USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 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 USER MOD Set 1.2: A 81 THR OG1 : rot 86:sc= 0.705 USER MOD Set 2.1: A 71 ASN : amide:sc= -2.41! K(o=-1.8!,f=1.7) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.589 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0846 (180deg=0) USER MOD Single : A 6 TYR OH : rot 55:sc= -0.974! USER MOD Single : A 7 ASN : amide:sc= -2.86! C(o=-2.9!,f=-12!) USER MOD Single : A 11 MET CE :methyl 137:sc= -2.52 (180deg=-5.11!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -109:sc= -3.36 (180deg=-6.18!) USER MOD Single : A 64 MET CE :methyl -116:sc= -0.32 (180deg=-0.408) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -140:sc= 1.32 USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= 0.135 (180deg=-3.57!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0926 K(o=0.093,f=-7.9!) USER MOD Single : A 87 SER OG : rot 81:sc= 0.718 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 92 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.092) USER MOD Single : A 93 TYR OH : rot -96:sc= 0.98 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 130:sc= -1.3 USER MOD Single : A 108 MET CE :methyl 177:sc= -2.69! (180deg=-2.7) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -96:sc= 0.791 USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= -0.0214 (180deg=-0.215) USER MOD Single : A 124 SER OG : rot -34:sc= 0.46 USER MOD Single : A 125 GLN : amide:sc= -3.25! K(o=-3.3!,f=-1.5) USER MOD Single : A 128 CYS SG : rot 180:sc= -0.0283 USER MOD Single : A 132 THR OG1 : rot -9:sc= 0.597 USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl 159:sc= -0.233 (180deg=-0.849) USER MOD Single : A 138 TYR OH : rot 59:sc= 0.0199 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.147 -17.612 4.608 1.00 0.00 N ATOM 2 CA GLY A 1 -0.990 -16.738 4.914 1.00 0.00 C ATOM 3 C GLY A 1 0.284 -17.532 5.126 1.00 0.00 C ATOM 4 O GLY A 1 0.279 -18.763 5.035 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.426 -17.483 3.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.883 -18.605 4.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.944 -17.362 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.844 -16.031 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.205 -16.153 5.808 1.00 0.00 H new ATOM 10 N ASP A 2 1.375 -16.826 5.417 1.00 0.00 N ATOM 11 CA ASP A 2 2.678 -17.458 5.643 1.00 0.00 C ATOM 12 C ASP A 2 3.658 -16.460 6.244 1.00 0.00 C ATOM 13 O ASP A 2 4.423 -16.786 7.154 1.00 0.00 O ATOM 14 CB ASP A 2 3.252 -18.017 4.329 1.00 0.00 C ATOM 15 CG ASP A 2 4.628 -18.651 4.512 1.00 0.00 C ATOM 16 OD1 ASP A 2 4.703 -19.790 5.025 1.00 0.00 O ATOM 17 OD2 ASP A 2 5.642 -18.020 4.139 1.00 0.00 O ATOM 0 H ASP A 2 1.384 -15.810 5.503 1.00 0.00 H new ATOM 0 HA ASP A 2 2.533 -18.282 6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.565 -18.760 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.321 -17.213 3.596 1.00 0.00 H new ATOM 22 N ILE A 3 3.620 -15.238 5.732 1.00 0.00 N ATOM 23 CA ILE A 3 4.557 -14.196 6.136 1.00 0.00 C ATOM 24 C ILE A 3 3.821 -13.101 6.934 1.00 0.00 C ATOM 25 O ILE A 3 4.154 -11.914 6.877 1.00 0.00 O ATOM 26 CB ILE A 3 5.264 -13.616 4.873 1.00 0.00 C ATOM 27 CG1 ILE A 3 6.455 -12.720 5.253 1.00 0.00 C ATOM 28 CG2 ILE A 3 4.270 -12.860 3.997 1.00 0.00 C ATOM 29 CD1 ILE A 3 7.216 -12.168 4.062 1.00 0.00 C ATOM 0 H ILE A 3 2.944 -14.941 5.029 1.00 0.00 H new ATOM 0 HA ILE A 3 5.321 -14.618 6.789 1.00 0.00 H new ATOM 0 HB ILE A 3 5.657 -14.455 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.093 -11.888 5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.142 -13.292 5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.785 -12.464 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.478 -13.538 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.836 -12.038 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.040 -11.547 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.610 -12.993 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.545 -11.567 3.448 1.00 0.00 H new ATOM 41 N ARG A 4 2.828 -13.528 7.720 1.00 0.00 N ATOM 42 CA ARG A 4 1.995 -12.606 8.499 1.00 0.00 C ATOM 43 C ARG A 4 2.829 -11.864 9.545 1.00 0.00 C ATOM 44 O ARG A 4 2.458 -10.775 10.000 1.00 0.00 O ATOM 45 CB ARG A 4 0.849 -13.362 9.190 1.00 0.00 C ATOM 46 CG ARG A 4 -0.170 -12.449 9.875 1.00 0.00 C ATOM 47 CD ARG A 4 -1.183 -13.238 10.699 1.00 0.00 C ATOM 48 NE ARG A 4 -2.203 -12.371 11.296 1.00 0.00 N ATOM 49 CZ ARG A 4 -2.111 -11.817 12.510 1.00 0.00 C ATOM 50 NH1 ARG A 4 -1.043 -12.024 13.268 1.00 0.00 N ATOM 51 NH2 ARG A 4 -3.100 -11.060 12.965 1.00 0.00 N ATOM 0 H ARG A 4 2.581 -14.511 7.834 1.00 0.00 H new ATOM 0 HA ARG A 4 1.573 -11.876 7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.334 -13.976 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.270 -14.042 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.352 -11.744 10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.695 -11.862 9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.666 -13.981 10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.663 -13.782 11.488 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.041 -12.177 10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.281 -12.610 12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.983 -11.597 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.927 -10.902 12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.033 -10.636 13.890 1.00 0.00 H new ATOM 65 N ASP A 5 3.949 -12.462 9.936 1.00 0.00 N ATOM 66 CA ASP A 5 4.855 -11.832 10.891 1.00 0.00 C ATOM 67 C ASP A 5 5.404 -10.528 10.321 1.00 0.00 C ATOM 68 O ASP A 5 5.470 -9.521 11.028 1.00 0.00 O ATOM 69 CB ASP A 5 5.991 -12.786 11.287 1.00 0.00 C ATOM 70 CG ASP A 5 5.531 -13.872 12.250 1.00 0.00 C ATOM 71 OD1 ASP A 5 4.972 -14.889 11.790 1.00 0.00 O ATOM 72 OD2 ASP A 5 5.710 -13.703 13.478 1.00 0.00 O ATOM 0 H ASP A 5 4.251 -13.379 9.608 1.00 0.00 H new ATOM 0 HA ASP A 5 4.293 -11.599 11.795 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.401 -13.250 10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.797 -12.215 11.747 1.00 0.00 H new ATOM 77 N TYR A 6 5.777 -10.542 9.035 1.00 0.00 N ATOM 78 CA TYR A 6 6.182 -9.314 8.347 1.00 0.00 C ATOM 79 C TYR A 6 5.041 -8.306 8.417 1.00 0.00 C ATOM 80 O TYR A 6 5.248 -7.135 8.731 1.00 0.00 O ATOM 81 CB TYR A 6 6.567 -9.584 6.869 1.00 0.00 C ATOM 82 CG TYR A 6 5.766 -8.766 5.855 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.097 -7.442 5.570 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.654 -9.311 5.217 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.345 -6.695 4.681 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.897 -8.566 4.334 1.00 0.00 C ATOM 87 CZ TYR A 6 4.246 -7.260 4.070 1.00 0.00 C ATOM 88 OH TYR A 6 3.487 -6.516 3.196 1.00 0.00 O ATOM 0 H TYR A 6 5.806 -11.382 8.457 1.00 0.00 H new ATOM 0 HA TYR A 6 7.066 -8.915 8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.627 -9.369 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.427 -10.644 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.954 -6.993 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.378 -10.336 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.618 -5.672 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.036 -9.005 3.853 1.00 0.00 H new ATOM 0 HH TYR A 6 4.064 -6.145 2.496 1.00 0.00 H new ATOM 98 N ASN A 7 3.838 -8.790 8.107 1.00 0.00 N ATOM 99 CA ASN A 7 2.640 -7.958 8.108 1.00 0.00 C ATOM 100 C ASN A 7 2.570 -7.134 9.386 1.00 0.00 C ATOM 101 O ASN A 7 2.798 -5.925 9.363 1.00 0.00 O ATOM 102 CB ASN A 7 1.378 -8.823 7.944 1.00 0.00 C ATOM 103 CG ASN A 7 1.142 -9.253 6.503 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.405 -8.603 5.774 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.775 -10.340 6.079 1.00 0.00 N ATOM 0 H ASN A 7 3.670 -9.763 7.850 1.00 0.00 H new ATOM 0 HA ASN A 7 2.692 -7.274 7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.466 -9.709 8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.512 -8.265 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.654 -10.658 5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.382 -10.857 6.715 1.00 0.00 H new ATOM 112 N ASP A 8 2.310 -7.792 10.507 1.00 0.00 N ATOM 113 CA ASP A 8 2.197 -7.087 11.780 1.00 0.00 C ATOM 114 C ASP A 8 3.473 -6.308 12.089 1.00 0.00 C ATOM 115 O ASP A 8 3.455 -5.071 12.146 1.00 0.00 O ATOM 116 CB ASP A 8 1.873 -8.061 12.919 1.00 0.00 C ATOM 117 CG ASP A 8 0.442 -8.565 12.850 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.195 -9.568 12.146 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.442 -7.948 13.482 1.00 0.00 O ATOM 0 H ASP A 8 2.174 -8.801 10.564 1.00 0.00 H new ATOM 0 HA ASP A 8 1.376 -6.376 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.558 -8.908 12.877 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.037 -7.566 13.876 1.00 0.00 H new ATOM 124 N ALA A 9 4.582 -7.031 12.227 1.00 0.00 N ATOM 125 CA ALA A 9 5.846 -6.435 12.643 1.00 0.00 C ATOM 126 C ALA A 9 6.270 -5.308 11.701 1.00 0.00 C ATOM 127 O ALA A 9 6.237 -4.138 12.074 1.00 0.00 O ATOM 128 CB ALA A 9 6.938 -7.499 12.733 1.00 0.00 C ATOM 0 H ALA A 9 4.629 -8.035 12.055 1.00 0.00 H new ATOM 0 HA ALA A 9 5.699 -6.002 13.633 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.874 -7.035 13.045 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.649 -8.257 13.461 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.072 -7.966 11.757 1.00 0.00 H new ATOM 134 N ASP A 10 6.634 -5.662 10.476 1.00 0.00 N ATOM 135 CA ASP A 10 7.196 -4.692 9.538 1.00 0.00 C ATOM 136 C ASP A 10 6.217 -3.563 9.225 1.00 0.00 C ATOM 137 O ASP A 10 6.596 -2.395 9.317 1.00 0.00 O ATOM 138 CB ASP A 10 7.668 -5.374 8.245 1.00 0.00 C ATOM 139 CG ASP A 10 8.961 -6.154 8.440 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.900 -7.332 8.856 1.00 0.00 O ATOM 141 OD2 ASP A 10 10.050 -5.590 8.186 1.00 0.00 O ATOM 0 H ASP A 10 6.552 -6.609 10.107 1.00 0.00 H new ATOM 0 HA ASP A 10 8.063 -4.248 10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.890 -6.049 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.815 -4.620 7.472 1.00 0.00 H new ATOM 146 N MET A 11 4.958 -3.888 8.890 1.00 0.00 N ATOM 147 CA MET A 11 4.006 -2.841 8.495 1.00 0.00 C ATOM 148 C MET A 11 3.828 -1.833 9.628 1.00 0.00 C ATOM 149 O MET A 11 3.886 -0.624 9.402 1.00 0.00 O ATOM 150 CB MET A 11 2.640 -3.420 8.094 1.00 0.00 C ATOM 151 CG MET A 11 2.646 -4.296 6.837 1.00 0.00 C ATOM 152 SD MET A 11 2.547 -3.356 5.294 1.00 0.00 S ATOM 153 CE MET A 11 4.216 -2.732 5.123 1.00 0.00 C ATOM 0 H MET A 11 4.585 -4.837 8.884 1.00 0.00 H new ATOM 0 HA MET A 11 4.423 -2.341 7.621 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.255 -4.009 8.926 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.945 -2.595 7.939 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.555 -4.897 6.828 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.806 -4.989 6.884 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.539 -2.836 4.087 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.242 -1.680 5.407 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.885 -3.299 5.770 1.00 0.00 H new ATOM 163 N ALA A 12 3.641 -2.331 10.851 1.00 0.00 N ATOM 164 CA ALA A 12 3.440 -1.453 12.002 1.00 0.00 C ATOM 165 C ALA A 12 4.699 -0.641 12.306 1.00 0.00 C ATOM 166 O ALA A 12 4.635 0.572 12.531 1.00 0.00 O ATOM 167 CB ALA A 12 3.026 -2.263 13.227 1.00 0.00 C ATOM 0 H ALA A 12 3.625 -3.327 11.068 1.00 0.00 H new ATOM 0 HA ALA A 12 2.640 -0.756 11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.881 -1.593 14.