USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= -0.217 K(o=0.98,f=-1.3!) USER MOD Set 1.2: B 3 U O2' : rot -36:sc= 1.2 USER MOD Set 2.1: A 59 ASN : amide:sc= -1.01 K(o=-1.2,f=-6.3!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.219 K(o=-1.2,f=-3.3) USER MOD Set 3.1: A 47 SER OG : rot -99:sc= 0.481 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -1.49 X(o=-1,f=-1.3) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 155:sc= 0.308 (180deg=0) USER MOD Set 4.2: A 13 SER OG : rot 160:sc= 0.289 USER MOD Set 5.1: A 4 ASN : amide:sc= 0.604 K(o=1.6,f=-3.5) USER MOD Set 5.2: A 30 LYS NZ :NH3+ -172:sc= 1.03 (180deg=-0.0812) USER MOD Single : A 3 SER OG : rot 180:sc= -0.426 USER MOD Single : A 6 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.636 K(o=0.64,f=-0.0023) USER MOD Single : A 16 SER OG : rot 94:sc= 0.552 USER MOD Single : A 22 ASN : amide:sc= 1.66 K(o=1.7,f=-2.3!) USER MOD Single : A 24 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.6) USER MOD Single : A 25 THR OG1 : rot -9:sc= 0.756 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc=-0.00736 (180deg=-0.196) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00871 USER MOD Single : A 38 SER OG : rot -30:sc= 0.175 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -153:sc= 0.749 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0183) USER MOD Single : A 46 CYS SG : rot 24:sc= 0.0721 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.779 K(o=0.78,f=-2.6) USER MOD Single : A 57 TYR OH : rot -26:sc= -0.83 USER MOD Single : A 74 MET CE :methyl -121:sc= -0.693 (180deg=-1.04) USER MOD Single : A 78 GLN : amide:sc= -0.64 K(o=-0.64,f=-0.055) USER MOD Single : A 83 ASN : amide:sc= -0.683 X(o=-0.68,f=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 1.59 (180deg=1.57) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0142) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 164:sc= -0.0244 (180deg=-0.311) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -35:sc= 1.56 USER MOD Single : B 1 U O5' : rot 180:sc= -0.0876 USER MOD Single : B 2 U O2' : rot 14:sc= 0.218 USER MOD Single : B 4 U O2' : rot 145:sc= 0.503 USER MOD Single : B 5 C O2' : rot -19:sc= 0.129 USER MOD Single : B 5 C O3' : rot 164:sc= 0.774 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.627 8.034 -4.119 1.00 0.00 N ATOM 2 CA ALA A 2 9.543 8.925 -4.572 1.00 0.00 C ATOM 3 C ALA A 2 9.566 10.251 -3.813 1.00 0.00 C ATOM 4 O ALA A 2 9.896 11.281 -4.398 1.00 0.00 O ATOM 5 CB ALA A 2 8.180 8.243 -4.467 1.00 0.00 C ATOM 0 HA ALA A 2 9.714 9.146 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.403 8.927 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.173 7.347 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.990 7.967 -3.430 1.00 0.00 H new ATOM 13 N SER A 3 9.222 10.235 -2.518 1.00 0.00 N ATOM 14 CA SER A 3 9.244 11.443 -1.691 1.00 0.00 C ATOM 15 C SER A 3 9.592 11.148 -0.235 1.00 0.00 C ATOM 16 O SER A 3 9.759 12.079 0.549 1.00 0.00 O ATOM 17 CB SER A 3 7.869 12.106 -1.742 1.00 0.00 C ATOM 18 OG SER A 3 6.941 11.308 -1.039 1.00 0.00 O ATOM 0 H SER A 3 8.925 9.395 -2.022 1.00 0.00 H new ATOM 0 HA SER A 3 10.016 12.100 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.916 13.102 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.550 12.229 -2.777 1.00 0.00 H new ATOM 0 HG SER A 3 6.058 11.731 -1.068 1.00 0.00 H new ATOM 24 N ASN A 4 9.701 9.865 0.125 1.00 0.00 N ATOM 25 CA ASN A 4 9.926 9.414 1.492 1.00 0.00 C ATOM 26 C ASN A 4 8.816 9.877 2.444 1.00 0.00 C ATOM 27 O ASN A 4 9.008 9.876 3.660 1.00 0.00 O ATOM 28 CB ASN A 4 11.329 9.826 1.954 1.00 0.00 C ATOM 29 CG ASN A 4 11.764 9.092 3.214 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.346 7.962 3.466 1.00 0.00 O ATOM 31 ND2 ASN A 4 12.611 9.725 4.019 1.00 0.00 N ATOM 0 H ASN A 4 9.633 9.099 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 4 9.880 8.325 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 4 12.044 9.627 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.347 10.900 2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.934 9.275 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.938 10.661 3.781 1.00 0.00 H new ATOM 38 N VAL A 5 7.651 10.270 1.910 1.00 0.00 N ATOM 39 CA VAL A 5 6.526 10.737 2.715 1.00 0.00 C ATOM 40 C VAL A 5 5.244 10.044 2.274 1.00 0.00 C ATOM 41 O VAL A 5 4.980 9.930 1.080 1.00 0.00 O ATOM 42 CB VAL A 5 6.415 12.262 2.605 1.00 0.00 C ATOM 43 CG1 VAL A 5 5.217 12.789 3.395 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.679 12.921 3.164 1.00 0.00 C ATOM 0 H VAL A 5 7.467 10.271 0.907 1.00 0.00 H new ATOM 0 HA VAL A 5 6.691 10.485 3.762 1.00 0.00 H new ATOM 0 HB VAL A 5 6.289 12.505 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.165 13.873 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.301 12.345 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.330 12.524 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.591 14.004 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.800 12.645 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.547 12.583 2.597 1.00 0.00 H new ATOM 54 N THR A 6 4.447 9.579 3.243 1.00 0.00 N ATOM 55 CA THR A 6 3.226 8.832 2.967 1.00 0.00 C ATOM 56 C THR A 6 2.147 9.077 4.021 1.00 0.00 C ATOM 57 O THR A 6 1.070 8.493 3.937 1.00 0.00 O ATOM 58 CB THR A 6 3.532 7.329 2.896 1.00 0.00 C ATOM 59 OG1 THR A 6 4.085 6.886 4.116 1.00 0.00 O ATOM 60 CG2 THR A 6 4.540 7.008 1.790 1.00 0.00 C ATOM 0 H THR A 6 4.634 9.712 4.237 1.00 0.00 H new ATOM 0 HA THR A 6 2.845 9.184 2.008 1.00 0.00 H new ATOM 0 HB THR A 6 2.589 6.825 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.367 6.739 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.731 5.935 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.136 7.321 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.472 7.539 1.982 1.00 0.00 H new ATOM 68 N ASN A 7 2.403 9.923 5.020 1.00 0.00 N ATOM 69 CA ASN A 7 1.449 10.130 6.099 1.00 0.00 C ATOM 70 C ASN A 7 0.654 11.418 5.884 1.00 0.00 C ATOM 71 O ASN A 7 1.134 12.511 6.181 1.00 0.00 O ATOM 72 CB ASN A 7 2.196 10.113 7.435 1.00 0.00 C ATOM 73 CG ASN A 7 1.258 10.144 8.631 1.00 0.00 C ATOM 74 OD1 ASN A 7 0.042 10.264 8.492 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.830 10.033 9.824 1.00 0.00 N ATOM 0 H ASN A 7 3.259 10.471 5.100 1.00 0.00 H new ATOM 0 HA ASN A 7 0.718 9.322 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.817 9.219 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.867 10.970 7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.257 10.046 10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.843 9.935 9.897 1.00 0.00 H new ATOM 82 N LYS A 8 -0.566 11.271 5.363 1.00 0.00 N ATOM 83 CA LYS A 8 -1.504 12.366 5.141 1.00 0.00 C ATOM 84 C LYS A 8 -2.925 11.876 5.404 1.00 0.00 C ATOM 85 O LYS A 8 -3.213 10.693 5.235 1.00 0.00 O ATOM 86 CB LYS A 8 -1.375 12.892 3.709 1.00 0.00 C ATOM 87 CG LYS A 8 -0.058 13.646 3.513 1.00 0.00 C ATOM 88 CD LYS A 8 -0.043 14.357 2.161 1.00 0.00 C ATOM 89 CE LYS A 8 0.037 13.352 1.008 1.00 0.00 C ATOM 90 NZ LYS A 8 -0.150 14.018 -0.295 1.00 0.00 N ATOM 0 H LYS A 8 -0.935 10.364 5.078 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.275 13.182 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.429 12.060 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.212 13.553 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.074 14.373 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.779 12.950 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.942 14.964 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.808 15.037 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.004 12.849 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.724 12.583 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.308 13.456 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.166 14.102 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.276 14.966 -0.265 1.00 0.00 H new ATOM 104 N THR A 9 -3.817 12.780 5.812 1.00 0.00 N ATOM 105 CA THR A 9 -5.195 12.430 6.153 1.00 0.00 C ATOM 106 C THR A 9 -6.203 13.254 5.355 1.00 0.00 C ATOM 107 O THR A 9 -7.377 13.320 5.719 1.00 0.00 O ATOM 108 CB THR A 9 -5.417 12.574 7.662 1.00 0.00 C ATOM 109 OG1 THR A 9 -5.103 13.885 8.084 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.532 11.587 8.423 1.00 0.00 C ATOM 0 H THR A 9 -3.605 13.772 5.915 1.00 0.00 H new ATOM 0 HA THR A 9 -5.359 11.388 5.879 1.00 0.00 H new ATOM 0 HB THR A 9 -6.466 12.365 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.251 13.962 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.699 11.699 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.780 10.569 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.485 11.788 8.196 1.00 0.00 H new ATOM 118 N ASP A 10 -5.750 13.883 4.268 1.00 0.00 N ATOM 119 CA ASP A 10 -6.610 14.671 3.397 1.00 0.00 C ATOM 120 C ASP A 10 -7.582 13.762 2.642 1.00 0.00 C ATOM 121 O ASP A 10 -7.314 12.570 2.482 1.00 0.00 O ATOM 122 CB ASP A 10 -5.747 15.503 2.444 1.00 0.00 C ATOM 123 CG ASP A 10 -4.837 16.458 3.212 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.310 17.566 3.543 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.673 16.075 3.461 1.00 0.00 O ATOM 0 H ASP A 10 -4.775 13.857 3.971 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.210 15.356 3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.143 14.840 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.389 16.071 1.771 1.00 0.00 H new ATOM 130 N PRO A 11 -8.710 14.320 2.178 1.00 0.00 N ATOM 131 CA PRO A 11 -9.807 13.577 1.576 1.00 0.00 C ATOM 132 C PRO A 11 -9.377 12.635 0.463 1.00 0.00 C ATOM 133 O PRO A 11 -9.967 11.570 0.282 1.00 0.00 O ATOM 134 CB PRO A 11 -10.699 14.650 0.969 1.00 0.00 C ATOM 135 CG PRO A 11 -10.498 15.847 1.894 1.00 0.00 C ATOM 136 CD PRO A 11 -9.017 15.740 2.229 1.00 0.00 C ATOM 0 HA PRO A 11 -10.281 12.950 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.408 14.881 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.742 14.336 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.738 16.789 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.124 15.785 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.412 16.298 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.807 16.152 3.216 1.00 0.00 H new ATOM 144 N ARG A 12 -8.344 13.030 -0.283 1.00 0.00 N ATOM 145 CA ARG A 12 -7.885 12.284 -1.440 1.00 0.00 C ATOM 146 C ARG A 12 -6.530 11.647 -1.177 1.00 0.00 C ATOM 147 O ARG A 12 -6.264 10.561 -1.678 1.00 0.00 O ATOM 148 CB ARG A 12 -7.870 13.242 -2.624 1.00 0.00 C ATOM 149 CG ARG A 12 -7.068 12.663 -3.782 1.00 0.00 C ATOM 150 CD ARG A 12 -7.337 13.518 -5.010 1.00 0.00 C ATOM 151 NE ARG A 12 -6.403 13.227 -6.103 1.00 0.00 N ATOM 152 CZ ARG A 12 -6.481 13.787 -7.314 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.457 14.645 -7.605 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.581 13.489 -8.243 1.00 0.00 N ATOM 0 H ARG A 12 -7.807 13.877 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.556 11.454 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.891 13.442 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.440 14.196 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.004 12.659 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.357 11.628 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.358 13.349 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.262 14.572 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.652 12.560 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.155 14.881 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.506 15.066 -8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.829 12.832 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.641 13.917 -9.167 1.00 0.00 H new ATOM 168 N SER A 13 -5.665 12.298 -0.395 1.00 0.00 N ATOM 169 CA SER A 13 -4.345 11.751 -0.110 1.00 0.00 C ATOM 170 C SER A 13 -4.426 10.459 0.699 1.00 0.00 C ATOM 171 O SER A 13 -3.529 9.625 0.602 1.00 0.00 O ATOM 172 CB SER A 13 -3.502 12.778 0.644 1.00 0.00 C ATOM 173 OG SER A 13 -3.229 13.894 -0.177 1.00 0.00 O ATOM 0 H SER A 13 -5.857 13.197 0.047 1.00 0.00 H new ATOM 0 HA SER A 13 -3.875 11.519 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.029 13.100 1.542 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.567 12.321 0.969 1.00 0.00 H new ATOM 0 HG SER A 13 -2.982 14.659 0.383 1.00 0.00 H new ATOM 179 N MET A 14 -5.484 10.273 1.494 1.00 0.00 N ATOM 180 CA MET A 14 -5.643 9.059 2.279 1.00 0.00 C ATOM 181 C MET A 14 -6.294 7.943 1.456 1.00 0.00 C ATOM 182 O MET A 14 -6.145 6.769 1.792 1.00 0.00 O ATOM 183 CB MET A 14 -6.440 9.404 3.542 1.00 0.00 C ATOM 184 CG MET A 14 -7.087 8.166 4.151 1.00 0.00 C ATOM 185 SD MET A 14 -7.749 8.399 5.818 1.00 0.00 S ATOM 186 CE MET A 14 -6.284 7.892 6.752 1.00 0.00 C ATOM 0 H MET A 14 -6.238 10.950 1.607 1.00 0.00 H new ATOM 0 HA MET A 14 -4.668 8.672 2.574 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.780 9.868 4.275 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.210 10.136 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.895 7.836 3.497 1.00 0.00 H new ATOM 0 HG3 MET A 14 -6.350 7.363 4.177 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.490 7.965 7.820 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.031 6.862 6.501 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.447 