USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 77 THR OG1 : rot 170:sc= -0.0596 USER MOD Set 1.2: A 81 THR OG1 : rot 87:sc= 0.443 USER MOD Set 2.1: A 71 ASN : amide:sc= -1.72! K(o=-1.3!,f=1.6) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.412 USER MOD Single : A 1 GLY N :NH3+ -172:sc= 2.36 (180deg=2.27) USER MOD Single : A 6 TYR OH : rot 60:sc= 0.513 USER MOD Single : A 7 ASN : amide:sc= -0.255 K(o=-0.26,f=-1.1) USER MOD Single : A 11 MET CE :methyl 133:sc= -0.921 (180deg=-3.41!) USER MOD Single : A 17 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 170:sc= -1.13 (180deg=-1.25) USER MOD Single : A 64 MET CE :methyl -128:sc= -1.32 (180deg=-3.64!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -135:sc= 1.11 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 1 K(o=1,f=-6.8!) USER MOD Single : A 87 SER OG : rot 77:sc= 0.777 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 92 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.095) USER MOD Single : A 93 TYR OH : rot -120:sc= 0.609 USER MOD Single : A 96 GLN : amide:sc= -1.86! C(o=-1.9!,f=-6.9!) USER MOD Single : A 102 SER OG : rot 147:sc= 0.0384 USER MOD Single : A 108 MET CE :methyl -169:sc= -0.265 (180deg=-0.479) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 82:sc= 0.82 USER MOD Single : A 125 GLN : amide:sc= -1.86! C(o=-1.9!,f=-6.8!) USER MOD Single : A 128 CYS SG : rot 69:sc= 0.195 USER MOD Single : A 132 THR OG1 : rot 108:sc= -0.285 USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl 159:sc= -0.252 (180deg=-0.998) USER MOD Single : A 138 TYR OH : rot 100:sc= -0.104 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.058 -15.773 3.142 1.00 0.00 N ATOM 2 CA GLY A 1 0.782 -16.731 4.007 1.00 0.00 C ATOM 3 C GLY A 1 1.064 -16.144 5.370 1.00 0.00 C ATOM 4 O GLY A 1 0.798 -14.961 5.608 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.238 -16.251 2.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.781 -15.418 3.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.684 -14.976 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.192 -17.641 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.721 -17.015 3.531 1.00 0.00 H new ATOM 10 N ASP A 2 1.600 -16.961 6.271 1.00 0.00 N ATOM 11 CA ASP A 2 1.916 -16.518 7.627 1.00 0.00 C ATOM 12 C ASP A 2 3.240 -15.757 7.658 1.00 0.00 C ATOM 13 O ASP A 2 4.151 -16.089 8.423 1.00 0.00 O ATOM 14 CB ASP A 2 1.953 -17.713 8.596 1.00 0.00 C ATOM 15 CG ASP A 2 0.564 -18.219 8.958 1.00 0.00 C ATOM 16 OD1 ASP A 2 -0.047 -18.943 8.141 1.00 0.00 O ATOM 17 OD2 ASP A 2 0.072 -17.894 10.062 1.00 0.00 O ATOM 0 H ASP A 2 1.826 -17.938 6.086 1.00 0.00 H new ATOM 0 HA ASP A 2 1.128 -15.839 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.524 -18.524 8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.478 -17.422 9.506 1.00 0.00 H new ATOM 22 N ILE A 3 3.323 -14.715 6.839 1.00 0.00 N ATOM 23 CA ILE A 3 4.487 -13.832 6.791 1.00 0.00 C ATOM 24 C ILE A 3 4.373 -12.786 7.922 1.00 0.00 C ATOM 25 O ILE A 3 4.718 -11.611 7.771 1.00 0.00 O ATOM 26 CB ILE A 3 4.576 -13.157 5.391 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.922 -12.434 5.208 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.400 -12.204 5.167 1.00 0.00 C ATOM 29 CD1 ILE A 3 6.108 -11.826 3.831 1.00 0.00 C ATOM 0 H ILE A 3 2.583 -14.456 6.186 1.00 0.00 H new ATOM 0 HA ILE A 3 5.403 -14.403 6.942 1.00 0.00 H new ATOM 0 HB ILE A 3 4.518 -13.941 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.006 -11.646 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.731 -13.140 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.486 -11.745 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.464 -12.760 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.411 -11.427 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.079 -11.334 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.058 -12.611 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.321 -11.095 3.647 1.00 0.00 H new ATOM 41 N ARG A 4 3.921 -13.270 9.079 1.00 0.00 N ATOM 42 CA ARG A 4 3.525 -12.429 10.211 1.00 0.00 C ATOM 43 C ARG A 4 4.640 -11.478 10.644 1.00 0.00 C ATOM 44 O ARG A 4 4.391 -10.302 10.907 1.00 0.00 O ATOM 45 CB ARG A 4 3.108 -13.322 11.389 1.00 0.00 C ATOM 46 CG ARG A 4 1.986 -14.304 11.049 1.00 0.00 C ATOM 47 CD ARG A 4 1.772 -15.333 12.154 1.00 0.00 C ATOM 48 NE ARG A 4 3.010 -16.052 12.467 1.00 0.00 N ATOM 49 CZ ARG A 4 3.188 -17.368 12.319 1.00 0.00 C ATOM 50 NH1 ARG A 4 2.215 -18.138 11.841 1.00 0.00 N ATOM 51 NH2 ARG A 4 4.354 -17.907 12.637 1.00 0.00 N ATOM 0 H ARG A 4 3.818 -14.269 9.260 1.00 0.00 H new ATOM 0 HA ARG A 4 2.684 -11.814 9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.977 -13.882 11.734 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.787 -12.690 12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.060 -13.753 10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.223 -14.817 10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.403 -14.834 13.050 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.005 -16.044 11.847 1.00 0.00 H new ATOM 0 HE ARG A 4 3.795 -15.507 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.319 -17.725 11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.365 -19.141 11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.108 -17.319 12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.499 -18.911 12.527 1.00 0.00 H new ATOM 65 N ASP A 5 5.863 -11.995 10.708 1.00 0.00 N ATOM 66 CA ASP A 5 7.021 -11.215 11.156 1.00 0.00 C ATOM 67 C ASP A 5 7.158 -9.924 10.352 1.00 0.00 C ATOM 68 O ASP A 5 7.362 -8.847 10.918 1.00 0.00 O ATOM 69 CB ASP A 5 8.299 -12.054 11.033 1.00 0.00 C ATOM 70 CG ASP A 5 8.247 -13.315 11.882 1.00 0.00 C ATOM 71 OD1 ASP A 5 7.559 -14.277 11.482 1.00 0.00 O ATOM 72 OD2 ASP A 5 8.893 -13.351 12.951 1.00 0.00 O ATOM 0 H ASP A 5 6.083 -12.958 10.454 1.00 0.00 H new ATOM 0 HA ASP A 5 6.868 -10.947 12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.452 -12.328 9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.156 -11.452 11.333 1.00 0.00 H new ATOM 77 N TYR A 6 7.035 -10.044 9.034 1.00 0.00 N ATOM 78 CA TYR A 6 7.071 -8.886 8.142 1.00 0.00 C ATOM 79 C TYR A 6 5.962 -7.904 8.516 1.00 0.00 C ATOM 80 O TYR A 6 6.208 -6.705 8.661 1.00 0.00 O ATOM 81 CB TYR A 6 6.939 -9.348 6.674 1.00 0.00 C ATOM 82 CG TYR A 6 6.122 -8.432 5.773 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.660 -7.261 5.247 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.805 -8.748 5.445 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.911 -6.436 4.427 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.053 -7.931 4.627 1.00 0.00 C ATOM 87 CZ TYR A 6 4.606 -6.777 4.120 1.00 0.00 C ATOM 88 OH TYR A 6 3.856 -5.966 3.300 1.00 0.00 O ATOM 0 H TYR A 6 6.909 -10.936 8.556 1.00 0.00 H new ATOM 0 HA TYR A 6 8.027 -8.373 8.251 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.939 -9.449 6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.487 -10.340 6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.679 -6.992 5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.364 -9.651 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.343 -5.530 4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.034 -8.196 4.385 1.00 0.00 H new ATOM 0 HH TYR A 6 4.291 -5.893 2.425 1.00 0.00 H new ATOM 98 N ASN A 7 4.758 -8.437 8.707 1.00 0.00 N ATOM 99 CA ASN A 7 3.602 -7.617 9.060 1.00 0.00 C ATOM 100 C ASN A 7 3.919 -6.807 10.310 1.00 0.00 C ATOM 101 O ASN A 7 4.158 -5.600 10.234 1.00 0.00 O ATOM 102 CB ASN A 7 2.349 -8.484 9.290 1.00 0.00 C ATOM 103 CG ASN A 7 1.870 -9.198 8.034 1.00 0.00 C ATOM 104 OD1 ASN A 7 2.028 -8.702 6.921 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.272 -10.370 8.206 1.00 0.00 N ATOM 0 H ASN A 7 4.557 -9.434 8.623 1.00 0.00 H new ATOM 0 HA ASN A 7 3.390 -6.943 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.565 -9.225 10.060 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.545 -7.854 9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.926 -10.889 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.158 -10.751 9.145 1.00 0.00 H new ATOM 112 N ASP A 8 3.984 -7.496 11.446 1.00 0.00 N ATOM 113 CA ASP A 8 4.243 -6.852 12.731 1.00 0.00 C ATOM 114 C ASP A 8 5.479 -5.960 12.659 1.00 0.00 C ATOM 115 O ASP A 8 5.374 -4.729 12.673 1.00 0.00 O ATOM 116 CB ASP A 8 4.435 -7.906 13.835 1.00 0.00 C ATOM 117 CG ASP A 8 3.165 -8.678 14.154 1.00 0.00 C ATOM 118 OD1 ASP A 8 2.402 -8.234 15.041 1.00 0.00 O ATOM 119 OD2 ASP A 8 2.932 -9.743 13.537 1.00 0.00 O ATOM 0 H ASP A 8 3.860 -8.507 11.503 1.00 0.00 H new ATOM 0 HA ASP A 8 3.378 -6.234 12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.211 -8.607 13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.790 -7.414 14.740 1.00 0.00 H new ATOM 124 N ALA A 9 6.642 -6.588 12.533 1.00 0.00 N ATOM 125 CA ALA A 9 7.910 -5.882 12.643 1.00 0.00 C ATOM 126 C ALA A 9 8.052 -4.805 11.572 1.00 0.00 C ATOM 127 O ALA A 9 8.179 -3.619 11.890 1.00 0.00 O ATOM 128 CB ALA A 9 9.073 -6.866 12.567 1.00 0.00 C ATOM 0 H ALA A 9 6.732 -7.588 12.354 1.00 0.00 H new ATOM 0 HA ALA A 9 7.928 -5.385 13.613 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.015 -6.323 12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.995 -7.585 13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.042 -7.393 11.614 1.00 0.00 H new ATOM 134 N ASP A 10 7.983 -5.209 10.309 1.00 0.00 N ATOM 135 CA ASP A 10 8.350 -4.320 9.211 1.00 0.00 C ATOM 136 C ASP A 10 7.288 -3.242 9.004 1.00 0.00 C ATOM 137 O ASP A 10 7.614 -2.057 8.899 1.00 0.00 O ATOM 138 CB ASP A 10 8.579 -5.125 7.922 1.00 0.00 C ATOM 139 CG ASP A 10 9.273 -4.326 6.823 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.327 -3.714 7.096 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.807 -4.366 5.661 1.00 0.00 O ATOM 0 H ASP A 10 7.679 -6.139 10.020 1.00 0.00 H new ATOM 0 HA ASP A 10 9.283 -3.820 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.178 -6.006 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.619 -5.482 7.550 1.00 0.00 H new ATOM 146 N MET A 11 6.010 -3.638 8.994 1.00 0.00 N ATOM 147 CA MET A 11 4.935 -2.684 8.729 1.00 0.00 C ATOM 148 C MET A 11 4.792 -1.697 9.885 1.00 0.00 C ATOM 149 O MET A 11 4.646 -0.497 9.660 1.00 0.00 O ATOM 150 CB MET A 11 3.599 -3.394 8.467 1.00 0.00 C ATOM 151 CG MET A 11 3.571 -4.271 7.212 1.00 0.00 C ATOM 152 SD MET A 11 3.401 -3.334 5.673 1.00 0.00 S ATOM 153 CE MET A 11 5.082 -2.798 5.355 1.00 0.00 C ATOM 0 H MET A 11 5.702 -4.595 9.163 1.00 0.00 H new ATOM 0 HA MET A 11 5.203 -2.134 7.827 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.358 -4.013 9.331 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.814 -2.642 8.385 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.488 -4.859 7.170 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.744 -4.976 7.291 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.334 -2.991 4.312 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.168 -1.730 5.558 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.767 -3.346 6.001 1.00 0.00 H new ATOM 163 N ALA A 12 4.851 -2.187 11.125 1.00 0.00 N ATOM 164 CA ALA A 12 4.708 -1.302 12.281 1.00 0.00 C ATOM 165 C ALA A 12 5.875 -0.320 12.361 1.00 0.00 C ATOM 166 O ALA A 12 5.673 0.888 12.476 1.00 0.00 O ATOM 167 CB ALA A 12 4.592 -2.100 13.572 1.00 0.00 C ATOM 0 H ALA A 12 4.994 -3.171 11.352 1.00 0.00 H new ATOM 0 HA ALA A 12 3.788 -0.732 12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.487 -1.416 14.414 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.718 -2.750 13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.488 -2.706 13.707 1.00 0.00 H new ATOM 173 N ARG A 13 7.096 -0.845 12.271 1.00 0.00 N ATOM 174 CA ARG A 13 8.297 -0.022 12.421 1.00 0.00 C ATOM 175 C ARG A 13 8.459 0.959 11.256 1.00 0.00 C ATOM 176 O ARG A 13 9.049 2.027 11.420 1.00 0.00 O ATOM 177 CB ARG A 13 9.538 -0.911 12.573 1.00 0.00 C ATOM 178 CG ARG A 13 9.525 -1.732 13.862 1.00 0.00 C ATOM 179 CD ARG A 13 10.702 -2.694 13.956 1.00 0.00 C ATOM 180 NE ARG A 13 10.650 -3.486 15.192 1.00 0.00 N ATOM 181 CZ ARG A 13 11.107 -4.734 15.309 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.657 -5.349 14.273 1.00 0.00 N ATOM 183 NH2 ARG A 13 11.020 -5.364 16.472 1.00 0.00 N ATOM 0 H ARG A 13 7.280 -1.833 12.096 1.00 0.00 H new ATOM 0 HA ARG A 13 8.185 0.573 13.328 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.603 -1.585 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.431 -0.286 12.555 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.543 -1.058 14.718 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.594 -2.296 13.920 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.698 -3.361 13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.636 -2.133 13.921 1.00 0.00 H new ATOM 0 HE ARG A 13 10.236 -3.052 16.017 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.734 -4.868 13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.004 -6.303 14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.604 -4.895 17.276 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.369 -6.318 16.563 1.00 0.00 H new ATOM 197 N LEU A 14 7.935 0.603 10.083 1.00 0.00 N ATOM 198 CA LEU A 14 7.982 1.498 8.924 1.00 0.00 C ATOM 199 C LEU A 14 6.905 2.583 9.018 1.00 0.00 C ATOM 200 O