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.095 -2.790 13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.806 -2.986 13.466 1.00 0.00 H new ATOM 173 N ARG A 13 5.844 -1.317 12.292 1.00 0.00 N ATOM 174 CA ARG A 13 7.112 -0.704 12.682 1.00 0.00 C ATOM 175 C ARG A 13 7.579 0.354 11.676 1.00 0.00 C ATOM 176 O ARG A 13 8.303 1.278 12.050 1.00 0.00 O ATOM 177 CB ARG A 13 8.187 -1.781 12.890 1.00 0.00 C ATOM 178 CG ARG A 13 7.867 -2.731 14.044 1.00 0.00 C ATOM 179 CD ARG A 13 8.902 -3.841 14.191 1.00 0.00 C ATOM 180 NE ARG A 13 8.443 -4.888 15.108 1.00 0.00 N ATOM 181 CZ ARG A 13 9.244 -5.777 15.704 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.561 -5.718 15.542 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.721 -6.721 16.476 1.00 0.00 N ATOM 0 H ARG A 13 5.921 -2.295 12.013 1.00 0.00 H new ATOM 0 HA ARG A 13 6.948 -0.187 13.628 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.297 -2.358 11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.145 -1.298 13.080 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.813 -2.164 14.973 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.884 -3.174 13.884 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.110 -4.277 13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.838 -3.420 14.558 1.00 0.00 H new ATOM 0 HE ARG A 13 7.444 -4.942 15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.971 -4.989 14.958 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.163 -6.402 16.002 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.711 -6.766 16.613 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.329 -7.401 16.933 1.00 0.00 H new ATOM 197 N LEU A 14 7.179 0.236 10.407 1.00 0.00 N ATOM 198 CA LEU A 14 7.505 1.275 9.425 1.00 0.00 C ATOM 199 C LEU A 14 6.415 2.346 9.402 1.00 0.00 C ATOM 200 O LEU A 14 6.686 3.516 9.126 1.00 0.00 O ATOM 201 CB LEU A 14 7.769 0.683 8.021 1.00 0.00 C ATOM 202 CG LEU A 14 6.620 -0.100 7.345 1.00 0.00 C ATOM 203 CD1 LEU A 14 5.571 0.833 6.740 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.181 -1.040 6.275 1.00 0.00 C ATOM 0 H LEU A 14 6.641 -0.549 10.041 1.00 0.00 H new ATOM 0 HA LEU A 14 8.436 1.751 9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.052 1.502 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.631 0.019 8.093 1.00 0.00 H new ATOM 0 HG LEU A 14 6.124 -0.689 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.782 0.241 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.143 1.456 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.039 1.468 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.363 -1.586 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.709 -0.458 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.871 -1.746 6.737 1.00 0.00 H new ATOM 216 N LEU A 15 5.181 1.944 9.714 1.00 0.00 N ATOM 217 CA LEU A 15 4.071 2.890 9.823 1.00 0.00 C ATOM 218 C LEU A 15 4.353 3.858 10.971 1.00 0.00 C ATOM 219 O LEU A 15 3.962 5.025 10.930 1.00 0.00 O ATOM 220 CB LEU A 15 2.740 2.147 10.057 1.00 0.00 C ATOM 221 CG LEU A 15 1.549 2.618 9.203 1.00 0.00 C ATOM 222 CD1 LEU A 15 1.247 4.095 9.442 1.00 0.00 C ATOM 223 CD2 LEU A 15 1.819 2.353 7.724 1.00 0.00 C ATOM 0 H LEU A 15 4.927 0.973 9.895 1.00 0.00 H new ATOM 0 HA LEU A 15 3.980 3.447 8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.901 1.086 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.470 2.247 11.108 1.00 0.00 H new ATOM 0 HG LEU A 15 0.670 2.048 9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.401 4.398 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.004 4.251 10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.120 4.692 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.968 2.691 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.714 2.894 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.968 1.285 7.567 1.00 0.00 H new ATOM 235 N GLU A 16 5.068 3.347 11.977 1.00 0.00 N ATOM 236 CA GLU A 16 5.488 4.132 13.135 1.00 0.00 C ATOM 237 C GLU A 16 6.114 5.458 12.698 1.00 0.00 C ATOM 238 O GLU A 16 5.844 6.511 13.280 1.00 0.00 O ATOM 239 CB GLU A 16 6.507 3.325 13.957 1.00 0.00 C ATOM 240 CG GLU A 16 7.014 4.033 15.211 1.00 0.00 C ATOM 241 CD GLU A 16 6.008 4.031 16.354 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.825 4.340 16.119 1.00 0.00 O ATOM 243 OE2 GLU A 16 6.399 3.737 17.501 1.00 0.00 O ATOM 0 H GLU A 16 5.372 2.374 12.009 1.00 0.00 H new ATOM 0 HA GLU A 16 4.611 4.351 13.744 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.051 2.379 14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.359 3.085 13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.933 3.552 15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.267 5.063 14.961 1.00 0.00 H new ATOM 250 N GLN A 17 6.939 5.391 11.654 1.00 0.00 N ATOM 251 CA GLN A 17 7.609 6.572 11.121 1.00 0.00 C ATOM 252 C GLN A 17 6.585 7.579 10.611 1.00 0.00 C ATOM 253 O GLN A 17 6.590 8.741 11.007 1.00 0.00 O ATOM 254 CB GLN A 17 8.562 6.174 9.986 1.00 0.00 C ATOM 255 CG GLN A 17 9.305 7.350 9.361 1.00 0.00 C ATOM 256 CD GLN A 17 10.181 6.933 8.193 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.349 6.592 8.368 1.00 0.00 O ATOM 258 NE2 GLN A 17 9.622 6.958 6.993 1.00 0.00 N ATOM 0 H GLN A 17 7.159 4.526 11.160 1.00 0.00 H new ATOM 0 HA GLN A 17 8.186 7.034 11.922 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.290 5.460 10.370 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.993 5.663 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.583 8.092 9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.922 7.830 10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.649 7.247 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.164 6.688 6.172 1.00 0.00 H new ATOM 267 N TRP A 18 5.689 7.108 9.753 1.00 0.00 N ATOM 268 CA TRP A 18 4.695 7.964 9.112 1.00 0.00 C ATOM 269 C TRP A 18 3.762 8.598 10.139 1.00 0.00 C ATOM 270 O TRP A 18 3.384 9.771 10.016 1.00 0.00 O ATOM 271 CB TRP A 18 3.899 7.151 8.087 1.00 0.00 C ATOM 272 CG TRP A 18 4.709 6.779 6.885 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.723 5.864 6.822 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.575 7.324 5.570 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.234 5.818 5.549 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.543 6.701 4.763 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.730 8.278 4.996 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.687 7.005 3.417 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.874 8.576 3.656 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.846 7.942 2.881 1.00 0.00 C ATOM 0 H TRP A 18 5.629 6.127 9.482 1.00 0.00 H new ATOM 0 HA TRP A 18 5.215 8.774 8.601 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.524 6.244 8.562 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.030 7.727 7.769 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.071 5.266 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.003 5.223 5.239 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.977 8.774 5.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.438 6.518 2.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.225 9.310 3.201 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.936 8.196 1.835 1.00 0.00 H new ATOM 291 N GLU A 19 3.390 7.820 11.146 1.00 0.00 N ATOM 292 CA GLU A 19 2.556 8.318 12.229 1.00 0.00 C ATOM 293 C GLU A 19 3.291 9.427 12.974 1.00 0.00 C ATOM 294 O GLU A 19 2.747 10.513 13.191 1.00 0.00 O ATOM 295 CB GLU A 19 2.181 7.177 13.188 1.00 0.00 C ATOM 296 CG GLU A 19 1.395 6.057 12.514 1.00 0.00 C ATOM 297 CD GLU A 19 1.008 4.939 13.468 1.00 0.00 C ATOM 298 OE1 GLU A 19 1.798 3.989 13.635 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.100 4.996 14.047 1.00 0.00 O ATOM 0 H GLU A 19 3.654 6.839 11.235 1.00 0.00 H new ATOM 0 HA GLU A 19 1.635 8.724 11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.091 6.763 13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.591 7.582 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.492 6.473 12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.991 5.642 11.701 1.00 0.00 H new ATOM 306 N LYS A 20 4.550 9.157 13.317 1.00 0.00 N ATOM 307 CA LYS A 20 5.367 10.108 14.057 1.00 0.00 C ATOM 308 C LYS A 20 5.568 11.396 13.259 1.00 0.00 C ATOM 309 O LYS A 20 5.379 12.486 13.786 1.00 0.00 O ATOM 310 CB LYS A 20 6.725 9.488 14.425 1.00 0.00 C ATOM 311 CG LYS A 20 7.595 10.398 15.289 1.00 0.00 C ATOM 312 CD LYS A 20 8.838 9.686 15.813 1.00 0.00 C ATOM 313 CE LYS A 20 9.641 10.583 16.747 1.00 0.00 C ATOM 314 NZ LYS A 20 10.762 9.854 17.394 1.00 0.00 N ATOM 0 H LYS A 20 5.025 8.283 13.091 1.00 0.00 H new ATOM 0 HA LYS A 20 4.839 10.357 14.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.556 8.550 14.954 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.265 9.245 13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.896 11.268 14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.008 10.766 16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.544 8.779 16.341 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.463 9.378 14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.036 11.430 16.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.982 10.989 17.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.281 10.501 18.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.385 9.061 17.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.406 9.488 16.664 1.00 0.00 H new ATOM 328 N ASP A 21 5.937 11.256 11.987 1.00 0.00 N ATOM 329 CA ASP A 21 6.166 12.405 11.108 1.00 0.00 C ATOM 330 C ASP A 21 4.923 13.280 11.013 1.00 0.00 C ATOM 331 O ASP A 21 5.009 14.507 11.102 1.00 0.00 O ATOM 332 CB ASP A 21 6.606 11.942 9.708 1.00 0.00 C ATOM 333 CG ASP A 21 8.119 11.797 9.593 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.672 10.805 10.112 1.00 0.00 O ATOM 335 OD2 ASP A 21 8.763 12.697 9.004 1.00 0.00 O ATOM 0 H ASP A 21 6.085 10.352 11.538 1.00 0.00 H new ATOM 0 HA ASP A 21 6.968 13.002 11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.134 10.987 9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.255 12.658 8.965 1.00 0.00 H new ATOM 340 N ASP A 22 3.768 12.644 10.840 1.00 0.00 N ATOM 341 CA ASP A 22 2.491 13.359 10.806 1.00 0.00 C ATOM 342 C ASP A 22 2.297 14.151 12.106 1.00 0.00 C ATOM 343 O ASP A 22 1.937 15.336 12.085 1.00 0.00 O ATOM 344 CB ASP A 22 1.340 12.362 10.580 1.00 0.00 C ATOM 345 CG ASP A 22 -0.043 13.003 10.635 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.645 13.046 11.730 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.552 13.419 9.577 1.00 0.00 O ATOM 0 H ASP A 22 3.688 11.634 10.721 1.00 0.00 H new ATOM 0 HA ASP A 22 2.493 14.068 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.471 11.883 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.397 11.577 11.334 1.00 0.00 H new ATOM 352 N ASP A 23 2.585 13.499 13.234 1.00 0.00 N ATOM 353 CA ASP A 23 2.506 14.148 14.548 1.00 0.00 C ATOM 354 C ASP A 23 3.493 15.313 14.643 1.00 0.00 C ATOM 355 O ASP A 23 3.168 16.374 15.185 1.00 0.00 O ATOM 356 CB ASP A 23 2.797 13.151 15.679 1.00 0.00 C ATOM 357 CG ASP A 23 1.750 12.056 15.815 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.543 12.366 15.770 1.00 0.00 O ATOM 359 OD2 ASP A 23 2.131 10.880 16.003 1.00 0.00 O ATOM 0 H ASP A 23 2.875 12.522 13.266 1.00 0.00 H new ATOM 0 HA ASP A 23 1.489 14.526 14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.770 12.691 15.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.866 13.694 16.621 1.00 0.00 H new ATOM 364 N ILE A 24 4.701 15.104 14.119 1.00 0.00 N ATOM 365 CA ILE A 24 5.741 16.130 14.127 1.00 0.00 C ATOM 366 C ILE A 24 5.269 17.356 13.357 1.00 0.00 C ATOM 367 O ILE A 24 5.491 18.497 13.773 1.00 0.00 O ATOM 368 CB ILE A 24 7.064 15.614 13.498 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.641 14.448 14.316 1.00 0.00 C ATOM 370 CG2 ILE A 24 8.085 16.745 13.383 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.862 13.805 13.687 1.00 0.00 C ATOM 0 H ILE A 24 4.983 14.227 13.681 1.00 0.00 H new ATOM 0 HA ILE A 24 5.934 16.391 15.168 1.00 0.00 H new ATOM 0 HB ILE A 24 6.841 15.249 12.495 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.903 14.809 15.310 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.869 13.690 14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.004 16.362 12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.681 17.537 12.752 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.299 17.144 14.374 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.212 12.991 14.322 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.601 13.413 12.704 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.652 14.549 13.583 1.00 0.00 H new ATOM 383 N GLU A 25 4.604 17.106 12.238 1.00 0.00 N ATOM 384 CA GLU A 25 4.071 18.167 11.399 1.00 0.00 C ATOM 385 C GLU A 25 2.946 18.909 12.113 1.00 0.00 C ATOM 386 O GLU A 25 2.754 20.105 11.903 1.00 0.00 O ATOM 387 CB GLU A 25 3.585 17.589 10.071 1.00 0.00 C ATOM 388 CG GLU A 25 4.715 17.109 9.173 1.00 0.00 C ATOM 389 CD GLU A 25 5.615 18.247 8.716 1.00 0.00 C ATOM 390 OE1 GLU A 25 5.225 18.982 7.784 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.707 18.434 9.297 1.00 0.00 O ATOM 0 H GLU A 25 4.420 16.166 11.888 1.00 0.00 H new ATOM 0 HA GLU A 25 4.866 18.884 11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.910 16.756 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.008 18.347 9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.311 16.370 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.295 16.609 8.300 1.00 0.00 H new ATOM 398 N GLU A 26 2.204 18.194 12.959 1.00 0.00 N ATOM 399 CA GLU A 26 1.205 18.837 13.824 1.00 0.00 C ATOM 400 C GLU A 26 1.894 19.804 14.804 1.00 0.00 C ATOM 401 O GLU A 26 1.241 20.597 15.489 1.00 0.00 O ATOM 402 CB GLU A 26 0.371 17.788 14.578 1.00 0.00 C ATOM 403 CG GLU A 26 -0.844 18.369 15.304 1.00 0.00 C ATOM 404 CD GLU A 26 -1.830 19.057 14.363 1.00 0.00 C ATOM 405 OE1 GLU A 26 -1.679 20.274 14.103 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.765 18.389 13.875 1.00 0.00 O ATOM 0 H GLU A 26 2.271 17.182 13.066 1.00 0.00 H new ATOM 0 HA GLU A 26 0.523 19.410 13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.032 17.031 13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.009 17.284 15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.358 17.569 15.838 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.505 19.085 16.052 1.00 0.00 H new ATOM 413 N GLY A 27 3.220 19.726 14.856 1.00 0.00 N ATOM 414 CA GLY A 27 4.019 20.715 15.564 1.00 0.00 C ATOM 415 C GLY A 27 4.327 20.344 17.003 1.00 0.00 C ATOM 416 O GLY A 27 4.431 21.222 17.864 1.00 0.00 O ATOM 0 H GLY A 27 3.764 18.985 14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.957 20.860 15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.493 21.670 15.550 1.00 0.00 H new ATOM 420 N ASP A 28 4.480 19.050 17.264 1.00 0.00 N ATOM 421 CA ASP A 28 4.963 18.576 18.560 1.00 0.00 C ATOM 422 C ASP A 28 5.513 17.161 18.417 1.00 0.00 C ATOM 423 O ASP A 28 5.039 16.384 17.587 1.00 0.00 O ATOM 424 CB ASP A 28 3.866 18.630 19.638 1.00 0.00 C ATOM 425 CG ASP A 28 2.775 17.586 19.454 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.860 17.812 18.634 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.814 16.547 20.148 1.00 0.00 O ATOM 0 H ASP A 28 4.276 18.308 16.595 1.00 0.00 H new ATOM 0 HA ASP A 28 5.762 19.242 18.887 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.325 18.494 20.617 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.413 19.621 19.633 1.00 0.00 H new ATOM 432 N LEU A 29 6.532 16.845 19.210 1.00 0.00 N ATOM 433 CA LEU A 29 7.222 15.562 19.115 1.00 0.00 C ATOM 434 C LEU A 29 6.519 14.496 19.962 1.00 0.00 C ATOM 435 O LEU A 29 6.447 14.616 21.189 1.00 0.00 O ATOM 436 CB LEU A 29 8.693 15.706 19.560 1.00 0.00 C ATOM 437 CG LEU A 29 9.585 16.600 18.669 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.557 16.123 17.217 1.00 0.00 C ATOM 439 CD2 LEU A 29 9.174 18.069 18.769 1.00 0.00 C ATOM 0 H LEU A 29 6.901 17.465 19.931 1.00 0.00 H new ATOM 0 HA LEU A 29 7.197 15.244 18.073 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.708 16.107 20.573 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.138 14.712 19.604 1.00 0.00 H new ATOM 0 HG LEU A 29 10.609 16.517 19.034 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.192 16.768 16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.924 15.098 17.164 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.535 16.162 16.841 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.820 18.672 18.131 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.139 18.180 18.