8.543 6.498 1.00 0.00 H new ATOM 196 N ASN A 15 -7.010 8.286 0.381 1.00 0.00 N ATOM 197 CA ASN A 15 -7.640 7.281 -0.464 1.00 0.00 C ATOM 198 C ASN A 15 -6.778 6.973 -1.689 1.00 0.00 C ATOM 199 O ASN A 15 -7.008 5.979 -2.371 1.00 0.00 O ATOM 200 CB ASN A 15 -9.054 7.736 -0.833 1.00 0.00 C ATOM 201 CG ASN A 15 -9.958 7.705 0.391 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.509 6.662 0.735 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.123 8.839 1.062 1.00 0.00 N ATOM 0 H ASN A 15 -7.164 9.249 0.081 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.726 6.344 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.022 8.745 -1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.460 7.088 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.721 8.860 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.652 9.689 0.751 1.00 0.00 H new ATOM 210 N SER A 16 -5.786 7.822 -1.973 1.00 0.00 N ATOM 211 CA SER A 16 -4.797 7.573 -3.011 1.00 0.00 C ATOM 212 C SER A 16 -3.579 6.841 -2.447 1.00 0.00 C ATOM 213 O SER A 16 -2.597 6.635 -3.159 1.00 0.00 O ATOM 214 CB SER A 16 -4.392 8.888 -3.673 1.00 0.00 C ATOM 215 OG SER A 16 -5.541 9.603 -4.065 1.00 0.00 O ATOM 0 H SER A 16 -5.651 8.706 -1.482 1.00 0.00 H new ATOM 0 HA SER A 16 -5.243 6.927 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.800 9.486 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.763 8.689 -4.541 1.00 0.00 H new ATOM 0 HG SER A 16 -5.787 10.238 -3.361 1.00 0.00 H new ATOM 221 N ARG A 17 -3.633 6.448 -1.166 1.00 0.00 N ATOM 222 CA ARG A 17 -2.554 5.733 -0.496 1.00 0.00 C ATOM 223 C ARG A 17 -2.890 4.250 -0.402 1.00 0.00 C ATOM 224 O ARG A 17 -4.064 3.875 -0.366 1.00 0.00 O ATOM 225 CB ARG A 17 -2.327 6.326 0.898 1.00 0.00 C ATOM 226 CG ARG A 17 -1.070 5.722 1.525 1.00 0.00 C ATOM 227 CD ARG A 17 -0.580 6.552 2.703 1.00 0.00 C ATOM 228 NE ARG A 17 -1.600 6.712 3.745 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.244 7.857 3.988 1.00 0.00 C ATOM 230 NH1 ARG A 17 -2.041 8.935 3.238 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.107 7.928 4.996 1.00 0.00 N ATOM 0 H ARG A 17 -4.439 6.623 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.636 5.841 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.225 7.409 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.191 6.127 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.280 4.705 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.283 5.655 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.303 6.079 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.273 7.535 2.347 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.831 5.901 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.383 8.898 2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.543 9.799 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.276 7.110 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.600 8.801 5.184 1.00 0.00 H new ATOM 245 N VAL A 18 -1.859 3.405 -0.360 1.00 0.00 N ATOM 246 CA VAL A 18 -2.020 1.967 -0.216 1.00 0.00 C ATOM 247 C VAL A 18 -1.145 1.463 0.921 1.00 0.00 C ATOM 248 O VAL A 18 0.033 1.806 1.010 1.00 0.00 O ATOM 249 CB VAL A 18 -1.694 1.257 -1.532 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.844 -0.254 -1.370 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.660 1.735 -2.613 1.00 0.00 C ATOM 0 H VAL A 18 -0.886 3.705 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.059 1.743 0.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.666 1.488 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.609 -0.746 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.161 -0.607 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.869 -0.489 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.432 1.232 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.683 1.503 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.556 2.812 -2.743 1.00 0.00 H new ATOM 261 N PHE A 19 -1.744 0.644 1.784 1.00 0.00 N ATOM 262 CA PHE A 19 -1.064 -0.012 2.887 1.00 0.00 C ATOM 263 C PHE A 19 -0.629 -1.409 2.452 1.00 0.00 C ATOM 264 O PHE A 19 -1.398 -2.128 1.819 1.00 0.00 O ATOM 265 CB PHE A 19 -2.014 -0.053 4.079 1.00 0.00 C ATOM 266 CG PHE A 19 -1.644 -1.042 5.158 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.572 -0.793 6.028 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.393 -2.217 5.289 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.268 -1.715 7.038 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.093 -3.135 6.299 1.00 0.00 C ATOM 271 CZ PHE A 19 -1.036 -2.882 7.180 1.00 0.00 C ATOM 0 H PHE A 19 -2.737 0.417 1.730 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.167 0.534 3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.061 0.942 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.015 -0.290 3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.017 0.106 5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.206 -2.415 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.558 -1.528 7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.676 -4.038 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.811 -3.584 7.969 1.00 0.00 H new ATOM 281 N ILE A 20 0.603 -1.787 2.797 1.00 0.00 N ATOM 282 CA ILE A 20 1.180 -3.072 2.432 1.00 0.00 C ATOM 283 C ILE A 20 1.604 -3.781 3.714 1.00 0.00 C ATOM 284 O ILE A 20 2.754 -3.684 4.134 1.00 0.00 O ATOM 285 CB ILE A 20 2.364 -2.861 1.476 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.913 -2.135 0.202 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.029 -4.194 1.105 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.111 -1.521 -0.521 1.00 0.00 C ATOM 0 H ILE A 20 1.232 -1.199 3.344 1.00 0.00 H new ATOM 0 HA ILE A 20 0.452 -3.692 1.908 1.00 0.00 H new ATOM 0 HB ILE A 20 3.096 -2.244 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.402 -2.834 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.196 -1.354 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.863 -4.009 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.397 -4.681 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.300 -4.840 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.770 -1.011 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.605 -0.805 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.814 -2.308 -0.794 1.00 0.00 H new ATOM 300 N GLY A 21 0.664 -4.495 4.331 1.00 0.00 N ATOM 301 CA GLY A 21 0.920 -5.258 5.537 1.00 0.00 C ATOM 302 C GLY A 21 1.501 -6.628 5.202 1.00 0.00 C ATOM 303 O GLY A 21 1.582 -7.008 4.035 1.00 0.00 O ATOM 0 H GLY A 21 -0.299 -4.556 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.612 -4.712 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.006 -5.379 6.099 1.00 0.00 H new ATOM 307 N ASN A 22 1.902 -7.367 6.242 1.00 0.00 N ATOM 308 CA ASN A 22 2.463 -8.703 6.098 1.00 0.00 C ATOM 309 C ASN A 22 3.589 -8.719 5.061 1.00 0.00 C ATOM 310 O ASN A 22 3.673 -9.632 4.244 1.00 0.00 O ATOM 311 CB ASN A 22 1.340 -9.698 5.798 1.00 0.00 C ATOM 312 CG ASN A 22 1.734 -11.129 6.135 1.00 0.00 C ATOM 313 OD1 ASN A 22 1.759 -11.510 7.303 1.00 0.00 O ATOM 314 ND2 ASN A 22 2.042 -11.933 5.125 1.00 0.00 N ATOM 0 H ASN A 22 1.844 -7.048 7.209 1.00 0.00 H new ATOM 0 HA ASN A 22 2.927 -9.013 7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.452 -9.424 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.074 -9.635 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.310 -12.900 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.011 -11.584 4.167 1.00 0.00 H new ATOM 321 N LEU A 23 4.457 -7.705 5.091 1.00 0.00 N ATOM 322 CA LEU A 23 5.583 -7.585 4.179 1.00 0.00 C ATOM 323 C LEU A 23 6.833 -8.178 4.836 1.00 0.00 C ATOM 324 O LEU A 23 7.005 -8.053 6.046 1.00 0.00 O ATOM 325 CB LEU A 23 5.740 -6.106 3.813 1.00 0.00 C ATOM 326 CG LEU A 23 6.860 -5.822 2.807 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.650 -6.555 1.486 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.902 -4.323 2.527 1.00 0.00 C ATOM 0 H LEU A 23 4.392 -6.938 5.760 1.00 0.00 H new ATOM 0 HA LEU A 23 5.420 -8.144 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.798 -5.743 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.931 -5.537 4.723 1.00 0.00 H new ATOM 0 HG LEU A 23 7.795 -6.174 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.470 -6.322 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.623 -7.630 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.707 -6.238 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.696 -4.109 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.945 -4.003 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.095 -3.785 3.455 1.00 0.00 H new ATOM 340 N ASN A 24 7.704 -8.820 4.051 1.00 0.00 N ATOM 341 CA ASN A 24 8.894 -9.446 4.612 1.00 0.00 C ATOM 342 C ASN A 24 9.879 -8.402 5.136 1.00 0.00 C ATOM 343 O ASN A 24 10.524 -8.619 6.156 1.00 0.00 O ATOM 344 CB ASN A 24 9.564 -10.312 3.539 1.00 0.00 C ATOM 345 CG ASN A 24 10.657 -11.185 4.146 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.485 -11.752 5.221 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.788 -11.296 3.457 1.00 0.00 N ATOM 0 H ASN A 24 7.606 -8.917 3.040 1.00 0.00 H new ATOM 0 HA ASN A 24 8.593 -10.068 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.817 -10.942 3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.991 -9.674 2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.551 -11.868 3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.893 -10.809 2.567 1.00 0.00 H new ATOM 354 N THR A 25 9.977 -7.276 4.422 1.00 0.00 N ATOM 355 CA THR A 25 10.833 -6.125 4.726 1.00 0.00 C ATOM 356 C THR A 25 12.301 -6.463 4.989 1.00 0.00 C ATOM 357 O THR A 25 13.068 -5.594 5.405 1.00 0.00 O ATOM 358 CB THR A 25 10.235 -5.257 5.840 1.00 0.00 C ATOM 359 OG1 THR A 25 10.209 -5.928 7.079 1.00 0.00 O ATOM 360 CG2 THR A 25 8.813 -4.857 5.473 1.00 0.00 C ATOM 0 H THR A 25 9.432 -7.136 3.571 1.00 0.00 H new ATOM 0 HA THR A 25 10.851 -5.540 3.807 1.00 0.00 H new ATOM 0 HB THR A 25 10.870 -4.377 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.450 -6.869 6.947 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.392 -4.240 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.823 -4.291 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.204 -5.752 5.347 1.00 0.00 H new ATOM 368 N LEU A 26 12.703 -7.713 4.748 1.00 0.00 N ATOM 369 CA LEU A 26 14.085 -8.157 4.893 1.00 0.00 C ATOM 370 C LEU A 26 14.762 -8.305 3.533 1.00 0.00 C ATOM 371 O LEU A 26 15.986 -8.406 3.462 1.00 0.00 O ATOM 372 CB LEU A 26 14.104 -9.487 5.649 1.00 0.00 C ATOM 373 CG LEU A 26 14.393 -9.302 7.145 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.321 -8.474 7.845 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.463 -10.671 7.814 1.00 0.00 C ATOM 0 H LEU A 26 12.068 -8.451 4.443 1.00 0.00 H new ATOM 0 HA LEU A 26 14.642 -7.407 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.143 -9.986 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.860 -10.140 5.213 1.00 0.00 H new ATOM 0 HG LEU A 26 15.340 -8.770 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.572 -8.372 8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.268 -7.486 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.356 -8.971 7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.668 -10.546 8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.512 -11.188 7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.259 -11.259 7.357 1.00 0.00 H new ATOM 387 N VAL A 27 13.974 -8.320 2.451 1.00 0.00 N ATOM 388 CA VAL A 27 14.495 -8.423 1.090 1.00 0.00 C ATOM 389 C VAL A 27 13.936 -7.300 0.215 1.00 0.00 C ATOM 390 O VAL A 27 14.494 -7.000 -0.839 1.00 0.00 O ATOM 391 CB VAL A 27 14.162 -9.810 0.524 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.697 -9.990 -0.897 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.783 -10.902 1.399 1.00 0.00 C ATOM 0 H VAL A 27 12.957 -8.261 2.499 1.00 0.00 H new ATOM 0 HA VAL A 27 15.579 -8.309 1.101 1.00 0.00 H new ATOM 0 HB VAL A 27 13.075 -9.891 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.439 -10.985 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.253 -9.239 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.781 -9.874 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.539 -11.881 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.866 -10.777 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.387 -10.826 2.412 1.00 0.00 H new ATOM 403 N VAL A 28 12.838 -6.671 0.646 1.00 0.00 N ATOM 404 CA VAL A 28 12.234 -5.551 -0.071 1.00 0.00 C ATOM 405 C VAL A 28 12.460 -4.257 0.710 1.00 0.00 C ATOM 406 O VAL A 28 12.424 -4.260 1.939 1.00 0.00 O ATOM 407 CB VAL A 28 10.745 -5.814 -0.315 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.087 -4.653 -1.059 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.582 -7.075 -1.158 1.00 0.00 C ATOM 0 H VAL A 28 12.345 -6.926 1.502 1.00 0.00 H new ATOM 0 HA VAL A 28 12.709 -5.445 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 28 10.265 -5.930 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.031 -4.873 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.184 -3.741 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.576 -4.515 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.522 -7.262 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.088 -6.942 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.019 -7.924 -0.632 1.00 0.00 H new ATOM 419 N LYS A 29 12.694 -3.160 -0.017 1.00 0.00 N ATOM 420 CA LYS A 29 12.974 -1.856 0.569 1.00 0.00 C ATOM 421 C LYS A 29 12.185 -0.775 -0.158 1.00 0.00 C ATOM 422 O LYS A 29 11.536 -1.033 -1.171 1.00 0.00 O ATOM 423 CB LYS A 29 14.478 -1.550 0.503 1.00 0.00 C ATOM 424 CG LYS A 29 15.345 -2.544 1.289 1.00 0.00 C ATOM 425 CD LYS A 29 15.788 -3.736 0.429 1.00 0.00 C ATOM 426 CE LYS A 29 16.609 -4.724 1.257 1.00 0.00 C ATOM 427 NZ LYS A 29 17.867 -4.120 1.737 1.00 0.00 N ATOM 0 H LYS A 29 12.693 -3.158 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 29 12.669 -1.872 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.795 -1.551 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.653 -0.545 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.225 -2.030 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.786 -2.908 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.913 -4.238 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.379 -3.382 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.020 -5.063 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.834 -5.604 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.487 -4.864 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.345 -3.640 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.657 -3.430 2.486 1.00 0.00 H new ATOM 441 N LYS A 30 12.242 0.451 0.367 1.00 0.00 N ATOM 442 CA LYS A 30 11.543 1.609 -0.183 1.00 0.00 C ATOM 443 C LYS A 30 12.066 2.005 -1.564 1.00 0.00 C ATOM 444 O LYS A 30 11.514 2.900 -2.201 1.00 0.00 O ATOM 445 CB LYS A 30 11.650 2.760 0.815 1.00 0.00 C ATOM 446 CG LYS A 30 13.110 3.099 1.127 1.00 0.00 C ATOM 447 CD LYS A 30 13.240 3.504 2.595 1.00 0.00 C ATOM 448 CE LYS A 30 12.404 4.742 2.925 1.00 0.00 C ATOM 449 NZ LYS A 30 12.877 5.931 2.194 1.00 0.00 N ATOM 0 H LYS A 30 12.786 0.668 1.202 1.00 0.00 H new ATOM 0 HA LYS A 30 10.495 1.351 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.149 3.640 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.133 2.493 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.746 2.239 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.451 3.910 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.926 2.675 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.287 3.702 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.360 4.553 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.446 4.934 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.378 6.774 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.899 6.047 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.688 5.812 1.178 1.00 0.00 H new ATOM 463 N SER A 31 13.126 1.341 -2.024 1.00 0.00 N ATOM 464 CA SER A 31 13.685 1.535 -3.356 1.00 0.00 C ATOM 465 C SER A 31 13.175 0.465 -4.322 1.00 0.00 C ATOM 466 O SER A 31 13.338 0.588 -5.536 1.00 0.00 O ATOM 467 CB SER A 31 15.207 1.477 -3.266 1.00 0.00 C ATOM 468 OG SER A 31 15.608 0.266 -2.656 1.00 0.00 O ATOM 0 H SER A 31 13.626 0.644 -1.472 1.00 0.00 H new ATOM 0 HA SER A 31 13.372 2.507 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.642 1.554 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.578 2.325 -2.690 1.00 0.00 H new ATOM 0 HG SER A 31 16.586 0.235 -2.603 1.00 0.00 H new ATOM 474 N ASP A 32 12.557 -0.585 -3.774 1.00 0.00 N ATOM 475 CA ASP A 32 11.983 -1.681 -4.532 1.00 0.00 C ATOM 476 C ASP A 32 10.471 -1.529 -4.654 1.00 0.00 C ATOM 477 O ASP A 32 9.892 -1.878 -5.679 1.00 0.00 O ATOM 478 CB ASP A 32 12.324 -2.983 -3.814 1.00 0.00 C ATOM 479 CG ASP A 32 13.815 -3.296 -3.872 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.336 -3.417 -5.004 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.424 -3.416 -2.787 1.00 0.00 O ATOM 0 H ASP A 32 12.443 -0.691 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 32 12.395 -1.683 -5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.008 -2.916 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.764 -3.802 -4.265 1.00 0.00 H new ATOM 486 N VAL A 33 9.820 -1.001 -3.614 1.00 0.00 N ATOM 487 CA VAL A 33 8.376 -0.804 -3.637 1.00 0.00 C ATOM 488 C VAL A 33 8.017 0.191 -4.739 1.00 0.00 C ATOM 489 O VAL A 33 6.958 0.082 -5.352 1.00 0.00 O ATOM 490 CB VAL A 33 7.922 -0.310 -2.262 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.445 0.073 -2.269 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.110 -1.413 -1.222 1.00 0.00 C ATOM 0 H VAL A 33 10.273 -0.704 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 33 7.863 -1.741 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 33 8.525 0.564 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.154 0.420 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.279 0.869 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.845 -0.796 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.784 -1.052 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.517 -2.283 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.163 -1.691 -1.173 1.00 0.00 H new ATOM 502 N GLU A 34 8.896 1.160 -5.002 1.00 0.00 N ATOM 503 CA GLU A 34 8.670 2.152 -6.047 1.00 0.00 C ATOM 504 C GLU A 34 8.999 1.604 -7.438 1.00 0.00 C ATOM 505 O GLU A 34 9.006 2.356 -8.413 1.00 0.00 O ATOM 506 CB GLU A 34 9.434 3.440 -5.737 1.00 0.00 C ATOM 507 CG GLU A 34 10.949 3.215 -5.737 1.00 0.00 C ATOM 508 CD GLU A 34 11.724 4.515 -5.503 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.076 5.567 -5.303 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.973 4.449 -5.527 1.00 0.00 O ATOM 0 H GLU A 34 9.776 1.276 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 34 7.607 2.392 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.179 4.201 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.123 3.822 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.208 2.494 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.251 2.780 -6.690 1.00 0.00 H new ATOM 517 N ALA A 35 9.271 0.299 -7.539 1.00 0.00 N ATOM 518 CA ALA A 35 9.541 -0.365 -8.808 1.00 0.00 C ATOM 519 C ALA A 35 8.641 -1.587 -9.002 1.00 0.00 C ATOM 520 O ALA A 35 8.633 -2.187 -10.074 1.00 0.00 O ATOM 521 CB ALA A 35 11.020 -0.752 -8.859 1.00 0.00 C ATOM 0 H ALA A 35 9.309 -0.326 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 35 9.318 0.321 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.233 -1.250 -9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.634 0.145 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.248 -1.427 -8.034 1.00 0.00 H new ATOM 527 N ILE A 36 7.880 -1.960 -7.966 1.00 0.00 N ATOM 528 CA ILE A 36 6.955 -3.086 -8.020 1.00 0.00 C ATOM 529 C ILE A 36 5.507 -2.597 -8.005 1.00 0.00 C ATOM 530 O ILE A 36 4.624 -3.267 -8.530 1.00 0.00 O ATOM 531 CB ILE A 36 7.233 -4.009 -6.824 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.663 -4.559 -6.918 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.227 -5.165 -6.788 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.123 -5.145 -5.583 1.00 0.00 C ATOM 0 H ILE A 36 7.893 -1.483 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 36 7.103 -3.638 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 36 7.127 -3.433 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.709 -5.327 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.342 -3.762 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.441 -5.807 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.217 -4.766 -6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.307 -5.745 -7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.139 -5.526 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.100 -4.369 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.458 -5.959 -5.294 1.00 0.00 H new ATOM 546 N PHE A 37 5.265 -1.427 -7.405 1.00 0.00 N ATOM 547 CA PHE A 37 3.934 -0.848 -7.331 1.00 0.00 C ATOM 548 C PHE A 37 3.777 0.282 -8.345 1.00 0.00 C ATOM 549 O PHE A 37 2.670 0.781 -8.547 1.00 0.00 O ATOM 550 CB PHE A 37 3.685 -0.382 -5.896 1.00 0.00 C ATOM 551 CG PHE A 37 3.482 -1.513 -4.915 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.585 -2.196 -4.385 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.184 -1.886 -4.533 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.395 -3.254 -3.488 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.989 -2.942 -3.632 1.00 0.00 C ATOM 556 CZ PHE A 37 3.098 -3.625 -3.111 1.00 0.00 C ATOM 0 H PHE A 37 5.989 -0.862 -6.961 1.00 0.00 H new ATOM 0 HA PHE A 37 3.183 -1.595 -7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.530 0.223 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.806 0.263 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.585 -1.905 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.332 -1.357 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.247 -3.783 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.989 -3.228 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.951 -4.439 -2.417 1.00 0.00 H new ATOM 566 N SER A 38 4.874 0.693 -8.986 1.00 0.00 N ATOM 567 CA SER A 38 4.851 1.782 -9.956 1.00 0.00 C ATOM 568 C SER A 38 4.214 1.334 -11.271 1.00 0.00 C ATOM 569 O SER A 38 3.909 2.155 -12.135 1.00 0.00 O ATOM 570 CB SER A 38 6.279 2.283 -10.176 1.00 0.00 C ATOM 571 OG SER A 38 6.282 3.438 -10.987 1.00 0.00 O ATOM 0 H SER A 38 5.796 0.281 -8.846 1.00 0.00 H new ATOM 0 HA SER A 38 4.241 2.597 -9.568 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.744 2.506 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.876 1.501 -10.645 1.00 0.00 H new ATOM 0 HG SER A 38 5.520 3.408 -11.602 1.00 0.00 H new ATOM 577 N LYS A 39 4.002 0.021 -11.430 1.00 0.00 N ATOM 578 CA LYS A 39 3.391 -0.545 -12.628 1.00 0.00 C ATOM 579 C LYS A 39 1.865 -0.484 -12.574 1.00 0.00 C ATOM 580 O LYS A 39 1.211 -0.719 -13.587 1.00 0.00 O ATOM 581 CB LYS A 39 3.895 -1.974 -12.796 1.00 0.00 C ATOM 582 CG LYS A 39 3.377 -2.852 -11.658 1.00 0.00 C ATOM 583 CD LYS A 39 4.218 -4.124 -11.555 1.00 0.00 C ATOM 584 CE LYS A 39 4.117 -4.942 -12.838 1.00 0.00 C ATOM 585 NZ LYS A 39 4.902 -6.185 -12.733 1.00 0.00 N ATOM 0 H LYS A 39 4.252 -0.675 -10.727 1.00 0.00 H new ATOM 0 HA LYS A 39 3.681 0.047 -13.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.563 -2.374 -13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.985 -1.984 -12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.416 -2.303 -10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.333 -3.110 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.259 -3.863 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.880 -4.722 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.073 -5.182 -13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.476 -4.351 -13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.818 -6.725 -13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.901 -5.951 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.542 -6.757 -11.943 1.00 0.00 H new ATOM 599 N TYR A 40 1.296 -0.169 -11.405 1.00 0.00 N ATOM 600 CA TYR A 40 -0.147 -0.045 -11.244 1.00 0.00 C ATOM 601 C TYR A 40 -0.569 1.417 -11.144 1.00 0.00 C ATOM 602 O TYR A 40 -1.747 1.736 -11.307 1.00 0.00 O ATOM 603 CB TYR A 40 -0.585 -0.827 -10.006 1.00 0.00 C ATOM 604 CG TYR A 40 -0.173 -2.277 -10.076 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.852 -3.158 -10.932 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.896 -2.730 -9.292 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.448 -4.499 -11.016 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.309 -4.067 -9.381 1.00 0.00 C ATOM 609 CZ TYR A 40 0.637 -4.956 -10.244 1.00 0.00 C ATOM 610 OH TYR A 40 1.033 -6.258 -10.329 1.00 0.00 O ATOM 0 H TYR A 40 1.825 0.005 -10.551 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.638 -0.461 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.151 -0.370 -9.117 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.668 -0.763 -9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.683 -2.805 -11.524 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.401 -2.051 -8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.969 -5.180 -11.672 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.142 -4.416 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 40 1.457 -6.527 -9.487 1.00 0.00 H new ATOM 620 N GLY A 41 0.385 2.311 -10.879 1.00 0.00 N ATOM 621 CA GLY A 41 0.121 3.737 -10.882 1.00 0.00 C ATOM 622 C GLY A 41 1.390 4.538 -10.638 1.00 0.00 C ATOM 623 O GLY A 41 2.378 4.008 -10.133 1.00 0.00 O ATOM 0 H GLY A 41 1.350 2.063 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.315 4.026 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.614 3.974 -10.113 1.00 0.00 H new ATOM 627 N LYS A 42 1.363 5.823 -10.999 1.00 0.00 N ATOM 628 CA LYS A 42 2.486 6.718 -10.781 1.00 0.00 C ATOM 629 C LYS A 42 2.611 6.999 -9.290 1.00 0.00 C ATOM 630 O LYS A 42 1.709 7.576 -8.684 1.00 0.00 O ATOM 631 CB LYS A 42 2.245 7.996 -11.587 1.00 0.00 C ATOM 632 CG LYS A 42 3.247 9.088 -11.223 1.00 0.00 C ATOM 633 CD LYS A 42 2.980 10.315 -12.094 1.00 0.00 C ATOM 634 CE LYS A 42 3.755 11.509 -11.544 1.00 0.00 C ATOM 635 NZ LYS A 42 5.212 11.322 -11.668 1.00 0.00 N ATOM 0 H LYS A 42 0.561 6.265 -11.449 1.00 0.00 H new ATOM 0 HA LYS A 42 3.423 6.272 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.318 7.774 -12.652 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.232 8.356 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.155 9.347 