USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 981 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 88 LYS NZ :NH3+ -170:sc= 1.88 (180deg=1.19) USER MOD Set 1.2: A 93 TYR OH : rot 30:sc= 0.7 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.00816 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -120:sc= 0.291 USER MOD Single : A 12 HIS : no HD1:sc= 0.237 K(o=0.24,f=-2.4!) USER MOD Single : A 16 THR OG1 : rot -84:sc= 1.62 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -137:sc= -0.225 (180deg=-2.37) USER MOD Single : A 33 TYR OH : rot 13:sc= 1.28 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -170:sc= -0.444 (180deg=-0.612) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.11) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.987) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00444 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 170:sc= 0.284 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.11) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -169:sc= -0.0451 (180deg=-0.448) USER MOD Single : A 74 CYS SG : rot 86:sc= 0.663 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= -0.267 (180deg=-0.267) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= 1.22 (180deg=1.19) USER MOD Single : A 98 SER OG : rot 148:sc= 1.81 USER MOD Single : A 109 THR OG1 : rot -29:sc= 0.711 USER MOD Single : A 110 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.38) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 172:sc= 1.21 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.450 -1.332 -1.624 1.00 0.00 N ATOM 2 CA MET A 1 7.803 -0.056 -2.021 1.00 0.00 C ATOM 3 C MET A 1 8.297 1.086 -1.129 1.00 0.00 C ATOM 4 O MET A 1 8.415 0.919 0.088 1.00 0.00 O ATOM 5 CB MET A 1 6.261 -0.131 -1.967 1.00 0.00 C ATOM 6 CG MET A 1 5.655 -0.892 -3.155 1.00 0.00 C ATOM 7 SD MET A 1 3.842 -0.822 -3.222 1.00 0.00 S ATOM 8 CE MET A 1 3.557 -1.758 -4.750 1.00 0.00 C ATOM 0 H1 MET A 1 7.815 -2.126 -1.843 1.00 0.00 H new ATOM 0 H2 MET A 1 9.341 -1.447 -2.148 1.00 0.00 H new ATOM 0 H3 MET A 1 8.648 -1.318 -0.603 1.00 0.00 H new ATOM 0 HA MET A 1 8.084 0.134 -3.057 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.959 -0.617 -1.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.854 0.880 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.060 -0.483 -4.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.967 -1.935 -3.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.487 -1.815 -4.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.053 -1.257 -5.581 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.960 -2.765 -4.640 1.00 0.00 H new ATOM 20 N ALA A 2 8.579 2.254 -1.725 1.00 0.00 N ATOM 21 CA ALA A 2 8.942 3.465 -0.990 1.00 0.00 C ATOM 22 C ALA A 2 7.811 3.844 -0.026 1.00 0.00 C ATOM 23 O ALA A 2 6.655 3.915 -0.444 1.00 0.00 O ATOM 24 CB ALA A 2 9.212 4.609 -1.979 1.00 0.00 C ATOM 0 H ALA A 2 8.560 2.381 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 2 9.847 3.282 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.482 5.510 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.030 4.330 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.315 4.799 -2.569 1.00 0.00 H new ATOM 30 N SER A 3 8.141 4.156 1.226 1.00 0.00 N ATOM 31 CA SER A 3 7.191 4.461 2.300 1.00 0.00 C ATOM 32 C SER A 3 6.791 5.950 2.286 1.00 0.00 C ATOM 33 O SER A 3 6.606 6.576 3.331 1.00 0.00 O ATOM 34 CB SER A 3 7.813 4.047 3.644 1.00 0.00 C ATOM 35 OG SER A 3 8.313 2.717 3.595 1.00 0.00 O ATOM 0 H SER A 3 9.112 4.206 1.534 1.00 0.00 H new ATOM 0 HA SER A 3 6.272 3.895 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.621 4.732 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.065 4.128 4.433 1.00 0.00 H new ATOM 0 HG SER A 3 8.704 2.482 4.463 1.00 0.00 H new ATOM 41 N VAL A 4 6.773 6.546 1.095 1.00 0.00 N ATOM 42 CA VAL A 4 6.577 7.971 0.852 1.00 0.00 C ATOM 43 C VAL A 4 5.215 8.496 1.330 1.00 0.00 C ATOM 44 O VAL A 4 5.108 9.669 1.689 1.00 0.00 O ATOM 45 CB VAL A 4 6.804 8.263 -0.647 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.305 8.416 -0.916 1.00 0.00 C ATOM 47 CG2 VAL A 4 6.201 7.216 -1.609 1.00 0.00 C ATOM 0 H VAL A 4 6.901 6.020 0.231 1.00 0.00 H new ATOM 0 HA VAL A 4 7.311 8.512 1.450 1.00 0.00 H new ATOM 0 HB VAL A 4 6.270 9.190 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.466 8.622 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.699 9.240 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.819 7.494 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.410 7.505 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.644 6.240 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.123 7.163 -1.459 1.00 0.00 H new ATOM 57 N GLU A 5 4.180 7.656 1.344 1.00 0.00 N ATOM 58 CA GLU A 5 2.842 8.026 1.784 1.00 0.00 C ATOM 59 C GLU A 5 2.824 8.403 3.277 1.00 0.00 C ATOM 60 O GLU A 5 3.625 7.896 4.068 1.00 0.00 O ATOM 61 CB GLU A 5 1.850 6.891 1.456 1.00 0.00 C ATOM 62 CG GLU A 5 1.952 5.615 2.318 1.00 0.00 C ATOM 63 CD GLU A 5 3.288 4.852 2.224 1.00 0.00 C ATOM 64 OE1 GLU A 5 3.943 4.888 1.157 1.00 0.00 O ATOM 65 OE2 GLU A 5 3.665 4.184 3.214 1.00 0.00 O ATOM 0 H GLU A 5 4.253 6.684 1.044 1.00 0.00 H new ATOM 0 HA GLU A 5 2.526 8.917 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.838 7.285 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.988 6.609 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.782 5.887 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.147 4.939 2.030 1.00 0.00 H new ATOM 72 N ARG A 6 1.873 9.259 3.678 1.00 0.00 N ATOM 73 CA ARG A 6 1.593 9.545 5.088 1.00 0.00 C ATOM 74 C ARG A 6 1.163 8.247 5.768 1.00 0.00 C ATOM 75 O ARG A 6 1.688 7.883 6.820 1.00 0.00 O ATOM 76 CB ARG A 6 0.528 10.662 5.160 1.00 0.00 C ATOM 77 CG ARG A 6 -0.090 10.922 6.547 1.00 0.00 C ATOM 78 CD ARG A 6 -1.372 10.106 6.788 1.00 0.00 C ATOM 79 NE ARG A 6 -1.974 10.426 8.093 1.00 0.00 N ATOM 80 CZ ARG A 6 -3.064 9.859 8.630 1.00 0.00 C ATOM 81 NH1 ARG A 6 -3.756 8.920 7.987 1.00 0.00 N ATOM 82 NH2 ARG A 6 -3.466 10.245 9.837 1.00 0.00 N ATOM 0 H ARG A 6 1.276 9.773 3.030 1.00 0.00 H new ATOM 0 HA ARG A 6 2.473 9.909 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.979 11.589 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.276 10.414 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.641 10.678 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.316 11.984 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.090 10.311 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.142 9.042 6.743 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.516 11.152 8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.461 8.614 7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.581 8.507 8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.947 10.964 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.293 9.823 10.258 1.00 0.00 H new ATOM 96 N ASP A 7 0.222 7.553 5.134 1.00 0.00 N ATOM 97 CA ASP A 7 -0.256 6.211 5.430 1.00 0.00 C ATOM 98 C ASP A 7 -1.030 5.787 4.174 1.00 0.00 C ATOM 99 O ASP A 7 -1.225 6.602 3.261 1.00 0.00 O ATOM 100 CB ASP A 7 -1.154 6.217 6.683 1.00 0.00 C ATOM 101 CG ASP A 7 -1.622 4.818 7.124 1.00 0.00 C ATOM 102 OD1 ASP A 7 -0.953 3.812 6.796 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.650 4.722 7.830 1.00 0.00 O ATOM 0 H ASP A 7 -0.266 7.952 4.332 1.00 0.00 H new ATOM 0 HA ASP A 7 0.554 5.517 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.610 6.683 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.029 6.837 6.488 1.00 0.00 H new ATOM 108 N GLU A 8 -1.516 4.549 4.113 1.00 0.00 N ATOM 109 CA GLU A 8 -2.302 4.027 2.994 1.00 0.00 C ATOM 110 C GLU A 8 -3.587 4.829 2.718 1.00 0.00 C ATOM 111 O GLU A 8 -4.234 4.603 1.698 1.00 0.00 O ATOM 112 CB GLU A 8 -2.592 2.530 3.202 1.00 0.00 C ATOM 113 CG GLU A 8 -3.564 2.236 4.356 1.00 0.00 C ATOM 114 CD GLU A 8 -3.804 0.723 4.514 1.00 0.00 C ATOM 115 OE1 GLU A 8 -3.046 0.051 5.250 1.00 0.00 O ATOM 116 OE2 GLU A 8 -4.766 0.188 3.918 1.00 0.00 O ATOM 0 H GLU A 8 -1.372 3.865 4.856 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.696 4.146 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.003 2.119 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.652 2.011 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.163 2.642 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.513 2.740 4.172 1.00 0.00 H new ATOM 123 N THR A 9 -3.944 5.791 3.576 1.00 0.00 N ATOM 124 CA THR A 9 -5.010 6.757 3.345 1.00 0.00 C ATOM 125 C THR A 9 -4.829 7.458 1.992 1.00 0.00 C ATOM 126 O THR A 9 -5.805 7.644 1.260 1.00 0.00 O ATOM 127 CB THR A 9 -5.006 7.803 4.482 1.00 0.00 C ATOM 128 OG1 THR A 9 -4.447 7.293 5.683 1.00 0.00 O ATOM 129 CG2 THR A 9 -6.404 8.346 4.780 1.00 0.00 C ATOM 0 H THR A 9 -3.481 5.918 4.476 1.00 0.00 H new ATOM 0 HA THR A 9 -5.964 6.230 3.331 1.00 0.00 H new ATOM 0 HB THR A 9 -4.380 8.618 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.115 7.335 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.346 9.077 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.807 8.822 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.057 7.526 5.080 1.00 0.00 H new ATOM 137 N ARG A 10 -3.588 7.826 1.630 1.00 0.00 N ATOM 138 CA ARG A 10 -3.355 8.509 0.358 1.00 0.00 C ATOM 139 C ARG A 10 -3.627 7.554 -0.790 1.00 0.00 C ATOM 140 O ARG A 10 -4.322 7.927 -1.727 1.00 0.00 O ATOM 141 CB ARG A 10 -1.936 9.081 0.236 1.00 0.00 C ATOM 142 CG ARG A 10 -1.594 10.122 1.314 1.00 0.00 C ATOM 143 CD ARG A 10 -0.379 10.959 0.883 1.00 0.00 C ATOM 144 NE ARG A 10 -0.775 12.168 0.140 1.00 0.00 N ATOM 145 CZ ARG A 10 -0.900 13.415 0.620 1.00 0.00 C ATOM 146 NH1 ARG A 10 -0.713 13.713 1.900 1.00 0.00 N ATOM 147 NH2 ARG A 10 -1.211 14.422 -0.179 1.00 0.00 N ATOM 0 H ARG A 10 -2.751 7.664 2.190 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.041 9.355 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.218 8.263 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.821 9.538 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.451 10.774 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.382 9.621 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.194 11.247 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.278 10.351 0.261 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.977 12.043 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.463 12.979 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.819 14.676 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.359 14.256 -1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.303 15.364 0.200 1.00 0.00 H new ATOM 161 N GLU A 11 -3.127 6.319 -0.717 1.00 0.00 N ATOM 162 CA GLU A 11 -3.323 5.338 -1.781 1.00 0.00 C ATOM 163 C GLU A 11 -4.807 5.004 -1.934 1.00 0.00 C ATOM 164 O GLU A 11 -5.297 4.894 -3.058 1.00 0.00 O ATOM 165 CB GLU A 11 -2.485 4.079 -1.520 1.00 0.00 C ATOM 166 CG GLU A 11 -0.987 4.399 -1.598 1.00 0.00 C ATOM 167 CD GLU A 11 -0.135 3.129 -1.588 1.00 0.00 C ATOM 168 OE1 GLU A 11 0.048 2.515 -2.664 1.00 0.00 O ATOM 169 OE2 GLU A 11 0.439 2.787 -0.531 1.00 0.00 O ATOM 0 H GLU A 11 -2.581 5.975 0.073 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.981 5.770 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.725 3.674 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.736 3.311 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.783 4.967 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.706 5.032 -0.756 1.00 0.00 H new ATOM 176 N HIS A 12 -5.537 4.917 -0.819 1.00 0.00 N ATOM 177 CA HIS A 12 -6.975 4.717 -0.821 1.00 0.00 C ATOM 178 C HIS A 12 -7.670 5.864 -1.560 1.00 0.00 C ATOM 179 O HIS A 12 -8.510 5.601 -2.419 1.00 0.00 O ATOM 180 CB HIS A 12 -7.466 4.561 0.628 1.00 0.00 C ATOM 181 CG HIS A 12 -8.947 4.316 0.784 1.00 0.00 C ATOM 182 ND1 HIS A 12 -9.761 3.564 -0.037 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.730 4.776 1.809 1.00 0.00 C ATOM 184 CE1 HIS A 12 -11.001 3.577 0.479 1.00 0.00 C ATOM 185 NE2 HIS A 12 -11.041 4.326 1.598 1.00 0.00 N ATOM 0 H HIS A 12 -5.135 4.985 0.116 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.228 3.803 -1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.927 3.734 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.203 5.462 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.395 5.382 2.638 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.849 3.059 0.055 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.859 4.525 2.174 1.00 0.00 H new ATOM 193 N ARG A 13 -7.327 7.129 -1.289 1.00 0.00 N ATOM 194 CA ARG A 13 -7.962 8.272 -1.960 1.00 0.00 C ATOM 195 C ARG A 13 -7.490 8.452 -3.400 1.00 0.00 C ATOM 196 O ARG A 13 -8.275 8.910 -4.227 1.00 0.00 O ATOM 197 CB ARG A 13 -7.782 9.556 -1.133 1.00 0.00 C ATOM 198 CG ARG A 13 -8.621 9.529 0.158 1.00 0.00 C ATOM 199 CD ARG A 13 -10.134 9.670 -0.098 1.00 0.00 C ATOM 200 NE ARG A 13 -10.907 9.245 1.082 1.00 0.00 N ATOM 201 CZ ARG A 13 -11.349 8.003 1.326 1.00 0.00 C ATOM 202 NH1 ARG A 13 -11.316 7.055 0.393 1.00 0.00 N ATOM 203 NH2 ARG A 13 -11.817 7.697 2.532 1.00 0.00 N ATOM 0 H ARG A 13 -6.612 7.388 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.028 8.054 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.729 9.680 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.069 10.419 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.434 8.594 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.293 10.336 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.371 10.706 -0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.419 9.068 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.126 9.960 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.948 7.265 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.659 6.118 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.838 8.405 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.155 6.754 2.724 1.00 0.00 H new ATOM 217 N ILE A 14 -6.261 8.064 -3.736 1.00 0.00 N ATOM 218 CA ILE A 14 -5.809 7.997 -5.122 1.00 0.00 C ATOM 219 C ILE A 14 -6.758 7.036 -5.851 1.00 0.00 C ATOM 220 O ILE A 14 -7.356 7.403 -6.863 1.00 0.00 O ATOM 221 CB ILE A 14 -4.313 7.584 -5.168 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.409 8.766 -4.735 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.893 7.075 -6.560 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.007 8.363 -4.247 1.00 0.00 C ATOM 0 H ILE A 14 -5.553 7.788 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.849 8.961 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.186 6.760 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.302 9.450 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.911 9.316 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.839 6.798 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.493 6.204 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.050 7.862 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.449 9.256 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.098 7.705 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.480 7.842 -5.046 1.00 0.00 H new ATOM 236 N GLU A 15 -6.947 5.832 -5.308 1.00 0.00 N ATOM 237 CA GLU A 15 -7.751 4.794 -5.933 1.00 0.00 C ATOM 238 C GLU A 15 -9.232 5.187 -6.018 1.00 0.00 C ATOM 239 O GLU A 15 -9.859 4.945 -7.045 1.00 0.00 O ATOM 240 CB GLU A 15 -7.554 3.491 -5.142 1.00 0.00 C ATOM 241 CG GLU A 15 -8.384 2.314 -5.673 1.00 0.00 C ATOM 242 CD GLU A 15 -8.068 1.909 -7.127 1.00 0.00 C ATOM 243 OE1 GLU A 15 -6.896 1.984 -7.558 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.992 1.453 -7.838 1.00 0.00 O ATOM 0 H GLU A 15 -6.541 5.553 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.422 4.653 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.499 3.219 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.816 3.667 