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 133:sc= 0.348 USER MOD Set 1.2: A 81 THR OG1 : rot 77:sc= 1.22 USER MOD Set 2.1: A 71 ASN : amide:sc= -1.15 K(o=-0.51,f=0.51) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.633 USER MOD Set 3.1: A 63 MET CE :methyl 171:sc= -1.94! (180deg=-2.16) USER MOD Set 3.2: A 108 MET CE :methyl -106:sc= -3.44 (180deg=-7.66!) USER MOD Set 4.1: A 6 TYR OH : rot 65:sc= 0.91 USER MOD Set 4.2: A 11 MET CE :methyl 147:sc= -1.43 (180deg=-3.35!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.45) USER MOD Single : A 17 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.47) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -5.66! (180deg=-6.78!) USER MOD Single : A 64 MET CE :methyl 171:sc= -5! (180deg=-5.23!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -141:sc= 0.853 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0404) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 71:sc= 0.89 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -93:sc= 0.985 USER MOD Single : A 96 GLN : amide:sc= -1.01 K(o=-1,f=-5.6!) USER MOD Single : A 102 SER OG : rot 162:sc= -0.139 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 10:sc= -1.03 USER MOD Single : A 119 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0636) USER MOD Single : A 124 SER OG : rot 44:sc= 1.31 USER MOD Single : A 125 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3.5!) USER MOD Single : A 128 CYS SG : rot 47:sc= 0.0072 USER MOD Single : A 132 THR OG1 : rot -57:sc= -0.947! USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl -110:sc= -0.758 (180deg=-4.34!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.396 -21.654 10.227 1.00 0.00 N ATOM 2 CA GLY A 1 3.417 -20.633 9.887 1.00 0.00 C ATOM 3 C GLY A 1 2.881 -19.587 8.931 1.00 0.00 C ATOM 4 O GLY A 1 2.230 -19.925 7.941 1.00 0.00 O ATOM 0 H1 GLY A 1 2.805 -22.349 10.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.580 -21.192 10.677 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.086 -22.137 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.761 -20.147 10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.283 -21.122 9.441 1.00 0.00 H new ATOM 10 N ASP A 2 3.138 -18.317 9.234 1.00 0.00 N ATOM 11 CA ASP A 2 2.727 -17.207 8.372 1.00 0.00 C ATOM 12 C ASP A 2 3.917 -16.308 8.059 1.00 0.00 C ATOM 13 O ASP A 2 5.052 -16.612 8.434 1.00 0.00 O ATOM 14 CB ASP A 2 1.611 -16.377 9.033 1.00 0.00 C ATOM 15 CG ASP A 2 0.276 -17.102 9.076 1.00 0.00 C ATOM 16 OD1 ASP A 2 -0.477 -17.033 8.080 1.00 0.00 O ATOM 17 OD2 ASP A 2 -0.031 -17.734 10.104 1.00 0.00 O ATOM 0 H ASP A 2 3.633 -18.027 10.077 1.00 0.00 H new ATOM 0 HA ASP A 2 2.342 -17.630 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.911 -16.119 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.492 -15.440 8.489 1.00 0.00 H new ATOM 22 N ILE A 3 3.647 -15.204 7.371 1.00 0.00 N ATOM 23 CA ILE A 3 4.669 -14.214 7.036 1.00 0.00 C ATOM 24 C ILE A 3 4.470 -12.961 7.903 1.00 0.00 C ATOM 25 O ILE A 3 4.917 -11.859 7.571 1.00 0.00 O ATOM 26 CB ILE A 3 4.606 -13.859 5.521 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.840 -13.041 5.091 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.310 -13.114 5.193 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.878 -12.713 3.611 1.00 0.00 C ATOM 0 H ILE A 3 2.715 -14.969 7.029 1.00 0.00 H new ATOM 0 HA ILE A 3 5.656 -14.630 7.240 1.00 0.00 H new ATOM 0 HB ILE A 3 4.613 -14.791 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.863 -12.111 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.741 -13.597 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.287 -12.876 4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.456 -13.743 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.264 -12.192 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.776 -12.136 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.888 -13.637 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.997 -12.129 3.345 1.00 0.00 H new ATOM 41 N ARG A 4 3.816 -13.158 9.049 1.00 0.00 N ATOM 42 CA ARG A 4 3.446 -12.053 9.932 1.00 0.00 C ATOM 43 C ARG A 4 4.665 -11.359 10.540 1.00 0.00 C ATOM 44 O ARG A 4 4.549 -10.240 11.035 1.00 0.00 O ATOM 45 CB ARG A 4 2.485 -12.530 11.029 1.00 0.00 C ATOM 46 CG ARG A 4 1.076 -12.797 10.512 1.00 0.00 C ATOM 47 CD ARG A 4 0.107 -13.135 11.637 1.00 0.00 C ATOM 48 NE ARG A 4 -1.279 -13.187 11.165 1.00 0.00 N ATOM 49 CZ ARG A 4 -2.280 -13.748 11.846 1.00 0.00 C ATOM 50 NH1 ARG A 4 -2.049 -14.317 13.023 1.00 0.00 N ATOM 51 NH2 ARG A 4 -3.510 -13.735 11.351 1.00 0.00 N ATOM 0 H ARG A 4 3.531 -14.077 9.388 1.00 0.00 H new ATOM 0 HA ARG A 4 2.934 -11.313 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.880 -13.441 11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.440 -11.778 11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.715 -11.920 9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.102 -13.620 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.378 -14.096 12.074 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.194 -12.390 12.428 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.492 -12.768 10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.105 -14.326 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.816 -14.745 13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.692 -13.296 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.274 -14.164 11.873 1.00 0.00 H new ATOM 65 N ASP A 5 5.828 -12.009 10.498 1.00 0.00 N ATOM 66 CA ASP A 5 7.074 -11.344 10.887 1.00 0.00 C ATOM 67 C ASP A 5 7.264 -10.103 10.025 1.00 0.00 C ATOM 68 O ASP A 5 7.562 -9.017 10.529 1.00 0.00 O ATOM 69 CB ASP A 5 8.290 -12.279 10.748 1.00 0.00 C ATOM 70 CG ASP A 5 8.432 -13.239 11.922 1.00 0.00 C ATOM 71 OD1 ASP A 5 7.828 -14.333 11.887 1.00 0.00 O ATOM 72 OD2 ASP A 5 9.155 -12.904 12.884 1.00 0.00 O ATOM 0 H ASP A 5 5.935 -12.980 10.204 1.00 0.00 H new ATOM 0 HA ASP A 5 7.001 -11.063 11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.199 -12.852 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.196 -11.679 10.663 1.00 0.00 H new ATOM 77 N TYR A 6 7.059 -10.278 8.719 1.00 0.00 N ATOM 78 CA TYR A 6 7.090 -9.169 7.774 1.00 0.00 C ATOM 79 C TYR A 6 5.982 -8.173 8.101 1.00 0.00 C ATOM 80 O TYR A 6 6.225 -6.973 8.166 1.00 0.00 O ATOM 81 CB TYR A 6 6.958 -9.681 6.320 1.00 0.00 C ATOM 82 CG TYR A 6 6.171 -8.754 5.401 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.689 -7.529 4.990 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.894 -9.097 4.973 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.956 -6.680 4.183 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.154 -8.251 4.171 1.00 0.00 C ATOM 87 CZ TYR A 6 4.689 -7.046 3.777 1.00 0.00 C ATOM 88 OH TYR A 6 3.953 -6.201 2.981 1.00 0.00 O ATOM 0 H TYR A 6 6.869 -11.185 8.293 1.00 0.00 H new ATOM 0 HA TYR A 6 8.051 -8.663 7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.956 -9.825 5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.475 -10.658 6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.679 -7.238 5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.472 -10.044 5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.373 -5.734 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.161 -8.533 3.855 1.00 0.00 H new ATOM 0 HH TYR A 6 4.394 -6.105 2.111 1.00 0.00 H new ATOM 98 N ASN A 7 4.770 -8.683 8.325 1.00 0.00 N ATOM 99 CA ASN A 7 3.621 -7.820 8.614 1.00 0.00 C ATOM 100 C ASN A 7 3.943 -6.899 9.785 1.00 0.00 C ATOM 101 O ASN A 7 4.100 -5.690 9.610 1.00 0.00 O ATOM 102 CB ASN A 7 2.358 -8.647 8.929 1.00 0.00 C ATOM 103 CG ASN A 7 1.735 -9.323 7.711 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.517 -9.498 7.646 1.00 0.00 O ATOM 105 ND2 ASN A 7 2.554 -9.724 6.749 1.00 0.00 N ATOM 0 H ASN A 7 4.558 -9.681 8.312 1.00 0.00 H new ATOM 0 HA ASN A 7 3.419 -7.223 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.611 -9.410 9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.615 -7.995 9.389 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.180 -10.193 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.558 -9.564 6.834 1.00 0.00 H new ATOM 112 N ASP A 8 4.079 -7.491 10.965 1.00 0.00 N ATOM 113 CA ASP A 8 4.387 -6.752 12.186 1.00 0.00 C ATOM 114 C ASP A 8 5.583 -5.822 11.984 1.00 0.00 C ATOM 115 O ASP A 8 5.441 -4.592 12.025 1.00 0.00 O ATOM 116 CB ASP A 8 4.678 -7.736 13.329 1.00 0.00 C ATOM 117 CG ASP A 8 5.120 -7.047 14.612 1.00 0.00 C ATOM 118 OD1 ASP A 8 4.253 -6.713 15.445 1.00 0.00 O ATOM 119 OD2 ASP A 8 6.343 -6.862 14.804 1.00 0.00 O ATOM 0 H ASP A 8 3.979 -8.497 11.104 1.00 0.00 H new ATOM 0 HA ASP A 8 3.522 -6.140 12.441 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.783 -8.325 13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.454 -8.433 13.012 1.00 0.00 H new ATOM 124 N ALA A 9 6.748 -6.420 11.730 1.00 0.00 N ATOM 125 CA ALA A 9 7.998 -5.674 11.666 1.00 0.00 C ATOM 126 C ALA A 9 7.930 -4.570 10.618 1.00 0.00 C ATOM 127 O ALA A 9 8.004 -3.385 10.950 1.00 0.00 O ATOM 128 CB ALA A 9 9.171 -6.609 11.382 1.00 0.00 C ATOM 0 H ALA A 9 6.848 -7.422 11.565 1.00 0.00 H new ATOM 0 HA ALA A 9 8.155 -5.206 12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.094 -6.031 11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.245 -7.352 12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.012 -7.112 10.428 1.00 0.00 H new ATOM 134 N ASP A 10 7.752 -4.960 9.364 1.00 0.00 N ATOM 135 CA ASP A 10 7.783 -4.010 8.259 1.00 0.00 C ATOM 136 C ASP A 10 6.635 -3.012 8.378 1.00 0.00 C ATOM 137 O ASP A 10 6.864 -1.826 8.610 1.00 0.00 O ATOM 138 CB ASP A 10 7.719 -4.740 6.910 1.00 0.00 C ATOM 139 CG ASP A 10 7.978 -3.820 5.727 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.011 -3.229 5.204 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.154 -3.695 5.318 1.00 0.00 O ATOM 0 H ASP A 10 7.585 -5.927 9.085 1.00 0.00 H new ATOM 0 HA ASP A 10 8.725 -3.463 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.452 -5.547 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.737 -5.200 6.798 1.00 0.00 H new ATOM 146 N MET A 11 5.398 -3.506 8.299 1.00 0.00 N ATOM 147 CA MET A 11 4.231 -2.625 8.245 1.00 0.00 C ATOM 148 C MET A 11 4.225 -1.657 9.428 1.00 0.00 C ATOM 149 O MET A 11 4.220 -0.436 9.246 1.00 0.00 O ATOM 150 CB MET A 11 2.923 -3.436 8.226 1.00 0.00 C ATOM 151 CG MET A 11 2.777 -4.406 7.049 1.00 0.00 C ATOM 152 SD MET A 11 2.311 -3.604 5.494 1.00 0.00 S ATOM 153 CE MET A 11 3.879 -2.946 4.926 1.00 0.00 C ATOM 0 H MET A 11 5.180 -4.502 8.271 1.00 0.00 H new ATOM 0 HA MET A 11 4.296 -2.051 7.321 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.851 -4.002 9.155 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.083 -2.741 8.211 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.720 -4.934 6.906 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.027 -5.156 7.299 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.909 -2.966 3.837 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.990 -1.919 5.273 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.693 -3.552 5.323 1.00 0.00 H new ATOM 163 N ALA A 12 4.278 -2.196 10.644 1.00 0.00 N ATOM 164 CA ALA A 12 4.137 -1.370 11.835 1.00 0.00 C ATOM 165 C ALA A 12 5.387 -0.528 12.077 1.00 0.00 C ATOM 166 O ALA A 12 5.312 0.701 12.168 1.00 0.00 O ATOM 167 CB ALA A 12 3.829 -2.236 13.054 1.00 0.00 C ATOM 0 H ALA A 12 4.416 -3.190 10.827 1.00 0.00 H new ATOM 0 HA ALA A 12 3.302 -0.688 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.727 -1.602 13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.899 -2.779 12.889 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.641 -2.946 13.210 1.00 0.00 H new ATOM 173 N ARG A 13 6.540 -1.188 12.130 1.00 0.00 N ATOM 174 CA ARG A 13 7.762 -0.547 12.610 1.00 0.00 C ATOM 175 C ARG A 13 8.409 0.321 11.529 1.00 0.00 C ATOM 176 O ARG A 13 9.370 1.044 11.805 1.00 0.00 O ATOM 177 CB ARG A 13 8.735 -1.613 13.138 1.00 0.00 C ATOM 178 CG ARG A 13 8.072 -2.587 14.114 1.00 0.00 C ATOM 179 CD ARG A 13 9.032 -3.657 14.627 1.00 0.00 C ATOM 180 NE ARG A 13 8.308 -4.752 15.285 1.00 0.00 N ATOM 181 CZ ARG A 13 8.671 -5.327 16.433 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.747 -4.909 17.090 1.00 0.00 N ATOM 183 NH2 ARG A 13 7.939 -6.315 16.925 1.00 0.00 N ATOM 0 H ARG A 13 6.655 -2.162 11.848 1.00 0.00 H new ATOM 0 HA ARG A 13 7.502 0.123 13.430 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.147 -2.172 12.297 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.572 -1.121 13.634 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.671 -2.029 14.960 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.228 -3.069 13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.617 -4.052 13.796 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.736 -3.210 15.329 1.00 0.00 H new ATOM 0 HE ARG A 13 7.464 -5.099 14.830 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.305 -4.141 16.718 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.015 -5.356 17.967 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.106 -6.630 16.427 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.208 -6.761 17.802 1.00 0.00 H new ATOM 197 N LEU A 14 7.894 0.242 10.298 1.00 0.00 N ATOM 198 CA LEU A 14 8.312 1.153 9.233 1.00 0.00 C ATOM 