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.266 8.731 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.280 10.116 -13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.913 10.537 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.458 12.412 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.496 11.659 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.700 12.194 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.514 10.536 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.451 11.104 -12.656 1.00 0.00 H new ATOM 649 N ILE A 43 3.734 6.586 -8.703 1.00 0.00 N ATOM 650 CA ILE A 43 3.980 6.767 -7.278 1.00 0.00 C ATOM 651 C ILE A 43 4.513 8.176 -7.030 1.00 0.00 C ATOM 652 O ILE A 43 5.438 8.625 -7.707 1.00 0.00 O ATOM 653 CB ILE A 43 4.920 5.662 -6.772 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.202 4.317 -6.926 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.290 5.886 -5.306 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.067 3.134 -6.501 1.00 0.00 C ATOM 0 H ILE A 43 4.493 6.120 -9.201 1.00 0.00 H new ATOM 0 HA ILE A 43 3.054 6.674 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 43 5.842 5.675 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.289 4.327 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.902 4.187 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.956 5.090 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.793 6.847 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.386 5.881 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.507 2.208 -6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.968 3.103 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.345 3.245 -5.453 1.00 0.00 H new ATOM 668 N VAL A 44 3.922 8.868 -6.051 1.00 0.00 N ATOM 669 CA VAL A 44 4.305 10.221 -5.666 1.00 0.00 C ATOM 670 C VAL A 44 4.880 10.240 -4.256 1.00 0.00 C ATOM 671 O VAL A 44 5.294 11.290 -3.768 1.00 0.00 O ATOM 672 CB VAL A 44 3.110 11.174 -5.793 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.593 11.186 -7.230 1.00 0.00 C ATOM 674 CG2 VAL A 44 1.977 10.762 -4.854 1.00 0.00 C ATOM 0 H VAL A 44 3.152 8.493 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 44 5.084 10.566 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 44 3.450 12.172 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.745 11.866 -7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.386 11.519 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.278 10.181 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.143 11.455 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.647 9.753 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.332 10.784 -3.824 1.00 0.00 H new ATOM 684 N GLY A 45 4.903 9.080 -3.599 1.00 0.00 N ATOM 685 CA GLY A 45 5.473 8.932 -2.274 1.00 0.00 C ATOM 686 C GLY A 45 5.531 7.460 -1.890 1.00 0.00 C ATOM 687 O GLY A 45 4.682 6.672 -2.302 1.00 0.00 O ATOM 0 H GLY A 45 4.522 8.214 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.475 9.362 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.873 9.482 -1.548 1.00 0.00 H new ATOM 691 N CYS A 46 6.537 7.087 -1.100 1.00 0.00 N ATOM 692 CA CYS A 46 6.723 5.709 -0.683 1.00 0.00 C ATOM 693 C CYS A 46 7.511 5.664 0.619 1.00 0.00 C ATOM 694 O CYS A 46 8.351 6.527 0.871 1.00 0.00 O ATOM 695 CB CYS A 46 7.456 4.939 -1.785 1.00 0.00 C ATOM 696 SG CYS A 46 9.088 5.677 -2.065 1.00 0.00 S ATOM 0 H CYS A 46 7.239 7.731 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 46 5.752 5.243 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.564 3.892 -1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.874 4.961 -2.706 1.00 0.00 H new ATOM 0 HG CYS A 46 9.470 6.305 -0.993 1.00 0.00 H new ATOM 702 N SER A 47 7.242 4.651 1.443 1.00 0.00 N ATOM 703 CA SER A 47 7.963 4.444 2.687 1.00 0.00 C ATOM 704 C SER A 47 7.815 2.988 3.119 1.00 0.00 C ATOM 705 O SER A 47 6.735 2.415 3.005 1.00 0.00 O ATOM 706 CB SER A 47 7.407 5.375 3.765 1.00 0.00 C ATOM 707 OG SER A 47 8.169 5.236 4.942 1.00 0.00 O ATOM 0 H SER A 47 6.518 3.955 1.262 1.00 0.00 H new ATOM 0 HA SER A 47 9.020 4.668 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.437 6.408 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.362 5.136 3.964 1.00 0.00 H new ATOM 0 HG SER A 47 7.703 4.640 5.565 1.00 0.00 H new ATOM 713 N VAL A 48 8.896 2.391 3.619 1.00 0.00 N ATOM 714 CA VAL A 48 8.874 1.029 4.134 1.00 0.00 C ATOM 715 C VAL A 48 9.204 1.052 5.617 1.00 0.00 C ATOM 716 O VAL A 48 9.931 1.925 6.089 1.00 0.00 O ATOM 717 CB VAL A 48 9.839 0.139 3.344 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.903 -1.278 3.913 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.365 0.052 1.898 1.00 0.00 C ATOM 0 H VAL A 48 9.810 2.840 3.677 1.00 0.00 H new ATOM 0 HA VAL A 48 7.879 0.602 4.011 1.00 0.00 H new ATOM 0 HB VAL A 48 10.832 0.584 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.598 -1.876 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.244 -1.240 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.912 -1.731 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.047 -0.580 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.363 -0.377 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.345 1.050 1.461 1.00 0.00 H new ATOM 729 N HIS A 49 8.660 0.082 6.348 1.00 0.00 N ATOM 730 CA HIS A 49 8.829 -0.049 7.782 1.00 0.00 C ATOM 731 C HIS A 49 9.108 -1.513 8.094 1.00 0.00 C ATOM 732 O HIS A 49 9.409 -2.284 7.185 1.00 0.00 O ATOM 733 CB HIS A 49 7.554 0.449 8.462 1.00 0.00 C ATOM 734 CG HIS A 49 7.185 1.854 8.052 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.482 3.012 8.770 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.510 2.191 6.914 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.982 4.021 8.040 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.391 3.561 6.924 1.00 0.00 N ATOM 0 H HIS A 49 8.076 -0.650 5.944 1.00 0.00 H new ATOM 0 HA HIS A 49 9.665 0.545 8.151 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.731 -0.224 8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.686 0.414 9.543 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.142 1.515 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.046 5.064 8.313 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.934 4.128 6.210 1.00 0.00 H new ATOM 746 N LYS A 50 9.012 -1.921 9.361 1.00 0.00 N ATOM 747 CA LYS A 50 9.186 -3.323 9.708 1.00 0.00 C ATOM 748 C LYS A 50 7.842 -4.043 9.639 1.00 0.00 C ATOM 749 O LYS A 50 6.909 -3.692 10.363 1.00 0.00 O ATOM 750 CB LYS A 50 9.815 -3.453 11.096 1.00 0.00 C ATOM 751 CG LYS A 50 11.195 -2.794 11.173 1.00 0.00 C ATOM 752 CD LYS A 50 12.180 -3.428 10.189 1.00 0.00 C ATOM 753 CE LYS A 50 13.556 -2.781 10.363 1.00 0.00 C ATOM 754 NZ LYS A 50 14.543 -3.379 9.447 1.00 0.00 N ATOM 0 H LYS A 50 8.817 -1.306 10.151 1.00 0.00 H new ATOM 0 HA LYS A 50 9.862 -3.790 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.156 -2.998 11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.904 -4.508 11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.102 -1.729 10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.585 -2.883 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.246 -4.502 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.828 -3.292 9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.484 -1.710 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.891 -2.903 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.467 -2.922 9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.627 -4.397 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.233 -3.241 8.464 1.00 0.00 H new ATOM 768 N GLY A 51 7.753 -5.048 8.769 1.00 0.00 N ATOM 769 CA GLY A 51 6.555 -5.859 8.604 1.00 0.00 C ATOM 770 C GLY A 51 5.483 -5.206 7.724 1.00 0.00 C ATOM 771 O GLY A 51 4.518 -5.869 7.357 1.00 0.00 O ATOM 0 H GLY A 51 8.520 -5.322 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.834 -6.819 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.129 -6.066 9.586 1.00 0.00 H new ATOM 775 N PHE A 52 5.636 -3.924 7.378 1.00 0.00 N ATOM 776 CA PHE A 52 4.675 -3.235 6.524 1.00 0.00 C ATOM 777 C PHE A 52 5.338 -2.117 5.721 1.00 0.00 C ATOM 778 O PHE A 52 6.479 -1.741 5.982 1.00 0.00 O ATOM 779 CB PHE A 52 3.528 -2.665 7.366 1.00 0.00 C ATOM 780 CG PHE A 52 3.940 -1.591 8.341 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.427 -1.935 9.609 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.836 -0.241 7.974 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.817 -0.932 10.508 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.222 0.758 8.875 1.00 0.00 C ATOM 785 CZ PHE A 52 4.716 0.415 10.139 1.00 0.00 C ATOM 0 H PHE A 52 6.420 -3.345 7.679 1.00 0.00 H new ATOM 0 HA PHE A 52 4.277 -3.965 5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.770 -2.258 6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.061 -3.480 7.919 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.502 -2.974 9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.459 0.027 6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.195 -1.198 11.484 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.138 1.797 8.594 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.019 1.189 10.829 1.00 0.00 H new ATOM 795 N ALA A 53 4.608 -1.587 4.737 1.00 0.00 N ATOM 796 CA ALA A 53 5.053 -0.481 3.906 1.00 0.00 C ATOM 797 C ALA A 53 3.853 0.357 3.457 1.00 0.00 C ATOM 798 O ALA A 53 2.702 -0.022 3.671 1.00 0.00 O ATOM 799 CB ALA A 53 5.813 -1.027 2.700 1.00 0.00 C ATOM 0 H ALA A 53 3.676 -1.925 4.496 1.00 0.00 H new ATOM 0 HA ALA A 53 5.719 0.162 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.148 -0.199 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.678 -1.596 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.157 -1.677 2.120 1.00 0.00 H new ATOM 805 N PHE A 54 4.131 1.501 2.829 1.00 0.00 N ATOM 806 CA PHE A 54 3.117 2.417 2.325 1.00 0.00 C ATOM 807 C PHE A 54 3.521 2.967 0.960 1.00 0.00 C ATOM 808 O PHE A 54 4.702 3.180 0.684 1.00 0.00 O ATOM 809 CB PHE A 54 2.923 3.563 3.324 1.00 0.00 C ATOM 810 CG PHE A 54 1.955 3.243 4.438 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.578 3.267 4.179 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.417 2.924 5.723 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.338 2.985 5.200 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.501 2.626 6.740 1.00 0.00 C ATOM 815 CZ PHE A 54 0.127 2.659 6.479 1.00 0.00 C ATOM 0 H PHE A 54 5.085 1.818 2.656 1.00 0.00 H new ATOM 0 HA PHE A 54 2.177 1.877 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.889 3.822 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.568 4.443 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.222 3.504 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.477 2.908 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.399 3.019 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.856 2.370 7.727 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.577 2.432 7.266 1.00 0.00 H new ATOM 825 N VAL A 55 2.524 3.195 0.101 1.00 0.00 N ATOM 826 CA VAL A 55 2.712 3.744 -1.236 1.00 0.00 C ATOM 827 C VAL A 55 1.646 4.799 -1.503 1.00 0.00 C ATOM 828 O VAL A 55 0.496 4.623 -1.117 1.00 0.00 O ATOM 829 CB VAL A 55 2.631 2.632 -2.288 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.727 3.197 -3.703 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.776 1.645 -2.090 1.00 0.00 C ATOM 0 H VAL A 55 1.548 2.998 0.323 1.00 0.00 H new ATOM 0 HA VAL A 55 3.699 4.202 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 55 1.669 2.135 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.666 2.383 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.907 3.894 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.677 3.718 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.712 0.858 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.728 2.167 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.708 1.204 -1.096 1.00 0.00 H new ATOM 841 N GLN A 56 2.031 5.887 -2.164 1.00 0.00 N ATOM 842 CA GLN A 56 1.134 6.992 -2.449 1.00 0.00 C ATOM 843 C GLN A 56 1.046 7.192 -3.961 1.00 0.00 C ATOM 844 O GLN A 56 2.066 7.196 -4.645 1.00 0.00 O ATOM 845 CB GLN A 56 1.678 8.237 -1.742 1.00 0.00 C ATOM 846 CG GLN A 56 0.729 9.434 -1.843 1.00 0.00 C ATOM 847 CD GLN A 56 -0.482 9.266 -0.936 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.346 8.976 0.250 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.678 9.447 -1.484 1.00 0.00 N ATOM 0 H GLN A 56 2.978 6.023 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 56 0.127 6.791 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.854 8.006 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.642 8.505 -2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.262 10.346 -1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.398 9.551 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.755 9.687 -2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.520 9.346 -0.917 1.00 0.00 H new ATOM 858 N TYR A 57 -0.174 7.361 -4.476 1.00 0.00 N ATOM 859 CA TYR A 57 -0.418 7.551 -5.898 1.00 0.00 C ATOM 860 C TYR A 57 -0.988 8.938 -6.173 1.00 0.00 C ATOM 861 O TYR A 57 -1.280 9.694 -5.250 1.00 0.00 O ATOM 862 CB TYR A 57 -1.390 6.484 -6.403 1.00 0.00 C ATOM 863 CG TYR A 57 -0.833 5.084 -6.365 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.324 4.783 -7.097 