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.222 1.452 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.441 2.571 -5.603 1.00 0.00 H new ATOM 251 N THR A 16 -9.794 5.789 -4.966 1.00 0.00 N ATOM 252 CA THR A 16 -11.233 6.053 -4.861 1.00 0.00 C ATOM 253 C THR A 16 -11.640 7.427 -5.419 1.00 0.00 C ATOM 254 O THR A 16 -12.824 7.771 -5.384 1.00 0.00 O ATOM 255 CB THR A 16 -11.731 5.832 -3.416 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.965 6.534 -2.452 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.710 4.345 -3.048 1.00 0.00 C ATOM 0 H THR A 16 -9.260 6.109 -4.158 1.00 0.00 H new ATOM 0 HA THR A 16 -11.735 5.326 -5.500 1.00 0.00 H new ATOM 0 HB THR A 16 -12.750 6.218 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.170 6.010 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.065 4.218 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.358 3.793 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.692 3.965 -3.128 1.00 0.00 H new ATOM 265 N GLU A 17 -10.698 8.200 -5.972 1.00 0.00 N ATOM 266 CA GLU A 17 -11.008 9.489 -6.580 1.00 0.00 C ATOM 267 C GLU A 17 -10.122 9.767 -7.791 1.00 0.00 C ATOM 268 O GLU A 17 -10.635 9.818 -8.906 1.00 0.00 O ATOM 269 CB GLU A 17 -10.916 10.600 -5.516 1.00 0.00 C ATOM 270 CG GLU A 17 -11.326 11.970 -6.070 1.00 0.00 C ATOM 271 CD GLU A 17 -11.387 13.034 -4.959 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.336 13.609 -4.595 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.493 13.317 -4.445 1.00 0.00 O ATOM 0 H GLU A 17 -9.710 7.949 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.031 9.466 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.556 10.345 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.895 10.654 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.615 12.282 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.300 11.891 -6.553 1.00 0.00 H new ATOM 280 N ILE A 18 -8.807 9.901 -7.598 1.00 0.00 N ATOM 281 CA ILE A 18 -7.905 10.393 -8.641 1.00 0.00 C ATOM 282 C ILE A 18 -7.912 9.480 -9.877 1.00 0.00 C ATOM 283 O ILE A 18 -7.958 9.989 -10.997 1.00 0.00 O ATOM 284 CB ILE A 18 -6.492 10.660 -8.066 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.600 11.632 -6.861 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.555 11.240 -9.141 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.265 12.087 -6.262 1.00 0.00 C ATOM 0 H ILE A 18 -8.341 9.673 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.275 11.355 -8.996 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.067 9.714 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.157 12.514 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.185 11.149 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.570 11.417 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.467 10.534 -9.966 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.963 12.181 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.452 12.763 -5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.710 11.218 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.682 12.604 -7.024 1.00 0.00 H new ATOM 299 N ILE A 19 -7.923 8.154 -9.701 1.00 0.00 N ATOM 300 CA ILE A 19 -7.880 7.195 -10.807 1.00 0.00 C ATOM 301 C ILE A 19 -9.057 6.206 -10.772 1.00 0.00 C ATOM 302 O ILE A 19 -9.027 5.194 -11.469 1.00 0.00 O ATOM 303 CB ILE A 19 -6.499 6.524 -10.871 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.172 5.842 -9.533 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.418 7.545 -11.282 1.00 0.00 C ATOM 306 CD1 ILE A 19 -4.983 4.915 -9.682 1.00 0.00 C ATOM 0 H ILE A 19 -7.962 7.715 -8.781 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.012 7.736 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.517 5.748 -11.636 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.958 6.597 -8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.038 5.278 -9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.447 7.051 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.658 7.953 -12.264 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.384 8.353 -10.551 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.768 4.442 -8.724 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.210 4.148 -10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.114 5.487 -10.007 1.00 0.00 H new ATOM 318 N VAL A 20 -10.108 6.490 -9.996 1.00 0.00 N ATOM 319 CA VAL A 20 -11.271 5.607 -9.857 1.00 0.00 C ATOM 320 C VAL A 20 -11.934 5.292 -11.210 1.00 0.00 C ATOM 321 O VAL A 20 -12.419 4.179 -11.420 1.00 0.00 O ATOM 322 CB VAL A 20 -12.246 6.209 -8.821 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.070 7.399 -9.338 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.188 5.151 -8.231 1.00 0.00 C ATOM 0 H VAL A 20 -10.176 7.344 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.940 4.638 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.593 6.593 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.727 7.758 -8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.398 8.201 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.670 7.083 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.855 5.620 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.778 4.702 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.601 4.378 -7.735 1.00 0.00 H new ATOM 334 N ASP A 21 -11.934 6.256 -12.139 1.00 0.00 N ATOM 335 CA ASP A 21 -12.556 6.123 -13.459 1.00 0.00 C ATOM 336 C ASP A 21 -11.603 5.496 -14.488 1.00 0.00 C ATOM 337 O ASP A 21 -12.025 5.127 -15.586 1.00 0.00 O ATOM 338 CB ASP A 21 -13.004 7.515 -13.928 1.00 0.00 C ATOM 339 CG ASP A 21 -13.759 7.473 -15.268 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.862 6.885 -15.330 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.286 8.085 -16.253 1.00 0.00 O ATOM 0 H ASP A 21 -11.494 7.164 -11.991 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.412 5.453 -13.375 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.645 7.962 -13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.131 8.159 -14.027 1.00 0.00 H new ATOM 346 N ALA A 22 -10.312 5.385 -14.154 1.00 0.00 N ATOM 347 CA ALA A 22 -9.275 4.924 -15.067 1.00 0.00 C ATOM 348 C ALA A 22 -9.244 3.391 -15.164 1.00 0.00 C ATOM 349 O ALA A 22 -9.890 2.690 -14.382 1.00 0.00 O ATOM 350 CB ALA A 22 -7.922 5.467 -14.600 1.00 0.00 C ATOM 0 H ALA A 22 -9.959 5.618 -13.226 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.496 5.300 -16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.140 5.126 -15.278 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.949 6.557 -14.595 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.712 5.105 -13.593 1.00 0.00 H new ATOM 356 N GLU A 23 -8.443 2.873 -16.104 1.00 0.00 N ATOM 357 CA GLU A 23 -8.275 1.439 -16.342 1.00 0.00 C ATOM 358 C GLU A 23 -6.808 1.115 -16.645 1.00 0.00 C ATOM 359 O GLU A 23 -6.246 0.207 -16.031 1.00 0.00 O ATOM 360 CB GLU A 23 -9.163 0.976 -17.513 1.00 0.00 C ATOM 361 CG GLU A 23 -10.667 1.065 -17.217 1.00 0.00 C ATOM 362 CD GLU A 23 -11.502 0.463 -18.361 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.841 1.186 -19.326 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.849 -0.739 -18.302 1.00 0.00 O ATOM 0 H GLU A 23 -7.884 3.452 -16.731 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.577 0.908 -15.439 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.938 1.582 -18.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.911 -0.054 -17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.888 0.540 -16.288 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.949 2.107 -17.069 1.00 0.00 H new ATOM 371 N ASP A 24 -6.151 1.890 -17.514 1.00 0.00 N ATOM 372 CA ASP A 24 -4.794 1.624 -18.008 1.00 0.00 C ATOM 373 C ASP A 24 -3.970 2.906 -17.940 1.00 0.00 C ATOM 374 O ASP A 24 -4.510 3.970 -17.644 1.00 0.00 O ATOM 375 CB ASP A 24 -4.857 1.073 -19.444 1.00 0.00 C ATOM 376 CG ASP A 24 -3.551 0.427 -19.946 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.623 0.184 -19.142 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.454 0.154 -21.163 1.00 0.00 O ATOM 0 H ASP A 24 -6.557 2.741 -17.904 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.313 0.872 -17.383 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.656 0.334 -19.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.127 1.886 -20.119 1.00 0.00 H new ATOM 383 N LYS A 25 -2.669 2.816 -18.206 1.00 0.00 N ATOM 384 CA LYS A 25 -1.683 3.878 -17.984 1.00 0.00 C ATOM 385 C LYS A 25 -2.089 5.244 -18.534 1.00 0.00 C ATOM 386 O LYS A 25 -1.896 6.247 -17.850 1.00 0.00 O ATOM 387 CB LYS A 25 -0.302 3.435 -18.497 1.00 0.00 C ATOM 388 CG LYS A 25 -0.222 3.137 -20.006 1.00 0.00 C ATOM 389 CD LYS A 25 1.152 2.596 -20.432 1.00 0.00 C ATOM 390 CE LYS A 25 1.435 1.211 -19.830 1.00 0.00 C ATOM 391 NZ LYS A 25 2.724 0.645 -20.302 1.00 0.00 N ATOM 0 H LYS A 25 -2.254 1.970 -18.597 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.631 4.029 -16.906 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.422 4.214 -18.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.000 2.541 -17.951 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.991 2.411 -20.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.438 4.048 -20.564 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.197 2.535 -21.519 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.929 3.293 -20.120 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.450 1.286 -18.743 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.624 0.531 -20.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.872 -0.289 -19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.702 0.548 -21.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.502 1.279 -20.030 1.00 0.00 H new ATOM 405 N GLU A 26 -2.679 5.293 -19.730 1.00 0.00 N ATOM 406 CA GLU A 26 -3.065 6.561 -20.345 1.00 0.00 C ATOM 407 C GLU A 26 -4.228 7.169 -19.560 1.00 0.00 C ATOM 408 O GLU A 26 -4.218 8.356 -19.241 1.00 0.00 O ATOM 409 CB GLU A 26 -3.453 6.350 -21.817 1.00 0.00 C ATOM 410 CG GLU A 26 -2.239 6.006 -22.691 1.00 0.00 C ATOM 411 CD GLU A 26 -2.640 5.812 -24.164 1.00 0.00 C ATOM 412 OE1 GLU A 26 -2.624 6.793 -24.942 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.956 4.669 -24.569 1.00 0.00 O ATOM 0 H GLU A 26 -2.899 4.469 -20.290 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.219 7.248 -20.318 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.188 5.548 -21.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.930 7.253 -22.199 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.499 6.802 -22.616 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.767 5.097 -22.319 1.00 0.00 H new ATOM 420 N GLU A 27 -5.212 6.346 -19.190 1.00 0.00 N ATOM 421 CA GLU A 27 -6.376 6.790 -18.438 1.00 0.00 C ATOM 422 C GLU A 27 -5.967 7.177 -17.015 1.00 0.00 C ATOM 423 O GLU A 27 -6.508 8.126 -16.455 1.00 0.00 O ATOM 424 CB GLU A 27 -7.441 5.681 -18.405 1.00 0.00 C ATOM 425 CG GLU A 27 -7.852 5.150 -19.788 1.00 0.00 C ATOM 426 CD GLU A 27 -8.368 6.252 -20.734 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.341 6.958 -20.385 1.00 0.00 O ATOM 428 OE2 GLU A 27 -7.828 6.399 -21.853 1.00 0.00 O ATOM 0 H GLU A 27 -5.219 5.349 -19.407 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.800 7.665 -18.930 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.064 4.850 -17.808 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.328 6.061 -17.898 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.997 4.656 -20.249 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.628 4.394 -19.664 1.00 0.00 H new ATOM 435 N ARG A 28 -5.003 6.469 -16.420 1.00 0.00 N ATOM 436 CA ARG A 28 -4.527 6.744 -15.065 1.00 0.00 C ATOM 437 C ARG A 28 -3.761 8.062 -15.048 1.00 0.00 C ATOM 438 O ARG A 28 -3.991 8.879 -14.157 1.00 0.00 O ATOM 439 CB ARG A 28 -3.675 5.563 -14.561 1.00 0.00 C ATOM 440 CG ARG A 28 -4.528 4.301 -14.328 1.00 0.00 C ATOM 441 CD ARG A 28 -3.676 3.042 -14.141 1.00 0.00 C ATOM 442 NE ARG A 28 -4.517 1.829 -14.123 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.929 1.136 -13.054 1.00 0.00 C ATOM 444 NH1 ARG A 28 -4.583 1.496 -11.820 1.00 0.00 N ATOM 445 NH2 ARG A 28 -5.702 0.074 -13.248 1.00 0.00 N ATOM 0 H ARG A 28 -4.529 5.685 -16.869 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.372 6.848 -14.384 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.892 5.344 -15.287 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.179 5.843 -13.632 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.153 4.447 -13.447 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.199 4.159 -15.175 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.946 2.970 -14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.116 3.114 -13.209 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.820 1.478 -15.031 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.992 2.315 -11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.909 0.953 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.968 -0.197 -14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.029 -0.471 -12.450 1.00 0.00 H new ATOM 459 N ALA A 29 -2.916 8.313 -16.052 1.00 0.00 N ATOM 460 CA ALA A 29 -2.258 9.599 -16.215 1.00 0.00 C ATOM 461 C ALA A 29 -3.296 10.708 -16.394 1.00 0.00 C ATOM 462 O ALA A 29 -3.147 11.776 -15.808 1.00 0.00 O ATOM 463 CB ALA A 29 -1.303 9.542 -17.409 1.00 0.00 C ATOM 0 H ALA A 29 -2.674 7.629 -16.769 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.679 9.824 -15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.812 10.508 -17.528 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.552 8.771 -17.238 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.865 9.307 -18.313 1.00 0.00 H new ATOM 469 N MET A 30 -4.367 10.465 -17.156 1.00 0.00 N ATOM 470 CA MET A 30 -5.444 11.437 -17.312 1.00 0.00 C ATOM 471 C MET A 30 -6.217 11.656 -16.011 1.00 0.00 C ATOM 472 O MET A 30 -6.579 12.793 -15.718 1.00 0.00 O ATOM 473 CB MET A 30 -6.370 11.037 -18.466 1.00 0.00 C ATOM 474 CG MET A 30 -5.703 11.260 -19.830 1.00 0.00 C ATOM 475 SD MET A 30 -5.311 12.993 -20.200 1.00 0.00 S ATOM 476 CE MET A 30 -3.550 13.113 -19.758 1.00 0.00 C ATOM 0 H MET A 30 -4.508 9.598 -17.675 1.00 0.00 H new ATOM 0 HA MET A 30 -4.990 12.396 -17.562 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.648 9.988 -18.363 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.291 11.617 -18.412 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.784 10.676 -19.871 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.360 10.875 -20.609 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.374 14.041 -19.214 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.274 12.266 -19.129 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.946 13.104 -20.665 1.00 0.00 H new ATOM 486 N GLY A 31 -6.426 10.617 -15.202 1.00 0.00 N ATOM 487 CA GLY A 31 -7.034 10.746 -13.887 1.00 0.00 C ATOM 488 C GLY A 31 -6.224 11.714 -13.028 1.00 0.00 C ATOM 489 O GLY A 31 -6.756 12.724 -12.562 1.00 0.00 O ATOM 0 H GLY A 31 -6.175 9.659 -15.446 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.059 11.104 -13.985 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.082 9.771 -13.403 1.00 0.00 H new ATOM 493 N TRP A 32 -4.913 11.470 -12.913 1.00 0.00 N ATOM 494 CA TRP A 32 -4.006 12.396 -12.250 1.00 0.00 C ATOM 495 C TRP A 32 -4.111 13.795 -12.857 1.00 0.00 C ATOM 496 O TRP A 32 -4.275 14.760 -12.112 1.00 0.00 O ATOM 497 CB TRP A 32 -2.566 11.873 -12.312 1.00 0.00 C ATOM 498 CG TRP A 32 -2.208 10.869 -11.261 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.087 9.532 -11.424 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.870 11.129 -9.867 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.686 8.950 -10.238 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.540 9.891 -9.238 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.792 12.298 -9.077 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.152 9.825 -7.892 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.385 12.240 -7.731 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.062 11.006 -7.141 1.00 0.00 C ATOM 0 H TRP A 32 -4.460 10.631 -13.276 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.296 12.469 -11.202 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.401 11.425 -13.292 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.885 12.720 -12.230 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.276 8.999 -12.344 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.519 7.951 -10.116 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.049 13.252 -9.