LEU A 14 7.196 3.775 8.903 1.00 0.00 O ATOM 201 CB LEU A 14 7.813 0.700 7.622 1.00 0.00 C ATOM 202 CG LEU A 14 7.746 1.541 6.330 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.007 2.386 6.156 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.520 0.643 5.114 1.00 0.00 C ATOM 0 H LEU A 14 7.476 -0.291 9.909 1.00 0.00 H new ATOM 0 HA LEU A 14 8.957 1.985 8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.643 -0.001 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.902 0.107 7.696 1.00 0.00 H new ATOM 0 HG LEU A 14 6.899 2.222 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.931 2.968 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.113 3.061 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.878 1.733 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.476 1.255 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.341 -0.068 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.581 0.101 5.231 1.00 0.00 H new ATOM 216 N LEU A 15 5.660 2.167 9.237 1.00 0.00 N ATOM 217 CA LEU A 15 4.525 3.091 9.213 1.00 0.00 C ATOM 218 C LEU A 15 4.499 4.003 10.440 1.00 0.00 C ATOM 219 O LEU A 15 3.947 5.106 10.379 1.00 0.00 O ATOM 220 CB LEU A 15 3.197 2.322 9.081 1.00 0.00 C ATOM 221 CG LEU A 15 2.827 1.872 7.653 1.00 0.00 C ATOM 222 CD1 LEU A 15 2.704 3.080 6.724 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.841 0.870 7.101 1.00 0.00 C ATOM 0 H LEU A 15 5.410 1.198 9.433 1.00 0.00 H new ATOM 0 HA LEU A 15 4.649 3.729 8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.243 1.440 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.394 2.951 9.464 1.00 0.00 H new ATOM 0 HG LEU A 15 1.860 1.371 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.442 2.743 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.927 3.748 7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.655 3.612 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.549 0.575 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.829 1.330 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.869 -0.010 7.743 1.00 0.00 H new ATOM 235 N GLU A 16 5.099 3.557 11.544 1.00 0.00 N ATOM 236 CA GLU A 16 5.129 4.360 12.769 1.00 0.00 C ATOM 237 C GLU A 16 5.834 5.690 12.496 1.00 0.00 C ATOM 238 O GLU A 16 5.526 6.718 13.118 1.00 0.00 O ATOM 239 CB GLU A 16 5.808 3.581 13.917 1.00 0.00 C ATOM 240 CG GLU A 16 7.329 3.722 14.003 1.00 0.00 C ATOM 241 CD GLU A 16 7.758 4.867 14.916 1.00 0.00 C ATOM 242 OE1 GLU A 16 7.490 4.776 16.133 1.00 0.00 O ATOM 243 OE2 GLU A 16 8.353 5.854 14.424 1.00 0.00 O ATOM 0 H GLU A 16 5.567 2.653 11.617 1.00 0.00 H new ATOM 0 HA GLU A 16 4.107 4.573 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.376 3.912 14.862 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.565 2.524 13.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.757 2.789 14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.733 3.887 13.004 1.00 0.00 H new ATOM 250 N GLN A 17 6.768 5.659 11.542 1.00 0.00 N ATOM 251 CA GLN A 17 7.441 6.862 11.076 1.00 0.00 C ATOM 252 C GLN A 17 6.412 7.880 10.603 1.00 0.00 C ATOM 253 O GLN A 17 6.329 8.988 11.130 1.00 0.00 O ATOM 254 CB GLN A 17 8.412 6.527 9.934 1.00 0.00 C ATOM 255 CG GLN A 17 8.991 7.753 9.234 1.00 0.00 C ATOM 256 CD GLN A 17 9.866 7.394 8.045 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.076 7.233 8.180 1.00 0.00 O ATOM 258 NE2 GLN A 17 9.263 7.265 6.874 1.00 0.00 N ATOM 0 H GLN A 17 7.073 4.804 11.077 1.00 0.00 H new ATOM 0 HA GLN A 17 8.011 7.286 11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.231 5.927 10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.894 5.912 9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.175 8.393 8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.577 8.331 9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.256 7.406 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.806 7.024 6.045 1.00 0.00 H new ATOM 267 N TRP A 18 5.606 7.467 9.630 1.00 0.00 N ATOM 268 CA TRP A 18 4.592 8.333 9.040 1.00 0.00 C ATOM 269 C TRP A 18 3.610 8.819 10.107 1.00 0.00 C ATOM 270 O TRP A 18 3.059 9.920 9.999 1.00 0.00 O ATOM 271 CB TRP A 18 3.850 7.595 7.914 1.00 0.00 C ATOM 272 CG TRP A 18 4.714 7.289 6.717 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.896 6.594 6.704 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.457 7.658 5.354 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.386 6.518 5.424 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.524 7.160 4.577 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.433 8.363 4.713 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.590 7.342 3.200 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.500 8.541 3.345 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.574 8.033 2.601 1.00 0.00 C ATOM 0 H TRP A 18 5.637 6.529 9.231 1.00 0.00 H new ATOM 0 HA TRP A 18 5.087 9.205 8.613 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.446 6.662 8.308 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.001 8.199 7.593 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.372 6.168 7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.253 6.057 5.148 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.604 8.762 5.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.415 6.951 2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.712 9.080 2.840 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.599 8.191 1.533 1.00 0.00 H new ATOM 291 N GLU A 19 3.398 7.997 11.138 1.00 0.00 N ATOM 292 CA GLU A 19 2.562 8.391 12.267 1.00 0.00 C ATOM 293 C GLU A 19 3.145 9.620 12.956 1.00 0.00 C ATOM 294 O GLU A 19 2.519 10.682 12.972 1.00 0.00 O ATOM 295 CB GLU A 19 2.408 7.256 13.287 1.00 0.00 C ATOM 296 CG GLU A 19 1.553 6.088 12.806 1.00 0.00 C ATOM 297 CD GLU A 19 1.249 5.105 13.926 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.544 5.493 14.884 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.726 3.955 13.874 1.00 0.00 O ATOM 0 H GLU A 19 3.793 7.059 11.211 1.00 0.00 H new ATOM 0 HA GLU A 19 1.574 8.627 11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.398 6.882 13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.969 7.661 14.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.618 6.468 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.069 5.569 11.998 1.00 0.00 H new ATOM 306 N LYS A 20 4.355 9.478 13.510 1.00 0.00 N ATOM 307 CA LYS A 20 4.992 10.583 14.227 1.00 0.00 C ATOM 308 C LYS A 20 5.133 11.809 13.334 1.00 0.00 C ATOM 309 O LYS A 20 4.806 12.917 13.748 1.00 0.00 O ATOM 310 CB LYS A 20 6.369 10.186 14.790 1.00 0.00 C ATOM 311 CG LYS A 20 7.306 11.383 14.993 1.00 0.00 C ATOM 312 CD LYS A 20 8.451 11.090 15.955 1.00 0.00 C ATOM 313 CE LYS A 20 8.018 11.222 17.412 1.00 0.00 C ATOM 314 NZ LYS A 20 9.140 10.948 18.348 1.00 0.00 N ATOM 0 H LYS A 20 4.905 8.620 13.475 1.00 0.00 H new ATOM 0 HA LYS A 20 4.341 10.829 15.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.231 9.675 15.743 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.840 9.475 14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.717 11.682 14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.730 12.228 15.370 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.825 10.082 15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.275 11.775 15.758 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.635 12.227 17.588 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.200 10.530 17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.807 11.048 19.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.489 9.980 18.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.910 11.625 18.174 1.00 0.00 H new ATOM 328 N ASP A 21 5.621 11.599 12.119 1.00 0.00 N ATOM 329 CA ASP A 21 5.837 12.690 11.169 1.00 0.00 C ATOM 330 C ASP A 21 4.551 13.495 10.971 1.00 0.00 C ATOM 331 O ASP A 21 4.560 14.731 11.027 1.00 0.00 O ATOM 332 CB ASP A 21 6.354 12.136 9.830 1.00 0.00 C ATOM 333 CG ASP A 21 7.780 11.595 9.919 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.200 11.142 11.013 1.00 0.00 O ATOM 335 OD2 ASP A 21 8.490 11.610 8.891 1.00 0.00 O ATOM 0 H ASP A 21 5.877 10.678 11.763 1.00 0.00 H new ATOM 0 HA ASP A 21 6.593 13.362 11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.690 11.341 9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.317 12.924 9.078 1.00 0.00 H new ATOM 340 N ASP A 22 3.437 12.792 10.773 1.00 0.00 N ATOM 341 CA ASP A 22 2.136 13.451 10.658 1.00 0.00 C ATOM 342 C ASP A 22 1.808 14.195 11.949 1.00 0.00 C ATOM 343 O ASP A 22 1.327 15.327 11.919 1.00 0.00 O ATOM 344 CB ASP A 22 1.029 12.439 10.344 1.00 0.00 C ATOM 345 CG ASP A 22 -0.354 13.081 10.289 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.666 13.756 9.287 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.143 12.895 11.239 1.00 0.00 O ATOM 0 H ASP A 22 3.408 11.776 10.689 1.00 0.00 H new ATOM 0 HA ASP A 22 2.191 14.164 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.241 11.959 9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.032 11.656 11.102 1.00 0.00 H new ATOM 352 N ASP A 23 2.097 13.561 13.084 1.00 0.00 N ATOM 353 CA ASP A 23 1.854 14.174 14.392 1.00 0.00 C ATOM 354 C ASP A 23 2.769 15.380 14.613 1.00 0.00 C ATOM 355 O ASP A 23 2.437 16.281 15.382 1.00 0.00 O ATOM 356 CB ASP A 23 2.022 13.155 15.529 1.00 0.00 C ATOM 357 CG ASP A 23 0.832 12.212 15.652 1.00 0.00 C ATOM 358 OD1 ASP A 23 -0.247 12.662 16.095 1.00 0.00 O ATOM 359 OD2 ASP A 23 0.962 11.019 15.313 1.00 0.00 O ATOM 0 H ASP A 23 2.499 12.625 13.126 1.00 0.00 H new ATOM 0 HA ASP A 23 0.821 14.521 14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.927 12.572 15.358 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.158 13.686 16.471 1.00 0.00 H new ATOM 364 N ILE A 24 3.914 15.401 13.933 1.00 0.00 N ATOM 365 CA ILE A 24 4.805 16.558 13.966 1.00 0.00 C ATOM 366 C ILE A 24 4.166 17.701 13.184 1.00 0.00 C ATOM 367 O ILE A 24 4.270 18.872 13.561 1.00 0.00 O ATOM 368 CB ILE A 24 6.208 16.239 13.377 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.922 15.171 14.226 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.059 17.507 13.277 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.292 14.781 13.701 1.00 0.00 C ATOM 0 H ILE A 24 4.246 14.630 13.353 1.00 0.00 H new ATOM 0 HA ILE A 24 4.949 16.841 15.009 1.00 0.00 H new ATOM 0 HB ILE A 24 6.071 15.843 12.371 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.027 15.542 15.246 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.295 14.280 14.274 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.036 17.258 12.862 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.562 18.228 12.628 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.186 17.939 14.270 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.730 14.025 14.353 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.194 14.378 12.693 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.937 15.659 13.680 1.00 0.00 H new ATOM 383 N GLU A 25 3.500 17.345 12.088 1.00 0.00 N ATOM 384 CA GLU A 25 2.713 18.300 11.311 1.00 0.00 C ATOM 385 C GLU A 25 1.486 18.757 12.104 1.00 0.00 C ATOM 386 O GLU A 25 1.006 19.885 11.948 1.00 0.00 O ATOM 387 CB GLU A 25 2.288 17.668 9.983 1.00 0.00 C ATOM 388 CG GLU A 25 3.449 17.377 9.044 1.00 0.00 C ATOM 389 CD GLU A 25 4.157 18.647 8.595 1.00 0.00 C ATOM 390 OE1 GLU A 25 3.602 19.365 7.739 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.258 18.939 9.107 1.00 0.00 O ATOM 0 H GLU A 25 3.490 16.395 11.716 1.00 0.00 H new ATOM 0 HA GLU A 25 3.329 19.175 11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.756 16.739 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.586 18.334 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.163 16.722 9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.081 16.840 8.170 1.00 0.00 H new ATOM 398 N GLU A 26 0.968 17.862 12.939 1.00 0.00 N ATOM 399 CA GLU A 26 -0.099 18.206 13.879 1.00 0.00 C ATOM 400 C GLU A 26 0.449 19.137 14.960 1.00 0.00 C ATOM 401 O GLU A 26 -0.235 20.048 15.428 1.00 0.00 O ATOM 402 CB GLU A 26 -0.679 16.941 14.534 1.00 0.00 C ATOM 403 CG GLU A 26 -1.296 15.951 13.553 1.00 0.00 C ATOM 404 CD GLU A 26 -2.519 16.503 12.841 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.638 16.367 13.376 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.370 17.068 11.737 1.00 0.00 O ATOM 0 H GLU A 26 1.270 16.889 12.986 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.895 18.708 13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.113 16.438 15.089 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.438 17.237 15.258 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.548 15.668 12.812 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.573 15.043 14.088 1.00 0.00 H new ATOM 413 N GLY A 27 1.704 18.897 15.329 1.00 0.00 N ATOM 414 CA GLY A 27 2.353 19.658 16.385 1.00 0.00 C ATOM 415 C GLY A 27 2.179 18.998 17.742 1.00 0.00 C ATOM 416 O GLY A 27 2.369 19.629 18.783 1.00 0.00 O ATOM 0 H GLY A 27 2.292 18.177 14.908 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.415 19.757 16.162 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.939 20.666 16.415 1.00 0.00 H new ATOM 420 N ASP A 28 1.818 17.717 17.718 1.00 0.00 N ATOM 421 CA ASP A 28 1.646 16.919 18.932 1.00 0.00 C ATOM 422 C ASP A 28 2.659 15.779 18.940 