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.471 4.085 -5.615 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.865 3.494 -7.064 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.931 2.794 -5.571 1.00 0.00 C ATOM 868 CZ TYR A 57 0.244 2.499 -6.285 1.00 0.00 C ATOM 869 OH TYR A 57 0.778 1.252 -6.224 1.00 0.00 O ATOM 0 H TYR A 57 -1.022 7.369 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 57 0.532 7.459 -6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.298 6.520 -5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.677 6.723 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.800 5.550 -7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.377 4.311 -5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.754 3.263 -7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.417 2.025 -4.989 1.00 0.00 H new ATOM 0 HH TYR A 57 1.295 1.077 -7.038 1.00 0.00 H new ATOM 879 N VAL A 58 -1.142 9.265 -7.459 1.00 0.00 N ATOM 880 CA VAL A 58 -1.707 10.534 -7.891 1.00 0.00 C ATOM 881 C VAL A 58 -3.191 10.593 -7.542 1.00 0.00 C ATOM 882 O VAL A 58 -3.711 11.672 -7.262 1.00 0.00 O ATOM 883 CB VAL A 58 -1.480 10.702 -9.399 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.161 11.964 -9.926 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.016 10.809 -9.697 1.00 0.00 C ATOM 0 H VAL A 58 -0.875 8.650 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.212 11.355 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.907 9.828 -9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.981 12.054 -10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.234 11.903 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.755 12.837 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.166 10.928 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.430 11.672 -9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.520 9.904 -9.359 1.00 0.00 H new ATOM 895 N ASN A 59 -3.880 9.444 -7.552 1.00 0.00 N ATOM 896 CA ASN A 59 -5.283 9.404 -7.165 1.00 0.00 C ATOM 897 C ASN A 59 -5.721 8.010 -6.712 1.00 0.00 C ATOM 898 O ASN A 59 -4.994 7.031 -6.892 1.00 0.00 O ATOM 899 CB ASN A 59 -6.162 9.914 -8.308 1.00 0.00 C ATOM 900 CG ASN A 59 -6.584 8.826 -9.282 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.772 8.559 -9.419 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.630 8.195 -9.955 1.00 0.00 N ATOM 0 H ASN A 59 -3.487 8.542 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.406 10.063 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.053 10.381 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.622 10.689 -8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.875 7.457 -10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.652 8.448 -9.812 1.00 0.00 H new ATOM 909 N GLU A 60 -6.916 7.924 -6.123 1.00 0.00 N ATOM 910 CA GLU A 60 -7.489 6.686 -5.617 1.00 0.00 C ATOM 911 C GLU A 60 -7.589 5.601 -6.686 1.00 0.00 C ATOM 912 O GLU A 60 -7.474 4.425 -6.356 1.00 0.00 O ATOM 913 CB GLU A 60 -8.866 7.008 -5.033 1.00 0.00 C ATOM 914 CG GLU A 60 -9.605 5.752 -4.567 1.00 0.00 C ATOM 915 CD GLU A 60 -10.965 6.073 -3.953 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.252 7.271 -3.736 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.719 5.105 -3.702 1.00 0.00 O ATOM 0 H GLU A 60 -7.521 8.733 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.830 6.282 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.751 7.693 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.466 7.523 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.741 5.078 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.994 5.224 -3.835 1.00 0.00 H new ATOM 924 N ARG A 61 -7.798 5.953 -7.960 1.00 0.00 N ATOM 925 CA ARG A 61 -7.898 4.947 -9.012 1.00 0.00 C ATOM 926 C ARG A 61 -6.621 4.115 -9.060 1.00 0.00 C ATOM 927 O ARG A 61 -6.673 2.902 -9.249 1.00 0.00 O ATOM 928 CB ARG A 61 -8.150 5.650 -10.350 1.00 0.00 C ATOM 929 CG ARG A 61 -7.971 4.740 -11.567 1.00 0.00 C ATOM 930 CD ARG A 61 -8.817 3.472 -11.454 1.00 0.00 C ATOM 931 NE ARG A 61 -8.730 2.672 -12.681 1.00 0.00 N ATOM 932 CZ ARG A 61 -8.983 1.361 -12.739 1.00 0.00 C ATOM 933 NH1 ARG A 61 -9.355 0.688 -11.655 1.00 0.00 N ATOM 934 NH2 ARG A 61 -8.861 0.716 -13.896 1.00 0.00 N ATOM 0 H ARG A 61 -7.900 6.916 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.729 4.272 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.163 6.052 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.471 6.498 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.248 5.283 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.920 4.469 -11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.479 2.879 -10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.856 3.739 -11.263 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.460 3.146 -13.543 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.451 1.172 -10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.544 -0.312 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.575 1.222 -14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.053 -0.285 -13.945 1.00 0.00 H new ATOM 948 N ASN A 62 -5.471 4.761 -8.882 1.00 0.00 N ATOM 949 CA ASN A 62 -4.203 4.058 -8.916 1.00 0.00 C ATOM 950 C ASN A 62 -4.027 3.197 -7.665 1.00 0.00 C ATOM 951 O ASN A 62 -3.288 2.215 -7.688 1.00 0.00 O ATOM 952 CB ASN A 62 -3.094 5.094 -9.050 1.00 0.00 C ATOM 953 CG ASN A 62 -3.037 5.651 -10.463 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.143 6.857 -10.667 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.869 4.769 -11.443 1.00 0.00 N ATOM 0 H ASN A 62 -5.397 5.764 -8.714 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.168 3.378 -9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.262 5.905 -8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.136 4.641 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.823 5.085 -12.412 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.786 3.776 -11.226 1.00 0.00 H new ATOM 962 N ALA A 63 -4.702 3.558 -6.571 1.00 0.00 N ATOM 963 CA ALA A 63 -4.636 2.793 -5.336 1.00 0.00 C ATOM 964 C ALA A 63 -5.493 1.535 -5.447 1.00 0.00 C ATOM 965 O ALA A 63 -5.106 0.483 -4.946 1.00 0.00 O ATOM 966 CB ALA A 63 -5.092 3.676 -4.175 1.00 0.00 C ATOM 0 H ALA A 63 -5.302 4.381 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.609 2.476 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.045 3.108 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.440 4.546 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.117 4.004 -4.348 1.00 0.00 H new ATOM 972 N ARG A 64 -6.652 1.637 -6.106 1.00 0.00 N ATOM 973 CA ARG A 64 -7.530 0.490 -6.309 1.00 0.00 C ATOM 974 C ARG A 64 -6.885 -0.510 -7.258 1.00 0.00 C ATOM 975 O ARG A 64 -7.194 -1.698 -7.194 1.00 0.00 O ATOM 976 CB ARG A 64 -8.866 0.953 -6.901 1.00 0.00 C ATOM 977 CG ARG A 64 -9.637 1.916 -5.993 1.00 0.00 C ATOM 978 CD ARG A 64 -10.075 1.258 -4.685 1.00 0.00 C ATOM 979 NE ARG A 64 -10.865 2.206 -3.892 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.434 1.931 -2.717 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.316 0.732 -2.152 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.133 2.871 -2.092 1.00 0.00 N ATOM 0 H ARG A 64 -7.001 2.507 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.701 0.012 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.681 1.439 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.487 0.080 -7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.011 2.780 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.515 2.286 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.665 0.366 -4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.201 0.936 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.989 3.146 -4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.781 -0.001 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.760 0.546 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.232 3.796 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.571 2.668 -1.193 1.00 0.00 H new ATOM 996 N ALA A 65 -5.989 -0.045 -8.133 1.00 0.00 N ATOM 997 CA ALA A 65 -5.334 -0.916 -9.096 1.00 0.00 C ATOM 998 C ALA A 65 -4.180 -1.676 -8.445 1.00 0.00 C ATOM 999 O ALA A 65 -3.911 -2.819 -8.811 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.851 -0.061 -10.271 1.00 0.00 C ATOM 0 H ALA A 65 -5.704 0.933 -8.189 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.038 -1.664 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.356 -0.697 -11.005 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.704 0.434 -10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.148 0.690 -9.910 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.502 -1.053 -7.478 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.403 -1.707 -6.786 1.00 0.00 C ATOM 1008 C ALA A 66 -2.916 -2.647 -5.695 1.00 0.00 C ATOM 1009 O ALA A 66 -2.325 -3.699 -5.463 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.496 -0.631 -6.213 1.00 0.00 C ATOM 0 H ALA A 66 -3.697 -0.103 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.840 -2.325 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.663 -1.099 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.112 -0.010 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.061 -0.011 -5.517 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.012 -2.281 -5.028 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.640 -3.143 -4.035 1.00 0.00 C ATOM 1018 C VAL A 67 -5.170 -4.409 -4.703 1.00 0.00 C ATOM 1019 O VAL A 67 -5.134 -5.479 -4.102 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.773 -2.377 -3.344 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.655 -3.309 -2.513 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.191 -1.313 -2.415 1.00 0.00 C ATOM 0 H VAL A 67 -4.483 -1.386 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.905 -3.437 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.379 -1.917 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.448 -2.732 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.096 -4.066 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.051 -3.795 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.002 -0.773 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.568 -1.791 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.587 -0.615 -2.995 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.661 -4.301 -5.940 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.173 -5.457 -6.660 1.00 0.00 C ATOM 1034 C ALA A 68 -5.088 -6.145 -7.490 1.00 0.00 C ATOM 1035 O ALA A 68 -5.315 -7.239 -8.008 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.345 -5.015 -7.536 1.00 0.00 C ATOM 0 H ALA A 68 -5.712 -3.424 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.516 -6.196 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.737 -5.874 -8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.130 -4.595 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.005 -4.260 -8.245 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.912 -5.519 -7.624 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.829 -6.059 -8.435 1.00 0.00 C ATOM 1044 C GLY A 69 -1.712 -6.712 -7.616 1.00 0.00 C ATOM 1045 O GLY A 69 -0.879 -7.408 -8.192 1.00 0.00 O ATOM 0 H GLY A 69 -3.692 -4.630 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.238 -6.795 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.404 -5.257 -9.038 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.672 -6.507 -6.296 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.562 -6.977 -5.469 1.00 0.00 C ATOM 1051 C GLU A 70 -1.040 -7.680 -4.198 1.00 0.00 C ATOM 1052 O GLU A 70 -0.281 -8.439 -3.603 1.00 0.00 O ATOM 1053 CB GLU A 70 0.317 -5.782 -5.098 1.00 0.00 C ATOM 1054 CG GLU A 70 1.112 -5.262 -6.296 1.00 0.00 C ATOM 1055 CD GLU A 70 2.261 -6.205 -6.646 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.177 -6.330 -5.802 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.228 -6.799 -7.746 1.00 0.00 O ATOM 0 H GLU A 70 -2.400 -6.016 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 70 0.003 -7.708 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.308 -4.981 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.005 -6.071 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.451 -5.155 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.507 -4.271 -6.072 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.279 -7.453 -3.761 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.778 -8.120 -2.569 1.00 0.00 C ATOM 1066 C ASP A 71 -2.794 -9.633 -2.787 1.00 0.00 C ATOM 1067 O ASP A 71 -3.522 -10.125 -3.648 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.175 -7.599 -2.227 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.724 -8.250 -0.954 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -3.905 -8.533 -0.053 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.957 -8.462 -0.886 1.00 0.00 O ATOM 0 H ASP A 71 -2.943 -6.822 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.118 -7.903 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.139 -6.517 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.851 -7.797 -3.058 1.00 0.00 H new ATOM 1076 N GLY A 72 -1.997 -10.372 -2.009 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.930 -11.822 -2.123 1.00 0.00 C ATOM 1078 C GLY A 72 -0.877 -12.246 -3.140 1.00 0.00 C ATOM 1079 O GLY A 72 -0.800 -13.421 -3.496 1.00 0.00 O ATOM 0 H GLY