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.924 8.872 -7.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.321 13.148 -7.149 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.745 10.967 -6.109 1.00 0.00 H new ATOM 517 N TYR A 33 -4.059 13.909 -14.187 1.00 0.00 N ATOM 518 CA TYR A 33 -4.034 15.189 -14.872 1.00 0.00 C ATOM 519 C TYR A 33 -5.258 16.029 -14.517 1.00 0.00 C ATOM 520 O TYR A 33 -5.100 17.170 -14.090 1.00 0.00 O ATOM 521 CB TYR A 33 -3.952 14.988 -16.393 1.00 0.00 C ATOM 522 CG TYR A 33 -3.999 16.288 -17.169 1.00 0.00 C ATOM 523 CD1 TYR A 33 -2.821 17.016 -17.402 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.235 16.801 -17.600 1.00 0.00 C ATOM 525 CE1 TYR A 33 -2.875 18.242 -18.085 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.305 18.050 -18.238 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.117 18.768 -18.508 1.00 0.00 C ATOM 528 OH TYR A 33 -4.171 19.953 -19.175 1.00 0.00 O ATOM 0 H TYR A 33 -4.033 13.106 -14.816 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.145 15.725 -14.540 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.029 14.461 -16.634 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.776 14.351 -16.714 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.873 16.633 -17.056 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.138 16.230 -17.439 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.964 18.785 -18.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.263 18.461 -18.521 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.269 20.209 -19.461 1.00 0.00 H new ATOM 538 N TYR A 34 -6.471 15.495 -14.680 1.00 0.00 N ATOM 539 CA TYR A 34 -7.671 16.311 -14.572 1.00 0.00 C ATOM 540 C TYR A 34 -7.994 16.667 -13.121 1.00 0.00 C ATOM 541 O TYR A 34 -8.487 17.769 -12.878 1.00 0.00 O ATOM 542 CB TYR A 34 -8.855 15.639 -15.277 1.00 0.00 C ATOM 543 CG TYR A 34 -8.753 15.660 -16.795 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.778 16.889 -17.489 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.620 14.460 -17.520 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.694 16.918 -18.892 1.00 0.00 C ATOM 547 CE2 TYR A 34 -8.524 14.482 -18.923 1.00 0.00 C ATOM 548 CZ TYR A 34 -8.565 15.712 -19.618 1.00 0.00 C ATOM 549 OH TYR A 34 -8.484 15.723 -20.979 1.00 0.00 O ATOM 0 H TYR A 34 -6.642 14.511 -14.885 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.475 17.254 -15.083 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.928 14.605 -14.941 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.776 16.138 -14.976 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.862 17.814 -16.938 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.592 13.517 -16.995 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.728 17.862 -19.415 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.419 13.557 -19.470 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.398 14.804 -21.309 1.00 0.00 H new ATOM 559 N TYR A 35 -7.693 15.800 -12.147 1.00 0.00 N ATOM 560 CA TYR A 35 -7.872 16.179 -10.747 1.00 0.00 C ATOM 561 C TYR A 35 -6.864 17.252 -10.347 1.00 0.00 C ATOM 562 O TYR A 35 -7.233 18.205 -9.661 1.00 0.00 O ATOM 563 CB TYR A 35 -7.802 14.960 -9.821 1.00 0.00 C ATOM 564 CG TYR A 35 -9.150 14.278 -9.706 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.114 14.785 -8.814 1.00 0.00 C ATOM 566 CD2 TYR A 35 -9.472 13.195 -10.540 1.00 0.00 C ATOM 567 CE1 TYR A 35 -11.395 14.209 -8.751 1.00 0.00 C ATOM 568 CE2 TYR A 35 -10.745 12.604 -10.478 1.00 0.00 C ATOM 569 CZ TYR A 35 -11.716 13.108 -9.581 1.00 0.00 C ATOM 570 OH TYR A 35 -12.954 12.539 -9.538 1.00 0.00 O ATOM 0 H TYR A 35 -7.334 14.857 -12.298 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.870 16.602 -10.637 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.066 14.253 -10.202 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.464 15.270 -8.832 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.868 15.620 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.737 12.814 -11.233 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -12.133 14.606 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -10.982 11.765 -11.115 1.00 0.00 H new ATOM 0 HH TYR A 35 -12.995 11.797 -10.176 1.00 0.00 H new ATOM 580 N LEU A 36 -5.614 17.150 -10.800 1.00 0.00 N ATOM 581 CA LEU A 36 -4.617 18.188 -10.547 1.00 0.00 C ATOM 582 C LEU A 36 -5.025 19.492 -11.231 1.00 0.00 C ATOM 583 O LEU A 36 -4.951 20.540 -10.597 1.00 0.00 O ATOM 584 CB LEU A 36 -3.217 17.732 -10.990 1.00 0.00 C ATOM 585 CG LEU A 36 -2.379 17.118 -9.850 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.086 16.021 -9.040 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.087 16.542 -10.434 1.00 0.00 C ATOM 0 H LEU A 36 -5.269 16.359 -11.344 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.571 18.369 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.319 16.999 -11.790 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.681 18.585 -11.405 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.191 17.933 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.416 15.653 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.985 16.431 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.360 15.199 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.489 16.106 -9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.330 15.772 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.520 17.337 -10.918 1.00 0.00 H new ATOM 599 N ASP A 37 -5.523 19.442 -12.467 1.00 0.00 N ATOM 600 CA ASP A 37 -6.013 20.620 -13.180 1.00 0.00 C ATOM 601 C ASP A 37 -7.159 21.303 -12.429 1.00 0.00 C ATOM 602 O ASP A 37 -7.261 22.530 -12.443 1.00 0.00 O ATOM 603 CB ASP A 37 -6.457 20.225 -14.594 1.00 0.00 C ATOM 604 CG ASP A 37 -7.111 21.398 -15.342 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.383 22.225 -15.933 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.360 21.468 -15.390 1.00 0.00 O ATOM 0 H ASP A 37 -5.598 18.578 -13.004 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.196 21.338 -13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.595 19.871 -15.159 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.162 19.395 -14.534 1.00 0.00 H new ATOM 611 N ASP A 38 -7.990 20.525 -11.730 1.00 0.00 N ATOM 612 CA ASP A 38 -9.084 21.049 -10.914 1.00 0.00 C ATOM 613 C ASP A 38 -8.608 21.571 -9.549 1.00 0.00 C ATOM 614 O ASP A 38 -9.287 22.397 -8.937 1.00 0.00 O ATOM 615 CB ASP A 38 -10.143 19.957 -10.714 1.00 0.00 C ATOM 616 CG ASP A 38 -11.345 20.468 -9.901 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.114 21.311 -10.417 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.562 19.993 -8.764 1.00 0.00 O ATOM 0 H ASP A 38 -7.920 19.507 -11.716 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.511 21.897 -11.449 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.486 19.601 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.694 19.105 -10.203 1.00 0.00 H new ATOM 623 N THR A 39 -7.446 21.119 -9.070 1.00 0.00 N ATOM 624 CA THR A 39 -6.990 21.368 -7.704 1.00 0.00 C ATOM 625 C THR A 39 -5.957 22.496 -7.624 1.00 0.00 C ATOM 626 O THR A 39 -6.040 23.345 -6.735 1.00 0.00 O ATOM 627 CB THR A 39 -6.410 20.059 -7.138 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.400 19.050 -7.121 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.853 20.236 -5.723 1.00 0.00 C ATOM 0 H THR A 39 -6.792 20.566 -9.625 1.00 0.00 H new ATOM 0 HA THR A 39 -7.843 21.696 -7.110 1.00 0.00 H new ATOM 0 HB THR A 39 -5.589 19.769 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.395 18.572 -7.977 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.455 19.286 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.057 20.980 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.650 20.568 -5.057 1.00 0.00 H new ATOM 637 N LEU A 40 -4.962 22.484 -8.513 1.00 0.00 N ATOM 638 CA LEU A 40 -3.796 23.355 -8.427 1.00 0.00 C ATOM 639 C LEU A 40 -4.230 24.798 -8.698 1.00 0.00 C ATOM 640 O LEU A 40 -4.836 25.087 -9.731 1.00 0.00 O ATOM 641 CB LEU A 40 -2.733 22.907 -9.446 1.00 0.00 C ATOM 642 CG LEU A 40 -2.137 21.498 -9.229 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.419 21.053 -10.509 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.142 21.398 -8.077 1.00 0.00 C ATOM 0 H LEU A 40 -4.946 21.861 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.360 23.295 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.175 22.943 -10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.918 23.631 -9.432 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.982 20.858 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.996 20.059 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.130 21.026 -11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.620 21.757 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.776 20.374 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.304 22.070 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.634 21.679 -7.146 1.00 0.00 H new ATOM 656 N GLU A 41 -3.888 25.716 -7.796 1.00 0.00 N ATOM 657 CA GLU A 41 -4.244 27.133 -7.859 1.00 0.00 C ATOM 658 C GLU A 41 -3.250 27.899 -8.753 1.00 0.00 C ATOM 659 O GLU A 41 -2.756 28.964 -8.379 1.00 0.00 O ATOM 660 CB GLU A 41 -4.322 27.711 -6.428 1.00 0.00 C ATOM 661 CG GLU A 41 -5.469 27.137 -5.579 1.00 0.00 C ATOM 662 CD GLU A 41 -6.847 27.642 -6.048 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.303 28.704 -5.566 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.500 26.984 -6.888 1.00 0.00 O ATOM 0 H GLU A 41 -3.335 25.485 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.227 27.248 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.377 27.520 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.437 28.793 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.446 26.048 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.319 27.412 -4.535 1.00 0.00 H new ATOM 671 N PHE A 42 -2.894 27.343 -9.918 1.00 0.00 N ATOM 672 CA PHE A 42 -2.090 28.064 -10.904 1.00 0.00 C ATOM 673 C PHE A 42 -2.858 29.304 -11.417 1.00 0.00 C ATOM 674 O PHE A 42 -4.094 29.303 -11.381 1.00 0.00 O ATOM 675 CB PHE A 42 -1.643 27.124 -12.037 1.00 0.00 C ATOM 676 CG PHE A 42 -2.725 26.263 -12.664 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.716 26.838 -13.484 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.708 24.870 -12.466 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.706 26.028 -14.067 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.701 24.062 -13.046 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.704 24.641 -13.840 1.00 0.00 C ATOM 0 H PHE A 42 -3.152 26.396 -10.198 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.179 28.428 -10.429 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.188 27.727 -12.823 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.865 26.467 -11.649 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.715 27.903 -13.665 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.930 24.421 -11.867 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.469 26.472 -14.690 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.693 22.995 -12.881 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.473 24.021 -14.276 1.00 0.00 H new ATOM 691 N PRO A 43 -2.178 30.346 -11.936 1.00 0.00 N ATOM 692 CA PRO A 43 -0.726 30.513 -11.970 1.00 0.00 C ATOM 693 C PRO A 43 -0.156 30.664 -10.554 1.00 0.00 C ATOM 694 O PRO A 43 -0.787 31.284 -9.694 1.00 0.00 O ATOM 695 CB PRO A 43 -0.486 31.773 -12.811 1.00 0.00 C ATOM 696 CG PRO A 43 -1.752 32.599 -12.606 1.00 0.00 C ATOM 697 CD PRO A 43 -2.833 31.529 -12.480 1.00 0.00 C ATOM 0 HA PRO A 43 -0.225 29.645 -12.399 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.401 32.312 -12.478 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.335 31.529 -13.862 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.690 33.220 -11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.940 33.268 -13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.637 31.864 -11.825 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.281 31.314 -13.450 1.00 0.00 H new ATOM 705 N PHE A 44 1.027 30.095 -10.305 1.00 0.00 N ATOM 706 CA PHE A 44 1.695 30.173 -9.006 1.00 0.00 C ATOM 707 C PHE A 44 3.206 30.234 -9.218 1.00 0.00 C ATOM 708 O PHE A 44 3.691 29.931 -10.304 1.00 0.00 O ATOM 709 CB PHE A 44 1.270 29.008 -8.086 1.00 0.00 C ATOM 710 CG PHE A 44 1.632 27.587 -8.507 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.969 27.155 -8.461 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.632 26.656 -8.848 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.318 25.833 -8.773 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.974 25.329 -9.168 1.00 0.00 C ATOM 715 CZ PHE A 44 2.318 24.915 -9.133 1.00 0.00 C ATOM 0 H PHE A 44 1.549 29.565 -11.003 1.00 0.00 H new ATOM 0 HA PHE A 44 1.389 31.085 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.705 29.185 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.187 29.055 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.742 27.855 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.404 26.962 -8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.352 25.522 -8.737 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.202 24.626 -9.442 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.579 23.897 -9.382 1.00 0.00 H new ATOM 725 N MET A 45 3.972 30.612 -8.198 1.00 0.00 N ATOM 726 CA MET A 45 5.428 30.688 -8.295 1.00 0.00 C ATOM 727 C MET A 45 6.028 29.361 -7.830 1.00 0.00 C ATOM 728 O MET A 45 5.506 28.752 -6.895 1.00 0.00 O ATOM 729 CB MET A 45 5.897 31.850 -7.408 1.00 0.00 C ATOM 730 CG MET A 45 7.407 32.076 -7.465 1.00 0.00 C ATOM 731 SD MET A 45 7.980 33.335 -6.300 1.00 0.00 S ATOM 732 CE MET A 45 9.749 33.156 -6.612 1.00 0.00 C ATOM 0 H MET A 45 3.603 30.874 -7.284 1.00 0.00 H new ATOM 0 HA MET A 45 5.751 30.865 -9.321 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.387 32.763 -7.716 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.604 31.653 -6.377 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.917 31.136 -7.255 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.686 32.371 -8.476 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.309 33.720 -5.866 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.024 32.103 -6.553 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.984 33.537 -7.606 1.00 0.00 H new ATOM 742 N GLY A 46 7.141 28.917 -8.413 1.00 0.00 N ATOM 743 CA GLY A 46 7.822 27.719 -7.955 1.00 0.00 C ATOM 744 C GLY A 46 9.292 27.714 -8.338 1.00 0.00 C ATOM 745 O GLY A 46 9.768 28.579 -9.072 1.00 0.00 O ATOM 0 H GLY A 46 7.588 29.376 -9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.730 27.642 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.335 26.841 -8.379 1.00 0.00 H new ATOM 749 N LYS A 47 10.021 26.731 -7.820 1.00 0.00 N ATOM 750 CA LYS A 47 11.382 26.449 -8.257 1.00 0.00 C ATOM 751 C LYS A 47 11.305 25.278 -9.229 1.00 0.00 C ATOM 752 O LYS A 47 10.751 24.231 -8.886 1.00 0.00 O ATOM 753 CB LYS A 47 12.282 26.101 -7.054 1.00 0.00 C ATOM 