USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 792 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 65 GLN : amide:sc= -0.929 K(o=-0.93,f=-0.083) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 GLN : amide:sc= -1.15! K(o=-2.2!,f=-6) USER MOD Set 2.2: A 96 LYS NZ :NH3+ 146:sc= -1.09 (180deg=-0.709) USER MOD Set 3.1: A 30 CYS SG : rot 28:sc= -3.59! USER MOD Set 3.2: A 33 CYS SG : rot 167:sc= -4.87! USER MOD Single : A 1 MET CE :methyl -155:sc= -0.322 (180deg=-1.27!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00742 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 91:sc= 1.25 USER MOD Single : A 17 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.018) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 2.15 (180deg=0.31) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0035 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -167:sc= -1.4 (180deg=-1.71) USER MOD Single : A 39 MET CE :methyl -143:sc= -8.11! (180deg=-11.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 164:sc= 0.0246 USER MOD Single : A 47 TYR OH : rot 118:sc= -3.11! USER MOD Single : A 49 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.46) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= -0.778 (180deg=-0.949) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.09) USER MOD Single : A 67 ASN : amide:sc= -8.57! C(o=-8.6!,f=-5.9!) USER MOD Single : A 72 MET CE :methyl -171:sc= -4.59! (180deg=-4.77!) USER MOD Single : A 74 THR OG1 : rot 110:sc= 1.12 USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= 1.82 (180deg=0.586) USER MOD Single : A 80 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.75) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.0465 (180deg=-0.233) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= -0.0198 (180deg=-0.16) USER MOD Single : A 91 ASN : amide:sc= -1 K(o=-1,f=-0.079) USER MOD Single : A 97 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.5) USER MOD Single : A 102 ASN : amide:sc= -2.65! C(o=-2.7!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.551 -6.445 10.941 1.00 0.00 N ATOM 2 CA MET A 1 -4.897 -5.117 10.940 1.00 0.00 C ATOM 3 C MET A 1 -3.765 -5.079 9.928 1.00 0.00 C ATOM 4 O MET A 1 -3.013 -6.041 9.787 1.00 0.00 O ATOM 5 CB MET A 1 -4.354 -4.789 12.333 1.00 0.00 C ATOM 6 CG MET A 1 -3.689 -3.423 12.417 1.00 0.00 C ATOM 7 SD MET A 1 -3.277 -2.952 14.108 1.00 0.00 S ATOM 8 CE MET A 1 -4.909 -2.969 14.848 1.00 0.00 C ATOM 0 H1 MET A 1 -5.729 -6.743 11.921 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.453 -6.388 10.427 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.931 -7.138 10.475 1.00 0.00 H new ATOM 0 HA MET A 1 -5.643 -4.372 10.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.172 -4.832 13.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.634 -5.554 12.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.781 -3.428 11.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.353 -2.673 11.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.923 -2.305 15.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.643 -2.630 14.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.154 -3.983 15.165 1.00 0.00 H new ATOM 20 N VAL A 2 -3.651 -3.962 9.229 1.00 0.00 N ATOM 21 CA VAL A 2 -2.607 -3.775 8.244 1.00 0.00 C ATOM 22 C VAL A 2 -1.300 -3.367 8.923 1.00 0.00 C ATOM 23 O VAL A 2 -1.256 -2.400 9.682 1.00 0.00 O ATOM 24 CB VAL A 2 -3.049 -2.732 7.203 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.934 -2.423 6.221 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.286 -3.233 6.479 1.00 0.00 C ATOM 0 H VAL A 2 -4.278 -3.164 9.330 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.430 -4.718 7.726 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.289 -1.803 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.280 -1.683 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.073 -2.029 6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.648 -3.335 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.600 -2.495 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.058 -4.173 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.089 -3.391 7.198 1.00 0.00 H new ATOM 36 N THR A 3 -0.251 -4.128 8.639 1.00 0.00 N ATOM 37 CA THR A 3 1.024 -4.021 9.347 1.00 0.00 C ATOM 38 C THR A 3 1.786 -2.751 8.974 1.00 0.00 C ATOM 39 O THR A 3 1.745 -2.299 7.837 1.00 0.00 O ATOM 40 CB THR A 3 1.895 -5.257 9.054 1.00 0.00 C ATOM 41 OG1 THR A 3 1.112 -6.446 9.231 1.00 0.00 O ATOM 42 CG2 THR A 3 3.110 -5.311 9.968 1.00 0.00 C ATOM 0 H THR A 3 -0.258 -4.840 7.909 1.00 0.00 H new ATOM 0 HA THR A 3 0.801 -3.970 10.413 1.00 0.00 H new ATOM 0 HB THR A 3 2.247 -5.187 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.665 -7.233 9.043 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.702 -6.196 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.717 -4.418 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.782 -5.358 11.006 1.00 0.00 H new ATOM 50 N GLN A 4 2.482 -2.186 9.951 1.00 0.00 N ATOM 51 CA GLN A 4 3.159 -0.911 9.784 1.00 0.00 C ATOM 52 C GLN A 4 4.644 -1.094 9.452 1.00 0.00 C ATOM 53 O GLN A 4 5.376 -1.758 10.187 1.00 0.00 O ATOM 54 CB GLN A 4 3.007 -0.100 11.070 1.00 0.00 C ATOM 55 CG GLN A 4 3.562 1.312 10.972 1.00 0.00 C ATOM 56 CD GLN A 4 2.966 2.101 9.822 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.628 2.947 9.229 1.00 0.00 O ATOM 58 NE2 GLN A 4 1.708 1.844 9.505 1.00 0.00 N ATOM 0 H GLN A 4 2.592 -2.598 10.878 1.00 0.00 H new ATOM 0 HA GLN A 4 2.702 -0.384 8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 4 1.951 -0.048 11.333 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.512 -0.624 11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.369 1.839 11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.644 1.264 10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.187 1.134 10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.258 2.356 8.746 1.00 0.00 H new ATOM 67 N PHE A 5 5.077 -0.494 8.346 1.00 0.00 N ATOM 68 CA PHE A 5 6.493 -0.474 7.973 1.00 0.00 C ATOM 69 C PHE A 5 7.258 0.515 8.840 1.00 0.00 C ATOM 70 O PHE A 5 6.660 1.290 9.585 1.00 0.00 O ATOM 71 CB PHE A 5 6.676 -0.057 6.513 1.00 0.00 C ATOM 72 CG PHE A 5 6.398 -1.124 5.492 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.665 -2.459 5.755 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.887 -0.780 4.252 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.426 -3.428 4.800 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.649 -1.743 3.293 1.00 0.00 C ATOM 77 CZ PHE A 5 5.919 -3.068 3.566 1.00 0.00 C ATOM 0 H PHE A 5 4.465 -0.012 7.688 1.00 0.00 H new ATOM 0 HA PHE A 5 6.876 -1.484 8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.023 0.792 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.700 0.291 6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.064 -2.744 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.672 0.255 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.635 -4.465 5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.252 -1.460 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.734 -3.823 2.816 1.00 0.00 H new ATOM 87 N LYS A 6 8.582 0.489 8.740 1.00 0.00 N ATOM 88 CA LYS A 6 9.406 1.431 9.472 1.00 0.00 C ATOM 89 C LYS A 6 10.484 2.035 8.578 1.00 0.00 C ATOM 90 O LYS A 6 11.014 3.097 8.888 1.00 0.00 O ATOM 91 CB LYS A 6 10.033 0.773 10.703 1.00 0.00 C ATOM 92 CG LYS A 6 10.857 -0.462 10.390 1.00 0.00 C ATOM 93 CD LYS A 6 11.446 -1.067 11.650 1.00 0.00 C ATOM 94 CE LYS A 6 12.225 -2.336 11.351 1.00 0.00 C ATOM 95 NZ LYS A 6 12.730 -2.981 12.590 1.00 0.00 N ATOM 0 H LYS A 6 9.101 -0.172 8.162 1.00 0.00 H new ATOM 0 HA LYS A 6 8.758 2.239 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.667 1.502 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.241 0.501 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.232 -1.200 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.660 -0.201 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.103 -0.341 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.646 -1.289 12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.586 -3.036 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.064 -2.101 