A 72 -1.388 -9.981 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.696 -12.256 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.904 -12.212 -2.420 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.061 -11.294 -3.603 1.00 0.00 N ATOM 1084 CA ARG A 73 1.083 -11.600 -4.440 1.00 0.00 C ATOM 1085 C ARG A 73 2.155 -12.177 -3.525 1.00 0.00 C ATOM 1086 O ARG A 73 2.014 -12.123 -2.303 1.00 0.00 O ATOM 1087 CB ARG A 73 1.551 -10.349 -5.186 1.00 0.00 C ATOM 1088 CG ARG A 73 2.322 -9.399 -4.267 1.00 0.00 C ATOM 1089 CD ARG A 73 3.817 -9.473 -4.563 1.00 0.00 C ATOM 1090 NE ARG A 73 4.097 -8.903 -5.881 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.945 -9.382 -6.795 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.663 -10.479 -6.576 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.073 -8.743 -7.955 1.00 0.00 N ATOM 0 H ARG A 73 -0.181 -10.300 -3.405 1.00 0.00 H new ATOM 0 HA ARG A 73 0.836 -12.328 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.185 -10.640 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.688 -9.831 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.967 -8.378 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.137 -9.660 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.374 -8.932 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.152 -10.510 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 73 3.592 -8.052 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.574 -10.978 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.303 -10.821 -7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.528 -7.900 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.716 -9.096 -8.663 1.00 0.00 H new ATOM 1107 N MET A 74 3.227 -12.726 -4.087 1.00 0.00 N ATOM 1108 CA MET A 74 4.260 -13.347 -3.279 1.00 0.00 C ATOM 1109 C MET A 74 5.546 -12.557 -3.422 1.00 0.00 C ATOM 1110 O MET A 74 6.060 -12.398 -4.527 1.00 0.00 O ATOM 1111 CB MET A 74 4.405 -14.807 -3.680 1.00 0.00 C ATOM 1112 CG MET A 74 5.333 -15.527 -2.705 1.00 0.00 C ATOM 1113 SD MET A 74 5.083 -17.318 -2.667 1.00 0.00 S ATOM 1114 CE MET A 74 3.461 -17.336 -1.854 1.00 0.00 C ATOM 0 H MET A 74 3.399 -12.752 -5.092 1.00 0.00 H new ATOM 0 HA MET A 74 3.992 -13.334 -2.222 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.428 -15.289 -3.688 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.803 -14.877 -4.692 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.367 -15.317 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.179 -15.125 -1.704 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.525 -17.907 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.155 -16.314 -1.630 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.728 -17.798 -2.515 1.00 0.00 H new ATOM 1124 N ILE A 75 6.062 -12.067 -2.296 1.00 0.00 N ATOM 1125 CA ILE A 75 7.295 -11.299 -2.278 1.00 0.00 C ATOM 1126 C ILE A 75 8.243 -11.865 -1.229 1.00 0.00 C ATOM 1127 O ILE A 75 7.824 -12.190 -0.122 1.00 0.00 O ATOM 1128 CB ILE A 75 6.959 -9.813 -2.073 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.195 -9.104 -3.411 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.780 -9.189 -0.946 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.834 -7.619 -3.377 1.00 0.00 C ATOM 0 H ILE A 75 5.636 -12.193 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 75 7.818 -11.377 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 75 5.919 -9.704 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.243 -9.210 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.606 -9.597 -4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.509 -8.139 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.576 -9.715 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.841 -9.268 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.024 -7.176 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.779 -7.507 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.441 -7.114 -2.626 1.00 0.00 H new ATOM 1143 N ALA A 76 9.525 -11.982 -1.587 1.00 0.00 N ATOM 1144 CA ALA A 76 10.528 -12.628 -0.753 1.00 0.00 C ATOM 1145 C ALA A 76 10.118 -14.051 -0.358 1.00 0.00 C ATOM 1146 O ALA A 76 10.659 -14.612 0.595 1.00 0.00 O ATOM 1147 CB ALA A 76 10.837 -11.755 0.459 1.00 0.00 C ATOM 0 H ALA A 76 9.893 -11.627 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 76 11.443 -12.734 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.588 -12.245 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.216 -10.789 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.928 -11.606 1.041 1.00 0.00 H new ATOM 1153 N GLY A 77 9.159 -14.633 -1.089 1.00 0.00 N ATOM 1154 CA GLY A 77 8.655 -15.965 -0.814 1.00 0.00 C ATOM 1155 C GLY A 77 7.500 -15.949 0.186 1.00 0.00 C ATOM 1156 O GLY A 77 7.027 -17.013 0.584 1.00 0.00 O ATOM 0 H GLY A 77 8.715 -14.183 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.322 -16.425 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.463 -16.584 -0.424 1.00 0.00 H new ATOM 1160 N GLN A 78 7.041 -14.760 0.593 1.00 0.00 N ATOM 1161 CA GLN A 78 5.948 -14.622 1.538 1.00 0.00 C ATOM 1162 C GLN A 78 4.839 -13.731 0.963 1.00 0.00 C ATOM 1163 O GLN A 78 5.108 -12.670 0.401 1.00 0.00 O ATOM 1164 CB GLN A 78 6.541 -14.099 2.849 1.00 0.00 C ATOM 1165 CG GLN A 78 5.484 -13.721 3.887 1.00 0.00 C ATOM 1166 CD GLN A 78 5.572 -12.233 4.202 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.732 -11.843 5.355 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.469 -11.392 3.177 1.00 0.00 N ATOM 0 H GLN A 78 7.423 -13.871 0.271 1.00 0.00 H new ATOM 0 HA GLN A 78 5.465 -15.579 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.198 -14.860 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.159 -13.227 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.490 -13.963 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.631 -14.303 4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.337 -11.753 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.522 -10.386 3.336 1.00 0.00 H new ATOM 1177 N VAL A 79 3.590 -14.177 1.112 1.00 0.00 N ATOM 1178 CA VAL A 79 2.396 -13.492 0.621 1.00 0.00 C ATOM 1179 C VAL A 79 2.244 -12.126 1.275 1.00 0.00 C ATOM 1180 O VAL A 79 2.517 -11.977 2.462 1.00 0.00 O ATOM 1181 CB VAL A 79 1.172 -14.355 0.945 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.114 -13.702 0.453 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.292 -15.725 0.280 1.00 0.00 C ATOM 0 H VAL A 79 3.377 -15.051 1.592 1.00 0.00 H new ATOM 0 HA VAL A 79 2.486 -13.344 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 79 1.135 -14.461 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.963 -14.340 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.237 -12.732 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.063 -13.566 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.414 -16.325 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.361 -15.600 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.187 -16.229 0.645 1.00 0.00 H new ATOM 1193 N LEU A 80 1.806 -11.126 0.505 1.00 0.00 N ATOM 1194 CA LEU A 80 1.530 -9.802 1.045 1.00 0.00 C ATOM 1195 C LEU A 80 0.047 -9.625 1.350 1.00 0.00 C ATOM 1196 O LEU A 80 -0.797 -10.323 0.794 1.00 0.00 O ATOM 1197 CB LEU A 80 1.996 -8.707 0.086 1.00 0.00 C ATOM 1198 CG LEU A 80 3.465 -8.856 -0.311 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.882 -7.607 -1.078 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.356 -8.998 0.916 1.00 0.00 C ATOM 0 H LEU A 80 1.636 -11.214 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 80 2.089 -9.713 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.377 -8.728 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.847 -7.733 0.553 1.00 0.00 H new ATOM 0 HG LEU A 80 3.576 -9.752 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.928 -7.692 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.263 -7.504 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.754 -6.730 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.394 -9.102 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.254 -8.113 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.058 -9.881 1.482 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.262 -8.679 2.238 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.630 -8.321 2.577 1.00 0.00 C ATOM 1214 C ASP A 81 -1.799 -6.824 2.339 1.00 0.00 C ATOM 1215 O ASP A 81 -1.369 -6.006 3.149 1.00 0.00 O ATOM 1216 CB ASP A 81 -1.917 -8.709 4.028 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.374 -8.440 4.384 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.248 -8.945 3.644 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.606 -7.732 5.390 1.00 0.00 O ATOM 0 H ASP A 81 0.440 -8.138 2.743 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.345 -8.857 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.691 -9.765 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.265 -8.145 4.695 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.425 -6.467 1.215 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.484 -5.088 0.747 1.00 0.00 C ATOM 1226 C ILE A 82 -3.933 -4.605 0.673 1.00 0.00 C ATOM 1227 O ILE A 82 -4.825 -5.348 0.260 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.774 -5.002 -0.604 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.294 -5.335 -0.377 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.903 -3.603 -1.221 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.374 -5.760 -1.673 1.00 0.00 C ATOM 0 H ILE A 82 -2.905 -7.130 0.606 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.975 -4.428 1.450 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.233 -5.706 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.219 -4.465 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.206 -6.133 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.386 -3.579 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.957 -3.367 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.458 -2.867 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.422 -5.990 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.126 -6.645 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.306 -4.951 -2.400 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.158 -3.355 1.080 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.469 -2.723 1.038 1.00 0.00 C ATOM 1245 C ASN A 83 -5.315 -1.204 1.071 1.00 0.00 C ATOM 1246 O ASN A 83 -4.236 -0.695 1.369 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.320 -3.216 2.213 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.625 -3.036 3.555 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.121 -3.997 4.127 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.595 -1.812 4.072 1.00 0.00 N ATOM 0 H ASN A 83 -3.425 -2.750 1.451 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.975 -2.994 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.267 -2.676 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.556 -4.270 2.069 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.143 -1.649 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.024 -1.035 3.569 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.394 -0.474 0.770 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.388 0.975 0.844 1.00 0.00 C ATOM 1259 C LEU A 84 -6.047 1.412 2.264 1.00 0.00 C ATOM 1260 O LEU A 84 -6.427 0.738 3.220 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.772 1.488 0.444 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.679 2.843 -0.252 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.202 2.635 -1.688 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.051 3.513 -0.274 1.00 0.00 C ATOM 0 H LEU A 84 -7.284 -0.874 0.472 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.639 1.387 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.252 0.768 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.401 1.574 1.330 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.977 3.478 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.133 3.599 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.222 2.159 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.910 1.998 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.976 4.479 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.756 2.880 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.402 3.658 0.748 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.340 2.531 2.418 1.00 0.00 N ATOM 1277 CA ALA A 85 -4.899 2.996 3.724 1.00 0.00 C ATOM 1278 C ALA A 85 -6.052 3.463 4.615 1.00 0.00 C ATOM 1279 O ALA A 85 -5.813 3.883 5.746 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.873 4.108 3.541 1.00 0.00 C ATOM 0 H ALA A 85 -5.061 3.134 1.644 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.445 2.150 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.540 4.460 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.019 3.726 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.326 4.934 2.993 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.293 3.397 4.126 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.458 3.810 4.892 1.00 0.00 C ATOM 1288 C ALA A 86 -9.613 2.819 4.746 1.00 0.00 C ATOM 1289 O ALA A 86 -10.710 3.065 5.250 1.00 0.00 O ATOM 1290 CB ALA A 86 -8.868 5.207 4.442 1.00 0.00 C ATOM 0 H ALA A 86 -7.512 3.056 3.190 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.200 3.828 