754 CG LYS A 47 13.780 26.239 -7.388 1.00 0.00 C ATOM 755 CD LYS A 47 14.269 27.701 -7.350 1.00 0.00 C ATOM 756 CE LYS A 47 14.462 28.240 -5.923 1.00 0.00 C ATOM 757 NZ LYS A 47 15.725 27.778 -5.292 1.00 0.00 N ATOM 0 H LYS A 47 9.684 26.108 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 47 11.820 27.323 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.036 26.755 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.076 25.080 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.361 25.648 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.966 25.824 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.213 27.775 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.551 28.331 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.453 29.330 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.619 27.928 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.693 27.969 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.839 26.756 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.529 28.285 -5.713 1.00 0.00 H new ATOM 771 N TRP A 48 11.834 25.451 -10.435 1.00 0.00 N ATOM 772 CA TRP A 48 12.038 24.367 -11.376 1.00 0.00 C ATOM 773 C TRP A 48 13.359 23.726 -10.956 1.00 0.00 C ATOM 774 O TRP A 48 14.431 24.287 -11.184 1.00 0.00 O ATOM 775 CB TRP A 48 12.074 24.897 -12.820 1.00 0.00 C ATOM 776 CG TRP A 48 12.196 23.872 -13.913 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.188 22.529 -13.753 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.318 24.086 -15.355 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.313 21.902 -14.973 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.386 22.814 -16.003 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.355 25.228 -16.185 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.478 22.685 -17.397 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.439 25.110 -17.586 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.499 23.843 -18.193 1.00 0.00 C ATOM 0 H TRP A 48 12.135 26.360 -10.786 1.00 0.00 H new ATOM 0 HA TRP A 48 11.228 23.638 -11.360 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.165 25.473 -12.994 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.912 25.589 -12.908 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.097 22.021 -12.804 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.347 20.890 -15.098 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.318 26.210 -15.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.532 21.707 -17.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.457 25.999 -18.199 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.561 23.760 -19.268 1.00 0.00 H new ATOM 795 N LYS A 49 13.282 22.575 -10.296 1.00 0.00 N ATOM 796 CA LYS A 49 14.403 21.745 -9.875 1.00 0.00 C ATOM 797 C LYS A 49 14.740 20.816 -11.048 1.00 0.00 C ATOM 798 O LYS A 49 14.558 19.601 -10.969 1.00 0.00 O ATOM 799 CB LYS A 49 13.981 20.975 -8.609 1.00 0.00 C ATOM 800 CG LYS A 49 13.716 21.911 -7.417 1.00 0.00 C ATOM 801 CD LYS A 49 13.040 21.186 -6.251 1.00 0.00 C ATOM 802 CE LYS A 49 13.971 20.239 -5.488 1.00 0.00 C ATOM 803 NZ LYS A 49 13.246 19.531 -4.404 1.00 0.00 N ATOM 0 H LYS A 49 12.384 22.174 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 49 15.292 22.323 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.082 20.397 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.762 20.263 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.659 22.340 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.087 22.740 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.642 21.926 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.192 20.617 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.399 19.512 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.801 20.804 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.911 19.291 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.496 20.146 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.823 18.659 -4.781 1.00 0.00 H new ATOM 817 N LYS A 50 15.126 21.411 -12.178 1.00 0.00 N ATOM 818 CA LYS A 50 15.361 20.724 -13.443 1.00 0.00 C ATOM 819 C LYS A 50 16.386 19.610 -13.238 1.00 0.00 C ATOM 820 O LYS A 50 17.545 19.893 -12.934 1.00 0.00 O ATOM 821 CB LYS A 50 15.806 21.754 -14.494 1.00 0.00 C ATOM 822 CG LYS A 50 15.831 21.150 -15.904 1.00 0.00 C ATOM 823 CD LYS A 50 16.186 22.214 -16.951 1.00 0.00 C ATOM 824 CE LYS A 50 16.140 21.607 -18.360 1.00 0.00 C ATOM 825 NZ LYS A 50 16.486 22.595 -19.413 1.00 0.00 N ATOM 0 H LYS A 50 15.288 22.416 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 50 14.447 20.253 -13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.129 22.608 -14.476 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.798 22.128 -14.240 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.558 20.339 -15.943 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.858 20.717 -16.136 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.488 23.048 -16.884 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.180 22.614 -16.751 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.831 20.766 -18.413 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.142 21.212 -18.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.441 22.138 -20.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.811 23.386 -19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.448 22.954 -19.249 1.00 0.00 H new ATOM 839 N LYS A 51 15.987 18.348 -13.395 1.00 0.00 N ATOM 840 CA LYS A 51 16.825 17.185 -13.111 1.00 0.00 C ATOM 841 C LYS A 51 17.715 16.846 -14.317 1.00 0.00 C ATOM 842 O LYS A 51 17.714 15.708 -14.789 1.00 0.00 O ATOM 843 CB LYS A 51 15.910 16.039 -12.634 1.00 0.00 C ATOM 844 CG LYS A 51 16.679 14.905 -11.936 1.00 0.00 C ATOM 845 CD LYS A 51 15.724 13.913 -11.259 1.00 0.00 C ATOM 846 CE LYS A 51 16.529 12.812 -10.554 1.00 0.00 C ATOM 847 NZ LYS A 51 15.656 11.822 -9.875 1.00 0.00 N ATOM 0 H LYS A 51 15.055 18.102 -13.729 1.00 0.00 H new ATOM 0 HA LYS A 51 17.531 17.387 -12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.163 16.439 -11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.371 15.632 -13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.295 14.379 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.355 15.326 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.095 14.435 -10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.059 13.471 -12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.156 12.300 -11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.197 13.266 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.244 11.099 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.075 12.304 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.036 11.368 -10.576 1.00 0.00 H new ATOM 861 N SER A 52 18.449 17.832 -14.839 1.00 0.00 N ATOM 862 CA SER A 52 19.206 17.710 -16.085 1.00 0.00 C ATOM 863 C SER A 52 20.578 18.404 -16.017 1.00 0.00 C ATOM 864 O SER A 52 21.147 18.728 -17.061 1.00 0.00 O ATOM 865 CB SER A 52 18.358 18.256 -17.248 1.00 0.00 C ATOM 866 OG SER A 52 17.017 17.783 -17.208 1.00 0.00 O ATOM 0 H SER A 52 18.535 18.749 -14.401 1.00 0.00 H new ATOM 0 HA SER A 52 19.416 16.654 -16.252 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.358 19.345 -17.214 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.815 17.967 -18.195 1.00 0.00 H new ATOM 0 HG SER A 52 16.516 18.156 -17.963 1.00 0.00 H new ATOM 872 N ARG A 53 21.120 18.668 -14.817 1.00 0.00 N ATOM 873 CA ARG A 53 22.373 19.418 -14.654 1.00 0.00 C ATOM 874 C ARG A 53 23.538 18.766 -15.401 1.00 0.00 C ATOM 875 O ARG A 53 24.325 19.474 -16.032 1.00 0.00 O ATOM 876 CB ARG A 53 22.694 19.592 -13.160 1.00 0.00 C ATOM 877 CG ARG A 53 23.905 20.514 -12.933 1.00 0.00 C ATOM 878 CD ARG A 53 23.902 21.113 -11.522 1.00 0.00 C ATOM 879 NE ARG A 53 25.213 21.674 -11.153 1.00 0.00 N ATOM 880 CZ ARG A 53 25.738 22.847 -11.535 1.00 0.00 C ATOM 881 NH1 ARG A 53 25.108 23.660 -12.380 1.00 0.00 N ATOM 882 NH2 ARG A 53 26.925 23.209 -11.058 1.00 0.00 N ATOM 0 H ARG A 53 20.702 18.368 -13.936 1.00 0.00 H new ATOM 0 HA ARG A 53 22.232 20.403 -15.099 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.824 20.004 -12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 53 22.893 18.617 -12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 53 24.826 19.951 -13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 53 23.895 21.317 -13.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 23.145 21.895 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 53 23.623 20.343 -10.803 1.00 0.00 H new ATOM 0 HE ARG A 53 25.789 21.103 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 53 24.198 23.397 -12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 53 25.536 24.546 -12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 53 27.423 22.597 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 53 27.338 24.098 -11.339 1.00 0.00 H new ATOM 896 N LYS A 54 23.631 17.433 -15.366 1.00 0.00 N ATOM 897 CA LYS A 54 24.616 16.659 -16.125 1.00 0.00 C ATOM 898 C LYS A 54 23.917 15.501 -16.821 1.00 0.00 C ATOM 899 O LYS A 54 24.060 15.355 -18.035 1.00 0.00 O ATOM 900 CB LYS A 54 25.748 16.141 -15.216 1.00 0.00 C ATOM 901 CG LYS A 54 26.563 17.268 -14.562 1.00 0.00 C ATOM 902 CD LYS A 54 27.730 16.698 -13.744 1.00 0.00 C ATOM 903 CE LYS A 54 28.531 17.838 -13.100 1.00 0.00 C ATOM 904 NZ LYS A 54 29.682 17.337 -12.308 1.00 0.00 N ATOM 0 H LYS A 54 23.013 16.852 -14.799 1.00 0.00 H new ATOM 0 HA LYS A 54 25.072 17.311 -16.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 25.320 15.512 -14.436 1.00 0.00 H new ATOM 0 HB3 LYS A 54 26.417 15.511 -15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 54 26.946 17.938 -15.331 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.916 17.861 -13.916 1.00 0.00 H new ATOM 0 HD2 LYS A 54 27.350 16.029 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 54 28.380 16.105 -14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.893 18.510 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 54 27.875 18.421 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 30.194 18.141 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 29.337 16.716 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 30.323 16.802 -12.928 1.00 0.00 H new ATOM 918 N THR A 55 23.125 14.722 -16.083 1.00 0.00 N ATOM 919 CA THR A 55 22.451 13.535 -16.603 1.00 0.00 C ATOM 920 C THR A 55 21.066 13.423 -15.960 1.00 0.00 C ATOM 921 O THR A 55 20.051 13.526 -16.653 1.00 0.00 O ATOM 922 CB THR A 55 23.316 12.286 -16.313 1.00 0.00 C ATOM 923 OG1 THR A 55 23.809 12.330 -14.981 1.00 0.00 O ATOM 924 CG2 THR A 55 24.520 12.175 -17.255 1.00 0.00 C ATOM 0 H THR A 55 22.932 14.901 -15.097 1.00 0.00 H new ATOM 0 HA THR A 55 22.321 13.611 -17.683 1.00 0.00 H new ATOM 0 HB THR A 55 22.669 11.422 -16.466 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.354 11.534 -14.807 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.094 11.281 -17.009 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.171 12.109 -18.285 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.153 13.055 -17.142 1.00 0.00 H new ATOM 932 N SER A 56 21.039 13.301 -14.631 1.00 0.00 N ATOM 933 CA SER A 56 19.848 13.066 -13.818 1.00 0.00 C ATOM 934 C SER A 56 20.007 13.807 -12.481 1.00 0.00 C ATOM 935 O SER A 56 19.611 13.312 -11.425 1.00 0.00 O ATOM 936 CB SER A 56 19.663 11.550 -13.618 1.00 0.00 C ATOM 937 OG SER A 56 19.657 10.845 -14.854 1.00 0.00 O ATOM 0 H SER A 56 21.887 13.367 -14.068 1.00 0.00 H new ATOM 0 HA SER A 56 18.955 13.447 -14.314 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.465 11.167 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.727 11.366 -13.091 1.00 0.00 H new ATOM 0 HG SER A 56 19.539 9.887 -14.684 1.00 0.00 H new ATOM 943 N THR A 57 20.628 14.984 -12.524 1.00 0.00 N ATOM 944 CA THR A 57 21.083 15.750 -11.374 1.00 0.00 C ATOM 945 C THR A 57 20.347 17.093 -11.334 1.00 0.00 C ATOM 946 O THR A 57 20.009 17.647 -12.381 1.00 0.00 O ATOM 947 CB THR A 57 22.614 15.888 -11.501 1.00 0.00 C ATOM 948 OG1 THR A 57 23.014 16.049 -12.861 1.00 0.00 O ATOM 949 CG2 THR A 57 23.314 14.623 -10.998 1.00 0.00 C ATOM 0 H THR A 57 20.836 15.449 -13.408 1.00 0.00 H new ATOM 0 HA THR A 57 20.860 15.258 -10.427 1.00 0.00 H new ATOM 0 HB THR A 57 22.891 16.762 -10.911 1.00 0.00 H new ATOM 0 HG1 THR A 57 23.962 16.294 -12.896 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.393 14.741 -11.096 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.061 14.459 -9.951 1.00 0.00 H new ATOM 0 HG23 THR A 57 22.987 13.767 -11.589 1.00 0.00 H new ATOM 957 N ILE A 58 20.033 17.595 -10.137 1.00 0.00 N ATOM 958 CA ILE A 58 19.162 18.757 -9.968 1.00 0.00 C ATOM 959 C ILE A 58 19.954 20.045 -10.228 1.00 0.00 C ATOM 960 O ILE A 58 21.115 20.177 -9.836 1.00 0.00 O ATOM 961 CB ILE A 58 18.525 18.752 -8.550 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.732 17.458 -8.239 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.613 19.974 -8.309 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.436 17.274 -9.040 1.00 0.00 C ATOM 0 H ILE A 58 20.376 17.206 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 58 18.350 18.709 -10.693 1.00 0.00 H new ATOM 0 HB ILE A 58 19.375 18.802 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.379 16.601 -8.425 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.488 17.448 -7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.193 19.922 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.196 20.889 -8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.805 19.975 -9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.957 16.339 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.762 18.106 -8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.667 17.246 -10.105 1.00 0.00 H new ATOM 976 N GLU A 59 19.276 21.009 -10.842 1.00 0.00 N ATOM 977 CA GLU A 59 19.676 22.395 -11.017 1.00 0.00 C ATOM 978 C GLU A 59 18.402 23.192 -10.731 1.00 0.00 C ATOM 979 O GLU A 59 17.302 22.682 -10.948 1.00 0.00 O ATOM 980 CB GLU A 59 20.200 22.629 -12.441 1.00 0.00 C ATOM 981 CG GLU A 59 20.701 24.063 -12.651 1.00 0.00 C ATOM 982 CD GLU A 59 21.588 24.159 -13.900 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.767 23.745 -13.819 1.00 0.00 O ATOM 984 OE2 GLU A 59 21.126 24.661 -14.951 1.00 0.00 O ATOM 0 H GLU A 59 18.364 20.825 -11.261 1.00 0.00 H new ATOM 0 HA GLU A 59 20.491 22.693 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.011 21.930 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.406 22.416 -13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.851 24.738 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.263 24.387 -11.775 1.00 0.00 H new ATOM 991 N GLU A 60 18.516 24.418 -10.227 1.00 0.00 N ATOM 992 CA GLU A 60 17.369 25.162 -9.723 1.00 0.00 C ATOM 993 C GLU A 60 17.238 26.484 -10.467 1.00 0.00 C ATOM 994 O GLU A 60 18.200 27.255 -10.540 1.00 0.00 O ATOM 995 CB GLU A 60 17.536 25.404 -8.216 1.00 0.00 C ATOM 996 CG GLU A 60 17.351 24.121 -7.398 1.00 0.00 C ATOM 997 CD GLU A 60 17.459 24.394 -5.888 1.00 0.00 C ATOM 998 OE1 GLU A 60 16.637 25.171 -5.350 1.00 0.00 O ATOM 999 OE2 GLU A 60 18.365 23.834 -5.229 1.00 0.00 O ATOM 0 H GLU A 60 19.401 24.920 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 60 16.460 24.584 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.527 25.815 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.812 26.150 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.378 23.683 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.104 23.390 -7.691 1.00 0.00 H new ATOM 1006 N LYS A 61 16.033 26.767 -10.972 1.00 0.00 N ATOM 1007 CA LYS A 61 15.671 28.071 -11.521 1.00 0.00 C ATOM 1008 C LYS A 61 14.364 28.506 -10.888 1.00 0.00 C ATOM 1009 O LYS A 61 13.496 27.673 -10.634 1.00 0.00 O ATOM 1010 CB LYS A 61 15.506 28.010 -13.045 1.00 0.00 C ATOM 1011 CG LYS A 61 16.836 27.752 -13.766 1.00 0.00 C ATOM 1012 CD LYS A 61 16.774 28.206 -15.228 1.00 0.00 C ATOM 1013 CE LYS A 61 15.772 27.419 -16.083 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.718 27.965 -17.461 1.00 0.00 N ATOM 0 H LYS A 61 15.274 26.086 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 61 16.467 28.783 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.798 27.221 -13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.079 28.948 -13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.639 28.281 -13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.075 26.689 -13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.511 29.263 -15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.766 28.112 -15.670 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.059 26.368 -16.114 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.782 27.466 -15.