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.256 -3.843 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.360 -2.323 13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.928 -3.229 13.204 1.00 0.00 H new ATOM 109 N THR A 7 10.819 1.356 7.482 1.00 0.00 N ATOM 110 CA THR A 7 11.762 1.907 6.512 1.00 0.00 C ATOM 111 C THR A 7 11.561 1.290 5.127 1.00 0.00 C ATOM 112 O THR A 7 10.700 0.422 4.956 1.00 0.00 O ATOM 113 CB THR A 7 13.231 1.736 6.964 1.00 0.00 C ATOM 114 OG1 THR A 7 13.318 0.823 8.067 1.00 0.00 O ATOM 115 CG2 THR A 7 13.821 3.075 7.369 1.00 0.00 C ATOM 0 H THR A 7 10.455 0.433 7.245 1.00 0.00 H new ATOM 0 HA THR A 7 11.555 2.975 6.451 1.00 0.00 H new ATOM 0 HB THR A 7 13.797 1.334 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.371 -0.095 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.855 2.936 7.684 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.789 3.758 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.243 3.493 8.193 1.00 0.00 H new ATOM 123 N ALA A 8 12.346 1.728 4.144 1.00 0.00 N ATOM 124 CA ALA A 8 12.186 1.243 2.777 1.00 0.00 C ATOM 125 C ALA A 8 12.628 -0.205 2.664 1.00 0.00 C ATOM 126 O ALA A 8 12.124 -0.954 1.828 1.00 0.00 O ATOM 127 CB ALA A 8 12.955 2.105 1.791 1.00 0.00 C ATOM 0 H ALA A 8 13.093 2.412 4.268 1.00 0.00 H new ATOM 0 HA ALA A 8 11.127 1.306 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.815 1.717 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.587 3.130 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.015 2.088 2.042 1.00 0.00 H new ATOM 133 N SER A 9 13.574 -0.591 3.512 1.00 0.00 N ATOM 134 CA SER A 9 14.011 -1.973 3.588 1.00 0.00 C ATOM 135 C SER A 9 12.812 -2.882 3.829 1.00 0.00 C ATOM 136 O SER A 9 12.633 -3.887 3.144 1.00 0.00 O ATOM 137 CB SER A 9 15.040 -2.127 4.705 1.00 0.00 C ATOM 138 OG SER A 9 16.084 -1.176 4.556 1.00 0.00 O ATOM 0 H SER A 9 14.052 0.038 4.157 1.00 0.00 H new ATOM 0 HA SER A 9 14.477 -2.260 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.557 -1.996 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.454 -3.135 4.689 1.00 0.00 H new ATOM 0 HG SER A 9 16.734 -1.287 5.281 1.00 0.00 H new ATOM 144 N GLU A 10 11.988 -2.505 4.802 1.00 0.00 N ATOM 145 CA GLU A 10 10.733 -3.179 5.080 1.00 0.00 C ATOM 146 C GLU A 10 9.845 -3.239 3.845 1.00 0.00 C ATOM 147 O GLU A 10 9.301 -4.295 3.517 1.00 0.00 O ATOM 148 CB GLU A 10 10.017 -2.446 6.202 1.00 0.00 C ATOM 149 CG GLU A 10 10.553 -2.792 7.571 1.00 0.00 C ATOM 150 CD GLU A 10 12.046 -2.587 7.686 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.506 -1.461 7.427 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.761 -3.552 8.018 1.00 0.00 O ATOM 0 H GLU A 10 12.178 -1.717 5.422 1.00 0.00 H new ATOM 0 HA GLU A 10 10.948 -4.205 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.109 -1.372 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.954 -2.684 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.048 -2.180 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.315 -3.832 7.797 1.00 0.00 H new ATOM 159 N PHE A 11 9.714 -2.105 3.161 1.00 0.00 N ATOM 160 CA PHE A 11 8.889 -2.024 1.961 1.00 0.00 C ATOM 161 C PHE A 11 9.355 -3.054 0.945 1.00 0.00 C ATOM 162 O PHE A 11 8.611 -3.961 0.577 1.00 0.00 O ATOM 163 CB PHE A 11 8.958 -0.606 1.366 1.00 0.00 C ATOM 164 CG PHE A 11 8.044 -0.363 0.190 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.383 -0.809 -1.079 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.855 0.334 0.352 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.553 -0.566 -2.160 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.024 0.575 -0.731 1.00 0.00 C ATOM 169 CZ PHE A 11 6.377 0.126 -1.983 1.00 0.00 C ATOM 0 H PHE A 11 10.169 -1.229 3.418 1.00 0.00 H new ATOM 0 HA PHE A 11 7.853 -2.236 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.717 0.113 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.984 -0.408 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.305 -1.352 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.574 0.692 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.829 -0.920 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.099 1.115 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.731 0.317 -2.827 1.00 0.00 H new ATOM 179 N ASP A 12 10.610 -2.932 0.550 1.00 0.00 N ATOM 180 CA ASP A 12 11.197 -3.774 -0.487 1.00 0.00 C ATOM 181 C ASP A 12 11.154 -5.254 -0.104 1.00 0.00 C ATOM 182 O ASP A 12 10.935 -6.113 -0.956 1.00 0.00 O ATOM 183 CB ASP A 12 12.642 -3.341 -0.737 1.00 0.00 C ATOM 184 CG ASP A 12 13.241 -3.987 -1.967 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.079 -3.422 -3.070 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.892 -5.044 -1.840 1.00 0.00 O ATOM 0 H ASP A 12 11.256 -2.245 0.938 1.00 0.00 H new ATOM 0 HA ASP A 12 10.610 -3.651 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.678 -2.257 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.248 -3.594 0.133 1.00 0.00 H new ATOM 191 N SER A 13 11.352 -5.544 1.180 1.00 0.00 N ATOM 192 CA SER A 13 11.308 -6.918 1.666 1.00 0.00 C ATOM 193 C SER A 13 9.930 -7.534 1.440 1.00 0.00 C ATOM 194 O SER A 13 9.818 -8.664 0.966 1.00 0.00 O ATOM 195 CB SER A 13 11.667 -6.974 3.151 1.00 0.00 C ATOM 196 OG SER A 13 12.975 -6.478 3.381 1.00 0.00 O ATOM 0 H SER A 13 11.544 -4.847 1.900 1.00 0.00 H new ATOM 0 HA SER A 13 12.041 -7.495 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.947 -6.389 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.597 -8.002 3.506 1.00 0.00 H new ATOM 0 HG SER A 13 12.932 -5.517 3.568 1.00 0.00 H new ATOM 202 N ALA A 14 8.884 -6.783 1.774 1.00 0.00 N ATOM 203 CA ALA A 14 7.525 -7.244 1.561 1.00 0.00 C ATOM 204 C ALA A 14 7.237 -7.369 0.074 1.00 0.00 C ATOM 205 O ALA A 14 6.509 -8.260 -0.354 1.00 0.00 O ATOM 206 CB ALA A 14 6.514 -6.312 2.220 1.00 0.00 C ATOM 0 H ALA A 14 8.956 -5.855 2.192 1.00 0.00 H new ATOM 0 HA ALA A 14 7.427 -8.226 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.505 -6.685 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.702 -6.272 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.611 -5.312 1.797 1.00 0.00 H new ATOM 212 N ILE A 15 7.833 -6.476 -0.706 1.00 0.00 N ATOM 213 CA ILE A 15 7.640 -6.457 -2.150 1.00 0.00 C ATOM 214 C ILE A 15 8.219 -7.702 -2.801 1.00 0.00 C ATOM 215 O ILE A 15 7.614 -8.283 -3.702 1.00 0.00 O ATOM 216 CB ILE A 15 8.310 -5.230 -2.793 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.782 -3.932 -2.208 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.115 -5.224 -4.291 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.285 -3.909 -1.990 1.00 0.00 C ATOM 0 H ILE A 15 8.459 -5.750 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 15 6.563 -6.417 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 15 9.375 -5.302 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.279 -3.748 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.053 -3.111 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.599 -4.345 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.555 -6.125 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.049 -5.198 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.993 -2.946 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.776 -4.059 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.005 -4.705 -1.300 1.00 0.00 H new ATOM 231 N ALA A 16 9.385 -8.118 -2.321 1.00 0.00 N ATOM 232 CA ALA A 16 10.129 -9.214 -2.934 1.00 0.00 C ATOM 233 C ALA A 16 9.520 -10.564 -2.586 1.00 0.00 C ATOM 234 O ALA A 16 10.023 -11.615 -2.989 1.00 0.00 O ATOM 235 CB ALA A 16 11.585 -9.161 -2.503 1.00 0.00 C ATOM 0 H ALA A 16 9.839 -7.710 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 16 10.073 -9.096 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.132 -9.983 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.023 -8.213 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.647 -9.249 -1.418 1.00 0.00 H new ATOM 241 N GLN A 17 8.430 -10.518 -1.850 1.00 0.00 N ATOM 242 CA GLN A 17 7.722 -11.712 -1.436 1.00 0.00 C ATOM 243 C GLN A 17 6.912 -12.270 -2.609 1.00 0.00 C ATOM 244 O GLN A 17 6.385 -11.513 -3.428 1.00 0.00 O ATOM 245 CB GLN A 17 6.819 -11.367 -0.255 1.00 0.00 C ATOM 246 CG GLN