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.269 18.404 19.802 1.00 0.00 H new ATOM 451 N LEU A 62 -4.799 8.680 4.313 1.00 0.00 N ATOM 452 CA LEU A 62 -4.988 7.261 4.008 1.00 0.00 C ATOM 453 C LEU A 62 -3.683 6.555 3.630 1.00 0.00 C ATOM 454 O LEU A 62 -2.824 7.113 2.948 1.00 0.00 O ATOM 455 CB LEU A 62 -6.016 7.118 2.868 1.00 0.00 C ATOM 456 CG LEU A 62 -6.411 5.678 2.494 1.00 0.00 C ATOM 457 CD1 LEU A 62 -6.997 4.944 3.695 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.407 5.681 1.335 1.00 0.00 C ATOM 0 HA LEU A 62 -5.354 6.777 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.919 7.660 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.615 7.606 1.980 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.510 5.151 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.268 3.929 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.258 4.907 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.885 5.470 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.676 4.655 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.303 6.230 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.954 6.161 0.467 1.00 0.00 H new ATOM 470 N MET A 63 -3.546 5.323 4.104 1.00 0.00 N ATOM 471 CA MET A 63 -2.529 4.394 3.623 1.00 0.00 C ATOM 472 C MET A 63 -3.195 3.040 3.417 1.00 0.00 C ATOM 473 O MET A 63 -3.986 2.606 4.255 1.00 0.00 O ATOM 474 CB MET A 63 -1.347 4.283 4.604 1.00 0.00 C ATOM 475 CG MET A 63 -0.593 5.594 4.811 1.00 0.00 C ATOM 476 SD MET A 63 0.887 5.410 5.829 1.00 0.00 S ATOM 477 CE MET A 63 1.850 4.273 4.838 1.00 0.00 C ATOM 0 H MET A 63 -4.141 4.937 4.837 1.00 0.00 H new ATOM 0 HA MET A 63 -2.115 4.760 2.684 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.718 3.932 5.567 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.651 3.529 4.236 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.310 6.000 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.259 6.319 5.278 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.879 3.299 5.327 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.393 4.172 3.854 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.865 4.655 4.729 1.00 0.00 H new ATOM 487 N MET A 64 -2.913 2.388 2.297 1.00 0.00 N ATOM 488 CA MET A 64 -3.638 1.176 1.917 1.00 0.00 C ATOM 489 C MET A 64 -2.716 -0.037 1.887 1.00 0.00 C ATOM 490 O MET A 64 -1.740 -0.069 1.139 1.00 0.00 O ATOM 491 CB MET A 64 -4.301 1.365 0.542 1.00 0.00 C ATOM 492 CG MET A 64 -5.263 2.547 0.483 1.00 0.00 C ATOM 493 SD MET A 64 -6.025 2.759 -1.140 1.00 0.00 S ATOM 494 CE MET A 64 -7.024 1.278 -1.260 1.00 0.00 C ATOM 0 H MET A 64 -2.191 2.674 1.636 1.00 0.00 H new ATOM 0 HA MET A 64 -4.407 0.997 2.668 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.524 1.502 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.841 0.455 0.281 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.045 2.409 1.230 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.726 3.458 0.748 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.662 0.661 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.957 0.717 -0.328 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.063 1.554 -1.443 1.00 0.00 H new ATOM 504 N PHE A 65 -3.029 -1.024 2.718 1.00 0.00 N ATOM 505 CA PHE A 65 -2.338 -2.309 2.700 1.00 0.00 C ATOM 506 C PHE A 65 -3.146 -3.272 1.835 1.00 0.00 C ATOM 507 O PHE A 65 -4.326 -3.498 2.105 1.00 0.00 O ATOM 508 CB PHE A 65 -2.214 -2.877 4.121 1.00 0.00 C ATOM 509 CG PHE A 65 -1.640 -1.913 5.128 1.00 0.00 C ATOM 510 CD1 PHE A 65 -0.269 -1.748 5.251 1.00 0.00 C ATOM 511 CD2 PHE A 65 -2.476 -1.180 5.959 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.256 -0.869 6.181 1.00 0.00 C ATOM 513 CE2 PHE A 65 -1.954 -0.302 6.888 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.588 -0.146 6.999 1.00 0.00 C ATOM 0 H PHE A 65 -3.765 -0.958 3.421 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.334 -2.178 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.200 -3.194 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.587 -3.768 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.396 -2.312 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.547 -1.298 5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.326 -0.749 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.616 0.263 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.180 0.541 7.725 1.00 0.00 H new ATOM 524 N VAL A 66 -2.534 -3.840 0.805 1.00 0.00 N ATOM 525 CA VAL A 66 -3.267 -4.667 -0.152 1.00 0.00 C ATOM 526 C VAL A 66 -2.647 -6.056 -0.259 1.00 0.00 C ATOM 527 O VAL A 66 -1.542 -6.208 -0.782 1.00 0.00 O ATOM 528 CB VAL A 66 -3.295 -4.008 -1.555 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.148 -4.825 -2.527 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.798 -2.567 -1.465 1.00 0.00 C ATOM 0 H VAL A 66 -1.538 -3.746 0.609 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.289 -4.759 0.216 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.276 -3.988 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.151 -4.341 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.733 -5.828 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.169 -4.888 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.810 -2.123 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.807 -2.559 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.137 -1.990 -0.818 1.00 0.00 H new ATOM 540 N THR A 67 -3.344 -7.060 0.264 1.00 0.00 N ATOM 541 CA THR A 67 -2.913 -8.443 0.138 1.00 0.00 C ATOM 542 C THR A 67 -3.163 -8.920 -1.292 1.00 0.00 C ATOM 543 O THR A 67 -4.288 -9.272 -1.655 1.00 0.00 O ATOM 544 CB THR A 67 -3.653 -9.353 1.143 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.529 -8.805 2.465 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.094 -10.774 1.125 1.00 0.00 C ATOM 0 H THR A 67 -4.214 -6.938 0.782 1.00 0.00 H new ATOM 0 HA THR A 67 -1.848 -8.499 0.363 1.00 0.00 H new ATOM 0 HB THR A 67 -4.703 -9.398 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.000 -9.381 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.637 -11.388 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.208 -11.197 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.037 -10.753 1.392 1.00 0.00 H new ATOM 554 N VAL A 68 -2.112 -8.894 -2.102 1.00 0.00 N ATOM 555 CA VAL A 68 -2.229 -9.145 -3.533 1.00 0.00 C ATOM 556 C VAL A 68 -2.123 -10.631 -3.844 1.00 0.00 C ATOM 557 O VAL A 68 -3.026 -11.227 -4.433 1.00 0.00 O ATOM 558 CB VAL A 68 -1.124 -8.400 -4.322 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.416 -8.419 -5.823 1.00 0.00 C ATOM 560 CG2 VAL A 68 -0.958 -6.972 -3.807 1.00 0.00 C ATOM 0 H VAL A 68 -1.161 -8.700 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.209 -8.778 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.181 -8.923 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.625 -7.889 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.460 -9.451 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.372 -7.931 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.177 -6.468 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.897 -6.432 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.681 -6.995 -2.753 1.00 0.00 H new ATOM 570 N SER A 69 -1.003 -11.216 -3.449 1.00 0.00 N ATOM 571 CA SER A 69 -0.700 -12.600 -3.775 1.00 0.00 C ATOM 572 C SER A 69 -1.231 -13.543 -2.701 1.00 0.00 C ATOM 573 O SER A 69 -2.059 -14.417 -2.973 1.00 0.00 O ATOM 574 CB SER A 69 0.818 -12.770 -3.934 1.00 0.00 C ATOM 575 OG SER A 69 1.170 -14.125 -4.153 1.00 0.00 O ATOM 0 H SER A 69 -0.283 -10.749 -2.897 1.00 0.00 H new ATOM 0 HA SER A 69 -1.191 -12.854 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.167 -12.163 -4.769 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.322 -12.402 -3.040 1.00 0.00 H new ATOM 0 HG SER A 69 1.984 -14.337 -3.651 1.00 0.00 H new ATOM 581 N GLY A 70 -0.763 -13.337 -1.478 1.00 0.00 N ATOM 582 CA GLY A 70 -1.032 -14.273 -0.401 1.00 0.00 C ATOM 583 C GLY A 70 0.023 -15.362 -0.353 1.00 0.00 C ATOM 584 O GLY A 70 0.096 -16.132 0.607 1.00 0.00 O ATOM 0 H GLY A 70 -0.197 -12.532 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.055 -13.742 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.016 -14.721 -0.540 1.00 0.00 H new ATOM 588 N ASN A 71 0.850 -15.411 -1.398 1.00 0.00 N ATOM 589 CA ASN A 71 1.942 -16.373 -1.501 1.00 0.00 C ATOM 590 C ASN A 71 3.271 -15.629 -1.685 1.00 0.00 C ATOM 591 O ASN A 71 3.363 -14.713 -2.505 1.00 0.00 O ATOM 592 CB ASN A 71 1.677 -17.341 -2.666 1.00 0.00 C ATOM 593 CG ASN A 71 2.772 -18.384 -2.827 1.00 0.00 C ATOM 594 OD1 ASN A 71 2.767 -19.415 -2.157 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.698 -18.136 -3.733 1.00 0.00 N ATOM 0 H ASN A 71 0.779 -14.782 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 71 2.004 -16.958 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.724 -17.844 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.585 -16.772 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.444 -18.812 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.668 -17.269 -4.269 1.00 0.00 H new ATOM 602 N PRO A 72 4.308 -16.011 -0.910 1.00 0.00 N ATOM 603 CA PRO A 72 5.601 -15.295 -0.841 1.00 0.00 C ATOM 604 C PRO A 72 6.339 -15.121 -2.182 1.00 0.00 C ATOM 605 O PRO A 72 7.284 -14.336 -2.253 1.00 0.00 O ATOM 606 CB PRO A 72 6.437 -16.145 0.132 1.00 0.00 C ATOM 607 CG PRO A 72 5.428 -16.882 0.940 1.00 0.00 C ATOM 608 CD PRO A 72 4.299 -17.179 -0.005 1.00 0.00 C ATOM 0 HA PRO A 72 5.435 -14.266 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.095 -16.830 -0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.071 -15.520 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.848 -17.800 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.087 -16.282 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.461 -18.111 -0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.348 -17.276 0.519 1.00 0.00 H new ATOM 616 N THR A 73 5.965 -15.877 -3.217 1.00 0.00 N ATOM 617 CA THR A 73 6.635 -15.771 -4.521 1.00 0.00 C ATOM 618 C THR A 73 6.691 -14.318 -5.029 1.00 0.00 C ATOM 619 O THR A 73 5.669 -13.723 -5.385 1.00 0.00 O ATOM 620 CB THR A 73 5.952 -16.656 -5.587 1.00 0.00 C ATOM 621 OG1 THR A 73 4.536 -16.453 -5.554 1.00 0.00 O ATOM 622 CG2 THR A 73 6.277 -18.129 -5.372 1.00 0.00 C ATOM 0 H THR A 73 5.211 -16.563 -3.182 1.00 0.00 H new ATOM 0 HA THR A 73 7.654 -16.124 -4.364 1.00 0.00 H new ATOM 0 HB THR A 73 6.335 -16.367 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.109 -17.016 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.782 -18.726 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.355 -18.277 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.927 -18.439 -4.387 1.00 0.00 H new ATOM 630 N GLU A 74 7.904 -13.765 -5.048 1.00 0.00 N ATOM 631 CA GLU A 74 8.157 -12.396 -5.514 1.00 0.00 C ATOM 632 C GLU A 74 7.628 -12.174 -6.932 1.00 0.00 C ATOM 633 O GLU A 74 7.362 -11.039 -7.335 1.00 0.00 O ATOM 634 CB GLU A 74 9.661 -12.098 -5.474 1.00 0.00 C ATOM 635 CG GLU A 74 10.301 -12.344 -4.113 1.00 0.00 C ATOM 636 CD GLU A 74 11.772 -11.971 -4.086 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.619 -12.819 -4.443 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.093 -10.828 -3.714 1.00 0.00 O ATOM 0 H GLU A 74 8.744 -14.254 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 74 7.627 -11.717 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.164 -12.715 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.824 -11.059 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.769 -11.768 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.191 -13.396 -3.848 1.00 0.00 H new ATOM 645 N LYS A 75 7.503 -13.270 -7.680 1.00 0.00 N ATOM 646 CA LYS A 75 6.946 -13.254 -9.036 1.00 0.00 C ATOM 647 C LYS A 75 5.714 -12.351 -9.112 1.00 0.00 C ATOM 648 O LYS A 75 5.710 -11.317 -9.798 1.00 0.00 O ATOM 649 CB LYS A 75 6.545 -14.684 -9.438 1.00 0.00 C ATOM 650 CG LYS A 75 7.682 -15.698 -9.369 1.00 0.00 C ATOM 651 CD LYS A 75 7.180 -17.148 -9.327 1.00 0.00 C ATOM 652 CE LYS A 75 6.399 -17.553 -10.580 1.00 0.00 C ATOM 653 NZ LYS A 75 5.016 -17.002 -10.607 1.00 0.00 N ATOM 0 H LYS A 75 7.785 -14.198 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 75 7.705 -12.867 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.736 -15.018 -8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.151 -14.666 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.333 -15.568 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.286 -15.501 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.032 -17.817 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.544 -17.280 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.938 -17.211 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.352 -18.641 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.349 -17.752 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.766 -16.644 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.965 -16.225 -11.296 1.00 0.00 H new ATOM 667 N GLU A 76 4.697 -12.739 -8.348 1.00 0.00 N ATOM 668 CA GLU A 76 3.385 -12.113 -8.404 1.00 0.00 C ATOM 669 C GLU A 76 3.478 -10.611 -8.141 1.00 0.00 C ATOM 670 O GLU A 76 3.046 -9.805 -8.964 1.00 0.00 O ATOM 671 CB GLU A 76 2.444 -12.762 -7.376 1.00 0.00 C ATOM 672 CG GLU A 76 2.563 -14.282 -7.279 1.00 0.00 C ATOM 673 CD GLU A 76 2.482 -14.980 -8.631 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.394 -14.980 -9.241 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.505 -15.532 -9.083 1.00 0.00 O ATOM 0 H GLU A 76 4.763 -13.499 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 76 2.985 -12.262 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.645 -12.331 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.416 -12.506 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.510 -14.536 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.770 -14.661 -6.634 1.00 0.00 H new ATOM 682 N THR A 77 4.068 -10.251 -7.001 1.00 0.00 N ATOM 683 CA THR A 77 4.094 -8.860 -6.557 1.00 0.00 C ATOM 684 C THR A 77 4.878 -7.972 -7.525 1.00 0.00 C ATOM 685 O THR A 77 4.407 -6.901 -7.899 1.00 0.00 O ATOM 686 CB THR A 77 4.676 -8.721 -5.127 1.00 0.00 C ATOM 687 OG1 THR A 77 4.581 -7.361 -4.680 1.00 0.00 O ATOM 688 CG2 THR A 77 6.131 -9.177 -5.063 1.00 0.00 C ATOM 0 H THR A 77 4.533 -10.903 -6.370 1.00 0.00 H new ATOM 0 HA THR A 77 3.057 -8.524 -6.540 1.00 0.00 H new ATOM 0 HB THR A 77 4.088 -9.364 -4.473 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.800 -7.314 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.503 -9.064 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.198 -10.224 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.733 -8.569 -5.739 1.00 0.00 H new ATOM 696 N GLU A 78 6.058 -8.419 -7.948 1.00 0.00 N ATOM 697 CA GLU A 78 6.901 -7.620 -8.831 1.00 0.00 C ATOM 698 C GLU A 78 6.174 -7.345 -10.148 1.00 0.00 C ATOM 699 O GLU A 78 6.069 -6.193 -10.587 1.00 0.00 O ATOM 700 CB GLU A 78 8.241 -8.334 -9.071 1.00 0.00 C ATOM 701 CG GLU A 78 9.238 -7.543 -9.919 1.00 0.00 C ATOM 702 CD GLU A 78 10.625 -8.175 -9.936 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.748 -9.338 -10.375 1.00 0.00 O ATOM 704 OE2 GLU A 78 11.594 -7.525 -9.487 1.00 0.00 O ATOM 0 H GLU A 78 6.450 -9.326 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 78 7.110 -6.661 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.698 -8.555 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.047 -9.290 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.863 -7.470 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.311 -6.526 -9.533 1.00 0.00 H new ATOM 711 N GLU A 79 5.632 -8.403 -10.746 1.00 0.00 N ATOM 712 CA GLU A 79 4.924 -8.283 -12.018 1.00 0.00 C ATOM 713 C GLU A 79 3.686 -7.388 -11.889 1.00 0.00 C ATOM 714 O GLU A 79 3.528 -6.416 -12.638 1.00 0.00 O ATOM 715 CB GLU A 79 4.540 -9.676 -12.532 1.00 0.00 C ATOM 716 CG GLU A 79 5.750 -10.511 -12.941 1.00 0.00 C ATOM 717 CD GLU A 79 5.417 -11.968 -13.221 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.569 -12.238 -14.095 1.00 0.00 O ATOM 719 OE2 GLU A 79 6.031 -12.854 -12.585 1.00 0.00 O ATOM 0 H GLU A 79 5.669 -9.351 -10.371 1.00 0.00 H new ATOM 0 HA GLU A 79 5.591 -7.810 -12.739 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.986 -10.204 -11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.871 -9.571 -13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.200 -10.072 -13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.498 -10.463 -12.150 1.00 0.00 H new ATOM 726 N ILE A 80 2.826 -7.696 -10.921 1.00 0.00 N ATOM 727 CA ILE A 80 1.558 -6.983 -10.778 1.00 0.00 C ATOM 728 C ILE A 80 1.785 -5.524 -10.368 1.00 0.00 C ATOM 729 O ILE A 80 1.139 -4.621 -10.900 1.00 0.00 O ATOM 730 CB ILE A 80 0.608 -7.685 -9.766 1.00 0.00 C ATOM 731 CG1 ILE A 80 -0.820 -7.123 -9.882 1.00 0.00 C ATOM 732 CG2 ILE A 80 1.119 -7.544 -8.333 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.455 -7.335 -11.244 1.00 0.00 C ATOM 0 H ILE A 80 2.982 -8.429 -10.229 1.00 0.00 H new ATOM 0 HA ILE A 80 1.076 -6.998 -11.755 1.00 0.00 H new ATOM 0 HB ILE A 80 0.588 -8.746 -10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.447 -7.591 -9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.799 -6.055 -9.664 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.432 -8.045 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.107 -7.998 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.183 -6.488 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.460 -6.912 -11.247 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.852 -6.843 -12.007 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.510 -8.402 -11.457 1.00 0.00 H new ATOM 745 N THR A 81 2.718 -5.293 -9.446 1.00 0.00 N ATOM 746 CA THR A 81 3.021 -3.940 -8.988 1.00 0.00 C ATOM 747 C THR A 81 3.642 -3.116 -10.120 1.00 0.00 C ATOM 748 O THR A 81 3.446 -1.898 -10.194 1.00 0.00 O ATOM 749 CB THR A 81 3.951 -3.956 -7.748 1.00 0.00 C ATOM 750 OG1 THR A 81 3.313 -4.668 -6.673 1.00 0.00 O ATOM 751 CG2 THR A 81 4.292 -2.543 -7.279 1.00 0.00 C ATOM 0 H THR A 81 3.275 -6.023 -9.003 1.00 0.00 H new ATOM 0 HA THR A 81 2.083 -3.471 -8.691 1.00 0.00 H new ATOM 0 HB THR A 81 4.877 -4.454 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.489 -5.628 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.945 -2.596 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.799 -2.006 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.375 -2.017 -7.013 1.00 0.00 H new ATOM 759 N SER A 82 4.374 -3.781 -11.015 1.00 0.00 N ATOM 760 CA SER A 82 4.887 -3.128 -12.216 1.00 0.00 C ATOM 761 C SER A 82 3.715 -2.674 -13.097 1.00 0.00 C ATOM 762 O SER A 82 3.674 -1.524 -13.564 1.00 0.00 O ATOM 763 CB SER A 82 5.814 -4.080 -12.988 1.00 0.00 C ATOM 764 OG SER A 82 6.442 -3.424 -14.079 1.00 0.00 O ATOM 0 H SER A 82 4.623 -4.766 -10.930 1.00 0.00 H new ATOM 0 HA SER A 82 5.468 -2.252 -11.928 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.574 -4.476 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.240 -4.930 -13.355 1.00 0.00 H new ATOM 0 HG SER A 82 7.026 -4.056 -14.548 1.00 0.00 H new ATOM 770 N LEU A 83 2.748 -3.576 -13.291 1.00 0.00 N ATOM 771 CA LEU A 83 1.538 -3.264 -14.056 1.00 0.00 C ATOM 772 C LEU A 83 0.784 -2.102 -13.408 1.00 0.00 C ATOM 773 O LEU A 83 0.217 -1.247 -14.098 1.00 0.00 O ATOM 774 CB LEU A 83 0.621 -4.495 -14.153 1.00 0.00 C ATOM 775 CG LEU A 83 1.239 -5.724 -14.843 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.256 -6.895 -14.849 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.682 -5.381 -16.265 1.00 0.00 C ATOM 0 H LEU A 83 2.780 -4.529 -12.928 1.00 0.00 H new ATOM 0 HA LEU A 83 1.838 -2.975 -15.063 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.315 -4.780 -13.146 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.283 -4.212 -14.693 1.00 0.00 H new ATOM 0 HG LEU A 83 2.120 -6.024 -14.276 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.714 -7.752 -15.342 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.000 -7.160 -13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.648 -6.608 -15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.116 -6.264 -16.734 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.821 -5.049 -16.844 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.426 -4.585 -16.232 1.00 0.00 H new ATOM 789 N TRP A 84 0.784 -2.084 -12.076 1.00 0.00 N ATOM 790 CA TRP A 84 0.160 -1.007 -11.315 1.00 0.00 C ATOM 791 C TRP A 84 0.875 0.308 -11.571 1.00 0.00 C ATOM 792 O TRP A 84 0.237 1.339 -11.775 1.00 0.00 O ATOM 793 CB TRP A 84 0.179 -1.313 -9.815 1.00 0.00 C ATOM 794 CG TRP A 84 -0.702 -2.456 -9.421 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.532 -3.177 -10.230 1.00 0.00 C ATOM 796 CD2 TRP A 84 -0.847 -3.000 -8.109 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.180 -4.137 -9.502 1.00 0.00 N ATOM 798 CE2 TRP A 84 -1.778 -4.048 -8.192 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.277 -2.702 -6.870 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.152 -4.796 -7.080 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.650 -3.444 -5.769 1.00 0.00 C ATOM 802 CH2 TRP A 84 -1.580 -4.482 -5.882 1.00 0.00 C ATOM 0 H TRP A 84 1.212 -2.809 -11.500 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.876 -0.925 -11.644 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.202 -1.534 -9.512 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.131 -0.422 -9.268 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.659 -3.013 -11.290 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.852 -4.809 -9.872 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.444 -1.904 -6.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.871 -5.598 -7.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.217 -3.220 -4.805 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.851 -5.047 -5.002 1.00 0.00 H new ATOM 813 N GLN A 85 2.205 0.263 -11.559 1.00 0.00 N ATOM 814 CA GLN A 85 3.011 1.448 -11.810 1.00 0.00 C ATOM 815 C GLN A 85 2.601 2.069 -13.137 1.00 0.00 C ATOM 816 O GLN A 85 2.170 3.222 -13.183 1.00 0.00 O ATOM 817 CB GLN A 85 4.504 1.091 -11.823 1.00 0.00 C ATOM 818 CG GLN A 85 5.422 2.285 -12.076 1.00 0.00 C ATOM 819 CD GLN A 85 6.893 1.902 -12.054 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.534 1.923 -11.005 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.438 1.553 -13.211 1.00 0.00 N ATOM 0 H GLN A 85 2.745 -0.583 -11.378 1.00 0.00 H new ATOM 0 HA GLN A 85 2.843 2.169 -11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.768 0.638 -10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.681 0.339 -12.592 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.179 2.728 -13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.237 3.048 -11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.873 1.548 -14.060 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.422 1.289 -13.252 1.00 0.00 H new ATOM 830 N GLY A 86 2.731 1.288 -14.207 1.00 0.00 N ATOM 831 CA GLY A 86 2.290 1.732 -15.517 1.00 0.00 C ATOM 832 C GLY A 86 0.893 2.335 -15.505 1.00 0.00 C ATOM 833 O GLY A 86 0.726 3.518 -15.787 1.00 0.00 O ATOM 0 H GLY A 86 3.136 0.352 -14.189 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.994 2.470 -15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.308 0.887 -16.205 1.00 0.00 H new ATOM 837 N SER A 87 -0.099 1.530 -15.137 1.00 0.00 N ATOM 838 CA SER A 87 -1.505 1.936 -15.211 1.00 0.00 C ATOM 839 C SER A 87 -1.798 3.191 -14.371 1.00 0.00 C ATOM 840 O SER A 87 -2.269 4.203 -14.895 1.00 0.00 O ATOM 841 CB SER A 87 -2.402 0.773 -14.765 1.00 0.00 C ATOM 842 OG SER A 87 -2.133 -0.398 -15.529 1.00 0.00 O ATOM 0 H SER A 87 0.043 0.585 -14.781 1.00 0.00 H new ATOM 0 HA SER A 87 -1.721 2.192 -16.248 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.239 0.567 -13.707 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.450 1.053 -14.877 1.00 0.00 H new ATOM 0 HG SER A 87 -1.342 -0.850 -15.168 1.00 0.00 H new ATOM 848 N LEU A 88 -1.504 3.124 -13.072 1.00 0.00 N ATOM 849 CA LEU A 88 -1.836 4.205 -12.137 1.00 0.00 C ATOM 850 C LEU A 88 -1.129 5.511 -12.516 1.00 0.00 C ATOM 851 O LEU A 88 -1.746 6.577 -12.555 1.00 0.00 O ATOM 852 CB LEU A 88 -1.455 3.798 -10.704 1.00 0.00 C ATOM 853 CG LEU A 88 -2.164 2.541 -10.158 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.540 2.103 -8.837 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.663 2.791 -9.984 1.00 0.00 C ATOM 0 H LEU A 88 -1.034 2.329 -12.640 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.911 4.377 -12.