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.891 27.575 -17.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.641 29.001 -17.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.584 27.702 -17.973 1.00 0.00 H new ATOM 1028 N THR A 62 14.209 29.796 -10.640 1.00 0.00 N ATOM 1029 CA THR A 62 13.000 30.341 -10.048 1.00 0.00 C ATOM 1030 C THR A 62 12.064 30.712 -11.199 1.00 0.00 C ATOM 1031 O THR A 62 12.469 31.429 -12.118 1.00 0.00 O ATOM 1032 CB THR A 62 13.393 31.527 -9.156 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.484 31.160 -8.325 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.232 31.925 -8.254 1.00 0.00 C ATOM 0 H THR A 62 14.921 30.497 -10.845 1.00 0.00 H new ATOM 0 HA THR A 62 12.473 29.634 -9.408 1.00 0.00 H new ATOM 0 HB THR A 62 13.664 32.362 -9.803 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.733 31.920 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.529 32.767 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.377 32.211 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.958 31.082 -7.620 1.00 0.00 H new ATOM 1042 N VAL A 63 10.827 30.212 -11.178 1.00 0.00 N ATOM 1043 CA VAL A 63 9.908 30.304 -12.300 1.00 0.00 C ATOM 1044 C VAL A 63 8.507 30.664 -11.790 1.00 0.00 C ATOM 1045 O VAL A 63 8.169 30.463 -10.623 1.00 0.00 O ATOM 1046 CB VAL A 63 9.924 29.005 -13.147 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.341 28.606 -13.610 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.315 27.794 -12.424 1.00 0.00 C ATOM 0 H VAL A 63 10.437 29.728 -10.370 1.00 0.00 H new ATOM 0 HA VAL A 63 10.232 31.102 -12.969 1.00 0.00 H new ATOM 0 HB VAL A 63 9.308 29.257 -14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.287 27.690 -14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.763 29.405 -14.220 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.975 28.441 -12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.360 26.921 -13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.877 27.595 -11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.276 28.006 -12.172 1.00 0.00 H new ATOM 1058 N GLU A 64 7.676 31.186 -12.681 1.00 0.00 N ATOM 1059 CA GLU A 64 6.253 31.393 -12.461 1.00 0.00 C ATOM 1060 C GLU A 64 5.555 30.389 -13.370 1.00 0.00 C ATOM 1061 O GLU A 64 5.793 30.402 -14.576 1.00 0.00 O ATOM 1062 CB GLU A 64 5.878 32.851 -12.782 1.00 0.00 C ATOM 1063 CG GLU A 64 4.391 33.115 -12.512 1.00 0.00 C ATOM 1064 CD GLU A 64 4.047 34.608 -12.666 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.815 35.075 -13.804 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.987 35.329 -11.644 1.00 0.00 O ATOM 0 H GLU A 64 7.984 31.486 -13.606 1.00 0.00 H new ATOM 0 HA GLU A 64 5.953 31.235 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.485 33.526 -12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.104 33.066 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.785 32.528 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.138 32.784 -11.505 1.00 0.00 H new ATOM 1073 N VAL A 65 4.756 29.480 -12.816 1.00 0.00 N ATOM 1074 CA VAL A 65 3.966 28.546 -13.611 1.00 0.00 C ATOM 1075 C VAL A 65 2.710 29.279 -14.076 1.00 0.00 C ATOM 1076 O VAL A 65 2.088 29.998 -13.290 1.00 0.00 O ATOM 1077 CB VAL A 65 3.665 27.216 -12.875 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.842 26.735 -12.007 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.377 27.179 -12.044 1.00 0.00 C ATOM 0 H VAL A 65 4.639 29.371 -11.809 1.00 0.00 H new ATOM 0 HA VAL A 65 4.543 28.228 -14.479 1.00 0.00 H new ATOM 0 HB VAL A 65 3.509 26.529 -13.706 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.574 25.800 -11.516 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.717 26.576 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.070 27.488 -11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.273 26.200 -11.577 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.420 27.947 -11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.520 27.364 -12.692 1.00 0.00 H new ATOM 1089 N LEU A 66 2.322 29.087 -15.336 1.00 0.00 N ATOM 1090 CA LEU A 66 1.162 29.756 -15.918 1.00 0.00 C ATOM 1091 C LEU A 66 -0.073 28.856 -15.865 1.00 0.00 C ATOM 1092 O LEU A 66 -1.197 29.359 -15.888 1.00 0.00 O ATOM 1093 CB LEU A 66 1.434 30.185 -17.374 1.00 0.00 C ATOM 1094 CG LEU A 66 2.581 31.190 -17.617 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.610 32.339 -16.600 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.955 30.514 -17.651 1.00 0.00 C ATOM 0 H LEU A 66 2.805 28.462 -15.982 1.00 0.00 H new ATOM 0 HA LEU A 66 0.972 30.650 -15.324 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.644 29.287 -17.956 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.517 30.617 -17.775 1.00 0.00 H new ATOM 0 HG LEU A 66 2.368 31.613 -18.599 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.440 33.007 -16.830 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.673 32.894 -16.651 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.738 31.933 -15.596 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.726 31.265 -17.825 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.140 30.018 -16.698 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.978 29.778 -18.454 1.00 0.00 H new ATOM 1108 N GLY A 67 0.118 27.537 -15.793 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.937 26.547 -15.860 1.00 0.00 C ATOM 1110 C GLY A 67 -0.325 25.204 -16.228 1.00 0.00 C ATOM 1111 O GLY A 67 0.854 25.125 -16.588 1.00 0.00 O ATOM 0 H GLY A 67 1.044 27.124 -15.683 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.451 26.478 -14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.682 26.838 -16.601 1.00 0.00 H new ATOM 1115 N MET A 68 -1.118 24.141 -16.133 1.00 0.00 N ATOM 1116 CA MET A 68 -0.725 22.837 -16.658 1.00 0.00 C ATOM 1117 C MET A 68 -0.617 22.906 -18.183 1.00 0.00 C ATOM 1118 O MET A 68 -1.331 23.673 -18.838 1.00 0.00 O ATOM 1119 CB MET A 68 -1.691 21.734 -16.207 1.00 0.00 C ATOM 1120 CG MET A 68 -1.530 21.468 -14.705 1.00 0.00 C ATOM 1121 SD MET A 68 -2.552 20.119 -14.064 1.00 0.00 S ATOM 1122 CE MET A 68 -1.584 18.687 -14.605 1.00 0.00 C ATOM 0 H MET A 68 -2.039 24.157 -15.696 1.00 0.00 H new ATOM 0 HA MET A 68 0.253 22.578 -16.253 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.718 22.029 -16.423 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.498 20.820 -16.768 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.484 21.242 -14.500 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.772 22.380 -14.160 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.169 17.778 -14.463 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.332 18.796 -15.660 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.668 18.624 -14.018 1.00 0.00 H new ATOM 1132 N ALA A 69 0.281 22.093 -18.740 1.00 0.00 N ATOM 1133 CA ALA A 69 0.402 21.896 -20.180 1.00 0.00 C ATOM 1134 C ALA A 69 -0.860 21.193 -20.721 1.00 0.00 C ATOM 1135 O ALA A 69 -1.646 20.666 -19.925 1.00 0.00 O ATOM 1136 CB ALA A 69 1.659 21.062 -20.451 1.00 0.00 C ATOM 0 H ALA A 69 0.950 21.548 -18.196 1.00 0.00 H new ATOM 0 HA ALA A 69 0.492 22.855 -20.690 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.766 20.904 -21.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.534 21.590 -20.072 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.571 20.098 -19.949 1.00 0.00 H new ATOM 1142 N PRO A 70 -1.074 21.151 -22.049 1.00 0.00 N ATOM 1143 CA PRO A 70 -2.131 20.350 -22.653 1.00 0.00 C ATOM 1144 C PRO A 70 -2.090 18.886 -22.200 1.00 0.00 C ATOM 1145 O PRO A 70 -1.019 18.296 -22.027 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.929 20.464 -24.167 1.00 0.00 C ATOM 1147 CG PRO A 70 -1.222 21.808 -24.326 1.00 0.00 C ATOM 1148 CD PRO A 70 -0.343 21.875 -23.079 1.00 0.00 C ATOM 0 HA PRO A 70 -3.110 20.717 -22.345 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.326 19.644 -24.555 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.878 20.443 -24.702 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.631 21.849 -25.241 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.930 22.636 -24.367 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.631 21.422 -23.261 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.163 22.908 -22.780 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.269 18.272 -22.097 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.418 16.853 -21.771 1.00 0.00 C ATOM 1158 C ASP A 71 -2.707 15.955 -22.788 1.00 0.00 C ATOM 1159 O ASP A 71 -2.256 14.869 -22.430 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.898 16.456 -21.691 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.567 16.328 -23.072 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.937 17.371 -23.657 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.741 15.195 -23.574 1.00 0.00 O ATOM 0 H ASP A 71 -4.158 18.751 -22.239 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.952 16.708 -20.796 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.985 15.506 -21.163 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.435 17.199 -21.101 1.00 0.00 H new ATOM 1168 N ASP A 72 -2.560 16.430 -24.030 1.00 0.00 N ATOM 1169 CA ASP A 72 -2.006 15.687 -25.162 1.00 0.00 C ATOM 1170 C ASP A 72 -0.566 15.218 -24.930 1.00 0.00 C ATOM 1171 O ASP A 72 -0.140 14.231 -25.531 1.00 0.00 O ATOM 1172 CB ASP A 72 -2.073 16.563 -26.419 1.00 0.00 C ATOM 1173 CG ASP A 72 -1.517 15.834 -27.655 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -2.178 14.897 -28.158 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -0.445 16.231 -28.166 1.00 0.00 O ATOM 0 H ASP A 72 -2.835 17.380 -24.281 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.609 14.787 -25.285 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.107 16.855 -26.604 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.508 17.480 -26.253 1.00 0.00 H new ATOM 1180 N GLU A 73 0.171 15.880 -24.033 1.00 0.00 N ATOM 1181 CA GLU A 73 1.541 15.512 -23.678 1.00 0.00 C ATOM 1182 C GLU A 73 1.651 15.043 -22.222 1.00 0.00 C ATOM 1183 O GLU A 73 2.700 14.541 -21.822 1.00 0.00 O ATOM 1184 CB GLU A 73 2.510 16.656 -24.022 1.00 0.00 C ATOM 1185 CG GLU A 73 2.299 17.948 -23.218 1.00 0.00 C ATOM 1186 CD GLU A 73 3.311 19.025 -23.651 1.00 0.00 C ATOM 1187 OE1 GLU A 73 4.474 18.995 -23.190 1.00 0.00 O ATOM 1188 OE2 GLU A 73 2.957 19.902 -24.472 1.00 0.00 O ATOM 0 H GLU A 73 -0.173 16.696 -23.528 1.00 0.00 H new ATOM 0 HA GLU A 73 1.834 14.652 -24.280 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.531 16.308 -23.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.415 16.886 -25.083 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.283 18.314 -23.367 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.411 17.743 -22.153 1.00 0.00 H new ATOM 1195 N CYS A 74 0.568 15.124 -21.440 1.00 0.00 N ATOM 1196 CA CYS A 74 0.562 14.732 -20.033 1.00 0.00 C ATOM 1197 C CYS A 74 0.130 13.268 -19.842 1.00 0.00 C ATOM 1198 O CYS A 74 -0.389 12.899 -18.790 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.302 15.696 -19.216 1.00 0.00 C ATOM 1200 SG CYS A 74 0.378 17.379 -19.291 1.00 0.00 S ATOM 0 H CYS A 74 -0.334 15.466 -21.772 1.00 0.00 H new ATOM 0 HA CYS A 74 1.585 14.797 -19.662 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.323 15.692 -19.599 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.349 15.362 -18.179 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.077 17.984 -20.348 1.00 0.00 H new ATOM 1206 N LEU A 75 0.302 12.426 -20.867 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.134 11.027 -20.862 1.00 0.00 C ATOM 1208 C LEU A 75 0.886 10.100 -20.185 1.00 0.00 C ATOM 1209 O LEU A 75 0.615 8.907 -20.050 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.425 10.571 -22.309 1.00 0.00 C ATOM 1211 CG LEU A 75 -1.707 11.203 -22.890 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.732 11.073 -24.416 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.977 10.557 -22.320 1.00 0.00 C ATOM 0 H LEU A 75 0.756 12.703 -21.737 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.048 10.961 -20.272 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.422 10.830 -22.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.519 9.485 -22.331 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.692 12.255 -22.605 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.644 11.525 -24.805 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.866 11.582 -24.839 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.703 10.019 -24.692 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.855 11.033 -22.757 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.984 9.494 -22.560 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.996 10.685 -21.238 1.00 0.00 H new ATOM 1225 N LYS A 76 2.047 10.621 -19.760 1.00 0.00 N ATOM 1226 CA LYS A 76 3.122 9.834 -19.140 1.00 0.00 C ATOM 1227 C LYS A 76 3.657 10.473 -17.859 1.00 0.00 C ATOM 1228 O LYS A 76 4.206 9.774 -17.009 1.00 0.00 O ATOM 1229 CB LYS A 76 4.272 9.621 -20.141 1.00 0.00 C ATOM 1230 CG LYS A 76 3.841 8.829 -21.388 1.00 0.00 C ATOM 1231 CD LYS A 76 5.016 8.466 -22.309 1.00 0.00 C ATOM 1232 CE LYS A 76 5.683 9.707 -22.922 1.00 0.00 C ATOM 1233 NZ LYS A 76 6.779 9.349 -23.857 1.00 0.00 N ATOM 0 H LYS A 76 2.268 11.614 -19.839 1.00 0.00 H new ATOM 0 HA LYS A 76 2.691 8.872 -18.864 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.663 10.591 -20.450 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.086 9.093 -19.645 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.338 7.915 -21.074 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.115 9.416 -21.950 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.757 7.901 -21.743 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.661 7.815 -23.108 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.934 10.296 -23.451 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.079 10.336 -22.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.200 10.216 -24.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.507 8.809 -23.