A 17 6.172 -12.561 0.414 1.00 0.00 C ATOM 247 CD GLN A 17 5.375 -12.173 1.644 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.210 -12.973 2.565 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.908 -10.932 1.694 1.00 0.00 N ATOM 0 H GLN A 17 8.008 -9.650 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 17 8.430 -12.480 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.405 -10.825 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.036 -10.691 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.516 -13.061 -0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.943 -13.278 0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.064 -10.296 0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.393 -10.614 2.515 1.00 0.00 H new ATOM 258 N ASP A 18 6.821 -13.592 -2.690 1.00 0.00 N ATOM 259 CA ASP A 18 6.177 -14.258 -3.824 1.00 0.00 C ATOM 260 C ASP A 18 4.659 -14.289 -3.688 1.00 0.00 C ATOM 261 O ASP A 18 4.048 -15.359 -3.711 1.00 0.00 O ATOM 262 CB ASP A 18 6.706 -15.686 -3.982 1.00 0.00 C ATOM 263 CG ASP A 18 8.057 -15.739 -4.661 1.00 0.00 C ATOM 264 OD1 ASP A 18 9.083 -15.521 -3.982 1.00 0.00 O ATOM 265 OD2 ASP A 18 8.099 -16.011 -5.881 1.00 0.00 O ATOM 0 H ASP A 18 7.186 -14.230 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 18 6.423 -13.676 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.780 -16.152 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.991 -16.272 -4.560 1.00 0.00 H new ATOM 270 N LYS A 19 4.060 -13.116 -3.553 1.00 0.00 N ATOM 271 CA LYS A 19 2.610 -12.988 -3.485 1.00 0.00 C ATOM 272 C LYS A 19 2.210 -11.525 -3.611 1.00 0.00 C ATOM 273 O LYS A 19 3.072 -10.653 -3.709 1.00 0.00 O ATOM 274 CB LYS A 19 2.064 -13.611 -2.193 1.00 0.00 C ATOM 275 CG LYS A 19 2.754 -13.148 -0.925 1.00 0.00 C ATOM 276 CD LYS A 19 2.547 -14.145 0.209 1.00 0.00 C ATOM 277 CE LYS A 19 1.069 -14.398 0.484 1.00 0.00 C ATOM 278 NZ LYS A 19 0.403 -13.216 1.087 1.00 0.00 N ATOM 0 H LYS A 19 4.561 -12.230 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 19 2.170 -13.535 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.001 -13.382 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.152 -14.695 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.820 -13.023 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.365 -12.173 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.035 -15.087 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.025 -13.769 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.567 -14.660 -0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.966 -15.252 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.594 -13.191 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.456 -13.279 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.880 -12.349 0.768 1.00 0.00 H new ATOM 292 N LEU A 20 0.909 -11.264 -3.637 1.00 0.00 N ATOM 293 CA LEU A 20 0.406 -9.920 -3.879 1.00 0.00 C ATOM 294 C LEU A 20 0.584 -9.043 -2.646 1.00 0.00 C ATOM 295 O LEU A 20 -0.022 -9.283 -1.597 1.00 0.00 O ATOM 296 CB LEU A 20 -1.069 -9.974 -4.311 1.00 0.00 C ATOM 297 CG LEU A 20 -1.627 -8.704 -4.975 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.909 -7.623 -3.950 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.662 -8.181 -6.025 1.00 0.00 C ATOM 0 H LEU A 20 0.184 -11.967 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 20 0.984 -9.474 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.193 -10.806 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.676 -10.197 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.567 -8.972 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.302 -6.739 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.641 -7.987 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.986 -7.365 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.075 -7.282 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.293 -7.943 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.510 -8.942 -6.791 1.00 0.00 H new ATOM 311 N VAL A 21 1.415 -8.027 -2.794 1.00 0.00 N ATOM 312 CA VAL A 21 1.678 -7.083 -1.722 1.00 0.00 C ATOM 313 C VAL A 21 0.887 -5.804 -1.950 1.00 0.00 C ATOM 314 O VAL A 21 0.839 -5.298 -3.070 1.00 0.00 O ATOM 315 CB VAL A 21 3.174 -6.713 -1.650 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.571 -6.343 -0.230 1.00 0.00 C ATOM 317 CG2 VAL A 21 4.040 -7.836 -2.199 1.00 0.00 C ATOM 0 H VAL A 21 1.925 -7.833 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 21 1.380 -7.561 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 21 3.340 -5.837 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.630 -6.086 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.982 -5.488 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.387 -7.189 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.090 -7.550 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.876 -8.741 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.776 -8.023 -3.240 1.00 0.00 H new ATOM 327 N VAL A 22 0.261 -5.293 -0.904 1.00 0.00 N ATOM 328 CA VAL A 22 -0.427 -4.015 -0.982 1.00 0.00 C ATOM 329 C VAL A 22 0.137 -3.069 0.057 1.00 0.00 C ATOM 330 O VAL A 22 0.032 -3.320 1.261 1.00 0.00 O ATOM 331 CB VAL A 22 -1.943 -4.144 -0.754 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.633 -2.805 -0.980 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.538 -5.213 -1.649 1.00 0.00 C ATOM 0 H VAL A 22 0.215 -5.743 0.010 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.269 -3.631 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.106 -4.445 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.705 -2.915 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.232 -2.067 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.456 -2.473 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.611 -5.284 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.363 -4.953 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.069 -6.173 -1.431 1.00 0.00 H new ATOM 343 N VAL A 23 0.745 -1.991 -0.398 1.00 0.00 N ATOM 344 CA VAL A 23 1.330 -1.036 0.516 1.00 0.00 C ATOM 345 C VAL A 23 0.507 0.236 0.569 1.00 0.00 C ATOM 346 O VAL A 23 0.139 0.810 -0.458 1.00 0.00 O ATOM 347 CB VAL A 23 2.786 -0.698 0.167 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.386 0.195 1.245 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.598 -1.972 0.009 1.00 0.00 C ATOM 0 H VAL A 23 0.845 -1.758 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 23 1.329 -1.510 1.497 1.00 0.00 H new ATOM 0 HB VAL A 23 2.809 -0.159 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.419 0.430 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.811 1.118 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.358 -0.323 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.629 -1.718 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.577 -2.535 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.172 -2.578 -0.790 1.00 0.00 H new ATOM 359 N ALA A 24 0.232 0.654 1.785 1.00 0.00 N ATOM 360 CA ALA A 24 -0.643 1.775 2.054 1.00 0.00 C ATOM 361 C ALA A 24 0.150 3.028 2.419 1.00 0.00 C ATOM 362 O ALA A 24 0.553 3.204 3.570 1.00 0.00 O ATOM 363 CB ALA A 24 -1.560 1.406 3.203 1.00 0.00 C ATOM 0 H ALA A 24 0.614 0.220 2.625 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.218 1.994 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.227 2.241 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.150 0.531 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.963 1.180 4.087 1.00 0.00 H new ATOM 369 N PHE A 25 0.379 3.881 1.441 1.00 0.00 N ATOM 370 CA PHE A 25 1.031 5.166 1.670 1.00 0.00 C ATOM 371 C PHE A 25 0.038 6.229 2.102 1.00 0.00 C ATOM 372 O PHE A 25 -1.048 6.352 1.529 1.00 0.00 O ATOM 373 CB PHE A 25 1.688 5.650 0.395 1.00 0.00 C ATOM 374 CG PHE A 25 2.471 4.606 -0.296 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.648 4.143 0.238 1.00 0.00 C ATOM 376 CD2 PHE A 25 2.028 4.102 -1.496 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.375 3.185 -0.417 1.00 0.00 C ATOM 378 CE2 PHE A 25 2.744 3.150 -2.160 1.00 0.00 C ATOM 379 CZ PHE A 25 3.923 2.686 -1.624 1.00 0.00 C ATOM 0 H PHE A 25 0.122 3.710 0.469 1.00 0.00 H new ATOM 0 HA PHE A 25 1.767 5.012 