1.00 0.00 C ATOM 423 O ASP A 28 2.413 14.720 18.364 1.00 0.00 O ATOM 424 CB ASP A 28 0.217 16.353 19.018 1.00 0.00 C ATOM 425 CG ASP A 28 -0.815 17.402 19.397 1.00 0.00 C ATOM 426 OD1 ASP A 28 -1.254 18.165 18.513 1.00 0.00 O ATOM 427 OD2 ASP A 28 -1.191 17.468 20.589 1.00 0.00 O ATOM 0 H ASP A 28 1.636 17.202 16.857 1.00 0.00 H new ATOM 0 HA ASP A 28 1.811 17.561 19.798 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.053 15.916 18.057 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.195 15.547 19.752 1.00 0.00 H new ATOM 432 N LEU A 29 3.797 16.011 19.589 1.00 0.00 N ATOM 433 CA LEU A 29 4.907 15.055 19.589 1.00 0.00 C ATOM 434 C LEU A 29 4.553 13.801 20.397 1.00 0.00 C ATOM 435 O LEU A 29 4.459 13.855 21.626 1.00 0.00 O ATOM 436 CB LEU A 29 6.185 15.704 20.156 1.00 0.00 C ATOM 437 CG LEU A 29 6.830 16.807 19.288 1.00 0.00 C ATOM 438 CD1 LEU A 29 7.141 16.286 17.886 1.00 0.00 C ATOM 439 CD2 LEU A 29 5.945 18.053 19.222 1.00 0.00 C ATOM 0 H LEU A 29 3.978 16.859 20.126 1.00 0.00 H new ATOM 0 HA LEU A 29 5.091 14.760 18.556 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.950 16.129 21.132 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.924 14.920 20.320 1.00 0.00 H new ATOM 0 HG LEU A 29 7.770 17.092 19.761 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.594 17.081 17.295 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.832 15.446 17.955 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.219 15.958 17.407 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.428 18.810 18.604 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.980 17.791 18.788 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.796 18.447 20.227 1.00 0.00 H new ATOM 451 N LEU A 62 -4.680 8.347 4.345 1.00 0.00 N ATOM 452 CA LEU A 62 -4.859 7.291 3.353 1.00 0.00 C ATOM 453 C LEU A 62 -3.654 6.352 3.350 1.00 0.00 C ATOM 454 O LEU A 62 -2.589 6.684 2.821 1.00 0.00 O ATOM 455 CB LEU A 62 -5.095 7.898 1.957 1.00 0.00 C ATOM 456 CG LEU A 62 -5.741 6.962 0.908 1.00 0.00 C ATOM 457 CD1 LEU A 62 -4.781 5.865 0.450 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.028 6.351 1.462 1.00 0.00 C ATOM 0 HA LEU A 62 -5.740 6.707 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.729 8.778 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.137 8.242 1.566 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.982 7.567 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.277 5.232 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.897 6.319 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.484 5.261 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.471 5.695 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.801 5.776 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.731 7.146 1.709 1.00 0.00 H new ATOM 470 N MET A 63 -3.834 5.184 3.957 1.00 0.00 N ATOM 471 CA MET A 63 -2.811 4.145 3.982 1.00 0.00 C ATOM 472 C MET A 63 -3.462 2.770 3.815 1.00 0.00 C ATOM 473 O MET A 63 -4.206 2.303 4.686 1.00 0.00 O ATOM 474 CB MET A 63 -1.992 4.232 5.284 1.00 0.00 C ATOM 475 CG MET A 63 -2.833 4.283 6.557 1.00 0.00 C ATOM 476 SD MET A 63 -1.850 4.649 8.029 1.00 0.00 S ATOM 477 CE MET A 63 -0.713 3.264 8.046 1.00 0.00 C ATOM 0 H MET A 63 -4.693 4.931 4.445 1.00 0.00 H new ATOM 0 HA MET A 63 -2.122 4.295 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.326 3.371 5.338 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.362 5.121 5.244 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.608 5.041 6.445 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.339 3.327 6.692 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.065 3.441 8.788 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.254 2.352 8.299 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.258 3.155 7.062 1.00 0.00 H new ATOM 487 N MET A 64 -3.198 2.140 2.672 1.00 0.00 N ATOM 488 CA MET A 64 -3.830 0.873 2.308 1.00 0.00 C ATOM 489 C MET A 64 -2.813 -0.264 2.265 1.00 0.00 C ATOM 490 O MET A 64 -1.756 -0.140 1.641 1.00 0.00 O ATOM 491 CB MET A 64 -4.499 0.978 0.927 1.00 0.00 C ATOM 492 CG MET A 64 -5.583 2.043 0.822 1.00 0.00 C ATOM 493 SD MET A 64 -6.385 2.042 -0.798 1.00 0.00 S ATOM 494 CE MET A 64 -7.603 3.339 -0.595 1.00 0.00 C ATOM 0 H MET A 64 -2.542 2.492 1.974 1.00 0.00 H new ATOM 0 HA MET A 64 -4.578 0.659 3.071 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.731 1.186 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.934 0.011 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.331 1.875 1.596 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.146 3.024 1.009 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.585 2.963 -0.881 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.625 3.657 0.447 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.340 4.187 -1.228 1.00 0.00 H new ATOM 504 N PHE A 65 -3.139 -1.366 2.931 1.00 0.00 N ATOM 505 CA PHE A 65 -2.391 -2.613 2.783 1.00 0.00 C ATOM 506 C PHE A 65 -3.163 -3.522 1.833 1.00 0.00 C ATOM 507 O PHE A 65 -4.309 -3.880 2.110 1.00 0.00 O ATOM 508 CB PHE A 65 -2.195 -3.312 4.141 1.00 0.00 C ATOM 509 CG PHE A 65 -1.201 -2.647 5.068 1.00 0.00 C ATOM 510 CD1 PHE A 65 -0.732 -1.360 4.828 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.732 -3.321 6.188 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.177 -0.766 5.681 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.178 -2.729 7.043 1.00 0.00 C ATOM 514 CZ PHE A 65 0.631 -1.451 6.789 1.00 0.00 C ATOM 0 H PHE A 65 -3.921 -1.423 3.583 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.401 -2.394 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.159 -3.367 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.871 -4.337 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.084 -0.818 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.083 -4.321 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.532 0.234 5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.534 -3.266 7.909 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.341 -0.987 7.457 1.00 0.00 H new ATOM 524 N VAL A 66 -2.559 -3.883 0.708 1.00 0.00 N ATOM 525 CA VAL A 66 -3.251 -4.670 -0.308 1.00 0.00 C ATOM 526 C VAL A 66 -2.614 -6.051 -0.433 1.00 0.00 C ATOM 527 O VAL A 66 -1.553 -6.199 -1.038 1.00 0.00 O ATOM 528 CB VAL A 66 -3.219 -3.957 -1.685 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.062 -4.711 -2.711 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.685 -2.505 -1.557 1.00 0.00 C ATOM 0 H VAL A 66 -1.595 -3.645 0.475 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.290 -4.777 0.004 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.188 -3.952 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.023 -4.190 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.671 -5.721 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.095 -4.761 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.654 -2.025 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.705 -2.483 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.028 -1.971 -0.870 1.00 0.00 H new ATOM 540 N THR A 67 -3.249 -7.057 0.157 1.00 0.00 N ATOM 541 CA THR A 67 -2.751 -8.422 0.060 1.00 0.00 C ATOM 542 C THR A 67 -3.227 -9.046 -1.253 1.00 0.00 C ATOM 543 O THR A 67 -4.410 -9.355 -1.426 1.00 0.00 O ATOM 544 CB THR A 67 -3.165 -9.287 1.284 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.732 -10.642 1.107 1.00 0.00 O ATOM 546 CG2 THR A 67 -4.669 -9.251 1.530 1.00 0.00 C ATOM 0 H THR A 67 -4.104 -6.954 0.704 1.00 0.00 H new ATOM 0 HA THR A 67 -1.661 -8.390 0.065 1.00 0.00 H new ATOM 0 HB THR A 67 -2.676 -8.860 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.998 -11.175 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.911 -9.869 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.982 -8.224 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.190 -9.634 0.653 1.00 0.00 H new ATOM 554 N VAL A 68 -2.298 -9.181 -2.195 1.00 0.00 N ATOM 555 CA VAL A 68 -2.624 -9.619 -3.547 1.00 0.00 C ATOM 556 C VAL A 68 -2.281 -11.090 -3.737 1.00 0.00 C ATOM 557 O VAL A 68 -3.151 -11.915 -4.018 1.00 0.00 O ATOM 558 CB VAL A 68 -1.858 -8.786 -4.604 1.00 0.00 C ATOM 559 CG1 VAL A 68 -2.376 -9.082 -6.012 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.950 -7.297 -4.286 1.00 0.00 C ATOM 0 H VAL A 68 -1.307 -8.992 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.696 -9.474 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.807 -9.074 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.822 -8.485 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.240 -10.140 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.435 -8.832 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.405 -6.729 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.996 -6.989 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.515 -7.107 -3.305 1.00 0.00 H new ATOM 570 N SER A 69 -1.000 -11.404 -3.573 1.00 0.00 N ATOM 571 CA SER A 69 -0.503 -12.752 -3.802 1.00 0.00 C ATOM 572 C SER A 69 -0.956 -13.689 -2.689 1.00 0.00 C ATOM 573 O SER A 69 -1.664 -14.669 -2.929 1.00 0.00 O ATOM 574 CB SER A 69 1.033 -12.738 -3.899 1.00 0.00 C ATOM 575 OG SER A 69 1.555 -14.046 -4.061 1.00 0.00 O ATOM 0 H SER A 69 -0.285 -10.738 -3.281 1.00 0.00 H new ATOM 0 HA SER A 69 -0.913 -13.118 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.340 -12.116 -4.740 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.451 -12.287 -2.999 1.00 0.00 H new ATOM 0 HG SER A 69 2.327 -14.166 -3.469 1.00 0.00 H new ATOM 581 N GLY A 70 -0.562 -13.362 -1.467 1.00 0.00 N ATOM 582 CA GLY A 70 -0.802 -14.252 -0.345 1.00 0.00 C ATOM 583 C GLY A 70 0.154 -15.431 -0.355 1.00 0.00 C ATOM 584 O GLY A 70 0.083 -16.308 0.509 1.00 0.00 O ATOM 0 H GLY A 70 -0.079 -12.495 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.691 -13.700 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.829 -14.615 -0.381 1.00 0.00 H new ATOM 588 N ASN A 71 1.044 -15.455 -1.343 1.00 0.00 N ATOM 589 CA ASN A 71 2.059 -16.494 -1.459 1.00 0.00 C ATOM 590 C ASN A 71 3.443 -15.840 -1.567 1.00 0.00 C ATOM 591 O ASN A 71 3.631 -14.908 -2.354 1.00 0.00 O ATOM 592 CB ASN A 71 1.767 -17.382 -2.680 1.00 0.00 C ATOM 593 CG ASN A 71 2.688 -18.587 -2.760 1.00 0.00 C ATOM 594 OD1 ASN A 71 2.417 -19.634 -2.167 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.768 -18.457 -3.510 1.00 0.00 N ATOM 0 H ASN A 71 1.081 -14.755 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 71 2.042 -17.128 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.732 -17.722 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.871 -16.789 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.413 -19.240 -3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.956 -17.574 -3.984 1.00 0.00 H new ATOM 602 N PRO A 72 4.428 -16.323 -0.777 1.00 0.00 N ATOM 603 CA PRO A 72 5.750 -15.678 -0.630 1.00 0.00 C ATOM 604 C PRO A 72 6.536 -15.523 -1.947 1.00 0.00 C ATOM 605 O PRO A 72 7.492 -14.744 -2.007 1.00 0.00 O ATOM 606 CB PRO A 72 6.502 -16.596 0.353 1.00 0.00 C ATOM 607 CG PRO A 72 5.432 -17.362 1.057 1.00 0.00 C ATOM 608 CD PRO A 72 4.327 -17.540 0.053 1.00 0.00 C ATOM 0 HA PRO A 72 5.636 -14.651 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.185 -17.263 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.101 -16.016 1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.805 -18.326 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.079 -16.823 1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.463 -18.444 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.353 -17.619 0.536 1.00 0.00 H new ATOM 616 N THR A 73 6.158 -16.275 -2.981 1.00 0.00 N ATOM 617 CA THR A 73 6.857 -16.229 -4.268 1.00 0.00 C ATOM 618 C THR A 73 6.869 -14.812 -4.864 1.00 0.00 C ATOM 619 O THR A 73 5.843 -14.311 -5.339 1.00 0.00 O ATOM 620 CB THR A 73 6.231 -17.209 -5.285 1.00 0.00 C ATOM 621 OG1 THR A 73 4.822 -16.978 -5.377 1.00 0.00 O ATOM 622 CG2 THR A 73 6.500 -18.658 -4.890 1.00 0.00 C ATOM 0 H THR A 73 5.371 -16.924 -2.954 1.00 0.00 H new ATOM 0 HA THR A 73 7.886 -16.530 -4.071 1.00 0.00 H new ATOM 0 HB THR A 73 6.691 -17.034 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.430 -17.601 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.048 -19.325 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.575 -18.832 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.069 -18.853 -3.908 1.00 0.00 H new ATOM 630 N GLU A 74 8.046 -14.184 -4.821 1.00 0.00 N ATOM 631 CA GLU A 74 8.276 -12.832 -5.346 1.00 0.00 C ATOM 632 C GLU A 74 7.704 -12.641 -6.755 1.00 0.00 C ATOM 633 O GLU A 74 7.285 -11.540 -7.115 1.00 0.00 O ATOM 634 CB GLU A 74 9.784 -12.548 -5.364 1.00 0.00 C ATOM 635 CG GLU A 74 10.443 -12.643 -3.991 1.00 0.00 C ATOM 636 CD GLU A 74 11.962 -12.652 -4.069 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.567 -11.567 -4.178 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.558 -13.750 -4.024 1.00 0.00 O ATOM 0 H GLU A 74 8.881 -14.606 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 74 7.758 -12.133 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.269 -13.252 -6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.952 -11.550 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.120 -11.802 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.103 -13.550 -3.491 1.00 0.00 H new ATOM 645 