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.398 8.770 -24.633 1.00 0.00 H new ATOM 1247 N ASP A 77 3.512 11.784 -17.706 1.00 0.00 N ATOM 1248 CA ASP A 77 4.057 12.589 -16.615 1.00 0.00 C ATOM 1249 C ASP A 77 3.252 13.885 -16.652 1.00 0.00 C ATOM 1250 O ASP A 77 2.759 14.254 -17.721 1.00 0.00 O ATOM 1251 CB ASP A 77 5.554 12.833 -16.887 1.00 0.00 C ATOM 1252 CG ASP A 77 6.327 13.592 -15.797 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.785 13.861 -14.703 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.527 13.866 -16.037 1.00 0.00 O ATOM 0 H ASP A 77 2.984 12.345 -18.374 1.00 0.00 H new ATOM 0 HA ASP A 77 3.984 12.117 -15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.036 11.867 -17.040 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.647 13.387 -17.821 1.00 0.00 H new ATOM 1259 N MET A 78 3.036 14.549 -15.522 1.00 0.00 N ATOM 1260 CA MET A 78 2.334 15.831 -15.498 1.00 0.00 C ATOM 1261 C MET A 78 3.299 16.942 -15.927 1.00 0.00 C ATOM 1262 O MET A 78 4.480 16.892 -15.581 1.00 0.00 O ATOM 1263 CB MET A 78 1.813 16.080 -14.078 1.00 0.00 C ATOM 1264 CG MET A 78 0.502 15.347 -13.771 1.00 0.00 C ATOM 1265 SD MET A 78 0.441 13.538 -13.918 1.00 0.00 S ATOM 1266 CE MET A 78 -0.228 13.324 -15.588 1.00 0.00 C ATOM 0 H MET A 78 3.338 14.220 -14.605 1.00 0.00 H new ATOM 0 HA MET A 78 1.490 15.820 -16.188 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.572 15.767 -13.361 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.663 17.150 -13.937 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.214 15.603 -12.751 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.264 15.755 -14.430 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.318 12.261 -15.810 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.210 13.792 -15.649 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.442 13.790 -16.311 1.00 0.00 H new ATOM 1276 N TYR A 79 2.810 17.985 -16.610 1.00 0.00 N ATOM 1277 CA TYR A 79 3.631 19.099 -17.091 1.00 0.00 C ATOM 1278 C TYR A 79 2.913 20.429 -16.873 1.00 0.00 C ATOM 1279 O TYR A 79 1.686 20.480 -16.766 1.00 0.00 O ATOM 1280 CB TYR A 79 3.974 18.935 -18.584 1.00 0.00 C ATOM 1281 CG TYR A 79 4.840 17.749 -18.965 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.236 16.508 -19.225 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.229 17.897 -19.142 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.010 15.403 -19.613 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.012 16.799 -19.547 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.408 15.537 -19.762 1.00 0.00 C ATOM 1287 OH TYR A 79 7.169 14.462 -20.114 1.00 0.00 O ATOM 0 H TYR A 79 1.822 18.078 -16.846 1.00 0.00 H new ATOM 0 HA TYR A 79 4.559 19.094 -16.519 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.039 18.865 -19.141 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.477 19.843 -18.918 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.166 16.403 -19.125 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.695 18.855 -18.967 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.536 14.450 -19.798 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.075 16.920 -19.694 1.00 0.00 H new ATOM 0 HH TYR A 79 8.109 14.732 -20.173 1.00 0.00 H new ATOM 1297 N VAL A 80 3.693 21.508 -16.843 1.00 0.00 N ATOM 1298 CA VAL A 80 3.258 22.866 -16.567 1.00 0.00 C ATOM 1299 C VAL A 80 4.030 23.802 -17.488 1.00 0.00 C ATOM 1300 O VAL A 80 5.211 23.582 -17.762 1.00 0.00 O ATOM 1301 CB VAL A 80 3.469 23.233 -15.077 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.348 22.675 -14.191 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.818 22.762 -14.502 1.00 0.00 C ATOM 0 H VAL A 80 4.696 21.450 -17.020 1.00 0.00 H new ATOM 0 HA VAL A 80 2.189 22.961 -16.757 1.00 0.00 H new ATOM 0 HB VAL A 80 3.458 24.323 -15.064 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.532 22.953 -13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.391 23.086 -14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.324 21.589 -14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.890 23.057 -13.455 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.887 21.677 -14.579 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.633 23.219 -15.064 1.00 0.00 H new ATOM 1313 N GLU A 81 3.355 24.834 -17.983 1.00 0.00 N ATOM 1314 CA GLU A 81 3.996 25.926 -18.694 1.00 0.00 C ATOM 1315 C GLU A 81 4.591 26.841 -17.627 1.00 0.00 C ATOM 1316 O GLU A 81 3.929 27.115 -16.621 1.00 0.00 O ATOM 1317 CB GLU A 81 2.976 26.681 -19.557 1.00 0.00 C ATOM 1318 CG GLU A 81 2.438 25.811 -20.702 1.00 0.00 C ATOM 1319 CD GLU A 81 1.518 26.618 -21.636 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.312 26.769 -21.334 1.00 0.00 O ATOM 1321 OE2 GLU A 81 1.986 27.095 -22.695 1.00 0.00 O ATOM 0 H GLU A 81 2.343 24.934 -17.900 1.00 0.00 H new ATOM 0 HA GLU A 81 4.769 25.560 -19.370 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.146 27.012 -18.932 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.442 27.576 -19.969 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.272 25.403 -21.274 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.889 24.964 -20.290 1.00 0.00 H new ATOM 1328 N VAL A 82 5.817 27.318 -17.827 1.00 0.00 N ATOM 1329 CA VAL A 82 6.544 28.095 -16.829 1.00 0.00 C ATOM 1330 C VAL A 82 7.268 29.253 -17.512 1.00 0.00 C ATOM 1331 O VAL A 82 7.673 29.130 -18.665 1.00 0.00 O ATOM 1332 CB VAL A 82 7.494 27.196 -15.996 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.776 25.996 -15.357 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.699 26.653 -16.781 1.00 0.00 C ATOM 0 H VAL A 82 6.337 27.175 -18.693 1.00 0.00 H new ATOM 0 HA VAL A 82 5.838 28.520 -16.116 1.00 0.00 H new ATOM 0 HB VAL A 82 7.856 27.874 -15.223 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.493 25.405 -14.787 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.991 26.354 -14.692 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.335 25.377 -16.139 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.312 26.035 -16.125 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.346 26.053 -17.620 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.295 27.486 -17.155 1.00 0.00 H new ATOM 1344 N ALA A 83 7.461 30.362 -16.803 1.00 0.00 N ATOM 1345 CA ALA A 83 8.178 31.539 -17.263 1.00 0.00 C ATOM 1346 C ALA A 83 9.350 31.709 -16.310 1.00 0.00 C ATOM 1347 O ALA A 83 9.186 31.643 -15.091 1.00 0.00 O ATOM 1348 CB ALA A 83 7.260 32.765 -17.268 1.00 0.00 C ATOM 0 H ALA A 83 7.105 30.465 -15.853 1.00 0.00 H new ATOM 0 HA ALA A 83 8.529 31.427 -18.289 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.817 33.635 -17.616 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.416 32.585 -17.934 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.893 32.949 -16.258 1.00 0.00 H new ATOM 1354 N ASP A 84 10.541 31.879 -16.870 1.00 0.00 N ATOM 1355 CA ASP A 84 11.788 31.831 -16.123 1.00 0.00 C ATOM 1356 C ASP A 84 12.111 33.197 -15.531 1.00 0.00 C ATOM 1357 O ASP A 84 12.738 34.037 -16.180 1.00 0.00 O ATOM 1358 CB ASP A 84 12.897 31.302 -17.037 1.00 0.00 C ATOM 1359 CG ASP A 84 14.227 31.047 -16.322 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.302 31.154 -15.080 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.180 30.656 -17.035 1.00 0.00 O ATOM 0 H ASP A 84 10.668 32.056 -17.866 1.00 0.00 H new ATOM 0 HA ASP A 84 11.696 31.148 -15.279 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.561 30.373 -17.498 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.061 32.017 -17.843 1.00 0.00 H new ATOM 1366 N ILE A 85 11.638 33.428 -14.304 1.00 0.00 N ATOM 1367 CA ILE A 85 11.907 34.641 -13.534 1.00 0.00 C ATOM 1368 C ILE A 85 13.429 34.785 -13.344 1.00 0.00 C ATOM 1369 O ILE A 85 13.962 35.893 -13.412 1.00 0.00 O ATOM 1370 CB ILE A 85 11.175 34.630 -12.166 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.722 34.095 -12.196 1.00 0.00 C ATOM 1372 CG2 ILE A 85 11.133 36.056 -11.590 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.137 33.906 -10.788 1.00 0.00 C ATOM 0 H ILE A 85 11.045 32.762 -13.809 1.00 0.00 H new ATOM 0 HA ILE A 85 11.524 35.499 -14.086 1.00 0.00 H new ATOM 0 HB ILE A 85 11.753 33.941 -11.550 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.094 34.788 -12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.699 33.143 -12.726 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.618 36.045 -10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.150 36.423 -11.453 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.601 36.711 -12.279 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.117 33.529 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.746 33.192 -10.234 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.132 34.862 -10.265 1.00 0.00 H new ATOM 1385 N GLY A 86 14.140 33.665 -13.166 1.00 0.00 N ATOM 1386 CA GLY A 86 15.593 33.601 -13.062 1.00 0.00 C ATOM 1387 C GLY A 86 16.298 33.644 -14.426 1.00 0.00 C ATOM 1388 O GLY A 86 17.473 33.280 -14.512 1.00 0.00 O ATOM 0 H GLY A 86 13.699 32.749 -13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.944 34.433 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.874 32.684 -12.543 1.00 0.00 H new ATOM 1392 N GLY A 87 15.606 34.075 -15.483 1.00 0.00 N ATOM 1393 CA GLY A 87 16.082 34.123 -16.854 1.00 0.00 C ATOM 1394 C GLY A 87 15.471 35.335 -17.543 1.00 0.00 C ATOM 1395 O GLY A 87 15.504 36.440 -16.993 1.00 0.00 O ATOM 0 H GLY A 87 14.649 34.416 -15.393 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.170 34.186 -16.874 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.806 33.210 -17.382 1.00 0.00 H new ATOM 1399 N LYS A 88 14.936 35.143 -18.755 1.00 0.00 N ATOM 1400 CA LYS A 88 14.419 36.244 -19.570 1.00 0.00 C ATOM 1401 C LYS A 88 13.273 36.992 -18.880 1.00 0.00 C ATOM 1402 O LYS A 88 13.111 38.186 -19.129 1.00 0.00 O ATOM 1403 CB LYS A 88 13.955 35.753 -20.955 1.00 0.00 C ATOM 1404 CG LYS A 88 15.006 34.931 -21.724 1.00 0.00 C ATOM 1405 CD LYS A 88 14.625 34.827 -23.210 1.00 0.00 C ATOM 1406 CE LYS A 88 15.386 33.728 -23.966 1.00 0.00 C ATOM 1407 NZ LYS A 88 14.777 32.386 -23.793 1.00 0.00 N ATOM 0 H LYS A 88 14.851 34.226 -19.194 1.00 0.00 H new ATOM 0 HA LYS A 88 15.249 36.939 -19.699 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.058 35.147 -20.830 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.675 36.617 -21.558 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.986 35.399 -21.625 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.084 33.933 -21.292 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.555 34.636 -23.289 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.814 35.786 -23.693 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.414 33.976 -25.027 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.418 33.701 -23.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.417 31.662 -24.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.618 32.205 -22.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.869 32.349 -24.298 1.00 0.00 H new ATOM 1421 N ASP A 89 12.480 36.303 -18.046 1.00 0.00 N ATOM 1422 CA ASP A 89 11.250 36.802 -17.410 1.00 0.00 C ATOM 1423 C ASP A 89 10.277 37.449 -18.416 1.00 0.00 C ATOM 1424 O ASP A 89 9.499 38.346 -18.090 1.00 0.00 O ATOM 1425 CB ASP A 89 11.607 37.710 -16.224 1.00 0.00 C ATOM 1426 CG ASP A 89 10.384 38.086 -15.367 1.00 0.00 C ATOM 1427 OD1 ASP A 89 9.560 37.201 -15.044 1.00 0.00 O ATOM 1428 OD2 ASP A 89 10.271 39.267 -14.965 1.00 0.00 O ATOM 0 H ASP A 89 12.687 35.339 -17.784 1.00 0.00 H new ATOM 0 HA ASP A 89 10.696 35.951 -17.014 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.343 37.207 -15.597 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.076 38.620 -16.598 1.00 0.00 H new ATOM 1433 N ASP A 90 10.350 37.005 -19.674 1.00 0.00 N ATOM 1434 CA ASP A 90 9.635 37.569 -20.826 1.00 0.00 C ATOM 1435 C ASP A 90 9.413 36.494 -21.907 1.00 0.00 C ATOM 1436 O ASP A 90 9.121 36.792 -23.065 1.00 0.00 O ATOM 1437 CB ASP A 90 10.446 38.753 -21.381 1.00 0.00 C ATOM 1438 CG ASP A 90 9.698 39.540 -22.473 1.00 0.00 C ATOM 1439 OD1 ASP A 90 8.535 39.950 -22.252 1.00 0.00 O ATOM 1440 OD2 ASP A 90 10.294 39.821 -23.538 1.00 0.00 O ATOM 0 H ASP A 90 10.934 36.209 -19.930 1.00 0.00 H new ATOM 0 HA ASP A 90 8.653 37.922 -20.512 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.698 39.428 -20.563 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.386 38.382 -21.789 1.00 0.00 H new ATOM 1445 N ASP A 91 9.590 35.222 -21.540 1.00 0.00 N ATOM 1446 CA ASP A 91 9.523 34.061 -22.426 1.00 0.00 C ATOM 1447 C ASP A 91 9.041 32.866 -21.602 1.00 0.00 C ATOM 1448 O ASP A 91 9.137 32.891 -20.369 1.00 0.00 O ATOM 1449 CB ASP A 91 10.910 33.805 -23.033 1.00 0.00 C ATOM 1450 CG ASP A 91 10.941 32.704 -24.106 1.00 0.00 C ATOM 1451 OD1 ASP A 91 9.893 32.401 -24.721 1.00 0.00 O ATOM 1452 OD2 ASP A 91 12.051 32.193 -24.379 1.00 0.00 O ATOM 0 H ASP A 91 9.793 34.964 -20.574 1.00 0.00 H new ATOM 0 HA ASP A 91 8.828 34.230 -23.248 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.278 34.733 -23.471 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.599 33.535 -22.233 1.00 0.00 H new ATOM 1457 N VAL A 92 8.524 31.832 -22.262 1.00 0.00 N ATOM 1458 CA VAL A 92 7.827 30.722 -21.632 1.00 0.00 C ATOM 1459 C VAL A 92 8.371 29.387 -22.150 1.00 0.00 C ATOM 1460 O VAL A 92 8.870 29.275 -23.275 1.00 0.00 O ATOM 1461 CB VAL A 92 6.310 30.923 -21.844 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.874 30.834 -23.316 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.443 29.985 -20.995 1.00 0.00 C ATOM 0 H VAL A 92 8.582 31.744 -23.277 1.00 0.00 H new ATOM 0 HA VAL A 92 8.002 30.696 -20.556 1.00 0.00 H new ATOM 0 HB VAL A 92 6.140 31.944 -21.504 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.797 30.985 -23.386 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.387 31.603 -23.894 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.129 29.851 -23.712 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.390 30.182 -21.195 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.673 28.950 -21.247 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.649 30.156 -19.938 1.00 0.00 H new ATOM 1473 N TYR A 93 8.267 28.383 -21.287 1.00 0.00 N ATOM 1474 CA TYR A 93 8.864 27.064 -21.398 1.00 0.00 C ATOM 1475 C TYR A 93 7.847 26.051 -20.857 1.00 0.00 C ATOM 1476 O TYR A 93 6.775 26.432 -20.379 1.00 0.00 O ATOM 1477 CB TYR A 93 10.170 27.027 -20.572 1.00 0.00 C ATOM 1478 CG TYR A 93 11.110 28.210 -20.765 1.00 0.00 C ATOM 1479 CD1 TYR A 93 10.918 29.385 -20.012 1.00 0.00 C ATOM 1480 CD2 TYR A 93 12.161 28.149 -21.702 1.00 0.00 C ATOM 1481 CE1 TYR A 93 11.740 30.505 -20.215 1.00 0.00 C ATOM 1482 CE2 TYR A 93 13.012 29.255 -21.884 1.00 0.00 C ATOM 1483 CZ TYR A 93 12.804 30.440 -21.140 1.00 0.00 C ATOM 1484 OH TYR A 93 13.633 31.509 -21.304 1.00 0.00 O ATOM 0 H TYR A 93 7.723 28.480 -20.430 1.00 0.00 H new ATOM 0 HA TYR A 93 9.110 26.823 -22.432 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.908 26.964 -19.516 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.710 26.114 -20.822 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.132 29.425 -19.272 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.314 27.251 -22.282 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.558 31.416 -19.664 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.825 29.199 -22.593 1.00 0.00 H new ATOM 0 HH TYR A 93 13.694 32.008 -20.463 1.00 0.00 H new ATOM 1494 N THR A 94 8.202 24.769 -20.873 1.00 0.00 N ATOM 1495 CA THR A 94 7.415 23.710 -20.249 1.00 0.00 C ATOM 1496 C THR A 94 8.360 22.892 -19.370 1.00 0.00 C ATOM 1497 O THR A 94 9.500 22.619 -19.758 1.00 0.00 O ATOM 1498 CB THR A 94 6.694 22.858 -21.315 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.185 23.659 -22.370 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.512 22.087 -20.719 1.00 0.00 C ATOM 0 H THR A 94 9.053 24.433 -21.324 1.00 0.00 H new ATOM 0 HA THR A 94 6.623 24.125 -19.626 1.00 0.00 H new ATOM 0 HB THR A 94 7.444 22.164 -21.695 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.737 23.087 -23.028 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.030 21.499 -21.500 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.870 21.422 -19.933 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.793 22.791 -20.299 1.00 0.00 H new ATOM 1508 N ALA A 95 7.875 22.507 -18.192 1.00 0.00 N ATOM 1509 CA ALA A 95 8.582 21.699 -17.214 1.00 0.00 C ATOM 1510 C ALA A 95 7.644 20.578 -16.784 1.00 0.00 C ATOM 1511 O ALA A 95 6.424 20.746 -16.823 1.00 0.00 O ATOM 1512 CB ALA A 95 8.955 22.578 -16.013 1.00 0.00 C ATOM 0 H ALA A 95 6.937 22.763 -17.884 1.00 0.00 H new ATOM 0 HA ALA A 95 9.498 21.280 -17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.486 21.978 -15.274 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.595 23.395 -16.345 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.049 22.986 -15.565 1.00 0.00 H new ATOM 1518 N LYS A 96 8.189 19.431 -16.369 1.00 0.00 N ATOM 1519 CA LYS A 96 7.348 18.428 -15.735 1.00 0.00 C ATOM 1520 C LYS A 96 7.035 18.932 -14.336 1.00 0.00 C ATOM 1521 O LYS A 96 7.907 19.486 -13.664 1.00 0.00 O ATOM 1522 CB LYS A 96 7.923 17.003 -15.751 1.00 0.00 C ATOM 1523 CG LYS A 96 9.389 16.803 -15.331 1.00 0.00 C ATOM 1524 CD LYS A 96 10.424 16.876 -16.467 1.00 0.00 C ATOM 1525 CE LYS A 96 10.155 15.916 -17.641 1.00 0.00 C ATOM 1526 NZ LYS A 96 9.953 14.502 -17.230 1.00 0.00 N ATOM 0 H LYS A 96 9.175 19.184 -16.458 1.00 0.00 H new ATOM 0 HA LYS A 96 6.433 18.313 -16.316 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.304 16.387 -15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.810 16.610 -16.762 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.641 17.558 -14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.479 15.832 -14.844 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.454 17.897 -16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.410 16.660 -16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.271 16.257 -18.181 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.992 15.966 -18.