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.741 5.530 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.046 5.901 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.111 5.190 3.379 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.377 1.697 4.058 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.379 0.659 3.864 1.00 0.00 C ATOM 1298 C GLU A 87 -9.714 -0.716 3.957 1.00 0.00 C ATOM 1299 O GLU A 87 -9.616 -1.427 2.954 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.088 0.827 2.514 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.865 2.140 2.435 1.00 0.00 C ATOM 1302 CD GLU A 87 -12.652 2.262 1.128 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.532 1.353 0.274 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -13.377 3.272 0.985 1.00 0.00 O ATOM 0 H GLU A 87 -8.480 1.488 3.620 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.133 0.746 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.352 0.793 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.770 -0.008 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.551 2.207 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.172 2.977 2.521 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.250 -1.111 5.152 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.665 -2.416 5.379 1.00 0.00 C ATOM 1313 C PRO A 88 -9.729 -3.482 5.117 1.00 0.00 C ATOM 1314 O PRO A 88 -10.905 -3.271 5.419 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.134 -2.386 6.814 1.00 0.00 C ATOM 1316 CG PRO A 88 -8.995 -1.319 7.497 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.280 -0.331 6.371 1.00 0.00 C ATOM 0 HA PRO A 88 -7.839 -2.661 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.238 -3.356 7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.076 -2.126 6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.913 -1.742 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.468 -0.845 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.250 0.148 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.533 0.462 6.347 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.317 -4.623 4.552 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.239 -5.636 4.041 1.00 0.00 C ATOM 1327 C LYS A 89 -11.336 -6.019 5.035 1.00 0.00 C ATOM 1328 O LYS A 89 -12.514 -5.801 4.753 1.00 0.00 O ATOM 1329 CB LYS A 89 -9.482 -6.879 3.568 1.00 0.00 C ATOM 1330 CG LYS A 89 -8.265 -7.213 4.440 1.00 0.00 C ATOM 1331 CD LYS A 89 -7.790 -8.644 4.173 1.00 0.00 C ATOM 1332 CE LYS A 89 -7.532 -8.920 2.687 1.00 0.00 C ATOM 1333 NZ LYS A 89 -6.402 -8.129 2.169 1.00 0.00 N ATOM 0 H LYS A 89 -8.333 -4.867 4.438 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.742 -5.180 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.162 -7.731 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.154 -6.727 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.458 -6.511 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.523 -7.100 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.875 -8.829 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.538 -9.345 4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.327 -9.981 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.430 -8.689 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.303 -8.293 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.577 -7.119 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.527 -8.416 2.652 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.965 -6.585 6.189 1.00 0.00 N ATOM 1348 CA VAL A 90 -11.943 -7.003 7.188 1.00 0.00 C ATOM 1349 C VAL A 90 -11.388 -6.837 8.596 1.00 0.00 C ATOM 1350 O VAL A 90 -12.095 -6.361 9.482 1.00 0.00 O ATOM 1351 CB VAL A 90 -12.315 -8.476 6.974 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -13.228 -8.958 8.105 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -13.037 -8.690 5.642 1.00 0.00 C ATOM 0 H VAL A 90 -9.995 -6.762 6.450 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.826 -6.374 7.076 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.385 -9.045 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.486 -10.005 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.711 -8.855 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.138 -8.358 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.284 -9.746 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.953 -8.099 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.389 -8.378 4.823 1.00 0.00 H new ATOM 1363 N ASN A 91 -10.128 -7.229 8.812 1.00 0.00 N ATOM 1364 CA ASN A 91 -9.570 -7.260 10.156 1.00 0.00 C ATOM 1365 C ASN A 91 -8.096 -6.869 10.215 1.00 0.00 C ATOM 1366 O ASN A 91 -7.505 -6.911 11.292 1.00 0.00 O ATOM 1367 CB ASN A 91 -9.765 -8.665 10.730 1.00 0.00 C ATOM 1368 CG ASN A 91 -8.941 -9.709 9.991 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -7.808 -10.005 10.362 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -9.507 -10.279 8.932 1.00 0.00 N ATOM 0 H ASN A 91 -9.485 -7.525 8.077 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.100 -6.514 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.488 -8.666 11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.820 -8.934 10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.998 -10.986 8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.450 -10.010 8.651 1.00 0.00 H new ATOM 1377 N ARG A 92 -7.510 -6.495 9.071 1.00 0.00 N ATOM 1378 CA ARG A 92 -6.077 -6.285 8.896 1.00 0.00 C ATOM 1379 C ARG A 92 -5.272 -7.553 9.179 1.00 0.00 C ATOM 1380 O ARG A 92 -4.676 -8.115 8.265 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.602 -5.081 9.714 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.152 -4.755 9.343 1.00 0.00 C ATOM 1383 CD ARG A 92 -3.636 -3.578 10.166 1.00 0.00 C ATOM 1384 NE ARG A 92 -3.482 -3.940 11.580 1.00 0.00 N ATOM 1385 CZ ARG A 92 -4.259 -3.500 12.574 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -5.282 -2.681 12.340 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -4.014 -3.886 13.824 1.00 0.00 N ATOM 0 H ARG A 92 -8.042 -6.326 8.217 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.895 -6.051 7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.241 -4.220 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.676 -5.299 10.779 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.523 -5.628 9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.088 -4.519 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.677 -3.246 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.326 -2.739 10.077 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.723 -4.577 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.485 -2.378 11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.863 -2.357 13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.236 -4.515 14.020 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.605 -3.552 14.586 1.00 0.00 H new ATOM 1401 N GLY A 93 -5.255 -8.005 10.430 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.547 -9.209 10.838 1.00 0.00 C ATOM 1403 C GLY A 93 -3.103 -8.913 11.221 1.00 0.00 C ATOM 1404 O GLY A 93 -2.602 -7.812 10.993 1.00 0.00 O ATOM 0 H GLY A 93 -5.739 -7.538 11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.062 -9.664 11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.566 -9.935 10.025 1.00 0.00 H new ATOM 1408 N LYS A 94 -2.437 -9.907 11.814 1.00 0.00 N ATOM 1409 CA LYS A 94 -1.063 -9.782 12.282 1.00 0.00 C ATOM 1410 C LYS A 94 -0.209 -10.973 11.842 1.00 0.00 C ATOM 1411 O LYS A 94 0.988 -11.003 12.114 1.00 0.00 O ATOM 1412 CB LYS A 94 -1.064 -9.663 13.803 1.00 0.00 C ATOM 1413 CG LYS A 94 -1.743 -8.361 14.226 1.00 0.00 C ATOM 1414 CD LYS A 94 -1.538 -8.104 15.719 1.00 0.00 C ATOM 1415 CE LYS A 94 -2.180 -9.205 16.559 1.00 0.00 C ATOM 1416 NZ LYS A 94 -2.007 -8.950 18.005 1.00 0.00 N ATOM 0 H LYS A 94 -2.844 -10.827 11.982 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.624 -8.887 11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.585 -10.514 14.242 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.041 -9.688 14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.337 -7.530 13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.809 -8.412 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.472 -8.049 15.939 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.969 -7.139 15.988 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.242 -9.271 16.324 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.736 -10.167 16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.454 -9.716 18.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.993 -8.911 18.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.452 -8.044 18.253 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.821 -11.951 11.167 1.00 0.00 N ATOM 1431 CA ALA A 95 -0.127 -13.140 10.711 1.00 0.00 C ATOM 1432 C ALA A 95 -0.811 -13.692 9.459 1.00 0.00 C ATOM 1433 O ALA A 95 -1.789 -14.432 9.551 1.00 0.00 O ATOM 1434 CB ALA A 95 -0.137 -14.158 11.853 1.00 0.00 C ATOM 0 H ALA A 95 -1.812 -11.932 10.926 1.00 0.00 H new ATOM 0 HA ALA A 95 0.904 -12.912 10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.380 -15.064 11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.369 -13.736 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.167 -14.400 12.116 1.00 0.00 H new ATOM 1440 N GLY A 96 -0.291 -13.327 8.283 1.00 0.00 N ATOM 1441 CA GLY A 96 -0.845 -13.759 7.008 1.00 0.00 C ATOM 1442 C GLY A 96 -0.340 -15.140 6.601 1.00 0.00 C ATOM 1443 O GLY A 96 -0.810 -15.699 5.610 1.00 0.00 O ATOM 0 H GLY A 96 0.526 -12.723 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.933 -13.776 7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.583 -13.036 6.236 1.00 0.00 H new ATOM 1447 N VAL A 97 0.611 -15.696 7.359 1.00 0.00 N ATOM 1448 CA VAL A 97 1.164 -17.016 7.089 1.00 0.00 C ATOM 1449 C VAL A 97 0.955 -17.916 8.299 1.00 0.00 C ATOM 1450 O VAL A 97 1.212 -17.514 9.433 1.00 0.00 O ATOM 1451 CB VAL A 97 2.646 -16.902 6.721 1.00 0.00 C ATOM 1452 CG1 VAL A 97 3.208 -18.281 6.373 1.00 0.00 C ATOM 1453 CG2 VAL A 97 2.833 -15.983 5.514 1.00 0.00 C ATOM 0 H VAL A 97 1.015 -15.239 8.176 1.00 0.00 H new ATOM 0 HA VAL A 97 0.647 -17.463 6.240 1.00 0.00 H new ATOM 0 HB VAL A 97 3.174 -16.488 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.262 -18.189 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.103 -18.944 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.660 -18.694 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.893 -15.915 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.288 -16.387 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.451 -14.990 5.750 1.00 0.00 H new ATOM 1463 N LYS A 98 0.489 -19.143 8.047 1.00 0.00 N ATOM 1464 CA LYS A 98 0.223 -20.135 9.077 1.00 0.00 C ATOM 1465 C LYS A 98 0.647 -21.538 8.639 1.00 0.00 C ATOM 1466 O LYS A 98 0.198 -22.530 9.211 1.00 0.00 O ATOM 1467 CB LYS A 98 -1.246 -20.070 9.518 1.00 0.00 C ATOM 1468 CG LYS A 98 -2.268 -20.542 8.469 1.00 0.00 C ATOM 1469 CD LYS A 98 -2.362 -19.655 7.220 1.00 0.00 C ATOM 1470 CE LYS A 98 -2.634 -18.189 7.569 1.00 0.00 C ATOM 1471 NZ LYS A 98 -3.934 -18.025 8.246 1.00 0.00 N ATOM 0 H LYS A 98 0.285 -19.474 7.104 1.00 0.00 H new ATOM 0 HA LYS A 98 0.835 -19.898 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.366 -20.676 10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.481 -19.042 9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.010 -21.555 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.251 -20.593 8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.432 -19.726 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.157 -20.026 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.838 -17.814 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.618 -17.589 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.109 -17.015 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.690 -18.407 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.921 -18.537 9.151 1.00 0.00 H new ATOM 1485 N ARG A 99 1.511 -21.615 7.623 1.00 0.00 N ATOM 1486 CA ARG A 99 2.021 -22.868 7.080 1.00 0.00 C ATOM 1487 C ARG A 99 3.492 -23.036 7.431 1.00 0.00 C ATOM 1488 O ARG A 99 4.124 -22.131 7.971 1.00 0.00 O ATOM 1489 CB ARG A 99 1.810 -22.910 5.564 1.00 0.00 C ATOM 1490 CG ARG A 99 0.483 -23.571 5.193 1.00 0.00 C ATOM 1491 CD ARG A 99 -0.716 -22.755 5.673 1.00 0.00 C ATOM 1492 NE ARG A 99 -1.981 -23.400 5.299 1.00 0.00 N ATOM 1493 CZ ARG A 99 -2.651 -24.263 6.069 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -2.201 -24.609 7.273 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -3.792 -24.789 5.631 1.00 0.00 N ATOM 0 H ARG A 99 1.880 -20.791 7.149 1.00 0.00 H new ATOM 0 HA ARG A 99 1.471 -23.697 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.835 -21.896 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.631 -23.456 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.429 -23.693 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.441 -24.569 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.670 -22.639 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.674 -21.754 5.243 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.377 -23.173 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.329 -24.214 7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.728 -25.269 