N LYS A 75 7.691 -13.719 -7.535 1.00 0.00 N ATOM 646 CA LYS A 75 7.220 -13.676 -8.924 1.00 0.00 C ATOM 647 C LYS A 75 5.863 -12.980 -9.023 1.00 0.00 C ATOM 648 O LYS A 75 5.680 -12.046 -9.811 1.00 0.00 O ATOM 649 CB LYS A 75 7.101 -15.099 -9.508 1.00 0.00 C ATOM 650 CG LYS A 75 8.429 -15.838 -9.684 1.00 0.00 C ATOM 651 CD LYS A 75 9.013 -16.335 -8.361 1.00 0.00 C ATOM 652 CE LYS A 75 10.309 -17.105 -8.582 1.00 0.00 C ATOM 653 NZ LYS A 75 10.870 -17.641 -7.313 1.00 0.00 N ATOM 0 H LYS A 75 8.003 -14.641 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 75 7.954 -13.110 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.457 -15.690 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.605 -15.038 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.281 -16.687 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.147 -15.175 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.199 -15.487 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.288 -16.976 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.127 -17.928 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.042 -16.450 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.751 -18.157 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.070 -16.855 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.183 -18.287 -6.875 1.00 0.00 H new ATOM 667 N GLU A 76 4.930 -13.430 -8.190 1.00 0.00 N ATOM 668 CA GLU A 76 3.551 -12.961 -8.234 1.00 0.00 C ATOM 669 C GLU A 76 3.467 -11.455 -8.013 1.00 0.00 C ATOM 670 O GLU A 76 2.839 -10.737 -8.795 1.00 0.00 O ATOM 671 CB GLU A 76 2.713 -13.690 -7.173 1.00 0.00 C ATOM 672 CG GLU A 76 2.788 -15.210 -7.268 1.00 0.00 C ATOM 673 CD GLU A 76 2.381 -15.733 -8.635 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.166 -15.832 -8.900 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.273 -16.045 -9.454 1.00 0.00 O ATOM 0 H GLU A 76 5.109 -14.128 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 76 3.155 -13.180 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.048 -13.380 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.672 -13.380 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.805 -15.534 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.142 -15.650 -6.508 1.00 0.00 H new ATOM 682 N THR A 77 4.118 -10.977 -6.953 1.00 0.00 N ATOM 683 CA THR A 77 4.031 -9.572 -6.581 1.00 0.00 C ATOM 684 C THR A 77 4.717 -8.692 -7.623 1.00 0.00 C ATOM 685 O THR A 77 4.209 -7.628 -7.966 1.00 0.00 O ATOM 686 CB THR A 77 4.623 -9.301 -5.173 1.00 0.00 C ATOM 687 OG1 THR A 77 4.325 -7.962 -4.759 1.00 0.00 O ATOM 688 CG2 THR A 77 6.135 -9.513 -5.138 1.00 0.00 C ATOM 0 H THR A 77 4.708 -11.542 -6.342 1.00 0.00 H new ATOM 0 HA THR A 77 2.972 -9.318 -6.545 1.00 0.00 H new ATOM 0 HB THR A 77 4.163 -10.014 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.559 -7.852 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.507 -9.312 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.364 -10.543 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.614 -8.835 -5.845 1.00 0.00 H new ATOM 696 N GLU A 78 5.857 -9.147 -8.149 1.00 0.00 N ATOM 697 CA GLU A 78 6.568 -8.388 -9.170 1.00 0.00 C ATOM 698 C GLU A 78 5.664 -8.178 -10.380 1.00 0.00 C ATOM 699 O GLU A 78 5.449 -7.047 -10.814 1.00 0.00 O ATOM 700 CB GLU A 78 7.860 -9.095 -9.601 1.00 0.00 C ATOM 701 CG GLU A 78 8.678 -8.285 -10.604 1.00 0.00 C ATOM 702 CD GLU A 78 9.853 -9.052 -11.181 1.00 0.00 C ATOM 703 OE1 GLU A 78 9.653 -9.806 -12.157 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.986 -8.894 -10.678 1.00 0.00 O ATOM 0 H GLU A 78 6.300 -10.027 -7.886 1.00 0.00 H new ATOM 0 HA GLU A 78 6.841 -7.423 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.470 -9.294 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.610 -10.061 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.028 -7.965 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.047 -7.382 -10.117 1.00 0.00 H new ATOM 711 N GLU A 79 5.119 -9.279 -10.896 1.00 0.00 N ATOM 712 CA GLU A 79 4.225 -9.235 -12.050 1.00 0.00 C ATOM 713 C GLU A 79 3.052 -8.285 -11.803 1.00 0.00 C ATOM 714 O GLU A 79 2.912 -7.260 -12.480 1.00 0.00 O ATOM 715 CB GLU A 79 3.695 -10.643 -12.368 1.00 0.00 C ATOM 716 CG GLU A 79 4.740 -11.583 -12.956 1.00 0.00 C ATOM 717 CD GLU A 79 5.248 -11.118 -14.313 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.425 -10.986 -15.246 1.00 0.00 O ATOM 719 OE2 GLU A 79 6.471 -10.894 -14.460 1.00 0.00 O ATOM 0 H GLU A 79 5.283 -10.217 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 79 4.796 -8.864 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.298 -11.085 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.864 -10.557 -13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.580 -11.664 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.312 -12.580 -13.055 1.00 0.00 H new ATOM 726 N ILE A 80 2.233 -8.617 -10.809 1.00 0.00 N ATOM 727 CA ILE A 80 0.986 -7.901 -10.577 1.00 0.00 C ATOM 728 C ILE A 80 1.238 -6.430 -10.211 1.00 0.00 C ATOM 729 O ILE A 80 0.612 -5.532 -10.774 1.00 0.00 O ATOM 730 CB ILE A 80 0.121 -8.598 -9.485 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.305 -8.021 -9.470 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.763 -8.478 -8.101 1.00 0.00 C ATOM 733 CD1 ILE A 80 -2.080 -8.265 -10.753 1.00 0.00 C ATOM 0 H ILE A 80 2.412 -9.377 -10.153 1.00 0.00 H new ATOM 0 HA ILE A 80 0.428 -7.923 -11.513 1.00 0.00 H new ATOM 0 HB ILE A 80 0.065 -9.657 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.855 -8.458 -8.636 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.250 -6.948 -9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.133 -8.975 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.746 -8.948 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.867 -7.425 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.075 -7.829 -10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.554 -7.804 -11.589 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.168 -9.337 -10.927 1.00 0.00 H new ATOM 745 N THR A 81 2.178 -6.184 -9.298 1.00 0.00 N ATOM 746 CA THR A 81 2.464 -4.826 -8.841 1.00 0.00 C ATOM 747 C THR A 81 3.094 -3.987 -9.959 1.00 0.00 C ATOM 748 O THR A 81 2.873 -2.776 -10.027 1.00 0.00 O ATOM 749 CB THR A 81 3.380 -4.830 -7.594 1.00 0.00 C ATOM 750 OG1 THR A 81 2.786 -5.631 -6.558 1.00 0.00 O ATOM 751 CG2 THR A 81 3.619 -3.417 -7.066 1.00 0.00 C ATOM 0 H THR A 81 2.752 -6.906 -8.862 1.00 0.00 H new ATOM 0 HA THR A 81 1.513 -4.372 -8.563 1.00 0.00 H new ATOM 0 HB THR A 81 4.342 -5.250 -7.889 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.054 -6.566 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.267 -3.461 -6.190 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.095 -2.815 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.666 -2.966 -6.790 1.00 0.00 H new ATOM 759 N SER A 82 3.860 -4.629 -10.841 1.00 0.00 N ATOM 760 CA SER A 82 4.459 -3.927 -11.976 1.00 0.00 C ATOM 761 C SER A 82 3.365 -3.485 -12.949 1.00 0.00 C ATOM 762 O SER A 82 3.364 -2.347 -13.426 1.00 0.00 O ATOM 763 CB SER A 82 5.484 -4.820 -12.690 1.00 0.00 C ATOM 764 OG SER A 82 6.173 -4.110 -13.709 1.00 0.00 O ATOM 0 H SER A 82 4.079 -5.624 -10.793 1.00 0.00 H new ATOM 0 HA SER A 82 4.981 -3.045 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.201 -5.204 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.977 -5.682 -13.125 1.00 0.00 H new ATOM 0 HG SER A 82 6.819 -4.706 -14.143 1.00 0.00 H new ATOM 770 N LEU A 83 2.423 -4.392 -13.225 1.00 0.00 N ATOM 771 CA LEU A 83 1.281 -4.081 -14.084 1.00 0.00 C ATOM 772 C LEU A 83 0.459 -2.943 -13.479 1.00 0.00 C ATOM 773 O LEU A 83 0.002 -2.041 -14.189 1.00 0.00 O ATOM 774 CB LEU A 83 0.399 -5.325 -14.278 1.00 0.00 C ATOM 775 CG LEU A 83 1.076 -6.514 -14.983 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.129 -7.710 -15.057 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.557 -6.116 -16.378 1.00 0.00 C ATOM 0 H LEU A 83 2.430 -5.346 -12.865 1.00 0.00 H new ATOM 0 HA LEU A 83 1.657 -3.766 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.048 -5.656 -13.301 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.482 -5.038 -14.852 1.00 0.00 H new ATOM 0 HG LEU A 83 1.946 -6.806 -14.395 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.628 -8.539 -15.559 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.153 -8.013 -14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.765 -7.432 -15.616 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.032 -6.972 -16.857 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.706 -5.791 -16.977 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.276 -5.301 -16.296 1.00 0.00 H new ATOM 789 N TRP A 84 0.286 -2.993 -12.160 1.00 0.00 N ATOM 790 CA TRP A 84 -0.430 -1.950 -11.433 1.00 0.00 C ATOM 791 C TRP A 84 0.294 -0.619 -11.553 1.00 0.00 C ATOM 792 O TRP A 84 -0.319 0.401 -11.858 1.00 0.00 O ATOM 793 CB TRP A 84 -0.584 -2.324 -9.955 1.00 0.00 C ATOM 794 CG TRP A 84 -1.538 -3.453 -9.717 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.075 -4.288 -10.653 1.00 0.00 C ATOM 796 CD2 TRP A 84 -2.070 -3.868 -8.456 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.905 -5.196 -10.050 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.922 -4.957 -8.703 1.00 0.00 C ATOM 799 CE3 TRP A 84 -1.907 -3.423 -7.143 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.610 -5.608 -7.688 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -2.592 -4.070 -6.134 1.00 0.00 C ATOM 802 CH2 TRP A 84 -3.434 -5.151 -6.413 1.00 0.00 C ATOM 0 H TRP A 84 0.634 -3.750 -11.571 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.421 -1.855 -11.876 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.393 -2.595 -9.554 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.925 -1.449 -9.401 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.875 -4.240 -11.713 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.426 -5.931 -10.528 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.258 -2.589 -6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.260 -6.444 -7.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.476 -3.736 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.957 -5.636 -5.602 1.00 0.00 H new ATOM 813 N GLN A 85 1.604 -0.643 -11.322 1.00 0.00 N ATOM 814 CA GLN A 85 2.424 0.557 -11.404 1.00 0.00 C ATOM 815 C GLN A 85 2.264 1.206 -12.774 1.00 0.00 C ATOM 816 O GLN A 85 1.873 2.372 -12.872 1.00 0.00 O ATOM 817 CB GLN A 85 3.893 0.203 -11.127 1.00 0.00 C ATOM 818 CG GLN A 85 4.869 1.356 -11.340 1.00 0.00 C ATOM 819 CD GLN A 85 6.257 1.044 -10.807 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.574 1.359 -9.658 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.082 0.404 -11.620 1.00 0.00 N ATOM 0 H GLN A 85 2.121 -1.487 -11.075 1.00 0.00 H new ATOM 0 HA GLN A 85 2.096 1.273 -10.650 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.982 -0.147 -10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.182 -0.626 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.934 1.582 -12.404 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.485 2.249 -10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.781 0.161 -12.564 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.018 0.154 -11.303 1.00 0.00 H new ATOM 830 N GLY A 86 2.570 0.441 -13.822 1.00 0.00 N ATOM 831 CA GLY A 86 2.335 0.893 -15.183 1.00 0.00 C ATOM 832 C GLY A 86 0.982 1.556 -15.362 1.00 0.00 C ATOM 833 O GLY A 86 0.909 2.723 -15.739 1.00 0.00 O ATOM 0 H GLY A 86 2.979 -0.490 -13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.118 1.596 -15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.409 0.042 -15.860 1.00 0.00 H new ATOM 837 N SER A 87 -0.086 0.819 -15.054 1.00 0.00 N ATOM 838 CA SER A 87 -1.455 1.309 -15.244 1.00 0.00 C ATOM 839 C SER A 87 -1.703 2.615 -14.480 1.00 0.00 C ATOM 840 O SER A 87 -2.202 3.592 -15.047 1.00 0.00 O ATOM 841 CB SER A 87 -2.461 0.239 -14.803 1.00 0.00 C ATOM 842 OG SER A 87 -2.288 -0.961 -15.544 1.00 0.00 O ATOM 0 H SER A 87 -0.030 -0.124 -14.670 1.00 0.00 H new ATOM 0 HA SER A 87 -1.589 1.518 -16.305 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.337 0.035 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.476 0.611 -14.940 1.00 0.00 H new ATOM 0 HG SER A 87 -1.509 -1.448 -15.201 1.00 0.00 H new ATOM 848 N LEU A 88 -1.341 2.628 -13.200 1.00 0.00 N ATOM 849 CA LEU A 88 -1.563 3.789 -12.342 1.00 0.00 C ATOM 850 C LEU A 88 -0.823 5.015 -12.874 1.00 0.00 C ATOM 851 O LEU A 88 -1.432 6.050 -13.143 1.00 0.00 O ATOM 852 CB LEU A 88 -1.113 3.480 -10.906 1.00 0.00 C ATOM 853 CG LEU A 88 -1.935 2.404 -10.174 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.329 2.098 -8.805 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.393 2.843 -10.038 1.00 0.00 C ATOM 0 H LEU A 88 -0.890 1.842 -12.731 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.630 4.011 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.070 3.163 -10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.152 4.401 -10.325 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.908 1.490 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.926 1.335 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.309 1.736 -8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.319 3.005 