199 C LEU A 14 7.302 2.289 9.071 1.00 0.00 C ATOM 200 O LEU A 14 7.673 3.463 9.133 1.00 0.00 O ATOM 201 CB LEU A 14 8.481 0.407 7.901 1.00 0.00 C ATOM 202 CG LEU A 14 8.788 1.293 6.680 1.00 0.00 C ATOM 203 CD1 LEU A 14 10.076 2.085 6.888 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.867 0.452 5.405 1.00 0.00 C ATOM 0 H LEU A 14 7.190 -0.441 10.017 1.00 0.00 H new ATOM 0 HA LEU A 14 9.277 1.574 9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.285 -0.321 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.568 -0.154 7.701 1.00 0.00 H new ATOM 0 HG LEU A 14 7.971 2.005 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.269 2.702 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.973 2.723 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.907 1.396 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.085 1.099 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.658 -0.291 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.915 -0.052 5.242 1.00 0.00 H new ATOM 216 N LEU A 15 6.021 1.945 8.902 1.00 0.00 N ATOM 217 CA LEU A 15 4.992 2.955 8.638 1.00 0.00 C ATOM 218 C LEU A 15 4.709 3.798 9.879 1.00 0.00 C ATOM 219 O LEU A 15 4.033 4.828 9.798 1.00 0.00 O ATOM 220 CB LEU A 15 3.698 2.310 8.111 1.00 0.00 C ATOM 221 CG LEU A 15 3.744 1.842 6.642 1.00 0.00 C ATOM 222 CD1 LEU A 15 4.047 3.016 5.713 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.762 0.716 6.446 1.00 0.00 C ATOM 0 H LEU A 15 5.675 0.986 8.943 1.00 0.00 H new ATOM 0 HA LEU A 15 5.378 3.617 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.456 1.453 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.884 3.026 8.221 1.00 0.00 H new ATOM 0 HG LEU A 15 2.761 1.445 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.075 2.666 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.270 3.773 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.012 3.448 5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.769 0.410 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.754 1.069 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.489 -0.134 7.071 1.00 0.00 H new ATOM 235 N GLU A 16 5.230 3.358 11.025 1.00 0.00 N ATOM 236 CA GLU A 16 5.193 4.156 12.248 1.00 0.00 C ATOM 237 C GLU A 16 5.671 5.581 11.963 1.00 0.00 C ATOM 238 O GLU A 16 5.015 6.558 12.344 1.00 0.00 O ATOM 239 CB GLU A 16 6.078 3.490 13.325 1.00 0.00 C ATOM 240 CG GLU A 16 6.148 4.226 14.668 1.00 0.00 C ATOM 241 CD GLU A 16 6.939 5.531 14.615 1.00 0.00 C ATOM 242 OE1 GLU A 16 8.030 5.556 14.002 1.00 0.00 O ATOM 243 OE2 GLU A 16 6.462 6.549 15.159 1.00 0.00 O ATOM 0 H GLU A 16 5.684 2.450 11.130 1.00 0.00 H new ATOM 0 HA GLU A 16 4.168 4.208 12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.707 2.481 13.502 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.089 3.393 12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.135 4.440 15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.601 3.568 15.409 1.00 0.00 H new ATOM 250 N GLN A 17 6.816 5.692 11.284 1.00 0.00 N ATOM 251 CA GLN A 17 7.432 6.992 11.027 1.00 0.00 C ATOM 252 C GLN A 17 6.463 7.900 10.281 1.00 0.00 C ATOM 253 O GLN A 17 6.374 9.091 10.570 1.00 0.00 O ATOM 254 CB GLN A 17 8.746 6.835 10.241 1.00 0.00 C ATOM 255 CG GLN A 17 8.567 6.391 8.792 1.00 0.00 C ATOM 256 CD GLN A 17 9.888 6.207 8.065 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.426 7.145 7.480 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.422 4.996 8.102 1.00 0.00 N ATOM 0 H GLN A 17 7.332 4.898 10.904 1.00 0.00 H new ATOM 0 HA GLN A 17 7.669 7.452 11.986 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.278 7.786 10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.378 6.110 10.755 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.012 5.453 8.770 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.966 7.130 8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.945 4.243 8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.310 4.816 7.635 1.00 0.00 H new ATOM 267 N TRP A 18 5.710 7.309 9.358 1.00 0.00 N ATOM 268 CA TRP A 18 4.741 8.043 8.553 1.00 0.00 C ATOM 269 C TRP A 18 3.622 8.608 9.426 1.00 0.00 C ATOM 270 O TRP A 18 3.158 9.736 9.210 1.00 0.00 O ATOM 271 CB TRP A 18 4.171 7.137 7.457 1.00 0.00 C ATOM 272 CG TRP A 18 5.146 6.865 6.347 1.00 0.00 C ATOM 273 CD1 TRP A 18 6.128 5.911 6.310 1.00 0.00 C ATOM 274 CD2 TRP A 18 5.225 7.568 5.102 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.807 5.985 5.115 1.00 0.00 N ATOM 276 CE2 TRP A 18 6.269 6.990 4.362 1.00 0.00 C ATOM 277 CE3 TRP A 18 4.512 8.631 4.542 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.615 7.435 3.092 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.855 9.072 3.281 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.899 8.473 2.569 1.00 0.00 C ATOM 0 H TRP A 18 5.754 6.312 9.148 1.00 0.00 H new ATOM 0 HA TRP A 18 5.251 8.883 8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.863 6.190 7.901 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.276 7.600 7.041 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.338 5.206 7.101 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.585 5.387 4.837 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.706 9.099 5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.421 6.976 2.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.310 9.892 2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.144 8.840 1.583 1.00 0.00 H new ATOM 291 N GLU A 19 3.189 7.825 10.415 1.00 0.00 N ATOM 292 CA GLU A 19 2.217 8.311 11.388 1.00 0.00 C ATOM 293 C GLU A 19 2.797 9.520 12.107 1.00 0.00 C ATOM 294 O GLU A 19 2.148 10.558 12.232 1.00 0.00 O ATOM 295 CB GLU A 19 1.860 7.233 12.420 1.00 0.00 C ATOM 296 CG GLU A 19 1.204 5.986 11.838 1.00 0.00 C ATOM 297 CD GLU A 19 0.634 5.082 12.924 1.00 0.00 C ATOM 298 OE1 GLU A 19 1.418 4.415 13.633 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.604 5.047 13.087 1.00 0.00 O ATOM 0 H GLU A 19 3.493 6.862 10.561 1.00 0.00 H new ATOM 0 HA GLU A 19 1.306 8.581 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.768 6.938 12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.189 7.667 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.407 6.281 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.936 5.431 11.252 1.00 0.00 H new ATOM 306 N LYS A 20 4.044 9.374 12.548 1.00 0.00 N ATOM 307 CA LYS A 20 4.739 10.434 13.266 1.00 0.00 C ATOM 308 C LYS A 20 4.930 11.667 12.383 1.00 0.00 C ATOM 309 O LYS A 20 4.898 12.785 12.878 1.00 0.00 O ATOM 310 CB LYS A 20 6.085 9.920 13.798 1.00 0.00 C ATOM 311 CG LYS A 20 6.979 11.004 14.397 1.00 0.00 C ATOM 312 CD LYS A 20 8.135 10.435 15.229 1.00 0.00 C ATOM 313 CE LYS A 20 9.002 9.434 14.461 1.00 0.00 C ATOM 314 NZ LYS A 20 8.324 8.123 14.272 1.00 0.00 N ATOM 0 H LYS A 20 4.595 8.525 12.418 1.00 0.00 H new ATOM 0 HA LYS A 20 4.124 10.734 14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.896 9.161 14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.621 9.431 12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.385 11.618 13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.375 11.660 15.025 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.762 11.256 15.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.729 9.948 16.116 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.258 9.851 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.938 9.282 14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.032 7.395 14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.823 7.862 15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.642 8.194 13.490 1.00 0.00 H new ATOM 328 N ASP A 21 5.118 11.461 11.078 1.00 0.00 N ATOM 329 CA ASP A 21 5.234 12.580 10.138 1.00 0.00 C ATOM 330 C ASP A 21 3.931 13.367 10.104 1.00 0.00 C ATOM 331 O ASP A 21 3.929 14.594 10.217 1.00 0.00 O ATOM 332 CB ASP A 21 5.590 12.093 8.723 1.00 0.00 C ATOM 333 CG ASP A 21 7.017 11.574 8.614 1.00 0.00 C ATOM 334 OD1 ASP A 21 7.956 12.304 9.016 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.210 10.448 8.115 1.00 0.00 O ATOM 0 H ASP A 21 5.193 10.538 10.650 1.00 0.00 H new ATOM 0 HA ASP A 21 6.041 13.226 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.898 11.302 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.452 12.912 8.017 1.00 0.00 H new ATOM 340 N ASP A 22 2.821 12.643 9.966 1.00 0.00 N ATOM 341 CA ASP A 22 1.487 13.245 10.015 1.00 0.00 C ATOM 342 C ASP A 22 1.307 13.997 11.344 1.00 0.00 C ATOM 343 O ASP A 22 0.728 15.089 11.388 1.00 0.00 O ATOM 344 CB ASP A 22 0.418 12.150 9.835 1.00 0.00 C ATOM 345 CG ASP A 22 -1.017 12.654 9.952 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.539 12.758 11.085 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.645 12.909 8.905 1.00 0.00 O ATOM 0 H ASP A 22 2.819 11.634 9.819 1.00 0.00 H new ATOM 0 HA ASP A 22 1.373 13.964 9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.550 11.686 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.581 11.373 10.582 1.00 0.00 H new ATOM 352 N ASP A 23 1.854 13.417 12.417 1.00 0.00 N ATOM 353 CA ASP A 23 1.816 14.034 13.749 1.00 0.00 C ATOM 354 C ASP A 23 2.687 15.294 13.807 1.00 0.00 C ATOM 355 O ASP A 23 2.307 16.295 14.418 1.00 0.00 O ATOM 356 CB ASP A 23 2.281 13.045 14.832 1.00 0.00 C ATOM 357 CG ASP A 23 1.328 11.878 15.049 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.100 12.104 15.108 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.807 10.732 15.219 1.00 0.00 O ATOM 0 H ASP A 23 2.331 12.516 12.389 1.00 0.00 H new ATOM 0 HA ASP A 23 0.780 14.313 13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.261 12.655 14.558 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.403 13.582 15.773 1.00 0.00 H new ATOM 364 N ILE A 24 3.857 15.242 13.175 1.00 0.00 N ATOM 365 CA ILE A 24 4.765 16.390 13.141 1.00 0.00 C ATOM 366 C ILE A 24 4.094 17.553 12.422 1.00 0.00 C ATOM 367 O ILE A 24 4.227 18.716 12.817 1.00 0.00 O ATOM 368 CB ILE A 24 6.112 16.045 12.441 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.895 15.007 13.267 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.956 17.303 12.225 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.187 14.548 12.619 1.00 0.00 C ATOM 0 H ILE A 24 4.200 14.419 12.679 1.00 0.00 H new ATOM 0 HA ILE A 24 4.989 16.668 14.171 1.00 0.00 H new ATOM 0 HB ILE A 24 5.887 15.617 11.464 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.122 15.433 14.244 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.258 14.139 13.438 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.891 17.034 11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.407 18.006 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.172 17.766 13.188 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.678 13.819 13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.968 14.091 11.654 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.845 15.404 12.473 1.00 0.00 H new ATOM 383 N GLU A 25 3.355 17.222 11.371 1.00 0.00 N ATOM 384 CA GLU A 25 2.576 18.204 10.634 1.00 0.00 C ATOM 385 C GLU A 25 1.387 18.670 11.470 1.00 0.00 C ATOM 386 O GLU A 25 0.911 19.797 11.319 1.00 0.00 O ATOM 387 CB GLU A 25 2.103 17.605 9.312 1.00 0.00 C ATOM 388 CG GLU A 25 3.242 17.183 8.397 1.00 0.00 C ATOM 389 CD GLU A 25 4.145 18.347 8.022 1.00 0.00 C ATOM 390 OE1 GLU A 25 3.648 19.314 7.408 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.350 18.308 8.345 1.00 0.00 O ATOM 0 H GLU A 25 3.280 16.272 11.009 1.00 0.00 H new ATOM 0 HA GLU A 25 3.204 19.069 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.473 16.740 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.481 18.335 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.834 16.412 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.831 16.739 7.491 1.00 0.00 H new ATOM 398 N GLU A 26 0.908 17.789 12.348 1.00 0.00 N ATOM 399 CA GLU A 26 -0.115 18.152 13.334 1.00 0.00 C ATOM 400 C GLU A 26 0.440 19.202 14.310 1.00 0.00 C ATOM 401 O GLU A 26 -0.307 19.822 15.071 1.00 0.00 O ATOM 402 CB GLU A 26 -0.600 16.904 14.094 1.00 0.00 C ATOM 403 CG GLU A 26 -1.789 17.151 15.017 1.00 0.00 C ATOM 404 CD GLU A 26 -3.043 17.573 14.266 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.779 16.684 13.780 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.302 18.792 14.158 1.00 0.00 O ATOM 0 H GLU A 26 1.211 16.816 12.398 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.969 18.583 12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.871 16.135 13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.227 16.509 14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.998 16.243 15.583 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.527 17.924 15.740 1.00 0.00 H new ATOM 413 N GLY A 27 1.757 19.402 14.265 1.00 0.00 N ATOM 414 CA GLY A 27 2.393 20.459 15.034 1.00 0.00 C ATOM 415 C GLY A 27 2.853 20.019 16.409 1.00 0.00 C ATOM 416 O GLY A 27 3.037 20.854 17.295 1.00 0.00 O ATOM 0 H GLY A 27 2.400 18.844 13.703 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.251 20.836 14.477 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.694 21.288 15.142 1.00 0.00 H new ATOM 420 N ASP A 28 3.051 18.716 16.597 1.00 0.00 N ATOM 421 CA ASP A 28 3.550 18.193 17.874 1.00 0.00 C ATOM 422 C ASP A 28 4.322 16.894 17.681 1.00 0.00 C ATOM 423 O ASP A 28 4.092 16.152 16.727 1.00 0.00 O ATOM 424 CB ASP A 28 2.403 17.973 18.880 1.00 0.00 C ATOM 425 CG ASP A 28 2.158 19.181 19.772 1.00 0.00 C ATOM 426 OD1 ASP A 28 2.987 19.435 20.677 1.00 0.00 O ATOM 427 OD2 ASP A 28 1.145 19.886 19.575 1.00 0.00 O ATOM 0 H ASP A 28 2.876 18.004 15.888 1.00 0.00 H new ATOM 0 HA ASP A 28 4.229 18.944 18.279 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.489 17.739 18.335 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.633 17.109 19.503 1.00 0.00 H new ATOM 432 N LEU A 29 5.249 16.642 18.601 1.00 0.00 N ATOM 433 CA LEU A 29 6.010 15.398 18.629 1.00 0.00 C ATOM 434 C LEU A 29 5.392 14.455 19.660 1.00 0.00 C ATOM 435 O LEU A 29 5.556 14.656 20.864 1.00 0.00 O ATOM 436 CB LEU A 29 7.490 15.660 18.975 1.00 0.00 C ATOM 437 CG LEU A 29 8.341 16.322 17.870 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.346 15.471 16.604 1.00 0.00 C ATOM 439 CD2 LEU A 29 7.856 17.738 17.568 1.00 0.00 C ATOM 0 H LEU A 29 5.493 17.294 19.347 1.00 0.00 H new ATOM 0 HA LEU A 29 5.973 14.942 17.