 -5.322 19.171 8.755 1.00 0.00 C ATOM 1119 CG HIS A 72 -5.997 20.513 8.835 1.00 0.00 C ATOM 1120 ND1 HIS A 72 -6.257 21.141 10.043 1.00 0.00 N ATOM 1121 CD2 HIS A 72 -6.467 21.360 7.864 1.00 0.00 C ATOM 1122 CE1 HIS A 72 -6.860 22.312 9.769 1.00 0.00 C ATOM 1123 NE2 HIS A 72 -7.012 22.496 8.455 1.00 0.00 N ATOM 0 H HIS A 72 -3.656 17.243 8.811 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.545 20.044 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.651 18.638 7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.601 18.559 9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.421 21.174 6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.182 23.018 10.520 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.436 23.296 7.986 1.00 0.00 H new ATOM 1131 N HIS A 73 -3.020 21.252 10.010 1.00 0.00 N ATOM 1132 CA HIS A 73 -2.545 21.960 11.238 1.00 0.00 C ATOM 1133 C HIS A 73 -3.561 23.021 11.657 1.00 0.00 C ATOM 1134 O HIS A 73 -4.230 23.626 10.839 1.00 0.00 O ATOM 1135 CB HIS A 73 -1.203 22.633 10.947 1.00 0.00 C ATOM 1136 CG HIS A 73 -0.141 21.581 10.789 1.00 0.00 C ATOM 1137 ND1 HIS A 73 0.083 20.926 9.587 1.00 0.00 N ATOM 1138 CD2 HIS A 73 0.770 21.060 11.674 1.00 0.00 C ATOM 1139 CE1 HIS A 73 1.093 20.058 9.782 1.00 0.00 C ATOM 1140 NE2 HIS A 73 1.548 20.100 11.036 1.00 0.00 N ATOM 0 H HIS A 73 -3.068 21.836 9.175 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.430 21.237 12.045 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.274 23.233 10.040 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.940 23.312 11.759 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.868 21.352 12.709 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.488 19.406 9.016 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.304 19.547 11.440 1.00 0.00 H new ATOM 1148 N HIS A 74 -3.672 23.243 12.939 1.00 0.00 N ATOM 1149 CA HIS A 74 -4.636 24.255 13.462 1.00 0.00 C ATOM 1150 C HIS A 74 -4.064 24.893 14.733 1.00 0.00 C ATOM 1151 O HIS A 74 -3.145 24.323 15.299 1.00 0.00 O ATOM 1152 CB HIS A 74 -5.964 23.565 13.788 1.00 0.00 C ATOM 1153 CG HIS A 74 -5.778 22.600 14.930 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -5.190 21.355 14.763 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -6.106 22.682 16.262 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -5.183 20.744 15.962 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -5.731 21.509 16.911 1.00 0.00 N ATOM 1158 OXT HIS A 74 -4.554 25.942 15.119 1.00 0.00 O ATOM 0 H HIS A 74 -3.129 22.760 13.655 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.801 25.028 12.712 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.715 24.310 14.050 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.333 23.035 12.910 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.583 23.528 16.734 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.783 19.756 16.136 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.849 21.282 17.898 1.00 0.00 H new TER 1166 HIS A 74