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.919 6.024 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.343 6.489 0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.002 4.536 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.102 4.464 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.298 2.821 0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.387 2.762 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.495 1.933 -2.146 1.00 0.00 H new ATOM 389 N TYR A 26 0.424 6.997 3.102 1.00 0.00 N ATOM 390 CA TYR A 26 -0.307 8.191 3.482 1.00 0.00 C ATOM 391 C TYR A 26 0.569 9.072 4.357 1.00 0.00 C ATOM 392 O TYR A 26 1.712 8.727 4.639 1.00 0.00 O ATOM 393 CB TYR A 26 -1.617 7.837 4.190 1.00 0.00 C ATOM 394 CG TYR A 26 -1.472 6.902 5.375 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.535 5.530 5.202 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.286 7.392 6.662 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.417 4.666 6.267 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.167 6.534 7.739 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.234 5.172 7.537 1.00 0.00 C ATOM 400 OH TYR A 26 -1.119 4.313 8.608 1.00 0.00 O ATOM 0 H TYR A 26 1.249 6.813 3.672 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.568 8.743 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.090 8.759 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.292 7.380 3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.680 5.129 4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.234 8.459 6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.467 3.599 6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.022 6.929 8.734 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.994 4.831 9.431 1.00 0.00 H new ATOM 410 N ALA A 27 0.048 10.210 4.772 1.00 0.00 N ATOM 411 CA ALA A 27 0.807 11.138 5.592 1.00 0.00 C ATOM 412 C ALA A 27 0.018 11.500 6.842 1.00 0.00 C ATOM 413 O ALA A 27 -1.138 11.902 6.754 1.00 0.00 O ATOM 414 CB ALA A 27 1.144 12.383 4.789 1.00 0.00 C ATOM 0 H ALA A 27 -0.900 10.516 4.555 1.00 0.00 H new ATOM 0 HA ALA A 27 1.738 10.663 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.713 13.074 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.738 12.105 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.223 12.865 4.461 1.00 0.00 H new ATOM 420 N THR A 28 0.647 11.371 8.002 1.00 0.00 N ATOM 421 CA THR A 28 -0.033 11.567 9.277 1.00 0.00 C ATOM 422 C THR A 28 -0.506 13.009 9.469 1.00 0.00 C ATOM 423 O THR A 28 -1.375 13.279 10.294 1.00 0.00 O ATOM 424 CB THR A 28 0.880 11.165 10.446 1.00 0.00 C ATOM 425 OG1 THR A 28 2.185 11.721 10.252 1.00 0.00 O ATOM 426 CG2 THR A 28 0.979 9.651 10.556 1.00 0.00 C ATOM 0 H THR A 28 1.634 11.130 8.087 1.00 0.00 H new ATOM 0 HA THR A 28 -0.914 10.926 9.263 1.00 0.00 H new ATOM 0 HB THR A 28 0.451 11.552 11.370 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.764 11.464 11.000 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.630 9.389 11.390 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.013 9.233 10.725 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.391 9.245 9.632 1.00 0.00 H new ATOM 434 N TRP A 29 0.066 13.928 8.702 1.00 0.00 N ATOM 435 CA TRP A 29 -0.338 15.328 8.765 1.00 0.00 C ATOM 436 C TRP A 29 -1.484 15.604 7.793 1.00 0.00 C ATOM 437 O TRP A 29 -2.099 16.672 7.824 1.00 0.00 O ATOM 438 CB TRP A 29 0.853 16.245 8.454 1.00 0.00 C ATOM 439 CG TRP A 29 1.498 15.992 7.119 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.666 15.324 6.888 1.00 0.00 C ATOM 441 CD2 TRP A 29 1.013 16.408 5.835 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.937 15.302 5.541 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.936 15.959 4.874 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.113 17.117 5.406 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.764 16.193 3.512 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.284 17.347 4.060 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.649 16.887 3.124 1.00 0.00 C ATOM 0 H TRP A 29 0.809 13.731 8.031 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.685 15.537 9.777 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.518 17.281 8.492 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.603 16.124 9.235 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.286 14.878 7.652 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.751 14.867 5.108 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.838 17.479 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.484 15.840 2.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.153 17.892 3.720 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.486 17.083 2.074 1.00 0.00 H new ATOM 458 N CYS A 30 -1.759 14.634 6.931 1.00 0.00 N ATOM 459 CA CYS A 30 -2.762 14.783 5.884 1.00 0.00 C ATOM 460 C CYS A 30 -4.081 14.155 6.336 1.00 0.00 C ATOM 461 O CYS A 30 -4.093 13.184 7.101 1.00 0.00 O ATOM 462 CB CYS A 30 -2.250 14.123 4.597 1.00 0.00 C ATOM 463 SG CYS A 30 -3.353 14.273 3.174 1.00 0.00 S ATOM 0 H CYS A 30 -1.296 13.725 6.937 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.941 15.840 5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.286 14.562 4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.076 13.065 4.793 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.065 15.354 3.289 1.00 0.00 H new ATOM 469 N GLY A 31 -5.185 14.722 5.859 1.00 0.00 N ATOM 470 CA GLY A 31 -6.508 14.326 6.314 1.00 0.00 C ATOM 471 C GLY A 31 -7.084 13.102 5.608 1.00 0.00 C ATOM 472 O GLY A 31 -7.477 12.145 6.279 1.00 0.00 O ATOM 0 H GLY A 31 -5.186 15.460 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.464 14.124 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.191 15.164 6.175 1.00 0.00 H new ATOM 476 N PRO A 32 -7.177 13.104 4.256 1.00 0.00 N ATOM 477 CA PRO A 32 -7.768 11.988 3.483 1.00 0.00 C ATOM 478 C PRO A 32 -7.060 10.644 3.686 1.00 0.00 C ATOM 479 O PRO A 32 -7.482 9.625 3.142 1.00 0.00 O ATOM 480 CB PRO A 32 -7.622 12.442 2.025 1.00 0.00 C ATOM 481 CG PRO A 32 -7.498 13.921 2.096 1.00 0.00 C ATOM 482 CD PRO A 32 -6.761 14.206 3.371 1.00 0.00 C ATOM 0 HA PRO A 32 -8.794 11.803 3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.745 11.994 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.486 12.146 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.955 14.310 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.479 14.397 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.682 14.214 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.032 15.178 3.784 1.00 0.00 H new ATOM 490 N CYS A 33 -5.992 10.640 4.469 1.00 0.00 N ATOM 491 CA CYS A 33 -5.268 9.415 4.786 1.00 0.00 C ATOM 492 C CYS A 33 -6.152 8.445 5.557 1.00 0.00 C ATOM 493 O CYS A 33 -5.948 7.225 5.524 1.00 0.00 O ATOM 494 CB CYS A 33 -4.038 9.757 5.606 1.00 0.00 C ATOM 495 SG CYS A 33 -2.922 10.897 4.768 1.00 0.00 S ATOM 0 H CYS A 33 -5.604 11.479 4.901 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.969 8.934 3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.351 10.196 6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.500 8.839 5.842 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.055 11.360 5.619 1.00 0.00 H new ATOM 501 N LYS A 34 -7.154 8.996 6.231 1.00 0.00 N ATOM 502 CA LYS A 34 -8.104 8.189 6.974 1.00 0.00 C ATOM 503 C LYS A 34 -8.926 7.320 6.033 1.00 0.00 C ATOM 504 O LYS A 34 -9.654 6.448 6.480 1.00 0.00 O ATOM 505 CB LYS A 34 -9.033 9.070 7.807 1.00 0.00 C ATOM 506 CG LYS A 34 -8.324 9.854 8.900 1.00 0.00 C ATOM 507 CD LYS A 34 -9.301 10.705 9.697 1.00 0.00 C ATOM 508 CE LYS A 34 -10.313 9.849 10.445 1.00 0.00 C ATOM 509 NZ LYS A 34 -11.335 10.677 11.136 1.00 0.00 N ATOM 0 H LYS A 34 -7.327 10.000 6.276 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.537 7.544 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.544 9.769 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.800 8.443 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.810 9.164 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.562 10.493 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.751 11.322 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.825 11.384 9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.805 