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.378 3.631 -10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.671 4.634 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.035 1.739 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.054 1.215 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.485 1.874 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.634 2.906 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.140 1.890 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.816 3.611 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.103 3.050 -10.947 1.00 0.00 H new ATOM 867 N PHE A 89 0.163 5.418 -12.804 1.00 0.00 N ATOM 868 CA PHE A 89 0.961 6.598 -13.136 1.00 0.00 C ATOM 869 C PHE A 89 0.607 7.130 -14.528 1.00 0.00 C ATOM 870 O PHE A 89 0.723 8.329 -14.787 1.00 0.00 O ATOM 871 CB PHE A 89 2.461 6.288 -13.025 1.00 0.00 C ATOM 872 CG PHE A 89 2.946 6.153 -11.597 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.571 5.066 -10.815 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.777 7.117 -11.038 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.015 4.946 -9.512 1.00 0.00 C ATOM 876 CE2 PHE A 89 4.222 6.998 -9.735 1.00 0.00 C ATOM 877 CZ PHE A 89 3.841 5.911 -8.971 1.00 0.00 C ATOM 0 H PHE A 89 0.683 4.540 -12.815 1.00 0.00 H new ATOM 0 HA PHE A 89 0.724 7.380 -12.415 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.673 5.363 -13.561 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.025 7.079 -13.519 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.925 4.307 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.078 7.969 -11.629 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.716 4.096 -8.916 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.868 7.754 -9.314 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.189 5.817 -7.953 1.00 0.00 H new ATOM 887 N ASN A 90 0.149 6.243 -15.410 1.00 0.00 N ATOM 888 CA ASN A 90 -0.272 6.643 -16.760 1.00 0.00 C ATOM 889 C ASN A 90 -1.636 7.329 -16.702 1.00 0.00 C ATOM 890 O ASN A 90 -1.960 8.170 -17.541 1.00 0.00 O ATOM 891 CB ASN A 90 -0.333 5.427 -17.699 1.00 0.00 C ATOM 892 CG ASN A 90 -0.705 5.794 -19.128 1.00 0.00 C ATOM 893 OD1 ASN A 90 -0.436 6.903 -19.593 1.00 0.00 O ATOM 894 ND2 ASN A 90 -1.315 4.858 -19.842 1.00 0.00 N ATOM 0 H ASN A 90 0.059 5.245 -15.219 1.00 0.00 H new ATOM 0 HA ASN A 90 0.464 7.343 -17.154 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.635 4.927 -17.699 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.060 4.713 -17.312 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.577 5.045 -20.810 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.522 3.951 -19.424 1.00 0.00 H new ATOM 901 N ALA A 91 -2.432 6.957 -15.702 1.00 0.00 N ATOM 902 CA ALA A 91 -3.728 7.590 -15.465 1.00 0.00 C ATOM 903 C ALA A 91 -3.569 8.791 -14.527 1.00 0.00 C ATOM 904 O ALA A 91 -4.555 9.433 -14.148 1.00 0.00 O ATOM 905 CB ALA A 91 -4.712 6.579 -14.883 1.00 0.00 C ATOM 0 H ALA A 91 -2.201 6.217 -15.040 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.123 7.947 -16.416 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.673 7.064 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.842 5.753 -15.583 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.325 6.197 -13.939 1.00 0.00 H new ATOM 911 N ASN A 92 -2.317 9.078 -14.173 1.00 0.00 N ATOM 912 CA ASN A 92 -1.961 10.188 -13.284 1.00 0.00 C ATOM 913 C ASN A 92 -2.559 10.008 -11.889 1.00 0.00 C ATOM 914 O ASN A 92 -3.572 10.620 -11.539 1.00 0.00 O ATOM 915 CB ASN A 92 -2.369 11.547 -13.879 1.00 0.00 C ATOM 916 CG ASN A 92 -1.944 12.721 -13.000 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.832 13.235 -13.123 1.00 0.00 O ATOM 918 ND2 ASN A 92 -2.825 13.160 -12.114 1.00 0.00 N ATOM 0 H ASN A 92 -1.512 8.542 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.875 10.178 -13.187 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.922 11.656 -14.867 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.450 11.571 -14.014 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.591 13.946 -11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.738 12.712 -12.037 1.00 0.00 H new ATOM 925 N TYR A 93 -1.952 9.118 -11.118 1.00 0.00 N ATOM 926 CA TYR A 93 -2.259 8.981 -9.698 1.00 0.00 C ATOM 927 C TYR A 93 -1.097 9.535 -8.881 1.00 0.00 C ATOM 928 O TYR A 93 0.036 9.072 -9.008 1.00 0.00 O ATOM 929 CB TYR A 93 -2.525 7.509 -9.329 1.00 0.00 C ATOM 930 CG TYR A 93 -3.893 6.993 -9.752 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.365 7.183 -11.044 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.713 6.316 -8.851 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.605 6.716 -11.430 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.954 5.843 -9.233 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.395 6.046 -10.523 1.00 0.00 C ATOM 936 OH TYR A 93 -7.629 5.572 -10.912 1.00 0.00 O ATOM 0 H TYR A 93 -1.237 8.473 -11.454 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.164 9.545 -9.474 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.757 6.887 -9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.424 7.394 -8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.750 7.706 -11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.373 6.159 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.954 6.875 -12.439 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.576 5.317 -8.524 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.321 6.221 -10.667 1.00 0.00 H new ATOM 946 N ASP A 94 -1.388 10.518 -8.035 1.00 0.00 N ATOM 947 CA ASP A 94 -0.364 11.209 -7.245 1.00 0.00 C ATOM 948 C ASP A 94 0.001 10.392 -6.003 1.00 0.00 C ATOM 949 O ASP A 94 0.472 10.932 -4.997 1.00 0.00 O ATOM 950 CB ASP A 94 -0.876 12.594 -6.826 1.00 0.00 C ATOM 951 CG ASP A 94 -1.314 13.447 -8.009 1.00 0.00 C ATOM 952 OD1 ASP A 94 -2.487 13.334 -8.432 1.00 0.00 O ATOM 953 OD2 ASP A 94 -0.494 14.249 -8.513 1.00 0.00 O ATOM 0 H ASP A 94 -2.335 10.860 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 94 0.529 11.325 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.715 12.474 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.091 13.116 -6.279 1.00 0.00 H new ATOM 958 N VAL A 95 -0.183 9.084 -6.104 1.00 0.00 N ATOM 959 CA VAL A 95 -0.014 8.171 -4.982 1.00 0.00 C ATOM 960 C VAL A 95 1.409 7.624 -4.935 1.00 0.00 C ATOM 961 O VAL A 95 2.111 7.620 -5.949 1.00 0.00 O ATOM 962 CB VAL A 95 -1.004 6.985 -5.105 1.00 0.00 C ATOM 963 CG1 VAL A 95 -2.429 7.494 -5.304 1.00 0.00 C ATOM 964 CG2 VAL A 95 -0.607 6.045 -6.247 1.00 0.00 C ATOM 0 H VAL A 95 -0.455 8.623 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.213 8.727 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.962 6.419 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.110 6.647 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.718 8.108 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.478 8.091 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.321 5.224 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.607 6.595 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.390 5.646 -6.060 1.00 0.00 H new ATOM 974 N GLN A 96 1.842 7.171 -3.760 1.00 0.00 N ATOM 975 CA GLN A 96 3.102 6.439 -3.652 1.00 0.00 C ATOM 976 C GLN A 96 2.821 4.995 -3.267 1.00 0.00 C ATOM 977 O GLN A 96 1.783 4.695 -2.684 1.00 0.00 O ATOM 978 CB GLN A 96 4.058 7.106 -2.650 1.00 0.00 C ATOM 979 CG GLN A 96 4.714 8.371 -3.197 1.00 0.00 C ATOM 980 CD GLN A 96 5.758 8.950 -2.260 1.00 0.00 C ATOM 981 OE1 GLN A 96 5.448 9.778 -1.409 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.013 8.522 -2.411 1.00 0.00 N ATOM 0 H GLN A 96 1.345 7.296 -2.878 1.00 0.00 H new ATOM 0 HA GLN A 96 3.598 6.456 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.508 7.353 -1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.834 6.394 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.180 8.146 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.945 9.121 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.234 7.832 -3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.751 8.884 -1.808 1.00 0.00 H new ATOM 991 N ARG A 97 3.736 4.099 -3.615 1.00 0.00 N ATOM 992 CA ARG A 97 3.571 2.682 -3.308 1.00 0.00 C ATOM 993 C ARG A 97 4.928 2.045 -3.039 1.00 0.00 C ATOM 994 O ARG A 97 5.913 2.348 -3.724 1.00 0.00 O ATOM 995 CB ARG A 97 2.842 1.941 -4.454 1.00 0.00 C ATOM 996 CG ARG A 97 3.708 1.617 -5.678 1.00 0.00 C ATOM 997 CD ARG A 97 4.261 2.866 -6.358 1.00 0.00 C ATOM 998 NE ARG A 97 5.165 2.538 -7.463 1.00 0.00 N ATOM 999 CZ ARG A 97 6.499 2.498 -7.362 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.093 2.666 -6.183 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.241 2.260 -8.432 1.00 0.00 N ATOM 0 H ARG A 97 4.599 4.327 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 97 2.955 2.597 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.434 1.010 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.997 2.548 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.537 0.978 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.116 1.050 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.435 3.470 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.792 3.473 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 97 4.750 2.326 -8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.531 2.827 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.110 2.634 -6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.796 2.106 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.257 2.230 -8.351 1.00 0.00 H new ATOM 1015 N PHE A 98 4.979 1.196 -2.023 1.00 0.00 N ATOM 1016 CA PHE A 98 6.187 0.460 -1.671 1.00 0.00 C ATOM 1017 C PHE A 98 5.910 -1.038 -1.708 1.00 0.00 C ATOM 1018 O PHE A 98 4.770 -1.481 -1.486 1.00 0.00 O ATOM 1019 CB PHE A 98 6.705 0.885 -0.287 1.00 0.00 C ATOM 1020 CG PHE A 98 7.389 2.237 -0.275 1.00 0.00 C ATOM 1021 CD1 PHE A 98 6.701 3.390 -0.629 1.00 0.00 C ATOM 1022 CD2 PHE A 98 8.721 2.351 0.096 1.00 0.00 C ATOM 1023 CE1 PHE A 98 7.327 4.620 -0.617 1.00 0.00 C ATOM 1024 CE2 PHE A 98 9.351 3.581 0.110 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.653 4.716 -0.245 1.00 0.00 C ATOM 0 H PHE A 98 4.183 0.997 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 98 6.962 0.692 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.869 0.906 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.405 0.132 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.662 3.323 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.273 1.467 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.780 5.507 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 98 10.389 3.653 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.143 5.678 -0.232 1.00 0.00 H new ATOM 1035 N ILE A 99 6.953 -1.808 -1.993 1.00 0.00 N ATOM 1036 CA ILE A 99 6.837 -3.247 -2.160 1.00 0.00 C ATOM 1037 C ILE A 99 7.733 -3.982 -1.159 1.00 0.00 C ATOM 1038 O ILE A 99 8.912 -4.236 -1.412 1.00 0.00 O ATOM 1039 CB ILE A 99 7.169 -3.671 -3.622 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.159 -5.205 -3.769 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.509 -3.082 -4.076 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.454 -5.686 -5.177 1.00 0.00 C ATOM 0 H ILE A 99 7.901 -1.451 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 99 5.803 -3.527 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 99 6.391 -3.269 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.895 -5.631 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.184 -5.584 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.715 -3.394 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.462 -1.994 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.304 -3.438 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.430 -6.775 -5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.703 -5.290 -5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.441 -5.338 -5.481 1.00 0.00 H new ATOM 1054 N VAL A 100 7.165 -4.277 0.000 1.00 0.00 N ATOM 1055 CA VAL A 100 7.827 -5.075 1.022 1.00 0.00 C ATOM 1056 C VAL A 100 6.880 -6.193 1.438 1.00 0.00 C ATOM 1057 O VAL A 100 5.714 -5.935 1.726 1.00 0.00 O ATOM 1058 CB VAL A 100 8.240 -4.217 2.251 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.038 -3.480 2.844 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.931 -5.079 3.309 1.00 0.00 C ATOM 0 H VAL A 100 6.228 -3.969 0.260 1.00 0.00 H new ATOM 0 HA VAL A 100 8.747 -5.490 0.612 1.00 0.00 H new ATOM 0 HB VAL A 100 8.951 -3.466 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.360 -2.889 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.607 -2.821 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.289 -4.204 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.211 -4.457 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.250 -5.863 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.825 -5.533 2.881 1.00 0.00 H new ATOM 1070 N GLY A 101 7.371 -7.428 1.446 1.00 0.00 N ATOM 1071 CA GLY A 101 6.493 -8.571 1.631 1.00 0.00 C ATOM 1072 C GLY A 101 5.808 -8.928 0.328 1.00 0.00 C ATOM 1073 O GLY A 101 4.848 -8.282 -0.077 1.00 0.00 O ATOM 0 H GLY A 101 8.358 -7.658 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.067 -9.424 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.746 -8.344 2.392 1.00 0.00 H new ATOM 1077 N SER A 102 6.311 -9.959 -0.334 1.00 0.00 N ATOM 1078 CA SER A 102 5.910 -10.277 -1.701 1.00 0.00 C ATOM 1079 C SER A 102 4.420 -10.632 -1.843 1.00 0.00 C ATOM 1080 O SER A 102 3.921 -10.766 -2.963 1.00 0.00 O ATOM 1081 CB SER A 102 6.773 -11.424 -2.218 1.00 0.00 C ATOM 1082 OG SER A 102 8.152 -11.143 -2.029 1.00 0.00 O ATOM 0 H SER A 102 7.005 -10.597 0.056 1.00 