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.959 2.070 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.442 3.772 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.819 3.000 -11.029 1.00 0.00 H new ATOM 867 N PHE A 89 0.486 4.886 -13.040 1.00 0.00 N ATOM 868 CA PHE A 89 1.316 5.999 -13.497 1.00 0.00 C ATOM 869 C PHE A 89 1.005 6.356 -14.954 1.00 0.00 C ATOM 870 O PHE A 89 1.278 7.469 -15.399 1.00 0.00 O ATOM 871 CB PHE A 89 2.806 5.678 -13.305 1.00 0.00 C ATOM 872 CG PHE A 89 3.232 5.694 -11.853 1.00 0.00 C ATOM 873 CD1 PHE A 89 3.047 4.583 -11.040 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.810 6.829 -11.299 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.425 4.604 -9.710 1.00 0.00 C ATOM 876 CE2 PHE A 89 4.193 6.854 -9.969 1.00 0.00 C ATOM 877 CZ PHE A 89 4.000 5.741 -9.174 1.00 0.00 C ATOM 0 H PHE A 89 0.999 4.022 -12.866 1.00 0.00 H new ATOM 0 HA PHE A 89 1.080 6.872 -12.889 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.018 4.697 -13.729 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.402 6.401 -13.861 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.601 3.690 -11.453 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.963 7.704 -11.914 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.271 3.733 -9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.643 7.744 -9.553 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.298 5.759 -8.136 1.00 0.00 H new ATOM 887 N ASN A 90 0.405 5.411 -15.677 1.00 0.00 N ATOM 888 CA ASN A 90 -0.047 5.644 -17.053 1.00 0.00 C ATOM 889 C ASN A 90 -1.222 6.620 -17.064 1.00 0.00 C ATOM 890 O ASN A 90 -1.336 7.472 -17.949 1.00 0.00 O ATOM 891 CB ASN A 90 -0.447 4.312 -17.707 1.00 0.00 C ATOM 892 CG ASN A 90 -1.033 4.460 -19.101 1.00 0.00 C ATOM 893 OD1 ASN A 90 -0.709 5.391 -19.841 1.00 0.00 O ATOM 894 ND2 ASN A 90 -1.885 3.519 -19.478 1.00 0.00 N ATOM 0 H ASN A 90 0.219 4.470 -15.332 1.00 0.00 H new ATOM 0 HA ASN A 90 0.771 6.082 -17.626 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.430 3.667 -17.759 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.175 3.810 -17.069 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.298 3.549 -20.410 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.128 2.764 -18.836 1.00 0.00 H new ATOM 901 N ALA A 91 -2.097 6.490 -16.070 1.00 0.00 N ATOM 902 CA ALA A 91 -3.212 7.420 -15.890 1.00 0.00 C ATOM 903 C ALA A 91 -2.812 8.547 -14.935 1.00 0.00 C ATOM 904 O ALA A 91 -3.632 9.392 -14.565 1.00 0.00 O ATOM 905 CB ALA A 91 -4.437 6.676 -15.370 1.00 0.00 C ATOM 0 H ALA A 91 -2.056 5.746 -15.373 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.464 7.863 -16.854 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.261 7.378 -15.240 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.726 5.906 -16.085 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.201 6.211 -14.413 1.00 0.00 H new ATOM 911 N ASN A 92 -1.534 8.539 -14.558 1.00 0.00 N ATOM 912 CA ASN A 92 -0.943 9.531 -13.659 1.00 0.00 C ATOM 913 C ASN A 92 -1.557 9.459 -12.259 1.00 0.00 C ATOM 914 O ASN A 92 -2.257 10.370 -11.813 1.00 0.00 O ATOM 915 CB ASN A 92 -1.040 10.953 -14.244 1.00 0.00 C ATOM 916 CG ASN A 92 -0.238 11.974 -13.441 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.778 12.690 -12.597 1.00 0.00 O ATOM 918 ND2 ASN A 92 1.063 12.035 -13.688 1.00 0.00 N ATOM 0 H ASN A 92 -0.869 7.832 -14.873 1.00 0.00 H new ATOM 0 HA ASN A 92 0.116 9.289 -13.562 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.682 10.944 -15.273 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.086 11.259 -14.273 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.650 12.690 -13.172 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.477 11.427 -14.394 1.00 0.00 H new ATOM 925 N TYR A 93 -1.325 8.334 -11.593 1.00 0.00 N ATOM 926 CA TYR A 93 -1.619 8.190 -10.171 1.00 0.00 C ATOM 927 C TYR A 93 -0.314 8.312 -9.397 1.00 0.00 C ATOM 928 O TYR A 93 0.377 7.317 -9.163 1.00 0.00 O ATOM 929 CB TYR A 93 -2.282 6.837 -9.863 1.00 0.00 C ATOM 930 CG TYR A 93 -3.735 6.727 -10.295 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.091 6.756 -11.637 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.750 6.579 -9.353 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.412 6.647 -12.027 1.00 0.00 C ATOM 934 CE2 TYR A 93 -6.072 6.464 -9.738 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.396 6.499 -11.076 1.00 0.00 C ATOM 936 OH TYR A 93 -7.710 6.374 -11.471 1.00 0.00 O ATOM 0 H TYR A 93 -0.929 7.497 -12.022 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.319 8.971 -9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.711 6.048 -10.353 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.222 6.654 -8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.323 6.866 -12.388 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.499 6.554 -8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.672 6.678 -13.075 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.846 6.347 -8.994 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.238 7.106 -11.088 1.00 0.00 H new ATOM 946 N ASP A 94 0.045 9.539 -9.047 1.00 0.00 N ATOM 947 CA ASP A 94 1.297 9.800 -8.344 1.00 0.00 C ATOM 948 C ASP A 94 1.151 9.423 -6.870 1.00 0.00 C ATOM 949 O ASP A 94 1.033 10.284 -5.995 1.00 0.00 O ATOM 950 CB ASP A 94 1.703 11.273 -8.507 1.00 0.00 C ATOM 951 CG ASP A 94 3.158 11.531 -8.143 1.00 0.00 C ATOM 952 OD1 ASP A 94 4.041 11.279 -8.996 1.00 0.00 O ATOM 953 OD2 ASP A 94 3.431 12.006 -7.019 1.00 0.00 O ATOM 0 H ASP A 94 -0.512 10.372 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 94 2.088 9.188 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.532 11.579 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.062 11.893 -7.880 1.00 0.00 H new ATOM 958 N VAL A 95 1.111 8.119 -6.617 1.00 0.00 N ATOM 959 CA VAL A 95 0.927 7.589 -5.270 1.00 0.00 C ATOM 960 C VAL A 95 2.252 7.056 -4.733 1.00 0.00 C ATOM 961 O VAL A 95 3.173 6.776 -5.509 1.00 0.00 O ATOM 962 CB VAL A 95 -0.132 6.448 -5.251 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.398 6.867 -6.001 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.436 5.152 -5.834 1.00 0.00 C ATOM 0 H VAL A 95 1.205 7.402 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 95 0.571 8.402 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.396 6.260 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.123 6.053 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.826 7.750 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.148 7.096 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.328 4.375 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.744 5.321 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.297 4.835 -5.246 1.00 0.00 H new ATOM 974 N GLN A 96 2.356 6.900 -3.417 1.00 0.00 N ATOM 975 CA GLN A 96 3.562 6.342 -2.821 1.00 0.00 C ATOM 976 C GLN A 96 3.310 4.885 -2.455 1.00 0.00 C ATOM 977 O GLN A 96 2.601 4.584 -1.493 1.00 0.00 O ATOM 978 CB GLN A 96 4.005 7.154 -1.592 1.00 0.00 C ATOM 979 CG GLN A 96 5.329 6.689 -0.980 1.00 0.00 C ATOM 980 CD GLN A 96 6.526 6.836 -1.920 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.401 6.756 -3.141 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.704 7.044 -1.350 1.00 0.00 N ATOM 0 H GLN A 96 1.626 7.150 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 96 4.374 6.394 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.097 8.202 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.226 7.097 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.520 7.260 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.236 5.644 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.775 7.106 -0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.539 7.143 -1.927 1.00 0.00 H new ATOM 991 N ARG A 97 3.876 3.985 -3.248 1.00 0.00 N ATOM 992 CA ARG A 97 3.632 2.555 -3.100 1.00 0.00 C ATOM 993 C ARG A 97 4.942 1.830 -2.818 1.00 0.00 C ATOM 994 O ARG A 97 5.997 2.226 -3.325 1.00 0.00 O ATOM 995 CB ARG A 97 2.968 1.978 -4.370 1.00 0.00 C ATOM 996 CG ARG A 97 3.913 1.774 -5.563 1.00 0.00 C ATOM 997 CD ARG A 97 4.490 3.087 -6.093 1.00 0.00 C ATOM 998 NE ARG A 97 5.542 2.858 -7.092 1.00 0.00 N ATOM 999 CZ ARG A 97 6.779 3.359 -7.007 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.132 4.107 -5.968 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.668 3.104 -7.960 1.00 0.00 N ATOM 0 H ARG A 97 4.514 4.223 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 97 2.953 2.406 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.512 1.020 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.162 2.645 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.730 1.117 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.375 1.269 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.691 3.682 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.896 3.666 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 97 5.315 2.281 -7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.458 4.303 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.077 4.486 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.408 2.525 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.611 3.487 -7.893 1.00 0.00 H new ATOM 1015 N PHE A 98 4.874 0.784 -2.006 1.00 0.00 N ATOM 1016 CA PHE A 98 6.040 -0.031 -1.696 1.00 0.00 C ATOM 1017 C PHE A 98 5.705 -1.508 -1.875 1.00 0.00 C ATOM 1018 O PHE A 98 4.716 -2.010 -1.325 1.00 0.00 O ATOM 1019 CB PHE A 98 6.529 0.228 -0.264 1.00 0.00 C ATOM 1020 CG PHE A 98 6.865 1.671 0.013 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.048 2.223 -0.455 1.00 0.00 C ATOM 1022 CD2 PHE A 98 5.998 2.474 0.740 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.357 3.544 -0.204 1.00 0.00 C ATOM 1024 CE2 PHE A 98 6.305 3.797 0.992 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.486 4.332 0.522 1.00 0.00 C ATOM 0 H PHE A 98 4.016 0.478 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 98 6.841 0.243 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.760 -0.097 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.411 -0.383 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.735 1.612 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.073 2.060 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.281 3.962 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.620 4.412 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.729 5.365 0.721 1.00 0.00 H new ATOM 1035 N ILE A 99 6.527 -2.190 -2.662 1.00 0.00 N ATOM 1036 CA ILE A 99 6.374 -3.617 -2.899 1.00 0.00 C ATOM 1037 C ILE A 99 7.343 -4.401 -2.009 1.00 0.00 C ATOM 1038 O ILE A 99 8.500 -4.632 -2.364 1.00 0.00 O ATOM 1039 CB ILE A 99 6.592 -3.965 -4.401 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.559 -5.489 -4.629 1.00 0.00 C ATOM 1041 CG2 ILE A 99 7.895 -3.359 -4.929 1.00 0.00 C ATOM 1042 CD1 ILE A 99 6.741 -5.898 -6.078 1.00 0.00 C ATOM 0 H ILE A 99 7.316 -1.770 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 99 5.354 -3.902 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 99 5.769 -3.524 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.342 -5.953 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.608 -5.880 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.018 -3.620 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.860 -2.274 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.736 -3.750 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.706 -6.985 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.943 -5.465 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.705 -5.539 -6.439 1.00 0.00 H new ATOM 1054 N VAL A 100 6.875 -4.759 -0.821 1.00 0.00 N ATOM 1055 CA VAL A 100 7.674 -5.516 0.134 1.00 0.00 C ATOM 1056 C VAL A 100 6.820 -6.610 0.760 1.00 0.00 C ATOM 1057 O VAL A 100 5.724 -6.342 1.249 1.00 0.00 O ATOM 1058 CB VAL A 100 8.278 -4.602 1.235 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.197 -3.791 1.952 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.094 -5.422 2.231 1.00 0.00 C ATOM 0 H VAL A 100 5.936 -4.534 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 100 8.508 -5.967 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 100 8.945 -3.893 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.658 -3.164 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.676 -3.161 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.485 -4.469 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.508 -4.762 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.451 -6.164 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.907 -5.926 1.708 1.00 0.00 H new ATOM 1070 N GLY A 101 7.322 -7.839 0.737 1.00 0.00 N ATOM 1071 CA GLY A 101 6.525 -8.975 1.152 1.00 0.00 C ATOM 1072 C GLY A 101 5.525 -9.345 0.074 1.00 0.00 C ATOM 1073 O GLY A 101 4.468 -8.729 -0.027 1.00 0.00 O ATOM 0 H GLY A 101 8.270 -8.068 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.174 -9.825 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.000 -8.740 2.078 1.00 0.00 H new ATOM 1077 N SER A 102 5.874 -10.346 -0.733 1.00 0.00 N ATOM 1078 CA SER A 102 5.100 -10.725 -1.919 1.00 0.00 C ATOM 1079 C SER A 102 3.596 -10.788 -1.644 1.00 0.00 C ATOM 1080 O SER A 102 2.781 -10.511 -2.530 1.00 0.00 O ATOM 1081 CB SER A 102 5.598 -12.074 -2.434 1.00 0.00 C ATOM 1082 OG SER A 102 7.007 -12.055 -2.585 