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.528 16.293 19.862 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.953 14.710 19.241 1.00 0.00 H new ATOM 0 HG LEU A 29 9.364 16.392 18.239 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.952 15.958 15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.764 14.489 16.827 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.325 15.356 16.239 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.476 18.176 16.786 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.819 17.704 17.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.926 18.347 18.470 1.00 0.00 H new ATOM 451 N LEU A 62 -6.089 7.913 3.809 1.00 0.00 N ATOM 452 CA LEU A 62 -6.177 6.531 3.340 1.00 0.00 C ATOM 453 C LEU A 62 -4.806 5.951 2.962 1.00 0.00 C ATOM 454 O LEU A 62 -4.054 6.536 2.176 1.00 0.00 O ATOM 455 CB LEU A 62 -7.139 6.447 2.134 1.00 0.00 C ATOM 456 CG LEU A 62 -8.102 5.242 2.122 1.00 0.00 C ATOM 457 CD1 LEU A 62 -7.341 3.923 2.197 1.00 0.00 C ATOM 458 CD2 LEU A 62 -9.115 5.348 3.260 1.00 0.00 C ATOM 0 HA LEU A 62 -6.563 5.931 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.732 7.361 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.544 6.421 1.221 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.644 5.259 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.048 3.094 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.672 3.840 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.758 3.891 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.784 4.488 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.589 5.368 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.696 6.263 3.146 1.00 0.00 H new ATOM 470 N MET A 63 -4.499 4.796 3.548 1.00 0.00 N ATOM 471 CA MET A 63 -3.381 3.951 3.120 1.00 0.00 C ATOM 472 C MET A 63 -3.926 2.551 2.872 1.00 0.00 C ATOM 473 O MET A 63 -4.881 2.136 3.535 1.00 0.00 O ATOM 474 CB MET A 63 -2.275 3.883 4.185 1.00 0.00 C ATOM 475 CG MET A 63 -1.715 5.237 4.604 1.00 0.00 C ATOM 476 SD MET A 63 -0.738 5.151 6.123 1.00 0.00 S ATOM 477 CE MET A 63 0.283 3.710 5.815 1.00 0.00 C ATOM 0 H MET A 63 -5.020 4.416 4.338 1.00 0.00 H new ATOM 0 HA MET A 63 -2.941 4.376 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.669 3.378 5.067 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.459 3.269 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.094 5.633 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.538 5.937 4.746 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.043 3.630 6.592 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.339 2.815 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.767 3.808 4.843 1.00 0.00 H new ATOM 487 N MET A 64 -3.337 1.822 1.933 1.00 0.00 N ATOM 488 CA MET A 64 -3.848 0.506 1.560 1.00 0.00 C ATOM 489 C MET A 64 -2.741 -0.539 1.538 1.00 0.00 C ATOM 490 O MET A 64 -1.772 -0.419 0.786 1.00 0.00 O ATOM 491 CB MET A 64 -4.542 0.568 0.191 1.00 0.00 C ATOM 492 CG MET A 64 -5.786 1.442 0.188 1.00 0.00 C ATOM 493 SD MET A 64 -6.667 1.415 -1.382 1.00 0.00 S ATOM 494 CE MET A 64 -8.061 2.468 -0.985 1.00 0.00 C ATOM 0 H MET A 64 -2.508 2.117 1.417 1.00 0.00 H new ATOM 0 HA MET A 64 -4.575 0.209 2.316 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.838 0.948 -0.549 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.815 -0.441 -0.117 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.457 1.110 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.502 2.468 0.420 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.622 2.687 -1.893 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.709 1.960 -0.271 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.701 3.399 -0.548 1.00 0.00 H new ATOM 504 N PHE A 65 -2.889 -1.551 2.385 1.00 0.00 N ATOM 505 CA PHE A 65 -2.014 -2.716 2.370 1.00 0.00 C ATOM 506 C PHE A 65 -2.726 -3.830 1.609 1.00 0.00 C ATOM 507 O PHE A 65 -3.597 -4.515 2.158 1.00 0.00 O ATOM 508 CB PHE A 65 -1.689 -3.167 3.803 1.00 0.00 C ATOM 509 CG PHE A 65 -1.276 -2.041 4.721 1.00 0.00 C ATOM 510 CD1 PHE A 65 0.043 -1.621 4.784 1.00 0.00 C ATOM 511 CD2 PHE A 65 -2.216 -1.405 5.524 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.418 -0.589 5.626 1.00 0.00 C ATOM 513 CE2 PHE A 65 -1.844 -0.376 6.368 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.526 0.031 6.419 1.00 0.00 C ATOM 0 H PHE A 65 -3.617 -1.587 3.099 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.071 -2.469 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.563 -3.664 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.889 -3.906 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.787 -2.105 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.249 -1.719 5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.449 -0.269 5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.584 0.109 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.234 0.834 7.079 1.00 0.00 H new ATOM 524 N VAL A 66 -2.401 -3.981 0.333 1.00 0.00 N ATOM 525 CA VAL A 66 -3.126 -4.899 -0.534 1.00 0.00 C ATOM 526 C VAL A 66 -2.524 -6.301 -0.491 1.00 0.00 C ATOM 527 O VAL A 66 -1.409 -6.526 -0.968 1.00 0.00 O ATOM 528 CB VAL A 66 -3.132 -4.392 -1.998 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.046 -5.253 -2.871 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.539 -2.921 -2.059 1.00 0.00 C ATOM 0 H VAL A 66 -1.640 -3.480 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.150 -4.944 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.119 -4.478 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.033 -4.876 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.694 -6.285 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.064 -5.213 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.537 -2.586 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.539 -2.803 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.832 -2.324 -1.483 1.00 0.00 H new ATOM 540 N THR A 67 -3.259 -7.232 0.102 1.00 0.00 N ATOM 541 CA THR A 67 -2.898 -8.639 0.058 1.00 0.00 C ATOM 542 C THR A 67 -3.204 -9.182 -1.339 1.00 0.00 C ATOM 543 O THR A 67 -4.347 -9.527 -1.646 1.00 0.00 O ATOM 544 CB THR A 67 -3.675 -9.451 1.121 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.561 -8.810 2.401 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.147 -10.883 1.217 1.00 0.00 C ATOM 0 H THR A 67 -4.114 -7.034 0.622 1.00 0.00 H new ATOM 0 HA THR A 67 -1.835 -8.738 0.277 1.00 0.00 H new ATOM 0 HB THR A 67 -4.722 -9.490 0.820 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.056 -9.327 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.712 -11.429 1.972 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.258 -11.377 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.093 -10.864 1.496 1.00 0.00 H new ATOM 554 N VAL A 68 -2.186 -9.211 -2.191 1.00 0.00 N ATOM 555 CA VAL A 68 -2.363 -9.589 -3.590 1.00 0.00 C ATOM 556 C VAL A 68 -2.175 -11.088 -3.772 1.00 0.00 C ATOM 557 O VAL A 68 -2.989 -11.763 -4.402 1.00 0.00 O ATOM 558 CB VAL A 68 -1.360 -8.848 -4.509 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.612 -9.188 -5.977 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.418 -7.340 -4.279 1.00 0.00 C ATOM 0 H VAL A 68 -1.226 -8.977 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.378 -9.307 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.356 -9.187 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.895 -8.655 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.497 -10.262 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.624 -8.890 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.704 -6.844 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.423 -6.977 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.168 -7.120 -3.241 1.00 0.00 H new ATOM 570 N SER A 69 -1.092 -11.593 -3.208 1.00 0.00 N ATOM 571 CA SER A 69 -0.709 -12.983 -3.391 1.00 0.00 C ATOM 572 C SER A 69 -1.307 -13.867 -2.305 1.00 0.00 C ATOM 573 O SER A 69 -2.092 -14.776 -2.585 1.00 0.00 O ATOM 574 CB SER A 69 0.821 -13.093 -3.376 1.00 0.00 C ATOM 575 OG SER A 69 1.249 -14.435 -3.510 1.00 0.00 O ATOM 0 H SER A 69 -0.458 -11.057 -2.615 1.00 0.00 H new ATOM 0 HA SER A 69 -1.095 -13.327 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.237 -12.495 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.207 -12.679 -2.444 1.00 0.00 H new ATOM 0 HG SER A 69 2.027 -14.589 -2.934 1.00 0.00 H new ATOM 581 N GLY A 70 -0.938 -13.583 -1.063 1.00 0.00 N ATOM 582 CA GLY A 70 -1.237 -14.488 0.033 1.00 0.00 C ATOM 583 C GLY A 70 -0.308 -15.691 0.017 1.00 0.00 C ATOM 584 O GLY A 70 -0.355 -16.541 0.908 1.00 0.00 O ATOM 0 H GLY A 70 -0.434 -12.738 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.138 -13.961 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.272 -14.823 -0.039 1.00 0.00 H new ATOM 588 N ASN A 71 0.545 -15.739 -1.005 1.00 0.00 N ATOM 589 CA ASN A 71 1.489 -16.829 -1.215 1.00 0.00 C ATOM 590 C ASN A 71 2.921 -16.283 -1.196 1.00 0.00 C ATOM 591 O ASN A 71 3.205 -15.258 -1.817 1.00 0.00 O ATOM 592 CB ASN A 71 1.173 -17.530 -2.548 1.00 0.00 C ATOM 593 CG ASN A 71 2.257 -18.492 -2.997 1.00 0.00 C ATOM 594 OD1 ASN A 71 2.345 -19.620 -2.513 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.069 -18.065 -3.952 1.00 0.00 N ATOM 0 H ASN A 71 0.598 -15.012 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 71 1.397 -17.562 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.233 -18.074 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.025 -16.775 -3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.800 -18.679 -4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.964 -17.122 -4.327 1.00 0.00 H new ATOM 602 N PRO A 72 3.835 -16.964 -0.475 1.00 0.00 N ATOM 603 CA PRO A 72 5.213 -16.489 -0.243 1.00 0.00 C ATOM 604 C PRO A 72 6.024 -16.213 -1.519 1.00 0.00 C ATOM 605 O PRO A 72 7.045 -15.525 -1.459 1.00 0.00 O ATOM 606 CB PRO A 72 5.863 -17.620 0.580 1.00 0.00 C ATOM 607 CG PRO A 72 4.978 -18.805 0.384 1.00 0.00 C ATOM 608 CD PRO A 72 3.594 -18.255 0.201 1.00 0.00 C ATOM 0 HA PRO A 72 5.196 -15.521 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.877 -17.825 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.932 -17.350 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.287 -19.384 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.023 -19.473 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.973 -18.917 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.083 -18.122 1.155 1.00 0.00 H new ATOM 616 N THR A 73 5.597 -16.741 -2.666 1.00 0.00 N ATOM 617 CA THR A 73 6.380 -16.598 -3.892 1.00 0.00 C ATOM 618 C THR A 73 6.186 -15.193 -4.490 1.00 0.00 C ATOM 619 O THR A 73 5.103 -14.613 -4.397 1.00 0.00 O ATOM 620 CB THR A 73 6.015 -17.700 -4.912 1.00 0.00 C ATOM 621 OG1 THR A 73 5.670 -18.905 -4.206 1.00 0.00 O ATOM 622 CG2 THR A 73 7.193 -17.994 -5.836 1.00 0.00 C ATOM 0 H THR A 73 4.727 -17.263 -2.772 1.00 0.00 H new ATOM 0 HA THR A 73 7.435 -16.718 -3.645 1.00 0.00 H new ATOM 0 HB THR A 73 5.172 -17.352 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.436 -19.606 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.913 -18.773 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.464 -17.089 -6.379 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.044 -18.331 -5.244 1.00 0.00 H new ATOM 630 N GLU A 74 7.249 -14.656 -5.096 1.00 0.00 N ATOM 631 CA GLU A 74 7.332 -13.223 -5.402 1.00 0.00 C ATOM 632 C GLU A 74 6.674 -12.819 -6.726 1.00 0.00 C ATOM 633 O GLU A 74 6.316 -11.649 -6.888 1.00 0.00 O ATOM 634 CB GLU A 74 8.797 -12.777 -5.417 1.00 0.00 C ATOM 635 CG GLU A 74 9.555 -13.109 -4.139 1.00 0.00 C ATOM 636 CD GLU A 74 10.963 -12.542 -4.139 1.00 0.00 C ATOM 637 OE1 GLU A 74 11.761 -12.930 -5.018 1.00 0.00 O ATOM 638 OE2 GLU A 74 11.270 -11.689 -3.279 1.00 0.00 O ATOM 0 H GLU A 74 8.067 -15.193 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 74 6.773 -12.722 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.302 -13.248 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.837 -11.700 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.008 -12.716 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.602 -14.191 -4.018 1.00 0.00 H new ATOM 645 N LYS A 75 6.519 -13.763 -7.664 1.00 0.00 N ATOM 646 CA LYS A 75 6.018 -13.432 -9.015 1.00 0.00 C ATOM 647 C LYS A 75 4.786 -12.537 -8.929 1.00 0.00 C ATOM 648 O LYS A 75 4.641 -11.569 -9.675 1.00 0.00 O ATOM 649 CB LYS A 75 5.638 -14.688 -9.826 1.00 0.00 C ATOM 650 CG LYS A 75 6.714 -15.767 -9.916 1.00 0.00 C ATOM 651 CD LYS A 75 6.557 -16.821 -8.825 1.00 0.00 C ATOM 652 CE LYS A 75 5.187 -17.500 -8.871 1.00 0.00 C ATOM 653 NZ LYS A 75 4.937 -18.194 -10.162 1.00 0.00 N ATOM 0 H LYS A 75 6.729 -14.751 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 75 6.834 -12.917 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.744 -15.128 -9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.373 -14.379 -10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.666 -16.247 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.698 -15.305 -9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.338 -17.574 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.697 -16.356 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.115 -18.220 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.410 -16.754 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.034 -18.707 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.894 -17.494 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.708 -18.867 -10.349 1.00 0.00 H new ATOM 667 N GLU A 76 3.919 -12.882 -7.990 1.00 0.00 N ATOM 668 CA GLU A 76 2.635 -12.219 -7.803 1.00 0.00 C ATOM 669 C GLU A 76 2.809 -10.710 -7.596 1.00 0.00 C ATOM 670 O GLU A 76 2.397 -9.903 -8.438 1.00 0.00 O ATOM 671 CB GLU A 76 1.911 -12.844 -6.598 1.00 0.00 C ATOM 672 CG GLU A 76 1.443 -14.293 -6.801 1.00 0.00 C ATOM 673 CD GLU A 76 2.458 -15.166 -7.522 1.00 0.00 C ATOM 674 OE1 GLU A 76 3.474 -15.545 -6.901 1.00 0.00 O ATOM 675 OE2 GLU A 76 2.253 -15.454 -8.722 1.00 0.00 O ATOM 0 H GLU A 76 4.088 -13.639 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 76 2.037 -12.359 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.577 -12.811 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.044 -12.229 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.222 -14.734 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.512 -14.289 -7.368 1.00 0.00 H new ATOM 682 N THR A 77 3.441 -10.339 -6.483 1.00 0.00 N ATOM 683 CA THR A 77 3.603 -8.933 -6.120 1.00 0.00 C ATOM 684 C THR A 77 4.463 -8.201 -7.153 1.00 0.00 C ATOM 685 O THR A 77 4.195 -7.048 -7.491 1.00 0.00 O ATOM 686 CB THR A 77 4.215 -8.772 -4.704 1.00 0.00 C ATOM 687 OG1 THR A 77 4.195 -7.396 -4.306 1.00 0.00 O ATOM 688 CG2 THR A 77 5.648 -9.294 -4.644 1.00 0.00 C ATOM 0 H THR A 77 3.850 -10.994 -5.817 1.00 0.00 H new ATOM 0 HA THR A 77 2.609 -8.486 -6.108 1.00 0.00 H new ATOM 0 HB THR A 77 3.606 -9.363 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.842 -7.324 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.041 -9.163 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.661 -10.352 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.267 -8.740 -5.349 1.00 0.00 H new ATOM 696 N GLU A 78 5.475 -8.888 -7.672 1.00 0.00 N ATOM 697 CA GLU A 78 6.388 -8.303 -8.650 1.00 0.00 C ATOM 698 C GLU A 78 5.623 -7.865 -9.905 1.00 0.00 C ATOM 699 O GLU A 78 5.622 -6.681 -10.275 1.00 0.00 O ATOM 700 CB GLU A 78 7.480 -9.323 -9.007 1.00 0.00 C ATOM 701 CG GLU A 78 8.617 -8.758 -9.850 1.00 0.00 C ATOM 702 CD GLU A 78 9.659 -9.808 -10.201 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.562 -10.071 -9.373 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.583 -10.378 -11.309 1.00 0.00 O ATOM 0 H GLU A 78 5.685 -9.856 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 78 6.857 -7.419 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.895 -9.730 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.023 -10.153 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.209 -8.335 -10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.096 -7.942 -9.308 1.00 0.00 H new ATOM 711 N GLU A 79 4.946 -8.825 -10.531 1.00 0.00 N ATOM 712 CA GLU A 79 4.205 -8.585 -11.765 1.00 0.00 C ATOM 713 C GLU A 79 3.103 -7.541 -11.562 1.00 0.00 C ATOM 714 O GLU A 79 2.970 -6.603 -12.359 1.00 0.00 O ATOM 715 CB GLU A 79 3.606 -9.902 -12.287 1.00 0.00 C ATOM 716 CG GLU A 79 4.655 -10.899 -12.781 1.00 0.00 C ATOM 717 CD GLU A 79 4.077 -12.272 -13.105 1.00 0.00 C ATOM 718 OE1 GLU A 79 3.150 -12.360 -13.941 1.00 0.00 O ATOM 719 OE2 GLU A 79 4.561 -13.278 -12.541 1.00 0.00 O ATOM 0 H GLU A 79 4.896 -9.788 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 79 4.902 -8.192 -12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.022 -10.366 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.916 -9.680 -13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.138 -10.496 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.429 -11.008 -12.021 1.00 0.00 H new ATOM 726 N ILE A 80 2.327 -7.687 -10.488 1.00 0.00 N ATOM 727 CA ILE A 80 1.187 -6.800 -10.258 1.00 0.00 C ATOM 728 C ILE A 80 1.644 -5.373 -9.942 1.00 0.00 C ATOM 729 O ILE A 80 1.046 -4.407 -10.423 1.00 0.00 O ATOM 730 CB ILE A 80 0.251 -7.319 -9.132 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.070 -6.534 -9.129 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.926 -7.226 -7.767 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.848 -6.630 -10.426 1.00 0.00 C ATOM 0 H ILE A 80 2.464 -8.401 -9.772 1.00 0.00 H new ATOM 0 HA ILE A 80 0.617 -6.790 -11.187 1.00 0.00 H new ATOM 0 HB ILE A 80 0.036 -8.369 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.696 -6.899 -8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.857 -5.485 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.247 -7.596 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.835 -7.828 -7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.180 -6.187 -7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.767 -6.049 -10.343 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.243 -6.237 -11.243 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.095 -7.673 -10.626 1.00 0.00 H new ATOM 745 N THR A 81 2.707 -5.237 -9.151 1.00 0.00 N ATOM 746 CA THR A 81 3.243 -3.921 -8.817 1.00 0.00 C ATOM 747 C THR A 81 3.785 -3.237 -10.071 1.00 0.00 C ATOM 748 O THR A 81 3.657 -2.020 -10.228 1.00 0.00 O ATOM 749 CB THR A 81 4.349 -4.010 -7.737 1.00 0.00 C ATOM 750 OG1 THR A 81 3.805 -4.576 -6.538 1.00 0.00 O ATOM 751 CG2 THR A 81 4.943 -2.638 -7.425 1.00 0.00 C ATOM 0 H THR A 81 3.211 -6.018 -8.732 1.00 0.00 H new ATOM 0 HA THR A 81 2.427 -3.326 -8.407 1.00 0.00 H new ATOM 0 HB THR A 81 5.146 -4.644 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.714 -5.546 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.716 -2.741 -6.663 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.380 -2.216 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.158 -1.976 -7.059 1.00 0.00 H new ATOM 759 N SER A 82 4.372 -4.028 -10.967 1.00 0.00 N ATOM 760 CA SER A 82 4.833 -3.511 -12.251 1.00 0.00 C ATOM 761 C SER A 82 3.643 -2.974 -13.058 1.00 0.00 C ATOM 762 O SER A 82 3.721 -1.900 -13.665 1.00 0.00 O ATOM 763 CB SER A 82 5.570 -4.608 -13.034 1.00 0.00 C ATOM 764 OG SER A 82 6.138 -4.098 -14.231 1.00 0.00 O ATOM 0 H SER A 82 4.538 -5.025 -10.827 1.00 0.00 H new ATOM 0 HA SER A 82 5.530 -2.692 -12.074 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.355 -5.037 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.877 -5.414 -13.273 1.00 0.00 H new ATOM 0 HG SER A 82 6.601 -4.819 -14.706 1.00 0.00 H new ATOM 770 N LEU A 83 2.535 -3.720 -13.044 1.00 0.00 N ATOM 771 CA LEU A 83 1.302 -3.289 -13.715 1.00 0.00 C ATOM 772 C LEU A 83 0.793 -1.977 -13.118 1.00 0.00 C ATOM 773 O LEU A 83 0.487 -1.021 -13.840 1.00 0.00 O ATOM 774 CB LEU A 83 0.212 -4.373 -13.608 1.00 0.00 C ATOM 775 CG LEU A 83 0.531 -5.700 -14.321 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.581 -6.720 -14.086 1.00 0.00 C ATOM 777 CD2 LEU A 83 0.752 -5.472 -15.816 1.00 0.00 C ATOM 0 H LEU A 83 2.465 -4.624 -12.577 1.00 0.00 H new ATOM 0 HA LEU A 83 1.532 -3.130 -14.768 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.032 -4.581 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.716 -3.974 -14.017 1.00 0.00 H new ATOM 0 HG LEU A 83 1.453 -6.100 -13.900 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.336 -7.650 -14.598 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.681 -6.910 -13.017 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.521 -6.329 -14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.976 -6.423 -16.300 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.149 -5.044 -16.256 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.587 -4.786 -15.960 1.00 0.00 H new ATOM 789 N TRP A 84 0.716 -1.934 -11.792 1.00 0.00 N ATOM 790 CA TRP A 84 0.234 -0.754 -11.081 1.00 0.00 C ATOM 791 C TRP A 84 1.123 0.459 -11.359 1.00 0.00 C ATOM 792 O TRP A 84 0.628 1.570 -11.535 1.00 0.00 O ATOM 793 CB TRP A 84 0.141 -1.035 -9.576 1.00 0.00 C ATOM 794 CG TRP A 84 -0.989 -1.957 -9.212 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.087 -2.250 -9.970 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.141 -2.688 -7.994 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.914 -3.111 -9.292 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.354 -3.394 -8.077 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.370 -2.811 -6.842 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.813 -4.209 -7.047 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.823 -3.621 -5.820 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.035 -4.311 -5.929 1.00 0.00 C ATOM 0 H TRP A 84 0.983 -2.708 -11.184 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.766 -0.521 -11.448 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.080 -1.471 -9.236 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.017 -0.092 -9.044 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.277 -1.861 -10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.800 -3.479 -9.638 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.567 -2.282 -6.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.749 -4.741 -7.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.232 -3.724 -4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.362 -4.937 -5.112 1.00 0.00 H new ATOM 813 N GLN A 85 2.432 0.244 -11.387 1.00 0.00 N ATOM 814 CA GLN A 85 3.374 1.281 -11.809 1.00 0.00 C ATOM 815 C GLN A 85 3.002 1.785 -13.205 1.00 0.00 C ATOM 816 O GLN A 85 2.929 2.991 -13.448 1.00 0.00 O ATOM 817 CB GLN A 85 4.804 0.719 -11.813 1.00 0.00 C ATOM 818 CG GLN A 85 5.858 1.684 -12.342 1.00 0.00 C ATOM 819 CD GLN A 85 7.240 1.059 -12.402 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.616 0.453 -13.404 1.00 0.00 O ATOM 821 NE2 GLN A 85 8.011 1.208 -11.336 1.00 0.00 N ATOM 0 H GLN A 85 2.869 -0.639 -11.123 1.00 0.00 H new ATOM 0 HA GLN A 85 3.325 2.114 -11.108 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.071 0.430 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.823 -0.188 -12.417 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.571 2.020 -13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.890 2.568 -11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.664 1.717 -10.523 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.952 0.814 -11.328 1.00 0.00 H new ATOM 830 N GLY A 86 2.728 0.836 -14.093 1.00 0.00 N ATOM 831 CA GLY A 86 2.366 1.158 -15.463 1.00 0.00 C ATOM 832 C GLY A 86 1.009 1.831 -15.569 1.00 0.00 C ATOM 833 O GLY A 86 0.720 2.509 -16.554 1.00 0.00 O ATOM 0 H GLY A 86 2.750 -0.162 -13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.126 1.812 -15.891 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.361 0.244 -16.057 1.00 0.00 H new ATOM 837 N SER A 87 0.165 1.629 -14.560 1.00 0.00 N ATOM 838 CA SER A 87 -1.177 2.211 -14.548 1.00 0.00 C ATOM 839 C SER A 87 -1.224 3.525 -13.751 1.00 0.00 C ATOM 840 O SER A 87 -1.400 4.606 -14.320 1.00 0.00 O ATOM 841 CB SER A 87 -2.171 1.201 -13.966 1.00 0.00 C ATOM 842 OG SER A 87 -2.071 -0.047 -14.632 1.00 0.00 O ATOM 0 H SER A 87 0.386 1.066 -13.739 1.00 0.00 H new ATOM 0 HA SER A 87 -1.452 2.445 -15.576 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.978 1.066 -12.902 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.186 1.588 -14.060 1.00 0.00 H new ATOM 0 HG SER A 87 -1.231 -0.485 -14.381 1.00 0.00 H new ATOM 848 N LEU A 88 -1.048 3.420 -12.436 1.00 0.00 N ATOM 849 CA LEU A 88 -1.217 4.559 -11.527 1.00 0.00 C ATOM 850 C LEU A 88 -0.195 5.662 -11.801 1.00 0.00 C ATOM 851 O LEU A 88 -0.553 6.838 -11.865 1.00 0.00 O ATOM 852 CB LEU A 88 -1.135 4.103 -10.057 1.00 0.00 C ATOM 853 CG LEU A 88 -2.337 3.283 -9.544 1.00 0.00 C ATOM 854 CD1 LEU A 88 -2.432 1.935 -10.249 1.00 0.00 C ATOM 855 CD2 LEU A 88 -2.257 3.093 -8.032 1.00 0.00 C ATOM 0 H LEU A 88 -0.786 2.551 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.208 4.974 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.231 3.507 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.025 4.986 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.242 3.845 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.289 1.383 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.553 2.093 -11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.521 1.364 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.115 2.512 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.338 