9.174 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.794 9.228 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.006 10.057 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.868 11.304 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.848 11.251 10.436 1.00 0.00 H new ATOM 523 N MET A 35 -8.804 7.558 4.729 1.00 0.00 N ATOM 524 CA MET A 35 -9.496 6.741 3.748 1.00 0.00 C ATOM 525 C MET A 35 -8.750 5.424 3.571 1.00 0.00 C ATOM 526 O MET A 35 -9.351 4.366 3.386 1.00 0.00 O ATOM 527 CB MET A 35 -9.582 7.468 2.408 1.00 0.00 C ATOM 528 CG MET A 35 -10.941 7.356 1.731 1.00 0.00 C ATOM 529 SD MET A 35 -11.565 5.663 1.668 1.00 0.00 S ATOM 530 CE MET A 35 -12.936 5.846 0.531 1.00 0.00 C ATOM 0 H MET A 35 -8.235 8.306 4.334 1.00 0.00 H new ATOM 0 HA MET A 35 -10.508 6.547 4.102 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.350 8.522 2.562 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.820 7.068 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.658 7.981 2.263 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.868 7.748 0.716 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.559 4.952 0.566 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.531 6.714 0.815 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.554 5.983 -0.481 1.00 0.00 H new ATOM 540 N ILE A 36 -7.428 5.496 3.656 1.00 0.00 N ATOM 541 CA ILE A 36 -6.590 4.320 3.491 1.00 0.00 C ATOM 542 C ILE A 36 -6.653 3.447 4.731 1.00 0.00 C ATOM 543 O ILE A 36 -6.468 2.231 4.658 1.00 0.00 O ATOM 544 CB ILE A 36 -5.129 4.731 3.180 1.00 0.00 C ATOM 545 CG1 ILE A 36 -4.848 4.596 1.685 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.124 3.917 3.981 1.00 0.00 C ATOM 547 CD1 ILE A 36 -5.956 5.137 0.817 1.00 0.00 C ATOM 0 H ILE A 36 -6.914 6.358 3.838 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.966 3.742 2.647 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.014 5.774 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.922 5.120 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.690 3.544 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.113 4.239 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.300 4.068 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.238 2.860 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.691 5.009 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.879 4.597 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.100 6.197 1.029 1.00 0.00 H new ATOM 559 N ALA A 37 -6.951 4.070 5.860 1.00 0.00 N ATOM 560 CA ALA A 37 -7.148 3.330 7.095 1.00 0.00 C ATOM 561 C ALA A 37 -8.188 2.198 6.930 1.00 0.00 C ATOM 562 O ALA A 37 -7.809 1.022 6.984 1.00 0.00 O ATOM 563 CB ALA A 37 -7.501 4.275 8.241 1.00 0.00 C ATOM 0 H ALA A 37 -7.061 5.080 5.946 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.206 2.844 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.644 3.700 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.691 4.991 8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.420 4.810 8.001 1.00 0.00 H new ATOM 569 N PRO A 38 -9.493 2.488 6.684 1.00 0.00 N ATOM 570 CA PRO A 38 -10.511 1.439 6.648 1.00 0.00 C ATOM 571 C PRO A 38 -10.622 0.711 5.311 1.00 0.00 C ATOM 572 O PRO A 38 -10.927 -0.474 5.296 1.00 0.00 O ATOM 573 CB PRO A 38 -11.796 2.201 6.947 1.00 0.00 C ATOM 574 CG PRO A 38 -11.574 3.534 6.328 1.00 0.00 C ATOM 575 CD PRO A 38 -10.093 3.804 6.428 1.00 0.00 C ATOM 0 HA PRO A 38 -10.274 0.642 7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.665 1.702 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.971 2.283 8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.901 3.540 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.146 4.304 6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.707 4.243 5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.871 4.504 7.233 1.00 0.00 H new ATOM 583 N MET A 39 -10.375 1.398 4.194 1.00 0.00 N ATOM 584 CA MET A 39 -10.571 0.796 2.875 1.00 0.00 C ATOM 585 C MET A 39 -9.518 -0.273 2.634 1.00 0.00 C ATOM 586 O MET A 39 -9.801 -1.343 2.089 1.00 0.00 O ATOM 587 CB MET A 39 -10.526 1.900 1.800 1.00 0.00 C ATOM 588 CG MET A 39 -10.457 1.410 0.361 1.00 0.00 C ATOM 589 SD MET A 39 -8.787 0.944 -0.144 1.00 0.00 S ATOM 590 CE MET A 39 -7.829 2.277 0.577 1.00 0.00 C ATOM 0 H MET A 39 -10.042 2.362 4.176 1.00 0.00 H new ATOM 0 HA MET A 39 -11.547 0.313 2.823 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.411 2.527 1.910 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.661 2.534 1.991 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.119 0.553 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.827 2.192 -0.302 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.012 2.542 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.470 3.145 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.421 1.955 1.535 1.00 0.00 H new ATOM 600 N ILE A 40 -8.316 0.003 3.091 1.00 0.00 N ATOM 601 CA ILE A 40 -7.216 -0.922 2.940 1.00 0.00 C ATOM 602 C ILE A 40 -7.286 -2.020 3.989 1.00 0.00 C ATOM 603 O ILE A 40 -6.937 -3.171 3.730 1.00 0.00 O ATOM 604 CB ILE A 40 -5.881 -0.159 2.995 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.427 0.162 1.580 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.806 -0.920 3.759 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.247 1.093 1.524 1.00 0.00 C ATOM 0 H ILE A 40 -8.075 0.868 3.574 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.287 -1.407 1.966 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.043 0.768 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.171 -0.767 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.258 0.608 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.885 -0.338 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.138 -1.089 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.625 -1.879 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.978 1.278 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.505 2.036 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.402 0.641 2.042 1.00 0.00 H new ATOM 619 N GLU A 41 -7.768 -1.685 5.171 1.00 0.00 N ATOM 620 CA GLU A 41 -8.014 -2.712 6.166 1.00 0.00 C ATOM 621 C GLU A 41 -9.169 -3.599 5.697 1.00 0.00 C ATOM 622 O GLU A 41 -9.272 -4.761 6.076 1.00 0.00 O ATOM 623 CB GLU A 41 -8.332 -2.078 7.524 1.00 0.00 C ATOM 624 CG GLU A 41 -8.515 -3.090 8.642 1.00 0.00 C ATOM 625 CD GLU A 41 -8.846 -2.444 9.970 1.00 0.00 C ATOM 626 OE1 GLU A 41 -10.043 -2.217 10.246 1.00 0.00 O ATOM 627 OE2 GLU A 41 -7.908 -2.170 10.749 1.00 0.00 O ATOM 0 H GLU A 41 -7.993 -0.733 5.462 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.119 -3.323 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.527 -1.394 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.240 -1.482 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.312 -3.783 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.603 -3.678 8.746 1.00 0.00 H new ATOM 634 N LYS A 42 -10.001 -3.040 4.821 1.00 0.00 N ATOM 635 CA LYS A 42 -11.199 -3.708 4.341 1.00 0.00 C ATOM 636 C LYS A 42 -10.872 -4.746 3.265 1.00 0.00 C ATOM 637 O LYS A 42 -11.500 -5.814 3.217 1.00 0.00 O ATOM 638 CB LYS A 42 -12.191 -2.666 3.803 1.00 0.00 C ATOM 639 CG LYS A 42 -13.601 -3.193 3.583 1.00 0.00 C ATOM 640 CD LYS A 42 -14.270 -3.530 4.907 1.00 0.00 C ATOM 641 CE LYS A 42 -15.742 -3.860 4.727 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.397 -4.187 6.022 1.00 0.00 N ATOM 0 H LYS A 42 -9.860 -2.110 4.426 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.653 -4.240 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.234 -1.830 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.811 -2.275 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.193 -2.448 3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.567 -4.081 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.761 -4.377 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.167 -2.688 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.251 -3.013 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.845 -4.704 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.400 -4.406 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.928 -5.011 