1.00 0.00 O ATOM 0 H SER A 102 6.704 -10.920 -0.584 1.00 0.00 H new ATOM 0 HA SER A 102 5.249 -9.953 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.311 -12.864 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.126 -12.302 -3.390 1.00 0.00 H new ATOM 0 HG SER A 102 7.368 -12.946 -2.396 1.00 0.00 H new ATOM 1088 N ASP A 103 3.245 -11.167 -0.422 1.00 0.00 N ATOM 1089 CA ASP A 103 1.855 -11.235 0.009 1.00 0.00 C ATOM 1090 C ASP A 103 1.153 -9.883 -0.147 1.00 0.00 C ATOM 1091 O ASP A 103 0.092 -9.794 -0.775 1.00 0.00 O ATOM 1092 CB ASP A 103 1.785 -11.692 1.473 1.00 0.00 C ATOM 1093 CG ASP A 103 2.430 -13.053 1.693 1.00 0.00 C ATOM 1094 OD1 ASP A 103 3.671 -13.152 1.566 1.00 0.00 O ATOM 1095 OD2 ASP A 103 1.700 -14.023 1.997 1.00 0.00 O ATOM 0 H ASP A 103 3.916 -11.436 0.298 1.00 0.00 H new ATOM 0 HA ASP A 103 1.341 -11.957 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.279 -10.954 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.742 -11.733 1.787 1.00 0.00 H new ATOM 1100 N ARG A 104 1.763 -8.830 0.402 1.00 0.00 N ATOM 1101 CA ARG A 104 1.116 -7.518 0.492 1.00 0.00 C ATOM 1102 C ARG A 104 1.905 -6.424 -0.230 1.00 0.00 C ATOM 1103 O ARG A 104 3.123 -6.319 -0.091 1.00 0.00 O ATOM 1104 CB ARG A 104 0.942 -7.115 1.965 1.00 0.00 C ATOM 1105 CG ARG A 104 0.035 -8.042 2.765 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.129 -7.559 4.202 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.109 -8.356 4.946 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.899 -7.867 5.906 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.840 -6.580 6.234 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.751 -8.668 6.533 1.00 0.00 N ATOM 0 H ARG A 104 2.705 -8.860 0.791 1.00 0.00 H new ATOM 0 HA ARG A 104 0.146 -7.612 0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.923 -7.086 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.537 -6.104 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.942 -8.100 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.451 -9.050 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.834 -7.603 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.440 -6.514 4.199 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.193 -9.346 4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.189 -5.960 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.446 -6.212 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.802 -9.655 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.355 -8.296 7.266 1.00 0.00 H new ATOM 1124 N ALA A 105 1.189 -5.615 -1.001 1.00 0.00 N ATOM 1125 CA ALA A 105 1.728 -4.387 -1.571 1.00 0.00 C ATOM 1126 C ALA A 105 1.066 -3.198 -0.875 1.00 0.00 C ATOM 1127 O ALA A 105 -0.165 -3.148 -0.776 1.00 0.00 O ATOM 1128 CB ALA A 105 1.474 -4.343 -3.077 1.00 0.00 C ATOM 0 H ALA A 105 0.216 -5.793 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 105 2.806 -4.347 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.882 -3.420 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.957 -5.197 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.401 -4.381 -3.266 1.00 0.00 H new ATOM 1134 N ILE A 106 1.860 -2.260 -0.363 1.00 0.00 N ATOM 1135 CA ILE A 106 1.304 -1.123 0.375 1.00 0.00 C ATOM 1136 C ILE A 106 1.200 0.118 -0.514 1.00 0.00 C ATOM 1137 O ILE A 106 2.139 0.463 -1.235 1.00 0.00 O ATOM 1138 CB ILE A 106 2.132 -0.800 1.650 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.610 0.475 2.336 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.614 -0.674 1.321 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.389 0.869 3.574 1.00 0.00 C ATOM 0 H ILE A 106 2.877 -2.261 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 106 0.301 -1.412 0.689 1.00 0.00 H new ATOM 0 HB ILE A 106 2.013 -1.630 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.641 1.298 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.565 0.328 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.171 -0.448 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.974 -1.612 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.759 0.128 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.961 1.776 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.338 0.064 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.430 1.050 3.306 1.00 0.00 H new ATOM 1153 N PHE A 107 0.039 0.769 -0.463 1.00 0.00 N ATOM 1154 CA PHE A 107 -0.225 1.989 -1.227 1.00 0.00 C ATOM 1155 C PHE A 107 -0.656 3.104 -0.278 1.00 0.00 C ATOM 1156 O PHE A 107 -1.615 2.943 0.478 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.325 1.745 -2.277 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.917 0.813 -3.394 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.859 -0.560 -3.191 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.586 1.313 -4.647 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -0.481 -1.411 -4.211 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.208 0.464 -5.670 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.155 -0.898 -5.453 1.00 0.00 C ATOM 0 H PHE A 107 -0.748 0.465 0.111 1.00 0.00 H new ATOM 0 HA PHE A 107 0.689 2.282 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.203 1.335 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.621 2.702 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.113 -0.967 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.624 2.378 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.440 -2.476 -4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.046 0.866 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.141 -1.562 -6.252 1.00 0.00 H new ATOM 1173 N MET A 108 0.055 4.227 -0.307 1.00 0.00 N ATOM 1174 CA MET A 108 -0.248 5.351 0.573 1.00 0.00 C ATOM 1175 C MET A 108 -0.391 6.651 -0.213 1.00 0.00 C ATOM 1176 O MET A 108 0.282 6.864 -1.233 1.00 0.00 O ATOM 1177 CB MET A 108 0.830 5.502 1.659 1.00 0.00 C ATOM 1178 CG MET A 108 0.816 4.384 2.693 1.00 0.00 C ATOM 1179 SD MET A 108 2.034 4.622 4.000 1.00 0.00 S ATOM 1180 CE MET A 108 3.563 4.433 3.087 1.00 0.00 C ATOM 0 H MET A 108 0.846 4.383 -0.931 1.00 0.00 H new ATOM 0 HA MET A 108 -1.202 5.140 1.055 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.810 5.533 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 108 0.691 6.457 2.167 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.177 4.319 3.137 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.006 3.433 2.195 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.397 4.359 3.785 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.515 3.528 2.481 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.709 5.297 2.439 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.277 7.512 0.280 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.563 8.799 -0.339 1.00 0.00 C ATOM 1192 C LEU A 109 -1.573 9.901 0.708 1.00 0.00 C ATOM 1193 O LEU A 109 -2.102 9.720 1.810 1.00 0.00 O ATOM 1194 CB LEU A 109 -2.923 8.764 -1.055 1.00 0.00 C ATOM 1195 CG LEU A 109 -2.916 8.154 -2.461 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -4.341 7.932 -2.967 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -2.136 9.058 -3.415 1.00 0.00 C ATOM 0 H LEU A 109 -1.819 7.333 1.125 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.780 9.003 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.624 8.202 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.304 9.783 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.425 7.182 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.309 7.498 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.865 7.253 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.867 8.886 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.135 8.619 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.606 10.041 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.110 9.160 -3.062 1.00 0.00 H new ATOM 1209 N ARG A 110 -0.975 11.032 0.368 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.053 12.221 1.208 1.00 0.00 C ATOM 1211 C ARG A 110 -2.339 12.977 0.896 1.00 0.00 C ATOM 1212 O ARG A 110 -3.150 13.253 1.782 1.00 0.00 O ATOM 1213 CB ARG A 110 0.162 13.141 0.983 1.00 0.00 C ATOM 1214 CG ARG A 110 1.172 13.162 2.133 1.00 0.00 C ATOM 1215 CD ARG A 110 0.514 13.418 3.500 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.694 14.256 3.426 1.00 0.00 N ATOM 1217 CZ ARG A 110 -0.726 15.535 3.037 1.00 0.00 C ATOM 1218 NH1 ARG A 110 0.375 16.143 2.611 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -1.875 16.190 3.049 1.00 0.00 N ATOM 0 H ARG A 110 -0.429 11.154 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.051 11.908 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.674 12.827 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.195 14.157 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.702 12.210 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.916 13.935 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.255 12.461 3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.239 13.897 4.158 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.579 13.826 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.258 15.634 2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.337 17.119 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.727 15.719 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.909 17.166 2.754 1.00 0.00 H new ATOM 1233 N ASP A 111 -2.503 13.307 -0.378 1.00 0.00 N ATOM 1234 CA ASP A 111 -3.696 13.975 -0.880 1.00 0.00 C ATOM 1235 C ASP A 111 -4.225 13.187 -2.071 1.00 0.00 C ATOM 1236 O ASP A 111 -3.569 13.127 -3.111 1.00 0.00 O ATOM 1237 CB ASP A 111 -3.376 15.420 -1.313 1.00 0.00 C ATOM 1238 CG ASP A 111 -2.783 16.269 -0.193 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -3.558 16.844 0.604 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -1.538 16.379 -0.111 1.00 0.00 O ATOM 0 H ASP A 111 -1.806 13.117 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.444 14.018 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.677 15.395 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.289 15.894 -1.674 1.00 0.00 H new ATOM 1245 N GLY A 112 -5.384 12.553 -1.913 1.00 0.00 N ATOM 1246 CA GLY A 112 -5.919 11.729 -2.980 1.00 0.00 C ATOM 1247 C GLY A 112 -7.376 11.360 -2.780 1.00 0.00 C ATOM 1248 O GLY A 112 -7.691 10.392 -2.086 1.00 0.00 O ATOM 0 H GLY A 112 -5.958 12.595 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.812 12.258 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.328 10.817 -3.056 1.00 0.00 H new ATOM 1252 N SER A 113 -8.266 12.130 -3.397 1.00 0.00 N ATOM 1253 CA SER A 113 -9.693 11.831 -3.385 1.00 0.00 C ATOM 1254 C SER A 113 -9.974 10.596 -4.249 1.00 0.00 C ATOM 1255 O SER A 113 -10.971 9.896 -4.054 1.00 0.00 O ATOM 1256 CB SER A 113 -10.487 13.041 -3.900 1.00 0.00 C ATOM 1257 OG SER A 113 -11.886 12.814 -3.837 1.00 0.00 O ATOM 0 H SER A 113 -8.021 12.973 -3.916 1.00 0.00 H new ATOM 0 HA SER A 113 -10.007 11.620 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.234 13.921 -3.309 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.199 13.255 -4.929 1.00 0.00 H new ATOM 0 HG SER A 113 -12.361 13.604 -4.170 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.069 10.324 -5.194 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.200 9.169 -6.091 1.00 0.00 C ATOM 1265 C TYR A 114 -8.787 7.859 -5.403 1.00 0.00 C ATOM 1266 O TYR A 114 -8.600 6.833 -6.062 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.395 9.382 -7.394 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.891 9.616 -7.244 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.252 9.585 -6.005 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.109 9.869 -8.369 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -4.890 9.798 -5.896 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.746 10.081 -8.263 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.143 10.045 -7.027 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.787 10.252 -6.919 1.00 0.00 O ATOM 0 H TYR A 114 -8.236 10.889 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.255 9.083 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.541 8.509 -8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.821 10.236 -7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.831 9.391 -5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.576 9.900 -9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.413 9.771 -4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.157 10.274 -9.148 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.409 10.411 -7.809 1.00 0.00 H new ATOM 1284 N ALA A 115 -8.670 7.899 -4.073 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.298 6.727 -3.282 1.00 0.00 C ATOM 1286 C ALA A 115 -9.270 5.568 -3.505 1.00 0.00 C ATOM 1287 O ALA A 115 -8.867 4.406 -3.580 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.252 7.087 -1.803 1.00 0.00 C ATOM 0 H ALA A 115 -8.830 8.740 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.309 6.405 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.974 6.207 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.516 7.875 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.233 7.437 -1.483 1.00 0.00 H new ATOM 1294 N TRP A 116 -10.549 5.892 -3.621 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.584 4.873 -3.759 1.00 0.00 C ATOM 