0.00 H new ATOM 0 HA SER A 102 6.061 -9.376 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.511 -12.345 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.572 -11.587 -3.277 1.00 0.00 H new ATOM 0 HG SER A 102 8.584 -11.906 -1.592 1.00 0.00 H new ATOM 1088 N ASP A 103 3.713 -10.796 -0.731 1.00 0.00 N ATOM 1089 CA ASP A 103 2.293 -11.147 -0.781 1.00 0.00 C ATOM 1090 C ASP A 103 1.409 -9.907 -0.654 1.00 0.00 C ATOM 1091 O ASP A 103 0.232 -9.935 -1.038 1.00 0.00 O ATOM 1092 CB ASP A 103 1.952 -12.149 0.334 1.00 0.00 C ATOM 1093 CG ASP A 103 2.060 -11.547 1.731 1.00 0.00 C ATOM 1094 OD1 ASP A 103 3.025 -10.795 1.982 1.00 0.00 O ATOM 1095 OD2 ASP A 103 1.195 -11.851 2.586 1.00 0.00 O ATOM 0 H ASP A 103 4.093 -10.693 0.210 1.00 0.00 H new ATOM 0 HA ASP A 103 2.098 -11.606 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.939 -12.522 0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.621 -13.006 0.261 1.00 0.00 H new ATOM 1100 N ARG A 104 1.977 -8.817 -0.142 1.00 0.00 N ATOM 1101 CA ARG A 104 1.202 -7.621 0.181 1.00 0.00 C ATOM 1102 C ARG A 104 1.947 -6.351 -0.249 1.00 0.00 C ATOM 1103 O ARG A 104 3.134 -6.193 0.026 1.00 0.00 O ATOM 1104 CB ARG A 104 0.928 -7.600 1.693 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.190 -6.657 2.132 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.402 -6.723 3.642 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.694 -6.165 4.065 1.00 0.00 N ATOM 1108 CZ ARG A 104 -2.145 -6.208 5.325 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.408 -6.764 6.277 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -3.335 -5.704 5.632 1.00 0.00 N ATOM 0 H ARG A 104 2.974 -8.738 0.059 1.00 0.00 H new ATOM 0 HA ARG A 104 0.258 -7.647 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.679 -8.611 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.845 -7.317 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.056 -5.636 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.115 -6.921 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.337 -7.761 3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.402 -6.182 4.140 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.280 -5.720 3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.496 -7.160 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.753 -6.796 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.912 -5.280 4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.672 -5.741 6.594 1.00 0.00 H new ATOM 1124 N ALA A 105 1.237 -5.454 -0.929 1.00 0.00 N ATOM 1125 CA ALA A 105 1.798 -4.171 -1.358 1.00 0.00 C ATOM 1126 C ALA A 105 1.230 -3.052 -0.486 1.00 0.00 C ATOM 1127 O ALA A 105 0.125 -3.191 0.048 1.00 0.00 O ATOM 1128 CB ALA A 105 1.482 -3.919 -2.829 1.00 0.00 C ATOM 0 H ALA A 105 0.263 -5.592 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 105 2.882 -4.195 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.905 -2.962 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.913 -4.716 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.401 -3.899 -2.971 1.00 0.00 H new ATOM 1134 N ILE A 106 1.963 -1.949 -0.332 1.00 0.00 N ATOM 1135 CA ILE A 106 1.491 -0.844 0.510 1.00 0.00 C ATOM 1136 C ILE A 106 1.464 0.475 -0.268 1.00 0.00 C ATOM 1137 O ILE A 106 2.390 0.784 -1.020 1.00 0.00 O ATOM 1138 CB ILE A 106 2.355 -0.702 1.795 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.854 0.468 2.663 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.833 -0.536 1.448 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.623 0.643 3.959 1.00 0.00 C ATOM 0 H ILE A 106 2.871 -1.795 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 106 0.471 -1.081 0.813 1.00 0.00 H new ATOM 0 HB ILE A 106 2.252 -1.620 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.919 1.390 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.801 0.311 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.413 -0.439 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.176 -1.408 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.965 0.358 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.212 1.486 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.537 -0.263 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.673 0.833 3.736 1.00 0.00 H new ATOM 1153 N PHE A 107 0.381 1.236 -0.096 1.00 0.00 N ATOM 1154 CA PHE A 107 0.187 2.511 -0.790 1.00 0.00 C ATOM 1155 C PHE A 107 0.100 3.662 0.208 1.00 0.00 C ATOM 1156 O PHE A 107 -0.525 3.540 1.263 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.090 2.472 -1.652 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.951 1.671 -2.925 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.706 0.305 -2.880 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.062 2.284 -4.169 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -0.574 -0.427 -4.042 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.930 1.552 -5.333 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.685 0.198 -5.269 1.00 0.00 C ATOM 0 H PHE A 107 -0.386 0.986 0.528 1.00 0.00 H new ATOM 0 HA PHE A 107 1.047 2.673 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.903 2.053 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.375 3.493 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.618 -0.190 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.254 3.345 -4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.384 -1.489 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.019 2.041 -6.292 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.580 -0.375 -6.178 1.00 0.00 H new ATOM 1173 N MET A 108 0.736 4.775 -0.138 1.00 0.00 N ATOM 1174 CA MET A 108 0.730 5.983 0.678 1.00 0.00 C ATOM 1175 C MET A 108 -0.095 7.063 -0.013 1.00 0.00 C ATOM 1176 O MET A 108 0.265 7.515 -1.115 1.00 0.00 O ATOM 1177 CB MET A 108 2.164 6.480 0.898 1.00 0.00 C ATOM 1178 CG MET A 108 3.065 5.477 1.605 1.00 0.00 C ATOM 1179 SD MET A 108 3.365 3.984 0.642 1.00 0.00 S ATOM 1180 CE MET A 108 4.374 3.052 1.791 1.00 0.00 C ATOM 0 H MET A 108 1.275 4.865 -1.000 1.00 0.00 H new ATOM 0 HA MET A 108 0.286 5.756 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.603 6.730 -0.068 1.00 0.00 H new ATOM 0 HB3 MET A 108 2.133 7.400 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 108 4.019 5.953 1.831 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.613 5.202 2.558 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.601 2.075 1.366 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.303 3.591 1.979 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.833 2.923 2.728 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.202 7.464 0.624 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.141 8.410 0.026 1.00 0.00 C ATOM 1192 C LEU A 109 -2.401 9.606 0.952 1.00 0.00 C ATOM 1193 O LEU A 109 -3.134 9.492 1.936 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.491 7.719 -0.266 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.423 6.310 -0.887 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -4.825 5.778 -1.164 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -2.597 6.308 -2.164 1.00 0.00 C ATOM 0 H LEU A 109 -1.466 7.145 1.556 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.690 8.765 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.050 7.654 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.064 8.360 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.934 5.654 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.756 4.782 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.385 5.726 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.337 6.445 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.568 5.300 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.047 6.985 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.582 6.638 -1.941 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.796 10.749 0.646 1.00 0.00 N ATOM 1210 CA ARG A 110 -2.206 12.012 1.268 1.00 0.00 C ATOM 1211 C ARG A 110 -3.119 12.758 0.295 1.00 0.00 C ATOM 1212 O ARG A 110 -3.517 13.902 0.518 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.998 12.868 1.687 1.00 0.00 C ATOM 1214 CG ARG A 110 -0.181 12.257 2.832 1.00 0.00 C ATOM 1215 CD ARG A 110 0.754 13.275 3.491 1.00 0.00 C ATOM 1216 NE ARG A 110 0.017 14.335 4.191 1.00 0.00 N ATOM 1217 CZ ARG A 110 -0.217 15.557 3.696 1.00 0.00 C ATOM 1218 NH1 ARG A 110 0.235 15.895 2.493 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -0.898 16.443 4.417 1.00 0.00 N ATOM 0 H ARG A 110 -1.028 10.832 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.751 11.799 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.348 13.011 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.349 13.855 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.860 11.852 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.407 11.422 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.407 12.762 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.395 13.722 2.731 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.343 14.125 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.764 15.222 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.052 16.828 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.240 16.191 5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.078 17.375 4.043 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.422 12.068 -0.800 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.399 12.496 -1.791 1.00 0.00 C ATOM 1235 C ASP A 111 -5.062 11.247 -2.356 1.00 0.00 C ATOM 1236 O ASP A 111 -4.368 10.344 -2.825 1.00 0.00 O ATOM 1237 CB ASP A 111 -3.725 13.292 -2.916 1.00 0.00 C ATOM 1238 CG ASP A 111 -4.714 13.734 -3.987 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -5.444 14.720 -3.752 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -4.772 13.095 -5.061 1.00 0.00 O ATOM 0 H ASP A 111 -2.984 11.175 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.139 13.148 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.235 14.169 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.947 12.681 -3.374 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.386 11.168 -2.283 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.057 9.942 -2.668 1.00 0.00 C ATOM 1247 C GLY A 112 -8.549 10.098 -2.864 1.00 0.00 C ATOM 1248 O GLY A 112 -9.342 9.407 -2.222 1.00 0.00 O ATOM 0 H GLY A 112 -6.999 11.920 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.615 9.572 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.877 9.185 -1.904 1.00 0.00 H new ATOM 1252 N SER A 113 -8.945 11.002 -3.751 1.00 0.00 N ATOM 1253 CA SER A 113 -10.336 11.075 -4.187 1.00 0.00 C ATOM 1254 C SER A 113 -10.672 9.804 -4.969 1.00 0.00 C ATOM 1255 O SER A 113 -11.821 9.363 -5.029 1.00 0.00 O ATOM 1256 CB SER A 113 -10.560 12.321 -5.055 1.00 0.00 C ATOM 1257 OG SER A 113 -11.920 12.450 -5.442 1.00 0.00 O ATOM 0 H SER A 113 -8.328 11.691 -4.181 1.00 0.00 H new ATOM 0 HA SER A 113 -10.991 11.152 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.252 13.209 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.932 12.264 -5.944 1.00 0.00 H new ATOM 0 HG SER A 113 -12.029 13.254 -5.992 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.628 9.215 -5.547 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.727 7.964 -6.298 1.00 0.00 C ATOM 1265 C TYR A 114 -9.354 6.757 -5.426 1.00 0.00 C ATOM 1266 O TYR A 114 -8.971 5.712 -5.948 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.826 8.026 -7.549 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.478 8.698 -7.324 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.638 8.307 -6.286 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -7.055 9.738 -8.148 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.423 8.930 -6.076 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.842 10.365 -7.941 1.00 0.00 C ATOM 1273 CZ TYR A 114 -5.029 9.959 -6.905 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.820 10.583 -6.697 1.00 0.00 O ATOM 0 H TYR A 114 -8.682 9.594 -5.508 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.763 7.837 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.656 7.011 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.357 8.560 -8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.941 7.502 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.686 10.060 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.784 8.612 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.531 11.171 -8.589 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.959 11.398 -6.171 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.489 6.905 -4.107 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.162 5.831 -3.160 1.00 0.00 C ATOM 1286 C ALA A 115 -9.947 4.555 -3.473 1.00 0.00 C ATOM 1287 O ALA A 115 -9.379 3.464 -3.577 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.438 6.283 -1.731 1.00 0.00 C ATOM 0 H ALA A 115 -9.824 7.762 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.100 5.606 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.191 5.477 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.828 7.157 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.492 6.539 -1.628 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.257 4.697 -3.636 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.114 3.551 -3.921 1.00 0.00 C ATOM 1296 C TRP A 116 -11.978 3.124 -5.376 1.00 0.00 C ATOM 1297 O TRP A 116 -12.168 1.957 -5.705 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.579 3.861 -3.557 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.043 3.136 -2.324 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.221 2.463 -2.161 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.324 2.989 -1.090 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.280 1.912 -0.905 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.129 2.220 -0.229 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.079 3.433 -0.627 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -13.731 1.886 1.060 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -11.686 3.100 0.652 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -12.509 2.332 1.483 1.00 0.00 C ATOM 0 H TRP A 116 -11.748 5.589 -3.576 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.790 2.715 -3.301 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.691 4.934 -3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.221 3.590 -4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.993 2.377 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.055 1.362 -0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.437 4.026 -1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -14.364 1.295 1.