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.229 13.871 -18.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.538 14.296 -16.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.951 14.348 -16.998 1.00 0.00 H new ATOM 1540 N LEU A 97 5.815 18.687 -13.865 1.00 0.00 N ATOM 1541 CA LEU A 97 5.441 18.933 -12.474 1.00 0.00 C ATOM 1542 C LEU A 97 6.349 18.119 -11.543 1.00 0.00 C ATOM 1543 O LEU A 97 6.659 18.553 -10.438 1.00 0.00 O ATOM 1544 CB LEU A 97 3.958 18.581 -12.263 1.00 0.00 C ATOM 1545 CG LEU A 97 3.391 19.042 -10.903 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.375 20.572 -10.781 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.960 18.517 -10.751 1.00 0.00 C ATOM 0 H LEU A 97 5.058 18.312 -14.436 1.00 0.00 H new ATOM 0 HA LEU A 97 5.573 19.989 -12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.371 19.033 -13.062 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.836 17.501 -12.349 1.00 0.00 H new ATOM 0 HG LEU A 97 4.036 18.645 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.969 20.855 -9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.391 20.955 -10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.753 20.994 -11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.554 18.839 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.341 18.910 -11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.965 17.428 -10.795 1.00 0.00 H new ATOM 1559 N SER A 98 6.831 16.972 -12.028 1.00 0.00 N ATOM 1560 CA SER A 98 7.806 16.114 -11.370 1.00 0.00 C ATOM 1561 C SER A 98 9.159 16.801 -11.093 1.00 0.00 C ATOM 1562 O SER A 98 9.929 16.292 -10.278 1.00 0.00 O ATOM 1563 CB SER A 98 7.968 14.874 -12.256 1.00 0.00 C ATOM 1564 OG SER A 98 6.722 14.214 -12.328 1.00 0.00 O ATOM 0 H SER A 98 6.535 16.604 -12.932 1.00 0.00 H new ATOM 0 HA SER A 98 7.440 15.851 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.304 15.161 -13.253 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.727 14.209 -11.843 1.00 0.00 H new ATOM 0 HG SER A 98 6.632 13.779 -13.201 1.00 0.00 H new ATOM 1570 N ASP A 99 9.435 17.962 -11.702 1.00 0.00 N ATOM 1571 CA ASP A 99 10.660 18.742 -11.496 1.00 0.00 C ATOM 1572 C ASP A 99 10.310 20.107 -10.888 1.00 0.00 C ATOM 1573 O ASP A 99 11.154 20.995 -10.857 1.00 0.00 O ATOM 1574 CB ASP A 99 11.447 18.923 -12.816 1.00 0.00 C ATOM 1575 CG ASP A 99 12.315 17.735 -13.260 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.071 16.575 -12.859 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.253 17.984 -14.052 1.00 0.00 O ATOM 0 H ASP A 99 8.795 18.395 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 99 11.301 18.194 -10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.735 19.142 -13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.090 19.797 -12.714 1.00 0.00 H new ATOM 1582 N ILE A 100 9.086 20.322 -10.404 1.00 0.00 N ATOM 1583 CA ILE A 100 8.646 21.598 -9.847 1.00 0.00 C ATOM 1584 C ILE A 100 8.376 21.415 -8.361 1.00 0.00 C ATOM 1585 O ILE A 100 7.875 20.385 -7.906 1.00 0.00 O ATOM 1586 CB ILE A 100 7.440 22.137 -10.658 1.00 0.00 C ATOM 1587 CG1 ILE A 100 7.974 22.861 -11.912 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.443 23.021 -9.879 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.325 24.344 -11.747 1.00 0.00 C ATOM 0 H ILE A 100 8.363 19.603 -10.389 1.00 0.00 H new ATOM 0 HA ILE A 100 9.419 22.362 -9.932 1.00 0.00 H new ATOM 0 HB ILE A 100 6.841 21.267 -10.928 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.865 22.336 -12.256 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.227 22.773 -12.701 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.642 23.340 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.021 22.451 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.961 23.897 -9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.688 24.740 -12.695 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.437 24.896 -11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.100 24.452 -10.988 1.00 0.00 H new ATOM 1601 N GLU A 101 8.690 22.472 -7.624 1.00 0.00 N ATOM 1602 CA GLU A 101 8.395 22.617 -6.209 1.00 0.00 C ATOM 1603 C GLU A 101 7.759 23.996 -6.053 1.00 0.00 C ATOM 1604 O GLU A 101 8.418 25.013 -6.278 1.00 0.00 O ATOM 1605 CB GLU A 101 9.691 22.440 -5.401 1.00 0.00 C ATOM 1606 CG GLU A 101 9.450 22.454 -3.886 1.00 0.00 C ATOM 1607 CD GLU A 101 10.763 22.276 -3.101 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.379 21.187 -3.173 1.00 0.00 O ATOM 1609 OE2 GLU A 101 11.180 23.218 -2.389 1.00 0.00 O ATOM 0 H GLU A 101 9.175 23.281 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 101 7.705 21.863 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.163 21.498 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.388 23.236 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.980 23.395 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.756 21.657 -3.620 1.00 0.00 H new ATOM 1616 N ALA A 102 6.458 24.043 -5.757 1.00 0.00 N ATOM 1617 CA ALA A 102 5.739 25.305 -5.638 1.00 0.00 C ATOM 1618 C ALA A 102 6.222 26.074 -4.408 1.00 0.00 C ATOM 1619 O ALA A 102 6.591 25.484 -3.388 1.00 0.00 O ATOM 1620 CB ALA A 102 4.233 25.057 -5.547 1.00 0.00 C ATOM 0 H ALA A 102 5.883 23.216 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 102 5.939 25.902 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.712 26.010 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.894 24.540 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.018 24.443 -4.672 1.00 0.00 H new ATOM 1626 N ILE A 103 6.158 27.398 -4.504 1.00 0.00 N ATOM 1627 CA ILE A 103 6.583 28.336 -3.474 1.00 0.00 C ATOM 1628 C ILE A 103 5.345 29.139 -3.058 1.00 0.00 C ATOM 1629 O ILE A 103 4.622 29.661 -3.908 1.00 0.00 O ATOM 1630 CB ILE A 103 7.723 29.230 -4.023 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.992 28.406 -4.354 1.00 0.00 C ATOM 1632 CG2 ILE A 103 8.091 30.347 -3.028 1.00 0.00 C ATOM 1633 CD1 ILE A 103 10.021 29.181 -5.188 1.00 0.00 C ATOM 0 H ILE A 103 5.794 27.864 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 103 6.986 27.829 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 103 7.346 29.679 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.459 28.082 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.701 27.506 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.894 30.955 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.218 30.974 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.422 29.903 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.884 28.545 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.570 29.482 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.340 30.067 -4.640 1.00 0.00 H new ATOM 1645 N ASP A 104 5.147 29.261 -1.740 1.00 0.00 N ATOM 1646 CA ASP A 104 4.113 30.080 -1.094 1.00 0.00 C ATOM 1647 C ASP A 104 2.713 29.884 -1.705 1.00 0.00 C ATOM 1648 O ASP A 104 1.956 30.837 -1.906 1.00 0.00 O ATOM 1649 CB ASP A 104 4.572 31.548 -1.041 1.00 0.00 C ATOM 1650 CG ASP A 104 3.641 32.432 -0.188 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.273 32.032 0.941 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.322 33.567 -0.610 1.00 0.00 O ATOM 0 H ASP A 104 5.730 28.769 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 104 3.994 29.736 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.582 31.594 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.617 31.947 -2.054 1.00 0.00 H new ATOM 1657 N VAL A 105 2.383 28.636 -2.051 1.00 0.00 N ATOM 1658 CA VAL A 105 1.131 28.286 -2.720 1.00 0.00 C ATOM 1659 C VAL A 105 0.084 27.836 -1.687 1.00 0.00 C ATOM 1660 O VAL A 105 0.400 27.679 -0.502 1.00 0.00 O ATOM 1661 CB VAL A 105 1.436 27.270 -3.844 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.596 25.817 -3.369 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.438 27.408 -4.994 1.00 0.00 C ATOM 0 H VAL A 105 2.986 27.833 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 105 0.678 29.149 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 105 2.425 27.532 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.808 25.176 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.419 25.756 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.675 25.488 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.676 26.682 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.571 27.226 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.497 28.415 -5.408 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.170 27.650 -2.118 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.233 27.168 -1.238 1.00 0.00 C ATOM 1675 C ASP A 106 -1.963 25.738 -0.790 1.00 0.00 C ATOM 1676 O ASP A 106 -1.269 24.960 -1.446 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.605 27.213 -1.914 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.738 26.765 -0.980 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.953 27.426 0.060 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.345 25.703 -1.235 1.00 0.00 O ATOM 0 H ASP A 106 -1.471 27.828 -3.076 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.242 27.835 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.803 28.228 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.592 26.573 -2.797 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.603 25.390 0.312 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.486 24.098 0.973 1.00 0.00 C ATOM 1687 C ASP A 107 -2.877 22.958 0.037 1.00 0.00 C ATOM 1688 O ASP A 107 -2.172 21.954 -0.019 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.363 24.072 2.227 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.311 22.696 2.912 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.297 22.388 3.576 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.307 21.942 2.836 1.00 0.00 O ATOM 0 H ASP A 107 -3.244 26.023 0.791 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.443 23.957 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.029 24.841 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.393 24.309 1.959 1.00 0.00 H new ATOM 1697 N ASP A 108 -3.952 23.113 -0.741 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.450 22.031 -1.585 1.00 0.00 C ATOM 1699 C ASP A 108 -3.580 21.877 -2.839 1.00 0.00 C ATOM 1700 O ASP A 108 -3.426 20.773 -3.359 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.922 22.296 -1.938 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.719 21.035 -2.326 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.313 19.897 -2.003 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.831 21.194 -2.880 1.00 0.00 O ATOM 0 H ASP A 108 -4.491 23.977 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.393 21.088 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.408 22.771 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.963 23.006 -2.764 1.00 0.00 H new ATOM 1709 N THR A 109 -2.943 22.967 -3.291 1.00 0.00 N ATOM 1710 CA THR A 109 -1.956 22.920 -4.370 1.00 0.00 C ATOM 1711 C THR A 109 -0.714 22.184 -3.862 1.00 0.00 C ATOM 1712 O THR A 109 -0.229 21.270 -4.530 1.00 0.00 O ATOM 1713 CB THR A 109 -1.633 24.351 -4.851 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.842 24.996 -5.195 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.767 24.398 -6.110 1.00 0.00 C ATOM 0 H THR A 109 -3.100 23.903 -2.917 1.00 0.00 H new ATOM 0 HA THR A 109 -2.349 22.377 -5.230 1.00 0.00 H new ATOM 0 HB THR A 109 -1.093 24.827 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.494 24.330 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.583 25.436 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.183 23.900 -5.917 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.283 23.892 -6.926 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.226 22.532 -2.664 1.00 0.00 N ATOM 1724 CA GLN A 110 0.953 21.905 -2.089 1.00 0.00 C ATOM 1725 C GLN A 110 0.684 20.412 -1.870 1.00 0.00 C ATOM 1726 O GLN A 110 1.497 19.586 -2.275 1.00 0.00 O ATOM 1727 CB GLN A 110 1.354 22.634 -0.791 1.00 0.00 C ATOM 1728 CG GLN A 110 2.857 22.540 -0.480 1.00 0.00 C ATOM 1729 CD GLN A 110 3.350 21.104 -0.282 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.018 20.444 0.698 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.140 20.588 -1.211 1.00 0.00 N ATOM 0 H GLN A 110 -0.641 23.254 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 110 1.797 21.986 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.071 23.684 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.791 22.214 0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.418 23.000 -1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.071 23.117 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.408 21.148 -2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.480 19.631 -1.117 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.466 20.047 -1.296 1.00 0.00 N ATOM 1741 CA GLU A 111 -0.811 18.651 -1.057 1.00 0.00 C ATOM 1742 C GLU A 111 -0.889 17.869 -2.361 1.00 0.00 C ATOM 1743 O GLU A 111 -0.385 16.751 -2.407 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.137 18.534 -0.291 1.00 0.00 C ATOM 1745 CG GLU A 111 -1.964 18.799 1.210 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.103 17.739 1.932 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.180 16.536 1.588 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.355 18.103 2.868 1.00 0.00 O ATOM 0 H GLU A 111 -1.177 20.710 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.017 18.220 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.856 19.242 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.552 17.537 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.508 19.779 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.947 18.837 1.679 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.466 18.439 -3.420 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.531 17.773 -4.717 1.00 0.00 C ATOM 1757 C ALA A 112 -0.131 17.541 -5.298 1.00 0.00 C ATOM 1758 O ALA A 112 0.141 16.465 -5.833 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.387 18.600 -5.676 1.00 0.00 C ATOM 0 H ALA A 112 -1.896 19.364 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.991 16.794 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.434 18.101 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.394 18.701 