1296 C TRP A 116 -11.636 4.367 -5.197 1.00 0.00 C ATOM 1297 O TRP A 116 -12.062 3.243 -5.457 1.00 0.00 O ATOM 1298 CB TRP A 116 -12.941 5.442 -3.318 1.00 0.00 C ATOM 1299 CG TRP A 116 -12.852 6.200 -2.022 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -13.296 7.468 -1.777 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -12.243 5.746 -0.804 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -13.008 7.826 -0.482 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -12.363 6.786 0.133 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -11.609 4.561 -0.417 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -11.873 6.679 1.432 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -11.122 4.456 0.870 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -11.256 5.508 1.783 1.00 0.00 C ATOM 0 H TRP A 116 -10.897 6.851 -3.623 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.345 4.027 -3.115 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.325 6.102 -4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.656 4.626 -3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -13.800 8.097 -2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -13.237 8.721 -0.049 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.502 3.742 -1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -11.976 7.490 2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -10.629 3.546 1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -10.865 5.394 2.783 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.164 5.205 -6.114 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.107 4.863 -7.531 1.00 0.00 C ATOM 1320 C GLU A 117 -9.996 3.839 -7.775 1.00 0.00 C ATOM 1321 O GLU A 117 -10.211 2.808 -8.422 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.881 6.141 -8.350 1.00 0.00 C ATOM 1323 CG GLU A 117 -11.071 5.975 -9.853 1.00 0.00 C ATOM 1324 CD GLU A 117 -11.134 7.314 -10.573 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -12.233 7.904 -10.651 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -10.083 7.800 -11.042 1.00 0.00 O ATOM 0 H GLU A 117 -10.811 6.137 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.049 4.413 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.566 6.911 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.870 6.502 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.250 5.384 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.989 5.418 -10.043 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.809 4.114 -7.233 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.701 3.162 -7.316 1.00 0.00 C ATOM 1335 C ILE A 118 -8.058 1.885 -6.551 1.00 0.00 C ATOM 1336 O ILE A 118 -7.809 0.777 -7.026 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.361 3.758 -6.788 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.235 2.706 -6.831 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.519 4.315 -5.376 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -3.892 3.219 -6.344 1.00 0.00 C ATOM 0 H ILE A 118 -8.591 4.978 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.547 2.928 -8.369 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.087 4.582 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.528 1.850 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.126 2.347 -7.854 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.567 4.723 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.272 5.104 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.832 3.517 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.153 2.420 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.574 4.055 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.983 3.551 -5.310 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.683 2.050 -5.381 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.165 0.916 -4.595 1.00 0.00 C ATOM 1354 C LYS A 119 -10.138 0.082 -5.433 1.00 0.00 C ATOM 1355 O LYS A 119 -10.093 -1.152 -5.419 1.00 0.00 O ATOM 1356 CB LYS A 119 -9.835 1.421 -3.298 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.244 0.326 -2.299 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.584 -0.331 -2.648 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.734 0.671 -2.641 1.00 0.00 C ATOM 1360 NZ LYS A 119 -14.028 0.036 -3.000 1.00 0.00 N ATOM 0 H LYS A 119 -8.866 2.960 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.324 0.281 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.151 2.108 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.722 1.994 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.468 -0.439 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.306 0.758 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.514 -0.795 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.793 -1.127 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.814 1.124 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.518 1.476 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.782 0.752 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.961 -0.374 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.248 -0.715 -2.315 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.004 0.768 -6.178 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.961 0.103 -7.062 1.00 0.00 C ATOM 1376 C ASP A 120 -11.222 -0.718 -8.114 1.00 0.00 C ATOM 1377 O ASP A 120 -11.616 -1.841 -8.426 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.885 1.124 -7.740 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.882 0.469 -8.686 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.903 -0.073 -8.201 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.654 0.499 -9.916 1.00 0.00 O ATOM 0 H ASP A 120 -11.063 1.786 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.576 -0.564 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.426 1.683 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.282 1.843 -8.294 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.137 -0.157 -8.642 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.284 -0.866 -9.595 1.00 0.00 C ATOM 1388 C PHE A 121 -8.703 -2.130 -8.955 1.00 0.00 C ATOM 1389 O PHE A 121 -8.636 -3.186 -9.587 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.157 0.062 -10.083 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.064 -0.634 -10.863 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.322 -1.179 -12.113 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.779 -0.732 -10.347 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.320 -1.807 -12.830 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.777 -1.359 -11.061 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.046 -1.896 -12.302 1.00 0.00 C ATOM 0 H PHE A 121 -9.826 0.790 -8.426 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.886 -1.165 -10.453 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.591 0.842 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.711 0.556 -9.220 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.316 -1.112 -12.530 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.560 -0.313 -9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.533 -2.228 -13.802 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.782 -1.429 -10.647 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.262 -2.386 -12.861 1.00 0.00 H new ATOM 1406 N LEU A 122 -8.306 -2.016 -7.690 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.696 -3.131 -6.963 1.00 0.00 C ATOM 1408 C LEU A 122 -8.698 -4.273 -6.754 1.00 0.00 C ATOM 1409 O LEU A 122 -8.348 -5.449 -6.881 1.00 0.00 O ATOM 1410 CB LEU A 122 -7.151 -2.650 -5.607 1.00 0.00 C ATOM 1411 CG LEU A 122 -6.196 -1.443 -5.669 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.640 -1.114 -4.287 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -5.068 -1.685 -6.668 1.00 0.00 C ATOM 0 H LEU A 122 -8.396 -1.159 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.870 -3.511 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.994 -2.392 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.630 -3.480 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.769 -0.582 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.969 -0.258 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.462 -0.875 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.092 -1.974 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.410 -0.817 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.498 -2.565 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.489 -1.847 -7.660 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.946 -3.924 -6.435 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.988 -4.932 -6.203 1.00 0.00 C ATOM 1427 C VAL A 123 -11.576 -5.439 -7.527 1.00 0.00 C ATOM 1428 O VAL A 123 -12.121 -6.541 -7.594 1.00 0.00 O ATOM 1429 CB VAL A 123 -12.125 -4.392 -5.294 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.568 -3.924 -3.951 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.899 -3.270 -5.983 1.00 0.00 C ATOM 0 H VAL A 123 -10.260 -2.959 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.508 -5.765 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.821 -5.210 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -12.382 -3.550 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -11.082 -4.760 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.842 -3.128 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.688 -2.913 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.221 -2.449 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.341 -3.646 -6.905 1.00 0.00 H new ATOM 1441 N SER A 124 -11.451 -4.632 -8.577 1.00 0.00 N ATOM 1442 CA SER A 124 -11.899 -5.013 -9.918 1.00 0.00 C ATOM 1443 C SER A 124 -10.795 -5.771 -10.659 1.00 0.00 C ATOM 1444 O SER A 124 -10.949 -6.143 -11.825 1.00 0.00 O ATOM 1445 CB SER A 124 -12.331 -3.773 -10.712 1.00 0.00 C ATOM 1446 OG SER A 124 -13.433 -3.128 -10.087 1.00 0.00 O ATOM 0 H SER A 124 -11.039 -3.700 -8.526 1.00 0.00 H new ATOM 0 HA SER A 124 -12.760 -5.674 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.495 -3.078 -10.791 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.602 -4.063 -11.727 1.00 0.00 H new ATOM 0 HG SER A 124 -13.108 -2.551 -9.365 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.685 -5.994 -9.963 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.499 -6.593 -10.562 1.00 0.00 C ATOM 1454 C GLN A 125 -8.771 -8.047 -10.959 1.00 0.00 C ATOM 1455 O GLN A 125 -9.664 -8.688 -10.405 1.00 0.00 O ATOM 1456 CB GLN A 125 -7.320 -6.510 -9.583 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.978 -6.895 -10.191 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.692 -6.140 -11.475 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -5.998 -6.612 -12.566 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -5.127 -4.951 -11.352 1.00 0.00 N ATOM 0 H GLN A 125 -9.583 -5.766 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.244 -6.039 -11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.253 -5.493 -9.197 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.522 -7.161 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.185 -6.696 -9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.966 -7.966 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.887 -4.593 -10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.931 -4.391 -12.182 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.991 -8.549 -11.919 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.151 -9.908 -12.450 1.00 0.00 C ATOM 1471 C ASP A 126 -8.346 -10.939 -11.332 1.00 0.00 C ATOM 1472 O ASP A 126 -9.423 -11.526 -11.205 1.00 0.00 O ATOM 1473 CB ASP A 126 -6.943 -10.294 -13.314 1.00 0.00 C ATOM 1474 CG ASP A 126 -7.019 -11.732 -13.807 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -7.839 -12.018 -14.704 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -6.258 -12.582 -13.300 1.00 0.00 O ATOM 0 H ASP A 126 -7.230 -8.026 -12.352 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.050 -9.910 -13.067 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.882 -9.622 -14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -6.028 -10.158 -12.737 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.301 -11.161 -10.536 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.375 -12.090 -9.401 1.00 0.00 C ATOM 1483 C ARG A 127 -8.265 -11.543 -8.282 1.00 0.00 C ATOM 1484 O ARG A 127 -8.719 -12.300 -7.425 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.976 -12.374 -8.831 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.978 -12.940 -9.841 1.00 0.00 C ATOM 1487 CD ARG A 127 -3.674 -13.347 -9.161 1.00 0.00 C ATOM 1488 NE ARG A 127 -2.637 -13.730 -10.122 1.00 0.00 N ATOM 1489 CZ ARG A 127 -1.510 -14.368 -9.793 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -1.317 -14.797 -8.552 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -0.586 -14.604 -10.716 1.00 0.00 N ATOM 0 H ARG A 127 -6.392 -10.712 -10.653 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.811 -13.015 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.571 -11.449 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.072 -13.076 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.415 -13.804 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.773 -12.195 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.312 -12.519 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.865 -14.181 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 127 -2.784 -13.495 -11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -2.032 -14.641 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.454 -15.283 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.736 -14.298 -11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.274 -15.091 -10.464 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.516 -10.232 -8.318 1.00 0.00 N ATOM 1506 CA CYS A 128 -9.209 -9.521 -7.238 1.00 0.00 C ATOM 1507 C CYS A 128 -8.321 -9.472 -5.992 1.00 0.00 C ATOM 1508 O CYS A 128 -7.975 -10.508 -5.419 1.00 0.00 O ATOM 1509 CB CYS A 128 -10.569 -10.167 -6.918 1.00 0.00 C ATOM 1510 SG CYS A 128 -11.537 -9.282 -5.674 1.00 0.00 S ATOM 0 H CYS A 128 -8.245 -9.632 -9.097 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.406 -8.502 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -11.152 -10.233 -7.836 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.402 -11.187 -6.573 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.932 -8.143 -6.161 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.939 -8.263 -5.588 1.00 0.00 N ATOM 1517 CA ALA A 129 -7.013 -8.076 -4.476 1.00 0.00 C ATOM 1518 C ALA A 129 -7.753 -7.632 -3.220 1.00 0.00 C ATOM 1519 O ALA A 129 -8.721 -6.869 -3.294 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.941 -7.060 -4.852 1.00 0.00 C ATOM 0 H ALA A 129 -8.259 -7.395 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.533 -9.031 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.255 -6.928 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.389 -7.418 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.411 -6.106 -5.090 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.300 -8.118 -2.069 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.909 -7.771 -0.792 1.00 0.00 C ATOM 1528 C GLU A 130 -7.209 -6.553 -0.193 1.00 0.00 C ATOM 1529 O GLU A 130 -6.029 -6.613 0.169 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.834 -8.961 0.171 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.497 -10.227 -0.362 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.388 -11.390 0.608 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -9.193 -11.453 1.562 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.489 -12.240 0.431 1.00 0.00 O ATOM 0 H GLU A 130 -6.508 -8.757 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.958 -7.525 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.788 -9.174 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.306 -8.684 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.549 -10.025 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.036 -10.504 -1.310 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.940 -5.450 -0.108 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.410 -4.195 0.416 1.00 0.00 C ATOM 1543 C VAL A 131 -7.930 -3.948 1.830 1.00 0.00 C ATOM 1544 O VAL A 131 -9.107 -4.193 2.114 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.821 -3.001 -0.485 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -7.155 -1.705 -0.017 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.491 -3.288 -1.949 1.00 0.00 C ATOM 0 H VAL A 131 -8.916 -5.398 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.323 -4.275 0.431 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.900 -2.871 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.460 -0.884 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.458 -1.490 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.072 -1.817 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.788 -2.437 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.419 -3.455 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.030 -4.177 -2.276 1.00 0.00 H new ATOM 1557 N THR A 132 -7.057 -3.470 2.709 1.00 0.00 N ATOM 1558 CA THR A 132 -7.437 -3.093 4.063 1.00 0.00 C ATOM 1559 C THR A 132 -7.004 -1.654 4.326 1.00 0.00 C ATOM 1560 O THR A 132 -5.893 -1.261 3.952 1.00 0.00 O ATOM 1561 CB THR A 132 -6.793 -4.027 5.121 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.365 -4.030 4.974 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.319 -5.456 4.992 1.00 0.00 C ATOM 0 H THR A 132 -6.067 -3.333 2.503 1.00 0.00 H new ATOM 0 HA THR A 132 -8.520 -3.186 4.148 1.00 0.00 H new ATOM 0 HB THR A 132 -7.060 -3.647 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.959 -3.535 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.849 -6.086 5.747 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.399 -5.461 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.084 -5.842 4.000 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.874 -0.861 4.946 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.552 0.524 5.264 1.00 0.00 C ATOM 1573 C LEU A 133 -7.010 0.587 6.684 1.00 0.00 C ATOM 1574 O LEU A 133 -7.753 0.348 7.641 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.805 1.411 5.145 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.552 1.335 3.801 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.768 2.257 3.804 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.622 1.674 2.639 1.00 0.00 C ATOM 0 H LEU A 133 -8.806 -1.155 5.237 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.804 0.891 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.498 1.138 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.512 2.446 5.319 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.900 0.311 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.280 2.187 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -11.449 1.959 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.445 3.285 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.174 1.613 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.234 2.685 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.793 0.967 2.618 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.725 0.879 6.826 1.00 0.00 N ATOM 1591 CA GLU A 134 -5.105 0.908 8.142 1.00 0.00 C ATOM 1592 C GLU A 134 -5.671 2.058 8.967 1.00 0.00 C ATOM 1593 O GLU A 134 -5.733 3.199 8.504 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.585 1.002 8.019 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.971 -0.181 7.282 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.373 -1.523 7.881 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.987 -1.803 9.036 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -4.091 -2.301 7.208 1.00 0.00 O ATOM 0 H GLU A 134 -5.096 1.097 6.053 1.00 0.00 H new ATOM 0 HA GLU A 134 -5.336 -0.022 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.325 1.923 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.149 1.067 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.276 -0.149 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.885 -0.091 7.301 1.00 0.00 H new ATOM 1605 N GLY A 135 -6.090 1.741 10.187 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.817 2.695 11.007 1.00 0.00 C ATOM 1607 C GLY A 135 -8.316 2.485 10.898 1.00 0.00 C ATOM 1608 O GLY A 135 -9.102 3.271 11.436 1.00 0.00 O ATOM 0 H GLY A 135 -5.938 0.833 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.508 2.594 12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.566 3.710 10.697 1.00 0.00 H new ATOM 1612 N GLN A 136 -8.691 1.409 10.190 1.00 0.00 N ATOM 1613 CA GLN A 136 -10.088 1.011 9.984 1.00 0.00 C ATOM 1614 C GLN A 136 -10.793 1.921 8.976 1.00 0.00 C ATOM 1615 O GLN A 136 -10.336 3.031 8.690 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.861 0.951 11.313 1.00 0.00 C ATOM 1617 CG GLN A 136 -10.386 -0.161 12.240 1.00 0.00 C ATOM 1618 CD GLN A 136 -11.166 -0.217 13.541 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -10.788 0.401 14.538 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -12.269 -0.954 13.542 1.00 0.00 N ATOM 0 H GLN A 136 -8.022 0.784 9.739 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.075 0.005 9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.762 1.908 11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.921 0.810 11.102 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -10.476 -1.118 11.727 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -9.329 -0.016 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.551 -1.452 12.697 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.836 -1.023 14.387 1.00 0.00 H new ATOM 1629 N MET A 137 -11.898 1.429 8.419 1.00 0.00 N ATOM 1630 CA MET A 137 -12.638 2.162 7.396 1.00 0.00 C ATOM 1631 C MET A 137 -13.326 3.390 7.983 1.00 0.00 C ATOM 1632 O MET A 137 -14.369 3.283 8.633 1.00 0.00 O ATOM 1633 CB MET A 137 -13.676 1.259 6.706 1.00 0.00 C ATOM 1634 CG MET A 137 -13.068 0.129 5.882 1.00 0.00 C ATOM 1635 SD MET A 137 -14.294 -0.748 4.887 1.00 0.00 S ATOM 1636 CE MET A 137 -14.901 0.571 3.835 1.00 0.00 C ATOM 0 H MET A 137 -12.301 0.523 8.660 1.00 0.00 H new ATOM 0 HA MET A 137 -11.915 2.494 6.651 1.00 0.00 H new ATOM 0 HB2 MET A 137 -14.330 0.830 7.465 1.00 0.00 H new ATOM 0 HB3 MET A 137 -14.301 1.872 6.057 1.00 0.00 H new ATOM 0 HG2 MET A 137 -12.299 0.537 5.226 1.00 0.00 H new ATOM 0 HG3 MET A 137 -12.576 -0.578 6.550 1.00 0.00 H new ATOM 0 HE1 MET A 137 -15.364 0.143 2.946 1.00 0.00 H new ATOM 0 HE2 MET A 137 -15.638 1.161 4.380 1.00 0.00 H new ATOM 0 HE3 MET A 137 -14.070 1.212 3.539 1.00 0.00 H new ATOM 1646 N TYR A 138 -12.719 4.554 7.765 1.00 0.00 N ATOM 1647 CA TYR A 138 -13.327 5.827 8.139 1.00 0.00 C ATOM 1648 C TYR A 138 -14.488 6.223 7.196 1.00 0.00 C ATOM 1649 O TYR A 138 -15.396 6.940 7.630 1.00 0.00 O ATOM 1650 CB TYR A 138 -12.269 6.947 8.229 1.00 0.00 C ATOM 1651 CG TYR A 138 -11.458 7.180 6.963 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -10.363 6.377 6.655 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -11.780 8.210 6.083 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -9.620 6.590 5.508 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -11.042 8.428 4.934 1.00 0.00 C ATOM 1656 CZ TYR A 138 -9.964 7.616 4.653 1.00 0.00 C ATOM 1657 OH TYR A 138 -9.227 7.832 3.511 1.00 0.00 O ATOM 0 H TYR A 138 -11.801 4.641 7.329 1.00 0.00 H new ATOM 0 HA TYR A 138 -13.759 5.693 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -12.771 7.877 8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -11.582 6.711 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -10.089 5.574 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -12.622 8.850 6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -8.775 5.956 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.309 9.229 4.261 1.00 0.00 H new ATOM 0 HH TYR A 138 -9.696 7.447 2.741 1.00 0.00 H new ATOM 1667 N PRO A 139 -14.499 5.801 5.894 1.00 0.00 N ATOM 1668 CA PRO A 139 -15.676 6.001 5.031 1.00 0.00 C ATOM 1669 C PRO A 139 -16.870 5.177 5.519 1.00 0.00 C ATOM 1670 O PRO A 139 -16.806 3.946 5.574 1.00 0.00 O ATOM 1671 CB PRO A 139 -15.208 5.525 3.645 1.00 0.00 C ATOM 1672 CG PRO A 139 -14.083 4.595 3.930 1.00 0.00 C ATOM 1673 CD PRO A 139 -13.397 5.153 5.145 1.00 0.00 C ATOM 0 HA PRO A 139 -16.016 7.037 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -16.011 5.023 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -14.884 6.362 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.447 3.584 4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -13.398 4.538 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -12.919 4.369 5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -12.620 5.868 4.875 1.00 0.00 H new ATOM 1681 N GLY A 140 -17.951 5.863 5.885 1.00 0.00 N ATOM 1682 CA GLY A 140 -19.122 5.190 6.417 1.00 0.00 C ATOM 1683 C GLY A 140 -18.956 4.869 7.889 1.00 0.00 C ATOM 1684 O GLY A 140 -18.655 5.758 8.686 1.00 0.00 O ATOM 0 H GLY A 140 -18.035 6.878 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -20.000 5.820 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.299 4.270 5.860 1.00 0.00 H new ATOM 1688 N LYS A 141 -19.144 3.604 8.255 1.00 0.00 N ATOM 1689 CA LYS A 141 -18.964 3.157 9.640 1.00 0.00 C ATOM 1690 C LYS A 141 -18.329 1.768 9.672 1.00 0.00 C ATOM 1691 O LYS A 141 -18.635 0.916 8.832 1.00 0.00 O ATOM 1692 CB LYS A 141 -20.309 3.146 10.390 1.00 0.00 C ATOM 1693 CG LYS A 141 -20.919 4.533 10.595 1.00 0.00 C ATOM 1694 CD LYS A 141 -22.270 4.465 11.297 1.00 0.00 C ATOM 1695 CE LYS A 141 -22.865 5.853 11.506 1.00 0.00 C ATOM 1696 NZ LYS A 141 -24.224 5.787 12.103 1.00 0.00 N ATOM 0 H LYS A 141 -19.422 2.864 7.610 1.00 0.00 H new ATOM 0 HA LYS A 141 -18.298 3.859 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -21.016 2.528 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -20.167 2.676 11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -20.236 5.146 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -21.037 5.024 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -22.957 3.859 10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -22.155 3.969 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -22.211 6.435 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -22.913 6.376 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -24.595 6.750 12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -24.855 5.253 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -24.175 5.311 13.026 1.00 0.00 H new TER 1710 LYS A 141