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -10.728 3.437 1.018 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.172 2.086 2.479 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.623 4.069 -6.240 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.398 3.771 -7.651 1.00 0.00 C ATOM 1320 C GLU A 117 -10.208 2.818 -7.810 1.00 0.00 C ATOM 1321 O GLU A 117 -10.301 1.794 -8.502 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.168 5.070 -8.436 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.881 4.861 -9.919 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.878 6.161 -10.709 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -9.987 7.005 -10.473 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.772 6.347 -11.559 1.00 0.00 O ATOM 0 H GLU A 117 -11.485 5.048 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.283 3.279 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.049 5.704 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.333 5.609 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.914 4.371 -10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.630 4.189 -10.338 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.099 3.147 -7.148 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.916 2.293 -7.169 1.00 0.00 C ATOM 1335 C ILE A 118 -8.213 0.987 -6.434 1.00 0.00 C ATOM 1336 O ILE A 118 -7.812 -0.088 -6.879 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.665 3.001 -6.565 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.415 2.107 -6.673 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.903 3.405 -5.112 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.145 2.778 -6.193 1.00 0.00 C ATOM 0 H ILE A 118 -8.997 3.996 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.677 2.075 -8.210 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.492 3.907 -7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.577 1.199 -6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.285 1.803 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.012 3.896 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.748 4.091 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.119 2.517 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.307 2.089 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.958 3.671 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.255 3.057 -5.145 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.959 1.084 -5.328 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.402 -0.098 -4.587 1.00 0.00 C ATOM 1354 C LYS A 119 -10.157 -1.058 -5.512 1.00 0.00 C ATOM 1355 O LYS A 119 -9.901 -2.265 -5.513 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.302 0.317 -3.411 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.888 -0.859 -2.630 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.794 -0.386 -1.494 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.432 -1.553 -0.744 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.265 -2.405 -1.635 1.00 0.00 N ATOM 0 H LYS A 119 -9.268 1.970 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.523 -0.609 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.725 0.942 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.119 0.930 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.455 -1.499 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.079 -1.465 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.214 0.219 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.577 0.256 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.650 -2.161 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.049 -1.167 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.861 -3.032 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.870 -1.801 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.647 -2.978 -2.244 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.078 -0.508 -6.302 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.851 -1.302 -7.259 1.00 0.00 C ATOM 1376 C ASP A 120 -10.929 -1.938 -8.291 1.00 0.00 C ATOM 1377 O ASP A 120 -11.089 -3.111 -8.639 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.920 -0.451 -7.968 1.00 0.00 C ATOM 1379 CG ASP A 120 -14.126 -0.145 -7.091 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.704 -1.091 -6.515 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -14.524 1.037 -6.996 1.00 0.00 O ATOM 0 H ASP A 120 -11.308 0.486 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.359 -2.086 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.470 0.486 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.255 -0.973 -8.864 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.944 -1.172 -8.755 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.975 -1.662 -9.731 1.00 0.00 C ATOM 1388 C PHE A 121 -8.219 -2.871 -9.172 1.00 0.00 C ATOM 1389 O PHE A 121 -7.936 -3.833 -9.890 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.002 -0.522 -10.084 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.837 -0.918 -10.960 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.014 -1.160 -12.316 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.556 -1.028 -10.428 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -5.942 -1.503 -13.119 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.484 -1.374 -11.228 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.678 -1.611 -12.576 1.00 0.00 C ATOM 0 H PHE A 121 -9.796 -0.204 -8.468 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.494 -1.984 -10.634 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.561 0.268 -10.585 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.612 -0.099 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.000 -1.079 -12.748 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.398 -0.841 -9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.094 -1.687 -14.172 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.496 -1.459 -10.801 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.841 -1.880 -13.203 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.911 -2.809 -7.881 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.199 -3.887 -7.195 1.00 0.00 C ATOM 1408 C LEU A 122 -8.079 -5.135 -7.045 1.00 0.00 C ATOM 1409 O LEU A 122 -7.648 -6.248 -7.351 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.726 -3.407 -5.814 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.867 -2.130 -5.823 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.514 -1.699 -4.403 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.606 -2.326 -6.660 1.00 0.00 C ATOM 0 H LEU A 122 -8.145 -2.017 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.335 -4.158 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.601 -3.232 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.154 -4.207 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.455 -1.334 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.907 -0.794 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.429 -1.501 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.954 -2.494 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.017 -1.409 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.015 -3.142 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.884 -2.567 -7.686 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.318 -4.949 -6.582 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.220 -6.080 -6.331 1.00 0.00 C ATOM 1427 C VAL A 123 -10.738 -6.685 -7.639 1.00 0.00 C ATOM 1428 O VAL A 123 -11.199 -7.828 -7.665 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.418 -5.683 -5.431 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.930 -5.126 -4.094 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.334 -4.682 -6.136 1.00 0.00 C ATOM 0 H VAL A 123 -9.719 -4.034 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.630 -6.830 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.000 -6.583 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.787 -4.854 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.339 -5.883 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.315 -4.243 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.164 -4.423 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.770 -3.782 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.721 -5.126 -7.053 1.00 0.00 H new ATOM 1441 N SER A 124 -10.640 -5.918 -8.722 1.00 0.00 N ATOM 1442 CA SER A 124 -11.058 -6.375 -10.051 1.00 0.00 C ATOM 1443 C SER A 124 -10.091 -7.432 -10.614 1.00 0.00 C ATOM 1444 O SER A 124 -10.278 -7.929 -11.728 1.00 0.00 O ATOM 1445 CB SER A 124 -11.156 -5.178 -11.009 1.00 0.00 C ATOM 1446 OG SER A 124 -11.690 -5.557 -12.269 1.00 0.00 O ATOM 0 H SER A 124 -10.271 -4.967 -8.707 1.00 0.00 H new ATOM 0 HA SER A 124 -12.038 -6.841 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.785 -4.406 -10.564 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.167 -4.742 -11.149 1.00 0.00 H new ATOM 0 HG SER A 124 -11.391 -6.463 -12.492 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.068 -7.778 -9.836 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.013 -8.678 -10.298 1.00 0.00 C ATOM 1454 C GLN A 125 -8.448 -10.141 -10.306 1.00 0.00 C ATOM 1455 O GLN A 125 -9.410 -10.535 -9.644 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.749 -8.534 -9.443 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.857 -7.373 -9.857 1.00 0.00 C ATOM 1458 CD GLN A 125 -4.516 -7.399 -9.151 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.017 -8.459 -8.772 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -3.911 -6.239 -8.998 1.00 0.00 N ATOM 0 H GLN A 125 -8.947 -7.447 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.798 -8.384 -11.325 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.040 -8.403 -8.401 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.175 -9.459 -9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.699 -7.406 -10.935 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.363 -6.433 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.359 -5.383 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -2.995 -6.197 -8.551 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.673 -10.932 -11.040 1.00 0.00 N ATOM 1470 CA ASP A 126 -7.871 -12.380 -11.169 1.00 0.00 C ATOM 1471 C ASP A 126 -7.475 -13.114 -9.883 1.00 0.00 C ATOM 1472 O ASP A 126 -7.427 -14.344 -9.852 1.00 0.00 O ATOM 1473 CB ASP A 126 -7.043 -12.925 -12.348 1.00 0.00 C ATOM 1474 CG ASP A 126 -7.431 -12.305 -13.680 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -6.949 -11.193 -13.985 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -8.219 -12.923 -14.429 1.00 0.00 O ATOM 0 H ASP A 126 -6.876 -10.584 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 126 -8.931 -12.556 -11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.986 -12.738 -12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.170 -14.006 -12.405 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.201 -12.355 -8.821 1.00 0.00 N ATOM 1482 CA ARG A 127 -6.642 -12.907 -7.587 1.00 0.00 C ATOM 1483 C ARG A 127 -7.562 -12.628 -6.400 1.00 0.00 C ATOM 1484 O ARG A 127 -7.459 -13.282 -5.362 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.265 -12.290 -7.307 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.263 -12.461 -8.443 1.00 0.00 C ATOM 1487 CD ARG A 127 -2.913 -11.846 -8.098 1.00 0.00 C ATOM 1488 NE ARG A 127 -1.956 -11.990 -9.195 1.00 0.00 N ATOM 1489 CZ ARG A 127 -0.968 -12.883 -9.215 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -0.806 -13.733 -8.206 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -0.145 -12.937 -10.252 1.00 0.00 N ATOM 0 H ARG A 127 -7.359 -11.348 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.544 -13.985 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.390 -11.226 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.854 -12.741 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.135 -13.522 -8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.655 -11.996 