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.944 19.588 -5.799 1.00 0.00 H new ATOM 1765 N ILE A 113 0.764 18.527 -5.184 1.00 0.00 N ATOM 1766 CA ILE A 113 2.142 18.402 -5.648 1.00 0.00 C ATOM 1767 C ILE A 113 2.860 17.324 -4.835 1.00 0.00 C ATOM 1768 O ILE A 113 3.470 16.436 -5.426 1.00 0.00 O ATOM 1769 CB ILE A 113 2.828 19.781 -5.578 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.235 20.673 -6.687 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.359 19.696 -5.714 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.463 22.156 -6.422 1.00 0.00 C ATOM 0 H ILE A 113 0.550 19.433 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 113 2.177 18.082 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 113 2.638 20.209 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.683 20.404 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.165 20.482 -6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.785 20.697 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.762 19.083 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.615 19.247 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.027 22.741 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.992 22.434 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.533 22.355 -6.366 1.00 0.00 H new ATOM 1784 N ALA A 114 2.770 17.366 -3.503 1.00 0.00 N ATOM 1785 CA ALA A 114 3.380 16.365 -2.638 1.00 0.00 C ATOM 1786 C ALA A 114 2.862 14.971 -2.999 1.00 0.00 C ATOM 1787 O ALA A 114 3.651 14.046 -3.159 1.00 0.00 O ATOM 1788 CB ALA A 114 3.082 16.696 -1.171 1.00 0.00 C ATOM 0 H ALA A 114 2.270 18.098 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 114 4.460 16.374 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.540 15.944 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.490 17.678 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.004 16.702 -1.011 1.00 0.00 H new ATOM 1794 N ASP A 115 1.548 14.841 -3.188 1.00 0.00 N ATOM 1795 CA ASP A 115 0.893 13.576 -3.517 1.00 0.00 C ATOM 1796 C ASP A 115 1.423 12.987 -4.823 1.00 0.00 C ATOM 1797 O ASP A 115 1.687 11.786 -4.917 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.623 13.778 -3.627 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.385 12.455 -3.541 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.128 11.704 -2.575 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.310 12.242 -4.351 1.00 0.00 O ATOM 0 H ASP A 115 0.899 15.625 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 115 1.115 12.875 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.959 14.442 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.856 14.270 -4.572 1.00 0.00 H new ATOM 1806 N TRP A 116 1.626 13.848 -5.821 1.00 0.00 N ATOM 1807 CA TRP A 116 2.188 13.456 -7.102 1.00 0.00 C ATOM 1808 C TRP A 116 3.663 13.078 -6.949 1.00 0.00 C ATOM 1809 O TRP A 116 4.103 12.074 -7.508 1.00 0.00 O ATOM 1810 CB TRP A 116 2.016 14.591 -8.119 1.00 0.00 C ATOM 1811 CG TRP A 116 2.686 14.319 -9.429 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.753 14.985 -9.925 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.436 13.220 -10.358 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.178 14.374 -11.085 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.407 13.277 -11.399 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.519 12.150 -10.397 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.462 12.324 -12.426 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.547 11.201 -11.435 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.519 11.284 -12.447 1.00 0.00 C ATOM 0 H TRP A 116 1.402 14.841 -5.757 1.00 0.00 H new ATOM 0 HA TRP A 116 1.654 12.579 -7.468 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.953 14.758 -8.290 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.419 15.512 -7.697 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.203 15.861 -9.481 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.968 14.696 -11.644 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.780 12.057 -9.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.221 12.389 -13.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.818 10.404 -11.454 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.540 10.550 -13.239 1.00 0.00 H new ATOM 1830 N LEU A 117 4.436 13.850 -6.179 1.00 0.00 N ATOM 1831 CA LEU A 117 5.849 13.575 -5.957 1.00 0.00 C ATOM 1832 C LEU A 117 6.038 12.265 -5.189 1.00 0.00 C ATOM 1833 O LEU A 117 7.026 11.575 -5.435 1.00 0.00 O ATOM 1834 CB LEU A 117 6.528 14.748 -5.232 1.00 0.00 C ATOM 1835 CG LEU A 117 6.696 16.010 -6.107 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.151 17.180 -5.230 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.699 15.808 -7.252 1.00 0.00 C ATOM 0 H LEU A 117 4.095 14.681 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 117 6.328 13.461 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.943 15.005 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.509 14.427 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 117 5.727 16.222 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.270 18.071 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.404 17.369 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.103 16.934 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.777 16.727 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.676 15.556 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.357 14.998 -7.897 1.00 0.00 H new ATOM 1849 N TYR A 118 5.105 11.875 -4.313 1.00 0.00 N ATOM 1850 CA TYR A 118 5.134 10.558 -3.691 1.00 0.00 C ATOM 1851 C TYR A 118 4.953 9.484 -4.757 1.00 0.00 C ATOM 1852 O TYR A 118 5.776 8.581 -4.836 1.00 0.00 O ATOM 1853 CB TYR A 118 4.068 10.418 -2.593 1.00 0.00 C ATOM 1854 CG TYR A 118 4.144 11.417 -1.451 1.00 0.00 C ATOM 1855 CD1 TYR A 118 5.385 11.862 -0.951 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.952 11.907 -0.885 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.437 12.795 0.097 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.993 12.874 0.133 1.00 0.00 C ATOM 1859 CZ TYR A 118 4.238 13.314 0.639 1.00 0.00 C ATOM 1860 OH TYR A 118 4.267 14.236 1.644 1.00 0.00 O ATOM 0 H TYR A 118 4.321 12.459 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 118 6.104 10.432 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 118 3.085 10.503 -3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 118 4.137 9.414 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.302 11.483 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 118 2.000 11.537 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.391 13.116 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.074 13.281 0.529 1.00 0.00 H new ATOM 0 HH TYR A 118 3.350 14.480 1.890 1.00 0.00 H new ATOM 1870 N TRP A 119 3.935 9.586 -5.615 1.00 0.00 N ATOM 1871 CA TRP A 119 3.721 8.622 -6.693 1.00 0.00 C ATOM 1872 C TRP A 119 4.944 8.548 -7.622 1.00 0.00 C ATOM 1873 O TRP A 119 5.344 7.454 -8.026 1.00 0.00 O ATOM 1874 CB TRP A 119 2.423 8.987 -7.424 1.00 0.00 C ATOM 1875 CG TRP A 119 2.166 8.331 -8.748 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.816 8.635 -9.892 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.152 7.347 -9.130 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.313 7.896 -10.936 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.246 7.126 -10.537 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.132 6.647 -8.447 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.364 6.286 -11.228 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.779 5.823 -9.136 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.667 5.643 -10.526 1.00 0.00 C ATOM 0 H TRP A 119 3.242 10.333 -5.582 1.00 0.00 H new ATOM 0 HA TRP A 119 3.608 7.617 -6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.588 8.752 -6.764 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.415 10.066 -7.576 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.616 9.355 -9.975 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.684 7.916 -11.886 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.049 6.746 -7.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.476 6.134 -12.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.569 5.326 -8.593 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.371 5.013 -11.050 1.00 0.00 H new ATOM 1894 N LEU A 120 5.590 9.677 -7.925 1.00 0.00 N ATOM 1895 CA LEU A 120 6.824 9.706 -8.699 1.00 0.00 C ATOM 1896 C LEU A 120 7.917 8.914 -7.980 1.00 0.00 C ATOM 1897 O LEU A 120 8.471 7.972 -8.547 1.00 0.00 O ATOM 1898 CB LEU A 120 7.245 11.168 -8.909 1.00 0.00 C ATOM 1899 CG LEU A 120 8.551 11.333 -9.707 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.349 10.984 -11.186 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.035 12.775 -9.543 1.00 0.00 C ATOM 0 H LEU A 120 5.266 10.600 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 120 6.664 9.240 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.445 11.695 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.363 11.645 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 120 9.303 10.644 -9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.290 11.111 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.018 9.949 -11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.595 11.644 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.961 12.914 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.276 13.459 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.213 12.981 -8.488 1.00 0.00 H new ATOM 1913 N ALA A 121 8.203 9.266 -6.723 1.00 0.00 N ATOM 1914 CA ALA A 121 9.246 8.637 -5.921 1.00 0.00 C ATOM 1915 C ALA A 121 8.944 7.163 -5.617 1.00 0.00 C ATOM 1916 O ALA A 121 9.865 6.389 -5.352 1.00 0.00 O ATOM 1917 CB ALA A 121 9.419 9.432 -4.624 1.00 0.00 C ATOM 0 H ALA A 121 7.706 10.008 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 121 10.172 8.648 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.197 8.971 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.704 10.457 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.480 9.435 -4.071 1.00 0.00 H new ATOM 1923 N ARG A 122 7.672 6.752 -5.680 1.00 0.00 N ATOM 1924 CA ARG A 122 7.246 5.365 -5.517 1.00 0.00 C ATOM 1925 C ARG A 122 7.685 4.513 -6.714 1.00 0.00 C ATOM 1926 O ARG A 122 7.652 3.286 -6.621 1.00 0.00 O ATOM 1927 CB ARG A 122 5.714 5.356 -5.292 1.00 0.00 C ATOM 1928 CG ARG A 122 5.052 3.995 -5.038 1.00 0.00 C ATOM 1929 CD ARG A 122 5.541 3.299 -3.757 1.00 0.00 C ATOM 1930 NE ARG A 122 4.781 3.663 -2.551 1.00 0.00 N ATOM 1931 CZ ARG A 122 3.541 3.267 -2.231 1.00 0.00 C ATOM 1932 NH1 ARG A 122 2.793 2.581 -3.090 1.00 0.00 N ATOM 1933 NH2 ARG A 122 3.042 3.556 -1.042 1.00 0.00 N ATOM 0 H ARG A 122 6.896 7.392 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 122 7.724 4.913 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.493 6.003 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.241 5.804 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.972 4.132 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.243 3.343 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.484 2.220 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.591 3.545 -3.600 1.00 0.00 H new ATOM 0 HE ARG A 122 5.247 4.282 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.160 2.347 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.852 2.289 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.600 4.080 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.098 3.255 -0.798 1.00 0.00 H new ATOM 1947 N GLY A 123 8.117 5.130 -7.818 1.00 0.00 N ATOM 1948 CA GLY A 123 8.367 4.427 -9.063 1.00 0.00 C ATOM 1949 C GLY A 123 7.042 4.139 -9.766 1.00 0.00 C ATOM 1950 O GLY A 123 6.904 3.075 -10.374 1.00 0.00 O ATOM 0 H GLY A 123 8.301 6.132 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 123 9.009 5.027 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.895 3.494 -8.866 1.00 0.00 H new ATOM 1954 N TYR A 124 6.088 5.081 -9.677 1.00 0.00 N ATOM 1955 CA TYR A 124 4.728 5.007 -10.204 1.00 0.00 C ATOM 1956 C TYR A 124 3.966 3.783 -9.677 1.00 0.00 C ATOM 1957 O TYR A 124 4.438 3.080 -8.778 1.00 0.00 O ATOM 1958 CB TYR A 124 4.808 5.082 -11.738 1.00 0.00 C ATOM 1959 CG TYR A 124 4.790 6.462 -12.360 1.00 0.00 C ATOM 1960 CD1 TYR A 124 5.368 7.580 -11.726 1.00 0.00 C ATOM 1961 CD2 TYR A 124 4.205 6.605 -13.628 1.00 0.00 C ATOM 1962 CE1 TYR A 124 5.388 8.830 -12.370 1.00 0.00 C ATOM 1963 CE2 TYR A 124 4.256 7.837 -14.292 1.00 0.00 C ATOM 1964 CZ TYR A 124 4.884 8.946 -13.686 1.00 0.00 C ATOM 1965 OH TYR A 124 5.015 10.106 -14.381 1.00 0.00 O ATOM 0 H TYR A 124 6.264 5.967 -9.204 1.00 0.00 H new ATOM 0 HA TYR A 124 4.138 5.852 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 124 5.722 4.580 -12.055 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.973 4.514 -12.149 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.798 7.476 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.714 5.763 -14.093 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.786 9.696 -11.862 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.813 7.939 -15.272 1.00 0.00 H new ATOM 0 HH TYR A 124 4.724 9.967 -15.307 1.00 0.00 H new ATOM 1975 N LYS A 125 2.762 3.544 -10.215 1.00 0.00 N ATOM 1976 CA LYS A 125 2.029 2.301 -9.963 1.00 0.00 C ATOM 1977 C LYS A 125 1.575 1.608 -11.246 1.00 0.00 C ATOM 1978 O LYS A 125 1.595 0.375 -11.272 1.00 0.00 O ATOM 1979 CB LYS A 125 0.853 2.509 -8.994 1.00 0.00 C ATOM 1980 CG LYS A 125 1.306 3.086 -7.640 1.00 0.00 C ATOM 1981 CD LYS A 125 0.208 3.095 -6.563 1.00 0.00 C ATOM 1982 CE LYS A 125 -0.211 1.669 -6.166 1.00 0.00 C ATOM 1983 NZ LYS A 125 -1.141 1.651 -5.009 1.00 0.00 N ATOM 0 H LYS A 125 2.276 4.198 -10.828 1.00 0.00 H new ATOM 0 HA LYS A 125 2.739 1.630 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.126 3.182 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.348 1.557 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.153 2.506 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.660 4.106 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.567 3.627 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.660 3.640 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.687 1.183 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.678 1.087 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.393 0.668 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.680 2.090 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.002 2.183 -5.248 1.00 0.00 H new ATOM 1997 N PHE A 126 1.181 2.340 -12.298 1.00 0.00 N ATOM 1998 CA PHE A 126 0.961 1.702 -13.596 1.00 0.00 C ATOM 1999 C PHE A 126 2.299 1.221 -14.166 1.00 0.00 C ATOM 2000 O PHE A 126 3.356 1.805 -13.840 1.00 0.00 O ATOM 2001 CB PHE A 126 0.157 2.580 -14.567 1.00 0.00 C ATOM 2002 CG PHE A 126 0.730 3.916 -15.015 1.00 0.00 C ATOM 2003 CD1 PHE A 126 1.834 3.973 -15.889 1.00 0.00 C ATOM 2004 CD2 PHE A 126 0.066 5.108 -14.667 1.00 0.00 C ATOM 2005 CE1 PHE A 126 2.259 5.208 -16.415 1.00 0.00 C ATOM 2006 CE2 PHE A 126 0.489 6.342 -15.193 1.00 0.00 C ATOM 2007 CZ PHE A 126 1.578 6.390 -16.078 1.00 0.00 C ATOM 2008 OXT PHE A 126 2.291 0.239 -14.937 1.00 0.00 O ATOM 0 H PHE A 126 1.013 3.346 -12.276 1.00 0.00 H new ATOM 0 HA PHE A 126 0.329 0.826 -13.448 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -0.032 1.988 -15.463 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.810 2.777 -14.105 1.00 0.00 H new ATOM 0 HD1 PHE A 126 2.356 3.066 -16.156 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -0.775 5.074 -13.990 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.110 5.247 -17.079 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.023 7.252 -14.916 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.892 7.334 -16.499 1.00 0.00 H new TER 2018 PHE A 126