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.321 -3.373 6.665 1.00 0.00 H new ATOM 656 N PHE A 43 -9.898 -4.447 2.395 1.00 0.00 N ATOM 657 CA PHE A 43 -9.535 -5.395 1.344 1.00 0.00 C ATOM 658 C PHE A 43 -9.092 -6.716 1.976 1.00 0.00 C ATOM 659 O PHE A 43 -9.624 -7.771 1.638 1.00 0.00 O ATOM 660 CB PHE A 43 -8.475 -4.818 0.347 1.00 0.00 C ATOM 661 CG PHE A 43 -7.016 -4.851 0.762 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.324 -6.047 0.890 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.331 -3.672 0.985 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.991 -6.064 1.247 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.997 -3.681 1.344 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.328 -4.880 1.479 1.00 0.00 C ATOM 0 H PHE A 43 -9.362 -3.579 2.399 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.419 -5.584 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.568 -5.364 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.740 -3.781 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.837 -6.980 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.846 -2.729 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.469 -7.004 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.478 -2.750 1.519 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.287 -4.890 1.766 1.00 0.00 H new ATOM 676 N SER A 44 -8.189 -6.663 2.951 1.00 0.00 N ATOM 677 CA SER A 44 -7.656 -7.883 3.526 1.00 0.00 C ATOM 678 C SER A 44 -8.569 -8.401 4.629 1.00 0.00 C ATOM 679 O SER A 44 -8.438 -9.543 5.073 1.00 0.00 O ATOM 680 CB SER A 44 -6.247 -7.657 4.046 1.00 0.00 C ATOM 681 OG SER A 44 -6.227 -6.708 5.104 1.00 0.00 O ATOM 0 H SER A 44 -7.819 -5.801 3.351 1.00 0.00 H new ATOM 0 HA SER A 44 -7.610 -8.641 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.831 -8.602 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.609 -7.310 3.233 1.00 0.00 H new ATOM 0 HG SER A 44 -5.377 -6.775 5.587 1.00 0.00 H new ATOM 687 N GLU A 45 -9.487 -7.550 5.084 1.00 0.00 N ATOM 688 CA GLU A 45 -10.505 -7.969 6.031 1.00 0.00 C ATOM 689 C GLU A 45 -11.328 -9.091 5.417 1.00 0.00 C ATOM 690 O GLU A 45 -11.782 -10.003 6.107 1.00 0.00 O ATOM 691 CB GLU A 45 -11.414 -6.806 6.415 1.00 0.00 C ATOM 692 CG GLU A 45 -12.227 -7.070 7.669 1.00 0.00 C ATOM 693 CD GLU A 45 -11.368 -7.108 8.918 1.00 0.00 C ATOM 694 OE1 GLU A 45 -10.684 -8.132 9.151 1.00 0.00 O ATOM 695 OE2 GLU A 45 -11.376 -6.117 9.676 1.00 0.00 O ATOM 0 H GLU A 45 -9.542 -6.569 4.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.013 -8.322 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.807 -5.913 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.092 -6.595 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.986 -6.295 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.753 -8.019 7.564 1.00 0.00 H new ATOM 702 N GLN A 46 -11.508 -9.020 4.103 1.00 0.00 N ATOM 703 CA GLN A 46 -12.169 -10.086 3.382 1.00 0.00 C ATOM 704 C GLN A 46 -11.164 -11.154 2.974 1.00 0.00 C ATOM 705 O GLN A 46 -11.392 -12.346 3.181 1.00 0.00 O ATOM 706 CB GLN A 46 -12.882 -9.547 2.149 1.00 0.00 C ATOM 707 CG GLN A 46 -13.988 -8.559 2.465 1.00 0.00 C ATOM 708 CD GLN A 46 -14.759 -8.139 1.230 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.245 -7.013 1.145 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.876 -9.038 0.268 1.00 0.00 N ATOM 0 H GLN A 46 -11.205 -8.237 3.523 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.911 -10.531 4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.151 -9.065 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.303 -10.383 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.675 -9.005 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.558 -7.677 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.457 -9.961 0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.385 -8.808 -0.585 1.00 0.00 H new ATOM 719 N TYR A 47 -10.043 -10.722 2.405 1.00 0.00 N ATOM 720 CA TYR A 47 -9.036 -11.652 1.920 1.00 0.00 C ATOM 721 C TYR A 47 -7.645 -11.357 2.487 1.00 0.00 C ATOM 722 O TYR A 47 -6.865 -10.602 1.912 1.00 0.00 O ATOM 723 CB TYR A 47 -9.018 -11.664 0.390 1.00 0.00 C ATOM 724 CG TYR A 47 -9.093 -10.302 -0.268 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.982 -9.468 -0.349 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.282 -9.867 -0.835 1.00 0.00 C ATOM 727 CE1 TYR A 47 -8.061 -8.238 -0.969 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.368 -8.638 -1.453 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.255 -7.831 -1.515 1.00 0.00 C ATOM 730 OH TYR A 47 -9.338 -6.603 -2.114 1.00 0.00 O ATOM 0 H TYR A 47 -9.812 -9.738 2.270 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.310 -12.645 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.106 -12.160 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.855 -12.266 0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.044 -9.788 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.155 -10.502 -0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.191 -7.600 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.302 -8.311 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.568 -6.715 -3.060 1.00 0.00 H new ATOM 740 N PRO A 48 -7.299 -11.971 3.624 1.00 0.00 N ATOM 741 CA PRO A 48 -5.999 -11.764 4.261 1.00 0.00 C ATOM 742 C PRO A 48 -4.866 -12.452 3.498 1.00 0.00 C ATOM 743 O PRO A 48 -3.704 -12.381 3.893 1.00 0.00 O ATOM 744 CB PRO A 48 -6.181 -12.377 5.646 1.00 0.00 C ATOM 745 CG PRO A 48 -7.214 -13.433 5.456 1.00 0.00 C ATOM 746 CD PRO A 48 -8.138 -12.921 4.381 1.00 0.00 C ATOM 0 HA PRO A 48 -5.716 -10.712 4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.247 -12.798 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.506 -11.630 6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.757 -14.377 5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.758 -13.618 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.501 -13.729 3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.014 -12.431 4.806 1.00 0.00 H new ATOM 754 N GLN A 49 -5.222 -13.125 2.401 1.00 0.00 N ATOM 755 CA GLN A 49 -4.236 -13.805 1.558 1.00 0.00 C ATOM 756 C GLN A 49 -3.288 -12.824 0.872 1.00 0.00 C ATOM 757 O GLN A 49 -2.293 -13.225 0.266 1.00 0.00 O ATOM 758 CB GLN A 49 -4.896 -14.717 0.524 1.00 0.00 C ATOM 759 CG GLN A 49 -6.093 -14.124 -0.163 1.00 0.00 C ATOM 760 CD GLN A 49 -5.755 -13.073 -1.206 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.466 -13.391 -2.358 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.837 -11.811 -0.824 1.00 0.00 N ATOM 0 H GLN A 49 -6.185 -13.213 2.076 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.645 -14.428 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.156 -14.983 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.197 -15.642 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.658 -14.925 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.745 -13.678 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.079 -11.585 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.658 -11.063 -1.494 1.00 0.00 H new ATOM 771 N ALA A 50 -3.597 -11.542 0.970 1.00 0.00 N ATOM 772 CA ALA A 50 -2.732 -10.509 0.431 1.00 0.00 C ATOM 773 C ALA A 50 -1.944 -9.892 1.563 1.00 0.00 C ATOM 774 O ALA A 50 -2.380 -9.934 2.714 1.00 0.00 O ATOM 775 CB ALA A 50 -3.546 -9.446 -0.277 1.00 0.00 C ATOM 0 H ALA A 50 -4.443 -11.192 1.419 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.051 -10.952 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.879 -8.681 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.104 -9.900 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.242 -8.991 0.428 1.00 0.00 H new ATOM 781 N ASP A 51 -0.796 -9.319 1.259 1.00 0.00 N ATOM 782 CA ASP A 51 0.025 -8.761 2.310 1.00 0.00 C ATOM 783 C ASP A 51 -0.311 -7.308 2.535 1.00 0.00 C ATOM 784 O ASP A 51 -0.208 -6.473 1.636 1.00 0.00 O ATOM 785 CB ASP A 51 1.514 -8.930 2.020 1.00 0.00 C ATOM 786 CG ASP A 51 1.916 -10.382 1.971 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.725 -11.015 0.919 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.414 -10.901 2.993 1.00 0.00 O ATOM 0 H ASP A 51 -0.419 -9.229 0.316 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.195 -9.316 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.755 -8.454 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.094 -8.419 2.788 1.00 0.00 H new ATOM 793 N PHE A 52 -0.720 -7.029 3.754 1.00 0.00 N ATOM 794 CA PHE A 52 -1.186 -5.717 4.142 1.00 0.00 C ATOM 795 C PHE A 52 -0.103 -4.953 4.887 1.00 0.00 C ATOM 796 O PHE A 52 0.306 -5.346 5.981 1.00 0.00 O ATOM 797 CB PHE A 52 -2.433 -5.864 5.023 1.00 0.00 C ATOM 798 CG PHE A 52 -2.452 -7.124 5.855 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.776 -7.193 7.061 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.153 -8.239 5.423 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.796 -8.347 7.820 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.178 -9.396 6.177 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.499 -9.450 7.377 1.00 0.00 C ATOM 0 H PHE A 52 -0.738 -7.714 4.510 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.436 -5.152 3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.500 -5.002 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.318 -5.847 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.226 -6.333 7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.687 -8.203 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.263 -8.387 8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.728 -10.257 5.828 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.517 -10.353 7.969 1.00 0.00 H new ATOM 813 N TYR A 53 0.362 -3.861 4.301 1.00 0.00 N ATOM 814 CA TYR A 53 1.349 -3.021 4.957 1.00 0.00 C ATOM 815 C TYR A 53 1.056 -1.543 4.732 1.00 0.00 C ATOM 816 O TYR A 53 0.628 -1.140 3.659 1.00 0.00 O ATOM 817 CB TYR A 53 2.765 -3.360 4.476 1.00 0.00 C ATOM 818 CG TYR A 53 3.224 -4.762 4.810 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.674 -5.084 6.082 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.224 -5.758 3.842 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.109 -6.361 6.382 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.656 -7.037 4.134 1.00 0.00 C ATOM 823 CZ TYR A 53 4.098 -7.333 5.405 1.00 0.00 C ATOM 824 OH TYR A 53 4.531 -8.606 5.702 1.00 0.00 O ATOM 0 H TYR A 53 0.073 -3.538 3.378 1.00 0.00 H new ATOM 0 HA TYR A 53 1.288 -3.221 6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.810 -3.225 3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.464 -2.648 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.685 -4.325 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.880 -5.529 2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.456 -6.596 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.647 -7.801 3.370 1.00 0.00 H new ATOM 0 HH TYR A 53 4.458 -9.171 4.904 1.00 0.00 H new ATOM 834 N LYS A 54 1.281 -0.758 5.772 1.00 0.00 N ATOM 835 CA LYS A 54 1.027 0.679 5.766 1.00 0.00 C ATOM 836 C LYS A 54 2.308 1.436 6.092 1.00 0.00 C ATOM 837 O LYS A 54 3.206 0.888 6.734 1.00 0.00 O ATOM 838 CB LYS A 54 -0.029 1.010 6.824 1.00 0.00 C ATOM 839 CG LYS A 54 -1.473 0.926 6.368 1.00 0.00 C ATOM 840 CD LYS A 54 -2.429 1.056 7.544 1.00 0.00 C ATOM 841 CE LYS A 54 -3.881 0.980 7.099 1.00 0.00 C ATOM 842 NZ LYS A 54 -4.817 1.092 8.248 1.00 0.00 N ATOM 0 H LYS A 54 1.650 -1.102 6.658 1.00 0.00 H new ATOM 0 HA LYS A 54 0.674 0.974 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.105 0.333 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.157 2.019 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.675 1.714 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.643 -0.024 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.228 0.265 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.253 2.004 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.085 1.778 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.053 0.037 6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.789 0.918 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.563 0.390 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.754 2.047 8.655 1.00 0.00 H new ATOM 856 N LEU A 55 2.395 2.684 5.644 1.00 0.00 N ATOM 857 CA LEU A 55 3.512 3.543 5.986 1.00 0.00 C ATOM 858 C LEU A 55 3.126 5.007 5.784 1.00 0.00 C ATOM 859 O LEU A 55 2.401 5.340 4.842 1.00 0.00 O ATOM 860 CB LEU A 55 4.734 3.169 5.137 1.00 0.00 C ATOM 861 CG LEU A 55 5.973 4.040 5.336 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.232 3.228 5.085 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.924 5.236 4.401 1.00 0.00 C ATOM 0 H LEU A 55 1.699 3.121 5.040 1.00 0.00 H new ATOM 0 HA LEU A 55 3.770 3.404 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.001 2.135 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.449 3.210 4.086 1.00 0.00 H new ATOM 0 HG LEU A 55 5.989 4.398 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.108 3.860 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.270 2.391 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.223 2.850 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.811 5.851 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.892 4.889 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.033 5.827 4.613 1.00 0.00 H new ATOM 875 N ASP A 56 3.592 5.875 6.675 1.00 0.00 N ATOM 876 CA ASP A 56 3.350 7.295 6.547 1.00 0.00 C ATOM 877 C ASP A 56 4.595 8.024 6.059 1.00 0.00 C ATOM 878 O ASP A 56 5.693 7.838 6.585 1.00 0.00 O ATOM 879 CB ASP A 56 2.874 7.894 7.868 1.00 0.00 C ATOM 880 CG ASP A 56 3.855 7.736 9.007 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.921 6.639 9.602 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.540 8.726 9.329 1.00 0.00 O ATOM 0 H ASP A 56 4.140 5.612 7.494 1.00 0.00 H new ATOM 0 HA ASP A 56 2.562 7.425 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.672 8.955 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.930 7.425 8.148 1.00 0.00 H new ATOM 887 N VAL A 57 4.409 8.854 5.040 1.00 0.00 N ATOM 888 CA VAL A 57 5.507 9.576 4.410 1.00 0.00 C ATOM 889 C VAL A 57 6.072 10.644 5.340 1.00 0.00 C ATOM 890 O VAL A 57 7.161 11.167 5.113 1.00 0.00 O ATOM 891 CB VAL A 57 5.045 10.247 3.102 1.00 0.00 C ATOM 892 CG1 VAL A 57 4.101 9.328 2.342 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.379 11.586 3.390 1.00 0.00 C ATOM 0 H VAL A 57 3.496 9.045 4.628 1.00 0.00 H new ATOM 0 HA VAL A 57 6.285 8.846 4.189 1.00 0.00 H new ATOM 0 HB VAL A 57 5.921 10.432 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.783 9.815 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.614 8.397 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.228 9.112 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.060 12.043 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.511 11.430 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.088 12.244 3.892 1.00 0.00 H new ATOM 903 N ASP A 58 5.314 10.977 6.377 1.00 0.00 N ATOM 904 CA ASP A 58 5.741 11.975 7.342 1.00 0.00 C ATOM 905 C ASP A 58 6.933 11.456 8.125 1.00 0.00 C ATOM 906 O ASP A 58 7.895 12.182 8.379 1.00 0.00 O ATOM 907 CB ASP A 58 4.596 12.329 8.289 1.00 0.00 C ATOM 908 CG ASP A 58 5.033 13.246 9.411 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.331 14.430 9.140 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.075 12.787 10.573 1.00 0.00 O ATOM 0 H ASP A 58 4.399 10.568 6.569 1.00 0.00 H new ATOM 0 HA ASP A 58 6.034 12.879 6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.796 12.808 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.183 11.413 8.713 1.00 0.00 H new ATOM 915 N GLU A 59 6.865 10.188 8.493 1.00 0.00 N ATOM 916 CA GLU A 59 7.965 9.535 9.170 1.00 0.00 C ATOM 917 C GLU A 59 8.973 9.024 8.148 1.00 0.00 C ATOM 918 O GLU A 59 10.182 9.175 8.322 1.00 0.00 O ATOM 919 CB GLU A 59 7.441 8.364 9.998 1.00 0.00 C ATOM 920 CG GLU A 59 8.398 7.891 11.078 1.00 0.00 C ATOM 921 CD GLU A 59 8.559 8.901 12.193 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.632 9.036 13.016 1.00 0.00 O ATOM 923 OE2 GLU A 59 9.618 9.559 12.260 1.00 0.00 O ATOM 0 H GLU A 59 6.054 9.590 8.332 1.00 0.00 H new ATOM 0 HA GLU A 59 8.453 10.254 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.499 8.655 10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.222 7.530 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.036 6.951 