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.043 -10.789 -7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -2.514 -12.323 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 127 -2.052 -11.366 -9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.441 -13.705 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.047 -14.414 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.268 -12.295 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.612 -13.621 -10.267 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.464 -11.657 -6.571 1.00 0.00 N ATOM 1506 CA CYS A 128 -9.297 -11.166 -5.475 1.00 0.00 C ATOM 1507 C CYS A 128 -8.413 -10.658 -4.333 1.00 0.00 C ATOM 1508 O CYS A 128 -8.282 -11.301 -3.287 1.00 0.00 O ATOM 1509 CB CYS A 128 -10.263 -12.258 -4.982 1.00 0.00 C ATOM 1510 SG CYS A 128 -11.364 -11.736 -3.645 1.00 0.00 S ATOM 0 H CYS A 128 -8.635 -11.195 -7.464 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.901 -10.337 -5.843 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.868 -12.597 -5.823 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -9.681 -13.115 -4.643 1.00 0.00 H new ATOM 0 HG CYS A 128 -12.135 -12.726 -3.306 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.773 -9.516 -4.568 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.851 -8.924 -3.602 1.00 0.00 C ATOM 1518 C ALA A 129 -7.608 -8.314 -2.425 1.00 0.00 C ATOM 1519 O ALA A 129 -8.559 -7.550 -2.616 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.983 -7.871 -4.283 1.00 0.00 C ATOM 0 H ALA A 129 -7.877 -8.977 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.208 -9.714 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.299 -7.436 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.410 -8.335 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.618 -7.088 -4.697 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.185 -8.658 -1.212 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.806 -8.134 0.000 1.00 0.00 C ATOM 1528 C GLU A 130 -7.265 -6.740 0.311 1.00 0.00 C ATOM 1529 O GLU A 130 -6.079 -6.574 0.611 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.563 -9.072 1.191 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.203 -10.447 1.035 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.089 -11.292 2.294 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -8.817 -11.010 3.271 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.280 -12.245 2.315 1.00 0.00 O ATOM 0 H GLU A 130 -6.411 -9.300 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.881 -8.068 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.489 -9.196 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.950 -8.603 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.255 -10.327 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.729 -10.972 0.206 1.00 0.00 H new ATOM 1541 N VAL A 131 -8.137 -5.742 0.225 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.761 -4.362 0.498 1.00 0.00 C ATOM 1543 C VAL A 131 -8.092 -3.993 1.944 1.00 0.00 C ATOM 1544 O VAL A 131 -9.216 -4.188 2.404 1.00 0.00 O ATOM 1545 CB VAL A 131 -8.475 -3.379 -0.465 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.081 -1.935 -0.162 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -8.166 -3.735 -1.918 1.00 0.00 C ATOM 0 H VAL A 131 -9.116 -5.866 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.686 -4.279 0.340 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.550 -3.471 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.595 -1.265 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.362 -1.688 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -7.004 -1.819 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.675 -3.035 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -7.091 -3.677 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.511 -4.748 -2.126 1.00 0.00 H new ATOM 1557 N THR A 132 -7.100 -3.460 2.648 1.00 0.00 N ATOM 1558 CA THR A 132 -7.253 -3.020 4.032 1.00 0.00 C ATOM 1559 C THR A 132 -6.637 -1.634 4.178 1.00 0.00 C ATOM 1560 O THR A 132 -5.639 -1.329 3.518 1.00 0.00 O ATOM 1561 CB THR A 132 -6.567 -4.004 5.010 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.211 -4.228 4.596 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.310 -5.335 5.073 1.00 0.00 C ATOM 0 H THR A 132 -6.162 -3.320 2.274 1.00 0.00 H new ATOM 0 HA THR A 132 -8.315 -2.989 4.277 1.00 0.00 H new ATOM 0 HB THR A 132 -6.583 -3.559 6.005 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.069 -3.832 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.802 -6.003 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.332 -5.166 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.328 -5.789 4.082 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.216 -0.786 5.019 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.757 0.594 5.138 1.00 0.00 C ATOM 1573 C LEU A 133 -5.903 0.780 6.390 1.00 0.00 C ATOM 1574 O LEU A 133 -5.836 -0.106 7.248 1.00 0.00 O ATOM 1575 CB LEU A 133 -7.959 1.547 5.161 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.920 1.413 3.965 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.031 2.453 4.043 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.165 1.525 2.641 1.00 0.00 C ATOM 0 H LEU A 133 -8.000 -1.027 5.626 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.138 0.827 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.521 1.377 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.590 2.572 5.198 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.376 0.424 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.697 2.339 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.596 2.313 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.595 3.452 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.867 1.427 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.671 2.495 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.418 0.733 2.580 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.247 1.935 6.473 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.379 2.274 7.597 1.00 0.00 C ATOM 1592 C GLU A 134 -5.126 2.159 8.924 1.00 0.00 C ATOM 1593 O GLU A 134 -5.879 3.060 9.305 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.830 3.695 7.430 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.927 4.144 8.574 1.00 0.00 C ATOM 1596 CD GLU A 134 -2.575 5.619 8.497 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -3.501 6.455 8.557 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -1.379 5.952 8.403 1.00 0.00 O ATOM 0 H GLU A 134 -5.303 2.663 5.761 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.550 1.566 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.272 3.751 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.666 4.390 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.422 3.942 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.010 3.555 8.561 1.00 0.00 H new ATOM 1605 N GLY A 135 -4.931 1.037 9.604 1.00 0.00 N ATOM 1606 CA GLY A 135 -5.533 0.828 10.905 1.00 0.00 C ATOM 1607 C GLY A 135 -6.994 0.434 10.814 1.00 0.00 C ATOM 1608 O GLY A 135 -7.377 -0.657 11.244 1.00 0.00 O ATOM 0 H GLY A 135 -4.360 0.260 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.983 0.050 11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.442 1.741 11.494 1.00 0.00 H new ATOM 1612 N GLN A 136 -7.809 1.314 10.245 1.00 0.00 N ATOM 1613 CA GLN A 136 -9.250 1.105 10.178 1.00 0.00 C ATOM 1614 C GLN A 136 -9.810 1.629 8.858 1.00 0.00 C ATOM 1615 O GLN A 136 -9.302 2.604 8.301 1.00 0.00 O ATOM 1616 CB GLN A 136 -9.930 1.822 11.354 1.00 0.00 C ATOM 1617 CG GLN A 136 -11.445 1.664 11.391 1.00 0.00 C ATOM 1618 CD GLN A 136 -12.084 2.480 12.499 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -12.470 3.631 12.297 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -12.189 1.893 13.679 1.00 0.00 N ATOM 0 H GLN A 136 -7.493 2.186 9.820 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.451 0.035 10.238 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.514 1.441 12.287 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -9.688 2.884 11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.863 1.969 10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.695 0.612 11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -11.857 0.937 13.804 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.603 2.396 14.464 1.00 0.00 H new ATOM 1629 N MET A 137 -10.848 0.969 8.355 1.00 0.00 N ATOM 1630 CA MET A 137 -11.571 1.451 7.186 1.00 0.00 C ATOM 1631 C MET A 137 -12.481 2.608 7.592 1.00 0.00 C ATOM 1632 O MET A 137 -13.470 2.403 8.293 1.00 0.00 O ATOM 1633 CB MET A 137 -12.399 0.325 6.542 1.00 0.00 C ATOM 1634 CG MET A 137 -11.565 -0.824 5.987 1.00 0.00 C ATOM 1635 SD MET A 137 -12.565 -2.073 5.147 1.00 0.00 S ATOM 1636 CE MET A 137 -13.304 -1.100 3.832 1.00 0.00 C ATOM 0 H MET A 137 -11.208 0.096 8.741 1.00 0.00 H new ATOM 0 HA MET A 137 -10.847 1.797 6.448 1.00 0.00 H new ATOM 0 HB2 MET A 137 -13.093 -0.070 7.284 1.00 0.00 H new ATOM 0 HB3 MET A 137 -12.999 0.746 5.736 1.00 0.00 H new ATOM 0 HG2 MET A 137 -10.827 -0.427 5.290 1.00 0.00 H new ATOM 0 HG3 MET A 137 -11.014 -1.294 6.802 1.00 0.00 H new ATOM 0 HE1 MET A 137 -13.632 -1.762 3.030 1.00 0.00 H new ATOM 0 HE2 MET A 137 -14.161 -0.551 4.223 1.00 0.00 H new ATOM 0 HE3 MET A 137 -12.568 -0.396 3.443 1.00 0.00 H new ATOM 1646 N TYR A 138 -12.143 3.820 7.145 1.00 0.00 N ATOM 1647 CA TYR A 138 -12.879 5.026 7.537 1.00 0.00 C ATOM 1648 C TYR A 138 -14.375 4.990 7.147 1.00 0.00 C ATOM 1649 O TYR A 138 -15.195 5.549 7.876 1.00 0.00 O ATOM 1650 CB TYR A 138 -12.189 6.303 7.010 1.00 0.00 C ATOM 1651 CG TYR A 138 -12.025 6.390 5.499 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -10.954 5.774 4.857 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -12.934 7.101 4.716 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -10.795 5.862 3.487 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -12.780 7.190 3.346 1.00 0.00 C ATOM 1656 CZ TYR A 138 -11.709 6.570 2.737 1.00 0.00 C ATOM 1657 OH TYR A 138 -11.551 6.656 1.372 1.00 0.00 O ATOM 0 H TYR A 138 -11.363 3.993 6.510 1.00 0.00 H new ATOM 0 HA TYR A 138 -12.855 5.050 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -12.762 7.168 7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -11.203 6.377 7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -10.235 5.218 5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -13.773 7.590 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.958 5.378 3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.495 7.743 2.755 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.545 5.755 0.986 1.00 0.00 H new ATOM 1667 N PRO A 139 -14.781 4.354 6.010 1.00 0.00 N ATOM 1668 CA PRO A 139 -16.212 4.205 5.687 1.00 0.00 C ATOM 1669 C PRO A 139 -16.933 3.302 6.682 1.00 0.00 C ATOM 1670 O PRO A 139 -18.152 3.395 6.855 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.217 3.551 4.302 1.00 0.00 C ATOM 1672 CG PRO A 139 -14.885 2.896 4.188 1.00 0.00 C ATOM 1673 CD PRO A 139 -13.932 3.778 4.945 1.00 0.00 C ATOM 0 HA PRO A 139 -16.729 5.164 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -17.025 2.825 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -16.363 4.291 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.906 1.891 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -14.584 2.799 3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -13.098 3.210 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -13.506 4.552 4.307 1.00 0.00 H new ATOM 1681 N GLY A 140 -16.178 2.419 7.325 1.00 0.00 N ATOM 1682 CA GLY A 140 -16.764 1.469 8.244 1.00 0.00 C ATOM 1683 C GLY A 140 -17.326 0.251 7.535 1.00 0.00 C ATOM 1684 O GLY A 140 -16.811 -0.861 7.683 1.00 0.00 O ATOM 0 H GLY A 140 -15.166 2.346 7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -16.010 1.151 8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -17.559 1.956 8.809 1.00 0.00 H new ATOM 1688 N LYS A 141 -18.372 0.471 6.742 1.00 0.00 N ATOM 1689 CA LYS A 141 -19.086 -0.613 6.067 1.00 0.00 C ATOM 1690 C LYS A 141 -19.390 -0.238 4.617 1.00 0.00 C ATOM 1691 O LYS A 141 -18.801 0.702 4.074 1.00 0.00 O ATOM 1692 CB LYS A 141 -20.386 -0.922 6.825 1.00 0.00 C ATOM 1693 CG LYS A 141 -21.207 -2.069 6.242 1.00 0.00 C ATOM 1694 CD LYS A 141 -22.450 -2.348 7.089 1.00 0.00 C ATOM 1695 CE LYS A 141 -23.280 -3.499 6.536 1.00 0.00 C ATOM 1696 NZ LYS A 141 -24.449 -3.806 7.407 1.00 0.00 N ATOM 0 H LYS A 141 -18.748 1.399 6.549 1.00 0.00 H new ATOM 0 HA LYS A 141 -18.455 -1.502 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -20.140 -1.159 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -21.003 -0.024 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -21.506 -1.824 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -20.593 -2.968 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -22.147 -2.580 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -23.065 -1.449 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -23.629 -3.247 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -22.654 -4.386 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -24.989 -4.595 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -24.115 -4.071 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -25.060 -2.967 7.477 1.00 0.00 H new TER 1710 LYS A 141