7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.152 -24.533 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.307 -25.448 6.215 1.00 0.00 H new ATOM 1509 N SER A 100 4.038 -24.212 7.111 1.00 0.00 N ATOM 1510 CA SER A 100 5.433 -24.539 7.355 1.00 0.00 C ATOM 1511 C SER A 100 6.377 -23.728 6.471 1.00 0.00 C ATOM 1512 O SER A 100 7.586 -23.739 6.701 1.00 0.00 O ATOM 1513 CB SER A 100 5.633 -26.028 7.078 1.00 0.00 C ATOM 1514 OG SER A 100 5.006 -26.797 8.082 1.00 0.00 O ATOM 0 H SER A 100 3.513 -24.968 6.671 1.00 0.00 H new ATOM 0 HA SER A 100 5.668 -24.295 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.219 -26.283 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.698 -26.260 7.043 1.00 0.00 H new ATOM 0 HG SER A 100 5.138 -27.750 7.895 1.00 0.00 H new ATOM 1520 N ALA A 101 5.839 -23.027 5.464 1.00 0.00 N ATOM 1521 CA ALA A 101 6.612 -22.283 4.474 1.00 0.00 C ATOM 1522 C ALA A 101 7.692 -23.138 3.798 1.00 0.00 C ATOM 1523 O ALA A 101 8.581 -22.604 3.133 1.00 0.00 O ATOM 1524 CB ALA A 101 7.166 -21.003 5.102 1.00 0.00 C ATOM 0 H ALA A 101 4.832 -22.963 5.316 1.00 0.00 H new ATOM 0 HA ALA A 101 5.942 -21.996 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.742 -20.452 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.341 -20.384 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.811 -21.260 5.943 1.00 0.00 H new ATOM 1530 N ALA A 102 7.621 -24.462 3.969 1.00 0.00 N ATOM 1531 CA ALA A 102 8.569 -25.406 3.400 1.00 0.00 C ATOM 1532 C ALA A 102 7.898 -26.743 3.069 1.00 0.00 C ATOM 1533 O ALA A 102 8.572 -27.706 2.709 1.00 0.00 O ATOM 1534 CB ALA A 102 9.723 -25.599 4.385 1.00 0.00 C ATOM 0 H ALA A 102 6.887 -24.909 4.518 1.00 0.00 H new ATOM 0 HA ALA A 102 8.953 -25.006 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.442 -26.306 3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.215 -24.642 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.336 -25.987 5.327 1.00 0.00 H new ATOM 1540 N GLU A 103 6.569 -26.809 3.195 1.00 0.00 N ATOM 1541 CA GLU A 103 5.807 -28.034 2.981 1.00 0.00 C ATOM 1542 C GLU A 103 5.361 -28.182 1.524 1.00 0.00 C ATOM 1543 O GLU A 103 4.726 -29.173 1.167 1.00 0.00 O ATOM 1544 CB GLU A 103 4.594 -28.049 3.916 1.00 0.00 C ATOM 1545 CG GLU A 103 3.662 -26.862 3.651 1.00 0.00 C ATOM 1546 CD GLU A 103 2.471 -26.881 4.602 1.00 0.00 C ATOM 1547 OE1 GLU A 103 1.487 -27.594 4.298 1.00 0.00 O ATOM 1548 OE2 GLU A 103 2.550 -26.176 5.634 1.00 0.00 O ATOM 0 H GLU A 103 5.992 -26.007 3.450 1.00 0.00 H new ATOM 0 HA GLU A 103 6.455 -28.881 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.044 -28.981 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.932 -28.022 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.213 -25.929 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.310 -26.895 2.620 1.00 0.00 H new ATOM 1555 N MET A 104 5.691 -27.194 0.684 1.00 0.00 N ATOM 1556 CA MET A 104 5.251 -27.143 -0.702 1.00 0.00 C ATOM 1557 C MET A 104 6.410 -26.960 -1.680 1.00 0.00 C ATOM 1558 O MET A 104 6.180 -26.718 -2.864 1.00 0.00 O ATOM 1559 CB MET A 104 4.204 -26.038 -0.852 1.00 0.00 C ATOM 1560 CG MET A 104 4.799 -24.666 -0.521 1.00 0.00 C ATOM 1561 SD MET A 104 3.627 -23.290 -0.654 1.00 0.00 S ATOM 1562 CE MET A 104 2.498 -23.711 0.697 1.00 0.00 C ATOM 0 H MET A 104 6.276 -26.404 0.956 1.00 0.00 H new ATOM 0 HA MET A 104 4.803 -28.103 -0.957 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.818 -26.034 -1.871 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.360 -26.240 -0.193 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.197 -24.691 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.640 -24.477 -1.189 1.00 0.00 H new ATOM 0 HE1 MET A 104 1.888 -22.842 0.946 1.00 0.00 H new ATOM 0 HE2 MET A 104 1.851 -24.532 0.388 1.00 0.00 H new ATOM 0 HE3 MET A 104 3.074 -24.012 1.572 1.00 0.00 H new ATOM 1572 N TYR A 105 7.647 -27.070 -1.195 1.00 0.00 N ATOM 1573 CA TYR A 105 8.837 -26.933 -2.029 1.00 0.00 C ATOM 1574 C TYR A 105 9.716 -28.181 -1.970 1.00 0.00 C ATOM 1575 O TYR A 105 10.703 -28.278 -2.697 1.00 0.00 O ATOM 1576 CB TYR A 105 9.621 -25.697 -1.592 1.00 0.00 C ATOM 1577 CG TYR A 105 8.801 -24.425 -1.568 1.00 0.00 C ATOM 1578 CD1 TYR A 105 8.292 -23.892 -2.762 1.00 0.00 C ATOM 1579 CD2 TYR A 105 8.548 -23.785 -0.348 1.00 0.00 C ATOM 1580 CE1 TYR A 105 7.531 -22.715 -2.735 1.00 0.00 C ATOM 1581 CE2 TYR A 105 7.788 -22.606 -0.312 1.00 0.00 C ATOM 1582 CZ TYR A 105 7.277 -22.065 -1.509 1.00 0.00 C ATOM 1583 OH TYR A 105 6.542 -20.917 -1.484 1.00 0.00 O ATOM 0 H TYR A 105 7.850 -27.257 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 105 8.521 -26.815 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.030 -25.872 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.467 -25.559 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.486 -24.388 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.939 -24.201 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 105 7.139 -22.305 -3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.595 -22.115 0.630 1.00 0.00 H new ATOM 0 HH TYR A 105 6.461 -20.601 -0.560 1.00 0.00 H new ATOM 1593 N GLY A 106 9.360 -29.137 -1.105 1.00 0.00 N ATOM 1594 CA GLY A 106 10.093 -30.386 -0.949 1.00 0.00 C ATOM 1595 C GLY A 106 11.471 -30.161 -0.344 1.00 0.00 C ATOM 1596 O GLY A 106 11.838 -29.024 -0.054 1.00 0.00 O ATOM 1597 OXT GLY A 106 12.231 -31.090 -0.134 1.00 0.00 O ATOM 0 H GLY A 106 8.549 -29.060 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.524 -31.065 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.197 -30.870 -1.920 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 2.761 -7.467 11.322 1.00 0.00 O ATOM 1603 C5' U B 1 3.464 -6.485 10.591 1.00 0.00 C ATOM 1604 C4' U B 1 2.521 -5.427 10.015 1.00 0.00 C ATOM 1605 O4' U B 1 1.794 -5.976 8.927 1.00 0.00 O ATOM 1606 C3' U B 1 1.518 -4.927 11.056 1.00 0.00 C ATOM 1607 O3' U B 1 1.242 -3.559 10.815 1.00 0.00 O ATOM 1608 C2' U B 1 0.315 -5.817 10.763 1.00 0.00 C ATOM 1609 O2' U B 1 -0.908 -5.224 11.146 1.00 0.00 O ATOM 1610 C1' U B 1 0.418 -5.977 9.256 1.00 0.00 C ATOM 1611 N1 U B 1 -0.242 -7.220 8.808 1.00 0.00 N ATOM 1612 C2 U B 1 -1.350 -7.113 7.984 1.00 0.00 C ATOM 1613 O2 U B 1 -1.782 -6.030 7.599 1.00 0.00 O ATOM 1614 N3 U B 1 -1.955 -8.298 7.607 1.00 0.00 N ATOM 1615 C4 U B 1 -1.555 -9.565 7.981 1.00 0.00 C ATOM 1616 O4 U B 1 -2.174 -10.555 7.598 1.00 0.00 O ATOM 1617 C5 U B 1 -0.386 -9.587 8.826 1.00 0.00 C ATOM 1618 C6 U B 1 0.223 -8.442 9.207 1.00 0.00 C ATOM 0 H5' U B 1 4.016 -6.960 9.780 1.00 0.00 H new ATOM 0 H5'' U B 1 4.198 -6.005 11.238 1.00 0.00 H new ATOM 0 H4' U B 1 3.137 -4.588 9.691 1.00 0.00 H new ATOM 0 H3' U B 1 1.845 -4.982 12.094 1.00 0.00 H new ATOM 0 H2' U B 1 0.325 -6.756 11.316 1.00 0.00 H new ATOM 0 HO2' U B 1 -0.775 -4.699 11.963 1.00 0.00 H new ATOM 0 HO5' U B 1 3.393 -8.128 11.674 1.00 0.00 H new ATOM 0 H1' U B 1 -0.092 -5.158 8.748 1.00 0.00 H new ATOM 0 H3 U B 1 -2.770 -8.230 6.998 1.00 0.00 H new ATOM 0 H5 U B 1 0.009 -10.535 9.160 1.00 0.00 H new ATOM 0 H6 U B 1 1.096 -8.494 9.841 1.00 0.00 H new ATOM 1629 P U B 2 0.754 -2.597 12.013 1.00 0.00 P ATOM 1630 OP1 U B 2 1.945 -2.204 12.802 1.00 0.00 O ATOM 1631 OP2 U B 2 -0.377 -3.256 12.705 1.00 0.00 O ATOM 1632 O5' U B 2 0.179 -1.292 11.260 1.00 0.00 O ATOM 1633 C5' U B 2 1.057 -0.361 10.659 1.00 0.00 C ATOM 1634 C4' U B 2 0.315 0.928 10.287 1.00 0.00 C ATOM 1635 O4' U B 2 -0.550 0.739 9.173 1.00 0.00 O ATOM 1636 C3' U B 2 -0.541 1.452 11.448 1.00 0.00 C ATOM 1637 O3' U B 2 -0.286 2.824 11.688 1.00 0.00 O ATOM 1638 C2' U B 2 -1.958 1.301 10.911 1.00 0.00 C ATOM 1639 O2' U B 2 -2.847 2.250 11.460 1.00 0.00 O ATOM 1640 C1' U B 2 -1.711 1.506 9.426 1.00 0.00 C ATOM 1641 N1 U B 2 -2.865 1.083 8.597 1.00 0.00 N ATOM 1642 C2 U B 2 -3.431 2.040 7.766 1.00 0.00 C ATOM 1643 O2 U B 2 -3.009 3.192 7.696 1.00 0.00 O ATOM 1644 N3 U B 2 -4.513 1.636 7.009 1.00 0.00 N ATOM 1645 C4 U B 2 -5.058 0.369 6.990 1.00 0.00 C ATOM 1646 O4 U B 2 -6.007 0.115 6.254 1.00 0.00 O ATOM 1647 C5 U B 2 -4.414 -0.566 7.882 1.00 0.00 C ATOM 1648 C6 U B 2 -3.363 -0.193 8.648 1.00 0.00 C ATOM 0 H5' U B 2 1.503 -0.799 9.766 1.00 0.00 H new ATOM 0 H5'' U B 2 1.874 -0.131 11.343 1.00 0.00 H new ATOM 0 H4' U B 2 1.093 1.650 10.040 1.00 0.00 H new ATOM 0 H3' U B 2 -0.349 0.926 12.383 1.00 0.00 H new ATOM 0 H2' U B 2 -2.441 0.355 11.157 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.336 2.958 11.905 1.00 0.00 H new ATOM 0 H1' U B 2 -1.580 2.556 9.165 1.00 0.00 H new ATOM 0 H3 U B 2 -4.948 2.338 6.410 1.00 0.00 H new ATOM 0 H5 U B 2 -4.778 -1.581 7.939 1.00 0.00 H new ATOM 0 H6 U B 2 -2.908 -0.914 9.312 1.00 0.00 H new ATOM 1659 P U B 3 0.936 3.307 12.622 1.00 0.00 P ATOM 1660 OP1 U B 3 1.540 2.116 13.260 1.00 0.00 O ATOM 1661 OP2 U B 3 0.440 4.417 13.467 1.00 0.00 O ATOM 1662 O5' U B 3 2.007 3.925 11.586 1.00 0.00 O ATOM 1663 C5' U B 3 3.122 3.181 11.144 1.00 0.00 C ATOM 1664 C4' U B 3 3.997 4.014 10.202 1.00 0.00 C ATOM 1665 O4' U B 3 3.390 4.132 8.926 1.00 0.00 O ATOM 1666 C3' U B 3 4.229 5.418 10.758 1.00 0.00 C ATOM 1667 O3' U B 3 5.551 5.820 10.457 1.00 0.00 O ATOM 1668 C2' U B 3 3.181 6.234 10.004 1.00 0.00 C ATOM 1669 O2' U B 3 3.584 7.571 9.793 1.00 0.00 O ATOM 1670 C1' U B 3 3.048 5.486 8.684 1.00 0.00 C ATOM 1671 N1 U B 3 1.671 5.591 8.149 1.00 0.00 N ATOM 1672 C2 U B 3 1.489 6.244 6.939 1.00 0.00 C ATOM 1673 O2 U B 3 2.425 6.723 6.298 1.00 0.00 O ATOM 1674 N3 U B 3 0.189 6.336 6.474 1.00 0.00 N ATOM 1675 C4 U B 3 -0.933 5.835 7.109 1.00 0.00 C ATOM 1676 O4 U B 3 -2.044 5.966 6.604 1.00 0.00 O ATOM 1677 C5 U B 3 -0.656 5.179 8.365 1.00 0.00 C ATOM 1678 C6 U B 3 0.608 5.071 8.837 1.00 0.00 C ATOM 0 H5' U B 3 2.783 2.281 10.631 1.00 0.00 H new ATOM 0 H5'' U B 3 3.711 2.857 12.002 1.00 0.00 H new ATOM 0 H4' U B 3 4.952 3.497 10.113 1.00 0.00 H new ATOM 0 H3' U B 3 4.131 5.519 11.839 1.00 0.00 H new ATOM 0 H2' U B 3 2.245 6.317 10.557 1.00 0.00 H new ATOM 0 HO2' U B 3 4.093 7.886 10.569 1.00 0.00 H new ATOM 0 H1' U B 3 3.712 5.921 7.937 1.00 0.00 H new ATOM 0 H3 U B 3 0.046 6.815 5.585 1.00 0.00 H new ATOM 0 H5 U B 3 -1.473 4.767 8.939 1.00 0.00 H new ATOM 0 H6 U B 3 0.781 4.565 9.775 1.00 0.00 H new ATOM 1689 P U B 4 6.342 6.820 11.436 1.00 0.00 P ATOM 1690 OP1 U B 4 6.677 6.094 12.683 1.00 0.00 O ATOM 1691 OP2 U B 4 5.589 8.095 11.516 1.00 0.00 O ATOM 1692 O5' U B 4 7.704 7.079 10.621 1.00 0.00 O ATOM 1693 C5' U B 4 8.654 6.044 10.466 1.00 0.00 C ATOM 1694 C4' U B 4 9.750 6.437 9.476 1.00 0.00 C ATOM 1695 O4' U B 4 9.172 6.747 8.211 1.00 0.00 O ATOM 1696 C3' U B 4 10.510 7.671 9.965 1.00 0.00 C ATOM 1697 O3' U B 4 11.878 7.615 9.601 1.00 0.00 O ATOM 1698 C2' U B 4 9.802 8.797 9.229 1.00 0.00 C ATOM 1699 O2' U B 4 10.660 9.905 9.010 1.00 0.00 O ATOM 1700 C1' U B 4 9.354 8.128 7.928 1.00 0.00 C ATOM 1701 N1 U B 4 8.129 8.791 7.439 1.00 0.00 N ATOM 1702 C2 U B 4 8.287 9.953 6.697 1.00 0.00 C ATOM 1703 O2 U B 4 9.388 10.438 6.440 1.00 0.00 O ATOM 1704 N3 U B 4 7.127 10.558 6.251 1.00 0.00 N ATOM 1705 C4 U B 4 5.843 10.105 6.467 1.00 0.00 C ATOM 1706 O4 U B 4 4.886 10.707 5.993 1.00 0.00 O ATOM 1707 C5 U B 4 5.764 8.905 7.269 1.00 0.00 C ATOM 1708 C6 U B 4 6.881 8.294 7.723 1.00 0.00 C ATOM 0 H5' U B 4 8.155 5.139 10.119 1.00 0.00 H new ATOM 0 H5'' U B 4 9.101 5.811 11.432 1.00 0.00 H new ATOM 0 H4' U B 4 10.437 5.595 9.389 1.00 0.00 H new ATOM 0 H3' U B 4 10.507 7.779 11.050 1.00 0.00 H new ATOM 0 H2' U B 4 8.968 9.222 9.787 1.00 0.00 H new ATOM 0 HO2' U B 4 10.448 10.318 8.147 1.00 0.00 H new ATOM 0 H1' U B 4 10.092 8.223 7.131 1.00 0.00 H new ATOM 0 H3 U B 4 7.230 11.418 5.713 1.00 0.00 H new ATOM 0 H5 U B 4 4.796 8.490 7.509 1.00 0.00 H new ATOM 0 H6 U B 4 6.790 7.399 8.320 1.00 0.00 H new ATOM 1719 P C B 5 12.890 6.614 10.353 1.00 0.00 P ATOM 1720 OP1 C B 5 12.247 6.164 11.607 1.00 0.00 O ATOM 1721 OP2 C B 5 14.219 7.263 10.410 1.00 0.00 O ATOM 1722 O5' C B 5 12.986 5.355 9.361 1.00 0.00 O ATOM 1723 C5' C B 5 13.732 5.441 8.163 1.00 0.00 C ATOM 1724 C4' C B 5 13.826 4.083 7.469 1.00 0.00 C ATOM 1725 O4' C B 5 14.576 3.155 8.243 1.00 0.00 O ATOM 1726 C3' C B 5 12.452 3.466 7.206 1.00 0.00 C ATOM 1727 O3' C B 5 11.994 3.681 5.888 1.00 0.00 O ATOM 1728 C2' C B 5 12.716 1.986 7.465 1.00 0.00 C ATOM 1729 O2' C B 5 13.333 1.379 6.352 1.00 0.00 O ATOM 1730 C1' C B 5 13.733 2.067 8.600 1.00 0.00 C ATOM 1731 N1 C B 5 13.131 2.312 9.942 1.00 0.00 N ATOM 1732 C2 C B 5 14.003 2.434 11.019 1.00 0.00 C ATOM 1733 O2 C B 5 15.223 2.337 10.854 1.00 0.00 O ATOM 1734 N3 C B 5 13.500 2.661 12.259 1.00 0.00 N ATOM 1735 C4 C B 5 12.187 2.764 12.445 1.00 0.00 C ATOM 1736 N4 C B 5 11.739 2.987 13.678 1.00 0.00 N ATOM 1737 C5 C B 5 11.262 2.631 11.366 1.00 0.00 C ATOM 1738 C6 C B 5 11.775 2.407 10.138 1.00 0.00 C ATOM 0 H5' C B 5 14.734 5.810 8.382 1.00 0.00 H new ATOM 0 H5'' C B 5 13.266 6.163 7.493 1.00 0.00 H new ATOM 0 H4' C B 5 14.324 4.275 6.519 1.00 0.00 H new ATOM 0 H3' C B 5 11.668 3.901 7.827 1.00 0.00 H new ATOM 0 H2' C B 5 11.814 1.411 7.674 1.00 0.00 H new ATOM 0 HO2' C B 5 13.193 1.934 5.557 1.00 0.00 H new ATOM 0 HO3' C B 5 11.259 3.063 5.692 1.00 0.00 H new ATOM 0 H1' C B 5 14.252 1.114 8.703 1.00 0.00 H new ATOM 0 H41 C B 5 10.737 3.070 13.849 1.00 0.00 H new ATOM 0 H42 C B 5 12.398 3.075 14.452 1.00 0.00 H new ATOM 0 H5 C B 5 10.197 2.706 11.526 1.00 0.00 H new ATOM 0 H6 C B 5 11.108 2.301 9.295 1.00 0.00 H new TER 1750 C B 5