2.564 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.261 4.067 -7.542 1.00 0.00 H new ATOM 867 N PHE A 89 1.073 5.290 -11.968 1.00 0.00 N ATOM 868 CA PHE A 89 2.126 6.273 -12.244 1.00 0.00 C ATOM 869 C PHE A 89 2.088 6.742 -13.695 1.00 0.00 C ATOM 870 O PHE A 89 2.887 7.584 -14.106 1.00 0.00 O ATOM 871 CB PHE A 89 3.512 5.718 -11.875 1.00 0.00 C ATOM 872 CG PHE A 89 3.863 5.949 -10.426 1.00 0.00 C ATOM 873 CD1 PHE A 89 3.121 5.359 -9.411 1.00 0.00 C ATOM 874 CD2 PHE A 89 4.923 6.778 -10.078 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.428 5.591 -8.085 1.00 0.00 C ATOM 876 CE2 PHE A 89 5.236 7.008 -8.751 1.00 0.00 C ATOM 877 CZ PHE A 89 4.487 6.416 -7.754 1.00 0.00 C ATOM 0 H PHE A 89 1.397 4.324 -11.918 1.00 0.00 H new ATOM 0 HA PHE A 89 1.936 7.143 -11.615 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.539 4.649 -12.085 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.267 6.186 -12.507 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.294 4.711 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.509 7.248 -10.854 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.841 5.128 -7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.066 7.650 -8.495 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.728 6.597 -6.717 1.00 0.00 H new ATOM 887 N ASN A 90 1.148 6.202 -14.458 1.00 0.00 N ATOM 888 CA ASN A 90 0.877 6.691 -15.808 1.00 0.00 C ATOM 889 C ASN A 90 -0.149 7.815 -15.721 1.00 0.00 C ATOM 890 O ASN A 90 -0.090 8.797 -16.461 1.00 0.00 O ATOM 891 CB ASN A 90 0.369 5.554 -16.707 1.00 0.00 C ATOM 892 CG ASN A 90 0.045 6.009 -18.121 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.617 6.971 -18.631 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.861 5.301 -18.772 1.00 0.00 N ATOM 0 H ASN A 90 0.557 5.423 -14.167 1.00 0.00 H new ATOM 0 HA ASN A 90 1.797 7.070 -16.253 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.123 4.768 -16.749 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.523 5.116 -16.259 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.107 5.546 -19.731 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.314 4.509 -18.315 1.00 0.00 H new ATOM 901 N ALA A 91 -1.085 7.657 -14.787 1.00 0.00 N ATOM 902 CA ALA A 91 -2.032 8.716 -14.451 1.00 0.00 C ATOM 903 C ALA A 91 -1.381 9.700 -13.475 1.00 0.00 C ATOM 904 O ALA A 91 -1.924 10.767 -13.193 1.00 0.00 O ATOM 905 CB ALA A 91 -3.300 8.122 -13.848 1.00 0.00 C ATOM 0 H ALA A 91 -1.207 6.800 -14.247 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.306 9.251 -15.360 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.996 8.924 -13.603 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.763 7.447 -14.567 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.048 7.570 -12.942 1.00 0.00 H new ATOM 911 N ASN A 92 -0.210 9.303 -12.965 1.00 0.00 N ATOM 912 CA ASN A 92 0.594 10.122 -12.056 1.00 0.00 C ATOM 913 C ASN A 92 -0.188 10.506 -10.805 1.00 0.00 C ATOM 914 O ASN A 92 -0.595 11.656 -10.633 1.00 0.00 O ATOM 915 CB ASN A 92 1.138 11.375 -12.768 1.00 0.00 C ATOM 916 CG ASN A 92 2.221 11.042 -13.784 1.00 0.00 C ATOM 917 OD1 ASN A 92 3.413 11.041 -13.469 1.00 0.00 O ATOM 918 ND2 ASN A 92 1.817 10.754 -15.011 1.00 0.00 N ATOM 0 H ASN A 92 0.208 8.397 -13.174 1.00 0.00 H new ATOM 0 HA ASN A 92 1.444 9.516 -11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.318 11.889 -13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.540 12.065 -12.026 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.500 10.521 -15.732 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.822 10.765 -15.236 1.00 0.00 H new ATOM 925 N TYR A 93 -0.416 9.520 -9.946 1.00 0.00 N ATOM 926 CA TYR A 93 -1.062 9.755 -8.655 1.00 0.00 C ATOM 927 C TYR A 93 -0.024 10.088 -7.583 1.00 0.00 C ATOM 928 O TYR A 93 1.162 9.784 -7.736 1.00 0.00 O ATOM 929 CB TYR A 93 -1.896 8.536 -8.235 1.00 0.00 C ATOM 930 CG TYR A 93 -3.162 8.343 -9.055 1.00 0.00 C ATOM 931 CD1 TYR A 93 -3.961 9.431 -9.396 1.00 0.00 C ATOM 932 CD2 TYR A 93 -3.561 7.079 -9.481 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.116 9.265 -10.133 1.00 0.00 C ATOM 934 CE2 TYR A 93 -4.719 6.907 -10.219 1.00 0.00 C ATOM 935 CZ TYR A 93 -5.491 8.004 -10.543 1.00 0.00 C ATOM 936 OH TYR A 93 -6.645 7.841 -11.277 1.00 0.00 O ATOM 0 H TYR A 93 -0.163 8.547 -10.118 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.731 10.609 -8.762 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.280 7.640 -8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.168 8.638 -7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.672 10.422 -9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.957 6.219 -9.232 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.724 10.121 -10.388 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.017 5.920 -10.540 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.391 7.642 -10.674 1.00 0.00 H new ATOM 946 N ASP A 94 -0.486 10.693 -6.487 1.00 0.00 N ATOM 947 CA ASP A 94 0.392 11.117 -5.389 1.00 0.00 C ATOM 948 C ASP A 94 0.601 9.985 -4.385 1.00 0.00 C ATOM 949 O ASP A 94 0.904 10.223 -3.213 1.00 0.00 O ATOM 950 CB ASP A 94 -0.201 12.348 -4.678 1.00 0.00 C ATOM 951 CG ASP A 94 -1.553 12.069 -4.028 1.00 0.00 C ATOM 952 OD1 ASP A 94 -2.562 12.005 -4.763 1.00 0.00 O ATOM 953 OD2 ASP A 94 -1.617 11.930 -2.786 1.00 0.00 O ATOM 0 H ASP A 94 -1.472 10.903 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 94 1.360 11.381 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.498 12.692 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.311 13.159 -5.398 1.00 0.00 H new ATOM 958 N VAL A 95 0.490 8.754 -4.864 1.00 0.00 N ATOM 959 CA VAL A 95 0.583 7.586 -4.000 1.00 0.00 C ATOM 960 C VAL A 95 2.036 7.149 -3.815 1.00 0.00 C ATOM 961 O VAL A 95 2.803 7.049 -4.777 1.00 0.00 O ATOM 962 CB VAL A 95 -0.244 6.392 -4.554 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.736 6.721 -4.557 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.222 5.999 -5.959 1.00 0.00 C ATOM 0 H VAL A 95 0.335 8.538 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 95 0.170 7.879 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.080 5.540 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.295 5.871 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.064 6.933 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.915 7.594 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.375 5.161 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.101 6.847 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.272 5.708 -5.926 1.00 0.00 H new ATOM 974 N GLN A 96 2.403 6.897 -2.564 1.00 0.00 N ATOM 975 CA GLN A 96 3.708 6.340 -2.238 1.00 0.00 C ATOM 976 C GLN A 96 3.539 4.850 -1.998 1.00 0.00 C ATOM 977 O GLN A 96 2.796 4.438 -1.107 1.00 0.00 O ATOM 978 CB GLN A 96 4.301 7.023 -0.995 1.00 0.00 C ATOM 979 CG GLN A 96 5.645 6.446 -0.532 1.00 0.00 C ATOM 980 CD GLN A 96 6.793 6.689 -1.509 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.599 6.753 -2.721 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.003 6.823 -0.978 1.00 0.00 N ATOM 0 H GLN A 96 1.809 7.072 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 96 4.399 6.511 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.429 8.085 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.585 6.945 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.904 6.883 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.534 5.373 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.126 6.764 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.810 6.985 -1.581 1.00 0.00 H new ATOM 991 N ARG A 97 4.207 4.048 -2.811 1.00 0.00 N ATOM 992 CA ARG A 97 4.001 2.605 -2.798 1.00 0.00 C ATOM 993 C ARG A 97 5.324 1.871 -2.638 1.00 0.00 C ATOM 994 O ARG A 97 6.342 2.277 -3.208 1.00 0.00 O ATOM 995 CB ARG A 97 3.288 2.138 -4.085 1.00 0.00 C ATOM 996 CG ARG A 97 4.158 2.142 -5.345 1.00 0.00 C ATOM 997 CD ARG A 97 4.687 3.534 -5.673 1.00 0.00 C ATOM 998 NE ARG A 97 5.615 3.524 -6.804 1.00 0.00 N ATOM 999 CZ ARG A 97 6.944 3.506 -6.683 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.509 3.375 -5.490 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.706 3.592 -7.759 1.00 0.00 N ATOM 0 H ARG A 97 4.897 4.370 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 97 3.366 2.368 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.909 1.128 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.424 2.779 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.996 1.459 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.576 1.768 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.850 4.194 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.190 3.945 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 97 5.221 3.531 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.927 3.287 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.525 3.362 -5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.278 3.672 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.722 3.578 -7.667 1.00 0.00 H new ATOM 1015 N PHE A 98 5.300 0.799 -1.856 1.00 0.00 N ATOM 1016 CA PHE A 98 6.471 -0.047 -1.665 1.00 0.00 C ATOM 1017 C PHE A 98 6.113 -1.492 -1.991 1.00 0.00 C ATOM 1018 O PHE A 98 4.968 -1.925 -1.779 1.00 0.00 O ATOM 1019 CB PHE A 98 6.991 0.046 -0.219 1.00 0.00 C ATOM 1020 CG PHE A 98 7.131 1.457 0.299 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.087 2.314 -0.226 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.301 1.928 1.311 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.214 3.607 0.246 1.00 0.00 C ATOM 1024 CE2 PHE A 98 6.426 3.219 1.786 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.383 4.060 1.255 1.00 0.00 C ATOM 0 H PHE A 98 4.475 0.493 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 98 7.259 0.299 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.314 -0.503 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.961 -0.448 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.740 1.967 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.549 1.276 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.962 4.264 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.775 3.570 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.483 5.069 1.626 1.00 0.00 H new ATOM 1035 N ILE A 99 7.088 -2.222 -2.519 1.00 0.00 N ATOM 1036 CA ILE A 99 6.923 -3.636 -2.827 1.00 0.00 C ATOM 1037 C ILE A 99 7.813 -4.470 -1.905 1.00 0.00 C ATOM 1038 O ILE A 99 9.019 -4.598 -2.117 1.00 0.00 O ATOM 1039 CB ILE A 99 7.231 -3.942 -4.320 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.149 -5.458 -4.591 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.593 -3.379 -4.735 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.379 -5.839 -6.039 1.00 0.00 C ATOM 0 H ILE A 99 8.011 -1.852 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 99 5.880 -3.903 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 99 6.475 -3.446 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.886 -5.968 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.168 -5.819 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.778 -3.610 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.598 -2.298 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.374 -3.828 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.305 -6.921 -6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.627 -5.360 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.371 -5.511 -6.348 1.00 0.00 H new ATOM 1054 N VAL A 100 7.204 -4.991 -0.855 1.00 0.00 N ATOM 1055 CA VAL A 100 7.891 -5.816 0.128 1.00 0.00 C ATOM 1056 C VAL A 100 6.901 -6.825 0.695 1.00 0.00 C ATOM 1057 O VAL A 100 5.744 -6.482 0.940 1.00 0.00 O ATOM 1058 CB VAL A 100 8.503 -4.955 1.269 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.437 -4.086 1.940 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.218 -5.835 2.298 1.00 0.00 C ATOM 0 H VAL A 100 6.213 -4.854 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 100 8.716 -6.335 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 100 9.242 -4.290 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.895 -3.496 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.994 -3.419 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.662 -4.724 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.637 -5.208 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.507 -6.537 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.020 -6.388 1.809 1.00 0.00 H new ATOM 1070 N GLY A 101 7.344 -8.066 0.879 1.00 0.00 N ATOM 1071 CA GLY A 101 6.432 -9.117 1.290 1.00 0.00 C ATOM 1072 C GLY A 101 5.610 -9.601 0.114 1.00 0.00 C ATOM 1073 O GLY A 101 4.682 -8.924 -0.315 1.00 0.00 O ATOM 0 H GLY A 101 8.312 -8.360 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.995 -9.949 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.772 -8.747 2.074 1.00 0.00 H new ATOM 1077 N SER A 102 5.979 -10.752 -0.430 1.00 0.00 N ATOM 1078 CA SER A 102 5.373 -11.281 -1.650 1.00 0.00 C ATOM 1079 C SER A 102 3.836 -11.274 -1.607 1.00 0.00 C ATOM 1080 O SER A 102 3.181 -11.110 -2.640 1.00 0.00 O ATOM 1081 CB SER A 102 5.882 -12.700 -1.885 1.00 0.00 C ATOM 1082 OG SER A 102 7.299 -12.747 -1.804 1.00 0.00 O ATOM 0 H SER A 102 6.708 -11.349 -0.039 1.00 0.00 H new ATOM 0 HA SER A 102 5.664 -10.627 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.448 -13.374 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.557 -13.050 -2.865 1.00 0.00 H new ATOM 0 HG SER A 102 7.588 -13.673 -1.667 1.00 0.00 H new ATOM 1088 N ASP A 103 3.269 -11.459 -0.419 1.00 0.00 N ATOM 1089 CA ASP A 103 1.817 -11.531 -0.256 1.00 0.00 C ATOM 1090 C ASP A 103 1.146 -10.161 -0.375 1.00 0.00 C ATOM 1091 O ASP A 103 -0.063 -10.076 -0.618 1.00 0.00 O ATOM 1092 CB ASP A 103 1.475 -12.153 1.106 1.00 0.00 C ATOM 1093 CG ASP A 103 1.933 -11.294 2.279 1.00 0.00 C ATOM 1094 OD1 ASP A 103 3.159 -11.118 2.443 1.00 0.00 O ATOM 1095 OD2 ASP A 103 1.070 -10.805 3.043 1.00 0.00 O ATOM 0 H ASP A 103 3.794 -11.562 0.450 1.00 0.00 H new ATOM 0 HA ASP A 103 1.434 -12.155 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.397 -12.304 1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.940 -13.136 1.178 1.00 0.00 H new ATOM 1100 N ARG A 104 1.933 -9.098 -0.257 1.00 0.00 N ATOM 1101 CA ARG A 104 1.394 -7.746 -0.115 1.00 0.00 C ATOM 1102 C ARG A 104 2.096 -6.728 -1.013 1.00 0.00 C ATOM 1103 O ARG A 104 3.226 -6.927 -1.463 1.00 0.00 O ATOM 1104 CB ARG A 104 1.510 -7.280 1.347 1.00 0.00 C ATOM 1105 CG ARG A 104 0.347 -7.689 2.245 1.00 0.00 C ATOM 1106 CD ARG A 104 0.623 -7.334 3.705 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.593 -7.348 4.526 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.209 -8.451 4.958 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -0.765 -9.656 4.612 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.281 -8.344 5.733 1.00 0.00 N ATOM 0 H ARG A 104 2.952 -9.145 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 104 0.349 -7.797 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.433 -7.679 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.596 -6.194 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.564 -7.191 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.175 -8.762 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.344 -8.040 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.080 -6.346 3.755 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.998 -6.449 4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.054 -9.744 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.244 -10.492 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.630 -7.422 5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.756 -9.183 6.066 1.00 0.00 H new ATOM 1124 N ALA A 105 1.370 -5.654 -1.295 1.00 0.00 N ATOM 1125 CA ALA A 105 1.932 -4.423 -1.830 1.00 0.00 C ATOM 1126 C ALA A 105 1.305 -3.258 -1.070 1.00 0.00 C ATOM 1127 O ALA A 105 0.115 -3.310 -0.738 1.00 0.00 O ATOM 1128 CB ALA A 105 1.665 -4.309 -3.327 1.00 0.00 C ATOM 0 H ALA A 105 0.360 -5.614 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 105 3.014 -4.414 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.095 -3.381 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.119 -5.155 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.590 -4.310 -3.506 1.00 0.00 H new ATOM 1134 N ILE A 106 2.077 -2.216 -0.782 1.00 0.00 N ATOM 1135 CA ILE A 106 1.584 -1.137 0.082 1.00 0.00 C ATOM 1136 C ILE A 106 1.518 0.192 -0.664 1.00 0.00 C ATOM 1137 O ILE A 106 2.429 0.538 -1.416 1.00 0.00 O ATOM 1138 CB ILE A 106 2.448 -0.983 1.362 1.00 0.00 C ATOM 1139 CG1 ILE A 106 2.010 0.253 2.169 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.930 -0.912 1.015 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.856 0.521 3.392 1.00 0.00 C ATOM 0 H ILE A 106 3.030 -2.091 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 106 0.574 -1.417 0.383 1.00 0.00 H new ATOM 0 HB ILE A 106 2.293 -1.865 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.041 1.128 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.973 0.123 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.513 -0.804 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.227 -1.826 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.111 -0.055 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.483 1.407 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.806 -0.336 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.890 0.685 3.090 1.00 0.00 H new ATOM 1153 N PHE A 107 0.422 0.926 -0.443 1.00 0.00 N ATOM 1154 CA PHE A 107 0.195 2.227 -1.071 1.00 0.00 C ATOM 1155 C PHE A 107 -0.232 3.238 -0.013 1.00 0.00 C ATOM 1156 O PHE A 107 -0.966 2.901 0.915 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.893 2.129 -2.158 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.426 1.508 -3.453 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.089 0.164 -3.520 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.326 2.276 -4.608 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.340 -0.398 -4.706 1.00 0.00 C ATOM 1162 CE2 PHE A 107 0.102 1.716 -5.796 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.436 0.377 -5.844 1.00 0.00 C ATOM 0 H PHE A 107 -0.332 0.632 0.178 1.00 0.00 H new ATOM 0 HA PHE A 107 1.125 2.551 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.727 1.545 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.274 3.129 -2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.163 -0.450 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.586 3.324 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.601 -1.445 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.175 2.324 -6.685 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.772 -0.063 -6.771 1.00 0.00 H new ATOM 1173 N MET A 108 0.234 4.472 -0.145 1.00 0.00 N ATOM 1174 CA MET A 108 -0.141 5.541 0.773 1.00 0.00 C ATOM 1175 C MET A 108 -0.655 6.740 -0.007 1.00 0.00 C ATOM 1176 O MET A 108 0.068 7.304 -0.828 1.00 0.00 O ATOM 1177 CB MET A 108 1.052 5.958 1.642 1.00 0.00 C ATOM 1178 CG MET A 108 1.606 4.839 2.512 1.00 0.00 C ATOM 1179 SD MET A 108 2.837 5.425 3.690 1.00 0.00 S ATOM 1180 CE MET A 108 1.877 6.622 4.613 1.00 0.00 C ATOM 0 H MET A 108 0.876 4.760 -0.883 1.00 0.00 H new ATOM 0 HA MET A 108 -0.931 5.170 1.426 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.847 6.329 0.995 1.00 0.00 H new ATOM 0 HB3 MET A 108 0.750 6.786 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 108 0.787 4.365 3.053 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.052 4.075 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 108 2.179 7.629 4.326 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.818 6.485 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 108 2.049 6.481 5.680 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.905 7.118 0.243 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.515 8.257 -0.432 1.00 0.00 C ATOM 1192 C LEU A 109 -2.453 9.484 0.472 1.00 0.00 C ATOM 1193 O LEU A 109 -2.994 9.467 1.582 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.985 7.966 -0.795 1.00 0.00 C ATOM 1195 CG LEU A 109 -4.231 6.816 -1.795 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.912 5.454 -1.176 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -5.672 6.851 -2.303 1.00 0.00 C ATOM 0 H LEU A 109 -2.517 6.649 0.911 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.961 8.443 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.526 7.741 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.422 8.876 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.557 6.960 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.097 4.669 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.865 5.428 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.546 5.293 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.830 6.034 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -6.357 6.743 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.859 7.802 -2.803 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.788 10.540 0.013 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.762 11.796 0.758 1.00 0.00 C ATOM 1211 C ARG A 110 -3.097 12.503 0.567 1.00 0.00 C ATOM 1212 O ARG A 110 -3.580 13.204 1.459 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.595 12.693 0.306 1.00 0.00 C ATOM 1214 CG ARG A 110 0.408 13.028 1.412 1.00 0.00 C ATOM 1215 CD ARG A 110 -0.256 13.680 2.627 1.00 0.00 C ATOM 1216 NE ARG A 110 -1.156 14.776 2.250 1.00 0.00 N ATOM 1217 CZ ARG A 110 -0.763 15.951 1.739 1.00 0.00 C ATOM 1218 NH1 ARG A 110 0.522 16.200 1.497 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -1.665 16.883 1.474 1.00 0.00 N ATOM 0 H ARG A 110 -1.265 10.553 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.606 11.583 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.067 12.199 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.000 13.622 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.916 12.116 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.171 13.698 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.817 12.926 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.514 14.060 3.298 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.157 14.633 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.226 15.491 1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.803 17.100 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.652 16.705 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.373 17.780 1.085 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.679 12.312 -0.614 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.050 12.733 -0.889 1.00 0.00 C ATOM 1235 C ASP A 111 -5.932 11.504 -1.091 1.00 0.00 C ATOM 1236 O ASP A 111 -5.795 10.785 -2.081 1.00 0.00 O ATOM 1237 CB ASP A 111 -5.124 13.642 -2.128 1.00 0.00 C ATOM 1238 CG ASP A 111 -4.677 15.068 -1.841 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -5.455 15.822 -1.214 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -3.563 15.455 -2.257 1.00 0.00 O ATOM 0 H ASP A 111 -3.216 11.863 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.407 13.307 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.501 13.223 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.148 13.655 -2.502 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.843 11.270 -0.150 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.713 10.106 -0.213 1.00 0.00 C ATOM 1247 C GLY A 112 -8.950 10.346 -1.060 1.00 0.00 C ATOM 1248 O GLY A 112 -9.962 9.660 -0.901 1.00 0.00 O ATOM 0 H GLY A 112 -6.995 11.870 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.156 9.263 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.017 9.829 0.797 1.00 0.00 H new ATOM 1252 N SER A 113 -8.867 11.312 -1.969 1.00 0.00 N ATOM 1253 CA SER A 113 -9.985 11.662 -2.838 1.00 0.00 C ATOM 1254 C SER A 113 -10.400 10.465 -3.704 1.00 0.00 C ATOM 1255 O SER A 113 -11.575 10.098 -3.758 1.00 0.00 O ATOM 1256 CB SER A 113 -9.591 12.850 -3.719 1.00 0.00 C ATOM 1257 OG SER A 113 -9.059 13.903 -2.930 1.00 0.00 O ATOM 0 H SER A 113 -8.028 11.871 -2.124 1.00 0.00 H new ATOM 0 HA SER A 113 -10.840 11.939 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.854 12.534 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.462 13.205 -4.270 1.00 0.00 H new ATOM 0 HG SER A 113 -8.811 14.653 -3.510 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.414 9.841 -4.341 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.659 8.710 -5.237 1.00 0.00 C ATOM 1265 C TYR A 114 -9.431 7.384 -4.510 1.00 0.00 C ATOM 1266 O TYR A 114 -9.078 6.379 -5.127 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.764 8.814 -6.486 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.280 8.963 -6.189 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.707 10.222 -6.028 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.451 7.850 -6.082 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.358 10.366 -5.767 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.101 7.988 -5.818 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.560 9.247 -5.664 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.217 9.388 -5.406 1.00 0.00 O ATOM 0 H TYR A 114 -8.431 10.100 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.700 8.741 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.911 7.924 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.090 9.667 -7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.328 11.102 -6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.869 6.862 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.931 11.350 -5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.473 7.114 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.025 10.319 -5.169 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.674 7.386 -3.199 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.462 6.208 -2.360 1.00 0.00 C ATOM 1286 C ALA A 115 -10.245 4.998 -2.874 1.00 0.00 C ATOM 1287 O ALA A 115 -9.680 3.930 -3.099 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.845 6.512 -0.916 1.00 0.00 C ATOM 0 H ALA A 115 -10.021 8.200 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.402 5.958 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.682 5.626 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.231 7.331 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.896 6.797 -0.871 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.544 5.170 -3.073 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.395 4.062 -3.500 1.00 0.00 C ATOM 1296 C TRP A 116 -12.190 3.748 -4.979 1.00 0.00 C ATOM 1297 O TRP A 116 -12.472 2.632 -5.427 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.873 4.356 -3.186 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.425 3.465 -2.108 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.504 2.635 -2.203 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.899 3.292 -0.785 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.689 1.967 -1.018 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.717 2.352 -0.133 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.820 3.845 -0.086 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.486 1.949 1.179 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.592 3.442 1.216 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.424 2.504 1.837 1.00 0.00 C ATOM 0 H TRP A 116 -12.031 6.057 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 116 -12.105 3.175 -2.936 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.975 5.397 -2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.465 4.232 -4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -16.122 2.520 -3.081 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.430 1.293 -0.827 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.177 4.574 -0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.124 1.223 1.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.759 3.858 1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.223 2.212 2.857 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.687 4.722 -5.731 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.361 4.503 -7.135 1.00 0.00 C ATOM 1320 C GLU A 117 -10.175 3.551 -7.249 1.00 0.00 C ATOM 1321 O GLU A 117 -10.264 2.499 -7.893 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.040 5.828 -7.837 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.707 5.664 -9.316 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.268 6.960 -9.968 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -9.056 7.255 -9.958 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.133 7.695 -10.495 1.00 0.00 O ATOM 0 H GLU A 117 -11.497 5.666 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.228 4.060 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.892 6.500 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.198 6.303 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.916 4.922 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.581 5.277 -9.840 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.066 3.915 -6.601 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.874 3.077 -6.602 1.00 0.00 C ATOM 1335 C ILE A 118 -8.201 1.712 -6.001 1.00 0.00 C ATOM 1336 O ILE A 118 -7.792 0.687 -6.534 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.684 3.738 -5.840 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.431 2.844 -5.897 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -7.055 4.046 -4.393 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.246 3.401 -5.130 1.00 0.00 C ATOM 0 H ILE A 118 -8.973 4.782 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.558 2.954 -7.638 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.458 4.681 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.680 1.860 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.144 2.703 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.205 4.506 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.903 4.731 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.323 3.122 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.402 2.716 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.970 4.372 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.514 3.516 -4.080 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.985 1.711 -4.918 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.411 0.468 -4.269 1.00 0.00 C ATOM 1354 C LYS A 119 -10.098 -0.450 -5.279 1.00 0.00 C ATOM 1355 O LYS A 119 -9.771 -1.637 -5.383 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.362 0.768 -3.099 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.768 -0.468 -2.295 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.689 -0.113 -1.126 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.081 -1.346 -0.314 1.00 0.00 C ATOM 1360 NZ LYS A 119 -12.906 -2.300 -1.102 1.00 0.00 N ATOM 0 H LYS A 119 -9.337 2.558 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.526 -0.035 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.884 1.483 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.260 1.247 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.272 -1.178 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.874 -0.963 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.190 0.606 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.588 0.372 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.180 -1.850 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.635 -1.034 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.261 -3.051 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.710 -1.795 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.325 -2.722 -1.854 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.041 0.116 -6.037 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.755 -0.634 -7.068 1.00 0.00 C ATOM 1376 C ASP A 120 -10.772 -1.208 -8.079 1.00 0.00 C ATOM 1377 O ASP A 120 -10.829 -2.391 -8.413 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.785 0.248 -7.784 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.470 -0.477 -8.938 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.227 -1.440 -8.679 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.263 -0.085 -10.109 1.00 0.00 O ATOM 0 H ASP A 120 -11.326 1.092 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.286 -1.451 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.538 0.577 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.292 1.143 -8.163 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.842 -0.374 -8.529 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.868 -0.784 -9.531 1.00 0.00 C ATOM 1388 C PHE A 121 -8.004 -1.931 -9.000 1.00 0.00 C ATOM 1389 O PHE A 121 -7.709 -2.887 -9.720 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.992 0.409 -9.937 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.884 0.047 -10.895 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.137 -0.096 -12.254 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.593 -0.158 -10.433 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.121 -0.435 -13.128 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.578 -0.497 -11.302 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.840 -0.636 -12.650 1.00 0.00 C ATOM 0 H PHE A 121 -9.743 0.591 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.402 -1.139 -10.413 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.622 1.172 -10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.556 0.851 -9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.137 0.059 -12.631 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.380 -0.051 -9.380 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.328 -0.543 -14.183 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.577 -0.654 -10.928 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.045 -0.902 -13.331 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.610 -1.829 -7.735 1.00 0.00 N ATOM 1407 CA LEU A 122 -6.813 -2.866 -7.085 1.00 0.00 C ATOM 1408 C LEU A 122 -7.580 -4.192 -7.045 1.00 0.00 C ATOM 1409 O LEU A 122 -7.005 -5.256 -7.285 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.432 -2.432 -5.660 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.653 -1.104 -5.559 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.429 -0.711 -4.103 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.325 -1.186 -6.306 1.00 0.00 C ATOM 0 H LEU A 122 -7.831 -1.034 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.901 -3.011 -7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.344 -2.345 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.832 -3.221 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.257 -0.329 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.878 0.228 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.392 -0.590 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.857 -1.490 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.798 -0.236 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.715 -1.981 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.512 -1.400 -7.358 1.00 0.00 H new ATOM 1425 N VAL A 123 -8.883 -4.123 -6.752 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.716 -5.328 -6.668 1.00 0.00 C ATOM 1427 C VAL A 123 -10.289 -5.715 -8.039 1.00 0.00 C ATOM 1428 O VAL A 123 -10.931 -6.757 -8.177 1.00 0.00 O ATOM 1429 CB VAL A 123 -10.870 -5.171 -5.642 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.319 -4.860 -4.250 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -11.864 -4.101 -6.083 1.00 0.00 C ATOM 0 H VAL A 123 -9.381 -3.252 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.061 -6.128 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.404 -6.120 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.145 -4.754 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.669 -5.673 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.750 -3.931 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.660 -4.016 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.351 -3.144 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.293 -4.378 -7.046 1.00 0.00 H new ATOM 1441 N SER A 124 -10.044 -4.879 -9.050 1.00 0.00 N ATOM 1442 CA SER A 124 -10.428 -5.182 -10.437 1.00 0.00 C ATOM 1443 C SER A 124 -9.569 -6.307 -11.032 1.00 0.00 C ATOM 1444 O SER A 124 -9.719 -6.657 -12.206 1.00 0.00 O ATOM 1445 CB SER A 124 -10.334 -3.927 -11.316 1.00 0.00 C ATOM 1446 OG SER A 124 -11.292 -2.957 -10.925 1.00 0.00 O ATOM 0 H SER A 124 -9.578 -3.979 -8.936 1.00 0.00 H new ATOM 0 HA SER A 124 -11.463 -5.523 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.332 -3.503 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.491 -4.198 -12.360 1.00 0.00 H new ATOM 0 HG SER A 124 -11.302 -2.883 -9.948 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.667 -6.862 -10.221 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.750 -7.906 -10.675 1.00 0.00 C ATOM 1454 C GLN A 125 -8.499 -9.136 -11.184 1.00 0.00 C ATOM 1455 O GLN A 125 -9.683 -9.331 -10.899 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.800 -8.325 -9.542 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.554 -7.460 -9.417 1.00 0.00 C ATOM 1458 CD GLN A 125 -4.625 -7.939 -8.317 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.605 -9.119 -7.973 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -3.820 -7.036 -7.792 1.00 0.00 N ATOM 0 H GLN A 125 -8.553 -6.603 -9.241 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.174 -7.486 -11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.344 -8.296 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.495 -9.359 -9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.019 -7.460 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.849 -6.430 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -3.868 -6.066 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.149 -7.307 -7.073 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.780 -9.964 -11.926 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.319 -11.220 -12.437 1.00 0.00 C ATOM 1471 C ASP A 126 -8.141 -12.297 -11.377 1.00 0.00 C ATOM 1472 O ASP A 126 -9.045 -13.092 -11.119 1.00 0.00 O ATOM 1473 CB ASP A 126 -7.614 -11.632 -13.737 1.00 0.00 C ATOM 1474 CG ASP A 126 -7.805 -10.614 -14.849 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -8.828 -10.691 -15.565 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -6.942 -9.722 -15.000 1.00 0.00 O ATOM 0 H ASP A 126 -6.811 -9.788 -12.191 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.378 -11.091 -12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.549 -11.760 -13.544 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.997 -12.599 -14.064 1.00 0.00 H new ATOM 1481 N ARG A 127 -6.963 -12.298 -10.755 1.00 0.00 N ATOM 1482 CA ARG A 127 -6.666 -13.212 -9.654 1.00 0.00 C ATOM 1483 C ARG A 127 -7.450 -12.815 -8.403 1.00 0.00 C ATOM 1484 O ARG A 127 -7.695 -13.646 -7.526 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.162 -13.213 -9.340 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.273 -13.535 -10.538 1.00 0.00 C ATOM 1487 CD ARG A 127 -2.798 -13.555 -10.151 1.00 0.00 C ATOM 1488 NE ARG A 127 -1.924 -13.715 -11.315 1.00 0.00 N ATOM 1489 CZ ARG A 127 -0.631 -14.040 -11.247 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -0.062 -14.296 -10.071 1.00 0.00 N ATOM 1491 NH2 ARG A 127 0.091 -14.114 -12.356 1.00 0.00 N ATOM 0 H ARG A 127 -6.195 -11.672 -10.997 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.964 -14.215 -9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -4.884 -12.235 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.967 -13.940 -8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.555 -14.503 -10.951 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.435 -12.795 -11.322 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -2.547 -12.629 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -2.619 -14.370 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 127 -2.330 -13.568 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -0.614 -14.244 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.926 -14.544 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.341 -13.923 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.079 -14.362 -12.306 1.00 0.00 H new ATOM 1505 N CYS A 128 -7.846 -11.537 -8.354 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.556 -10.955 -7.209 1.00 0.00 C ATOM 1507 C CYS A 128 -7.610 -10.761 -6.020 1.00 0.00 C ATOM 1508 O CYS A 128 -6.785 -11.626 -5.718 1.00 0.00 O ATOM 1509 CB CYS A 128 -9.766 -11.814 -6.809 1.00 0.00 C ATOM 1510 SG CYS A 128 -10.941 -12.092 -8.156 1.00 0.00 S ATOM 0 H CYS A 128 -7.682 -10.874 -9.112 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.927 -9.976 -7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -9.411 -12.778 -6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.285 -11.331 -5.981 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.297 -12.448 -9.228 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.729 -9.613 -5.355 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.868 -9.274 -4.225 1.00 0.00 C ATOM 1518 C ALA A 129 -7.684 -8.640 -3.101 1.00 0.00 C ATOM 1519 O ALA A 129 -8.755 -8.077 -3.344 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.756 -8.331 -4.674 1.00 0.00 C ATOM 0 H ALA A 129 -8.419 -8.897 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.416 -10.190 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.121 -8.086 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.157 -8.815 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.194 -7.417 -5.075 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.172 -8.732 -1.875 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.849 -8.172 -0.707 1.00 0.00 C ATOM 1528 C GLU A 130 -7.087 -6.951 -0.197 1.00 0.00 C ATOM 1529 O GLU A 130 -5.874 -7.003 -0.005 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.968 -9.233 0.396 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.702 -8.749 1.643 1.00 0.00 C ATOM 1532 CD GLU A 130 -9.005 -9.874 2.619 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -9.979 -10.621 2.382 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.283 -10.015 3.630 1.00 0.00 O ATOM 0 H GLU A 130 -6.286 -9.192 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.853 -7.860 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.488 -10.103 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.968 -9.562 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.099 -7.992 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.635 -8.269 1.347 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.807 -5.856 0.022 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.195 -4.596 0.435 1.00 0.00 C ATOM 1543 C VAL A 131 -7.535 -4.276 1.891 1.00 0.00 C ATOM 1544 O VAL A 131 -8.710 -4.225 2.260 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.670 -3.425 -0.464 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -6.996 -2.116 -0.060 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.416 -3.735 -1.940 1.00 0.00 C ATOM 0 H VAL A 131 -8.821 -5.815 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.116 -4.712 0.333 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.744 -3.307 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.347 -1.311 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.244 -1.884 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.915 -2.217 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.757 -2.899 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.349 -3.890 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.960 -4.636 -2.221 1.00 0.00 H new ATOM 1557 N THR A 132 -6.511 -4.070 2.714 1.00 0.00 N ATOM 1558 CA THR A 132 -6.709 -3.633 4.095 1.00 0.00 C ATOM 1559 C THR A 132 -6.395 -2.140 4.209 1.00 0.00 C ATOM 1560 O THR A 132 -5.423 -1.658 3.622 1.00 0.00 O ATOM 1561 CB THR A 132 -5.841 -4.446 5.088 1.00 0.00 C ATOM 1562 OG1 THR A 132 -4.466 -4.412 4.691 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.308 -5.895 5.165 1.00 0.00 C ATOM 0 H THR A 132 -5.534 -4.198 2.450 1.00 0.00 H new ATOM 0 HA THR A 132 -7.751 -3.809 4.360 1.00 0.00 H new ATOM 0 HB THR A 132 -5.947 -3.990 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.380 -4.761 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.681 -6.442 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 132 -7.344 -5.926 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 132 -6.233 -6.354 4.179 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.232 -1.409 4.943 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.133 0.049 5.008 1.00 0.00 C ATOM 1573 C LEU A 133 -6.471 0.506 6.307 1.00 0.00 C ATOM 1574 O LEU A 133 -6.584 -0.160 7.338 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.531 0.677 4.892 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.374 0.205 3.692 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.732 0.906 3.673 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.629 0.432 2.378 1.00 0.00 C ATOM 0 H LEU A 133 -7.988 -1.803 5.503 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.512 0.379 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.083 0.464 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.420 1.760 4.832 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.546 -0.866 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.310 0.557 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -11.272 0.679 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.584 1.983 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.246 0.090 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.416 1.494 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.693 -0.127 2.389 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.779 1.642 6.240 1.00 0.00 N ATOM 1591 CA GLU A 134 -5.179 2.271 7.418 1.00 0.00 C ATOM 1592 C GLU A 134 -6.021 3.481 7.816 1.00 0.00 C ATOM 1593 O GLU A 134 -6.398 4.286 6.960 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.726 2.695 7.114 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.883 3.107 8.331 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.268 4.456 8.935 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -3.072 5.497 8.269 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -3.742 4.483 10.092 1.00 0.00 O ATOM 0 H GLU A 134 -5.618 2.152 5.371 1.00 0.00 H new ATOM 0 HA GLU A 134 -5.157 1.560 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.224 1.869 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.750 3.529 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -2.975 2.339 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.834 3.140 8.037 1.00 0.00 H new ATOM 1605 N GLY A 135 -6.313 3.596 9.106 1.00 0.00 N ATOM 1606 CA GLY A 135 -7.121 4.693 9.605 1.00 0.00 C ATOM 1607 C GLY A 135 -8.447 4.213 10.158 1.00 0.00 C ATOM 1608 O GLY A 135 -8.743 3.016 10.125 1.00 0.00 O ATOM 0 H GLY A 135 -6.000 2.941 9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.573 5.222 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -7.300 5.407 8.801 1.00 0.00 H new ATOM 1612 N GLN A 136 -9.237 5.140 10.680 1.00 0.00 N ATOM 1613 CA GLN A 136 -10.552 4.811 11.216 1.00 0.00 C ATOM 1614 C GLN A 136 -11.511 4.479 10.072 1.00 0.00 C ATOM 1615 O GLN A 136 -11.745 5.311 9.194 1.00 0.00 O ATOM 1616 CB GLN A 136 -11.095 5.979 12.047 1.00 0.00 C ATOM 1617 CG GLN A 136 -12.401 5.667 12.771 1.00 0.00 C ATOM 1618 CD GLN A 136 -12.917 6.851 13.566 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -12.572 7.031 14.736 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -13.762 7.654 12.943 1.00 0.00 N ATOM 0 H GLN A 136 -8.991 6.128 10.744 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.462 3.940 11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.344 6.270 12.782 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.250 6.837 11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -13.154 5.365 12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -12.249 4.821 13.441 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -14.021 7.469 11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.155 8.459 13.431 1.00 0.00 H new ATOM 1629 N MET A 137 -12.051 3.261 10.087 1.00 0.00 N ATOM 1630 CA MET A 137 -12.936 2.787 9.023 1.00 0.00 C ATOM 1631 C MET A 137 -14.127 3.732 8.850 1.00 0.00 C ATOM 1632 O MET A 137 -14.991 3.830 9.725 1.00 0.00 O ATOM 1633 CB MET A 137 -13.421 1.362 9.325 1.00 0.00 C ATOM 1634 CG MET A 137 -14.087 0.676 8.139 1.00 0.00 C ATOM 1635 SD MET A 137 -12.983 0.554 6.715 1.00 0.00 S ATOM 1636 CE MET A 137 -13.959 -0.443 5.590 1.00 0.00 C ATOM 0 H MET A 137 -11.890 2.580 10.829 1.00 0.00 H new ATOM 0 HA MET A 137 -12.373 2.772 8.090 1.00 0.00 H new ATOM 0 HB2 MET A 137 -12.572 0.761 9.651 1.00 0.00 H new ATOM 0 HB3 MET A 137 -14.126 1.396 10.156 1.00 0.00 H new ATOM 0 HG2 MET A 137 -14.410 -0.323 8.433 1.00 0.00 H new ATOM 0 HG3 MET A 137 -14.982 1.230 7.856 1.00 0.00 H new ATOM 0 HE1 MET A 137 -13.509 -1.431 5.495 1.00 0.00 H new ATOM 0 HE2 MET A 137 -14.973 -0.542 5.978 1.00 0.00 H new ATOM 0 HE3 MET A 137 -13.990 0.037 4.612 1.00 0.00 H new ATOM 1646 N TYR A 138 -14.152 4.432 7.719 1.00 0.00 N ATOM 1647 CA TYR A 138 -15.175 5.440 7.441 1.00 0.00 C ATOM 1648 C TYR A 138 -16.527 4.791 7.098 1.00 0.00 C ATOM 1649 O TYR A 138 -17.553 5.169 7.667 1.00 0.00 O ATOM 1650 CB TYR A 138 -14.703 6.375 6.314 1.00 0.00 C ATOM 1651 CG TYR A 138 -13.325 6.966 6.570 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -12.175 6.285 6.180 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -13.174 8.188 7.219 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -10.919 6.804 6.426 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -11.919 8.712 7.471 1.00 0.00 C ATOM 1656 CZ TYR A 138 -10.796 8.017 7.072 1.00 0.00 C ATOM 1657 OH TYR A 138 -9.545 8.530 7.332 1.00 0.00 O ATOM 0 H TYR A 138 -13.468 4.318 6.971 1.00 0.00 H new ATOM 0 HA TYR A 138 -15.325 6.033 8.343 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -14.687 5.823 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -15.423 7.185 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -12.267 5.334 5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -14.051 8.736 7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.038 6.263 6.114 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.819 9.661 7.978 1.00 0.00 H new ATOM 0 HH TYR A 138 -9.634 9.391 7.791 1.00 0.00 H new ATOM 1667 N PRO A 139 -16.569 3.810 6.161 1.00 0.00 N ATOM 1668 CA PRO A 139 -17.810 3.098 5.843 1.00 0.00 C ATOM 1669 C PRO A 139 -18.143 2.028 6.886 1.00 0.00 C ATOM 1670 O PRO A 139 -17.329 1.732 7.769 1.00 0.00 O ATOM 1671 CB PRO A 139 -17.510 2.468 4.480 1.00 0.00 C ATOM 1672 CG PRO A 139 -16.041 2.222 4.497 1.00 0.00 C ATOM 1673 CD PRO A 139 -15.437 3.324 5.336 1.00 0.00 C ATOM 0 HA PRO A 139 -18.679 3.756 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -18.066 1.541 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.791 3.134 3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -15.815 1.243 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -15.633 2.234 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -14.622 2.952 5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -15.026 4.119 4.714 1.00 0.00 H new ATOM 1681 N GLY A 140 -19.339 1.454 6.780 1.00 0.00 N ATOM 1682 CA GLY A 140 -19.769 0.433 7.721 1.00 0.00 C ATOM 1683 C GLY A 140 -18.896 -0.808 7.660 1.00 0.00 C ATOM 1684 O GLY A 140 -18.332 -1.235 8.674 1.00 0.00 O ATOM 0 H GLY A 140 -20.021 1.679 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -19.748 0.841 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -20.803 0.159 7.510 1.00 0.00 H new ATOM 1688 N LYS A 141 -18.787 -1.386 6.467 1.00 0.00 N ATOM 1689 CA LYS A 141 -17.954 -2.568 6.237 1.00 0.00 C ATOM 1690 C LYS A 141 -17.198 -2.431 4.918 1.00 0.00 C ATOM 1691 O LYS A 141 -17.556 -1.604 4.075 1.00 0.00 O ATOM 1692 CB LYS A 141 -18.814 -3.843 6.216 1.00 0.00 C ATOM 1693 CG LYS A 141 -19.612 -4.069 7.498 1.00 0.00 C ATOM 1694 CD LYS A 141 -20.380 -5.385 7.470 1.00 0.00 C ATOM 1695 CE LYS A 141 -21.194 -5.586 8.744 1.00 0.00 C ATOM 1696 NZ LYS A 141 -21.836 -6.925 8.783 1.00 0.00 N ATOM 0 H LYS A 141 -19.271 -1.052 5.634 1.00 0.00 H new ATOM 0 HA LYS A 141 -17.237 -2.645 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -19.504 -3.791 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -18.167 -4.704 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -18.935 -4.063 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -20.311 -3.245 7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -21.045 -5.401 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -19.681 -6.213 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -20.545 -5.469 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -21.960 -4.814 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -22.380 -7.024 9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -22.474 -7.028 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -21.104 -7.662 8.744 1.00 0.00 H new TER 1710 LYS A 141