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.372 7.688 10.632 1.00 0.00 H new ATOM 930 N LEU A 60 8.465 8.436 7.068 1.00 0.00 N ATOM 931 CA LEU A 60 9.331 7.832 6.057 1.00 0.00 C ATOM 932 C LEU A 60 9.123 8.448 4.672 1.00 0.00 C ATOM 933 O LEU A 60 8.489 7.850 3.794 1.00 0.00 O ATOM 934 CB LEU A 60 9.110 6.318 5.986 1.00 0.00 C ATOM 935 CG LEU A 60 9.739 5.481 7.107 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.176 5.909 7.367 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.910 5.554 8.377 1.00 0.00 C ATOM 0 H LEU A 60 7.467 8.365 6.870 1.00 0.00 H new ATOM 0 HA LEU A 60 10.357 8.035 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.036 6.130 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.501 5.961 5.033 1.00 0.00 H new ATOM 0 HG LEU A 60 9.753 4.442 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.598 5.300 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.765 5.776 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.195 6.958 7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.380 4.951 9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.846 6.590 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.908 5.174 8.180 1.00 0.00 H new ATOM 949 N GLY A 61 9.688 9.630 4.470 1.00 0.00 N ATOM 950 CA GLY A 61 9.567 10.306 3.193 1.00 0.00 C ATOM 951 C GLY A 61 10.472 9.705 2.135 1.00 0.00 C ATOM 952 O GLY A 61 10.083 9.583 0.973 1.00 0.00 O ATOM 0 H GLY A 61 10.230 10.135 5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.532 10.255 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.810 11.361 3.319 1.00 0.00 H new ATOM 956 N ASP A 62 11.674 9.309 2.541 1.00 0.00 N ATOM 957 CA ASP A 62 12.638 8.700 1.625 1.00 0.00 C ATOM 958 C ASP A 62 12.105 7.383 1.101 1.00 0.00 C ATOM 959 O ASP A 62 12.358 6.999 -0.041 1.00 0.00 O ATOM 960 CB ASP A 62 13.980 8.487 2.327 1.00 0.00 C ATOM 961 CG ASP A 62 15.007 7.815 1.441 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.617 8.511 0.598 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.219 6.593 1.589 1.00 0.00 O ATOM 0 H ASP A 62 12.007 9.398 3.501 1.00 0.00 H new ATOM 0 HA ASP A 62 12.790 9.375 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.368 9.450 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.825 7.881 3.220 1.00 0.00 H new ATOM 968 N VAL A 63 11.346 6.713 1.942 1.00 0.00 N ATOM 969 CA VAL A 63 10.696 5.478 1.561 1.00 0.00 C ATOM 970 C VAL A 63 9.682 5.739 0.468 1.00 0.00 C ATOM 971 O VAL A 63 9.720 5.100 -0.570 1.00 0.00 O ATOM 972 CB VAL A 63 10.000 4.818 2.754 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.300 3.536 2.332 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.997 4.539 3.860 1.00 0.00 C ATOM 0 H VAL A 63 11.163 7.006 2.902 1.00 0.00 H new ATOM 0 HA VAL A 63 11.466 4.799 1.195 1.00 0.00 H new ATOM 0 HB VAL A 63 9.245 5.508 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.813 3.086 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.552 3.763 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.032 2.839 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.486 4.070 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.774 3.871 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.449 5.475 4.187 1.00 0.00 H new ATOM 984 N ALA A 64 8.789 6.699 0.696 1.00 0.00 N ATOM 985 CA ALA A 64 7.808 7.088 -0.307 1.00 0.00 C ATOM 986 C ALA A 64 8.478 7.362 -1.651 1.00 0.00 C ATOM 987 O ALA A 64 7.962 6.988 -2.704 1.00 0.00 O ATOM 988 CB ALA A 64 7.039 8.312 0.158 1.00 0.00 C ATOM 0 H ALA A 64 8.727 7.222 1.570 1.00 0.00 H new ATOM 0 HA ALA A 64 7.110 6.261 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.309 8.593 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.524 8.085 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.732 9.138 0.318 1.00 0.00 H new ATOM 994 N GLN A 65 9.648 7.981 -1.605 1.00 0.00 N ATOM 995 CA GLN A 65 10.391 8.300 -2.821 1.00 0.00 C ATOM 996 C GLN A 65 10.949 7.033 -3.458 1.00 0.00 C ATOM 997 O GLN A 65 11.032 6.928 -4.681 1.00 0.00 O ATOM 998 CB GLN A 65 11.521 9.284 -2.514 1.00 0.00 C ATOM 999 CG GLN A 65 11.035 10.598 -1.922 1.00 0.00 C ATOM 1000 CD GLN A 65 10.123 11.368 -2.860 1.00 0.00 C ATOM 1001 OE1 GLN A 65 9.200 12.053 -2.418 1.00 0.00 O ATOM 1002 NE2 GLN A 65 10.390 11.288 -4.155 1.00 0.00 N ATOM 0 H GLN A 65 10.105 8.273 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 65 9.706 8.767 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.220 8.818 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.073 9.490 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.504 10.397 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.896 11.218 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.164 10.709 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.822 11.805 -4.826 1.00 0.00 H new ATOM 1011 N LYS A 66 11.309 6.072 -2.616 1.00 0.00 N ATOM 1012 CA LYS A 66 11.765 4.770 -3.057 1.00 0.00 C ATOM 1013 C LYS A 66 10.663 4.044 -3.839 1.00 0.00 C ATOM 1014 O LYS A 66 10.941 3.248 -4.738 1.00 0.00 O ATOM 1015 CB LYS A 66 12.186 3.968 -1.811 1.00 0.00 C ATOM 1016 CG LYS A 66 11.771 2.510 -1.814 1.00 0.00 C ATOM 1017 CD LYS A 66 12.676 1.636 -2.670 1.00 0.00 C ATOM 1018 CE LYS A 66 12.260 0.175 -2.591 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.163 -0.707 -3.375 1.00 0.00 N ATOM 0 H LYS A 66 11.291 6.180 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 66 12.615 4.876 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.270 4.021 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.763 4.448 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.775 2.135 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.747 2.430 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.638 1.973 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.709 1.742 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.257 -0.145 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.240 0.069 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.961 -1.701 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.009 -0.546 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.152 -0.491 -3.136 1.00 0.00 H new ATOM 1033 N ASN A 67 9.414 4.357 -3.515 1.00 0.00 N ATOM 1034 CA ASN A 67 8.279 3.603 -4.014 1.00 0.00 C ATOM 1035 C ASN A 67 7.622 4.316 -5.168 1.00 0.00 C ATOM 1036 O ASN A 67 6.774 3.746 -5.851 1.00 0.00 O ATOM 1037 CB ASN A 67 7.252 3.449 -2.912 1.00 0.00 C ATOM 1038 CG ASN A 67 7.861 3.063 -1.591 1.00 0.00 C ATOM 1039 OD1 ASN A 67 8.769 2.242 -1.520 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.401 3.707 -0.540 1.00 0.00 N ATOM 0 H ASN A 67 9.164 5.135 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 67 8.641 2.631 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.709 4.387 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.523 2.693 -3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.802 3.531 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.644 4.382 -0.647 1.00 0.00 H new ATOM 1047 N GLU A 68 8.006 5.578 -5.348 1.00 0.00 N ATOM 1048 CA GLU A 68 7.442 6.434 -6.380 1.00 0.00 C ATOM 1049 C GLU A 68 6.086 6.989 -5.926 1.00 0.00 C ATOM 1050 O GLU A 68 5.219 7.323 -6.736 1.00 0.00 O ATOM 1051 CB GLU A 68 7.324 5.678 -7.715 1.00 0.00 C ATOM 1052 CG GLU A 68 6.896 6.533 -8.899 1.00 0.00 C ATOM 1053 CD GLU A 68 7.830 7.699 -9.138 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.604 8.776 -8.549 1.00 0.00 O ATOM 1055 OE2 GLU A 68 8.794 7.543 -9.918 1.00 0.00 O ATOM 0 H GLU A 68 8.719 6.034 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 68 8.114 7.277 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.287 5.222 -7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.607 4.866 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.856 5.914 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.887 6.909 -8.726 1.00 0.00 H new ATOM 1062 N VAL A 69 5.905 7.093 -4.618 1.00 0.00 N ATOM 1063 CA VAL A 69 4.687 7.665 -4.076 1.00 0.00 C ATOM 1064 C VAL A 69 4.931 9.062 -3.510 1.00 0.00 C ATOM 1065 O VAL A 69 5.722 9.251 -2.584 1.00 0.00 O ATOM 1066 CB VAL A 69 4.010 6.753 -3.014 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.010 6.089 -2.072 1.00 0.00 C ATOM 1068 CG2 VAL A 69 2.996 7.553 -2.212 1.00 0.00 C ATOM 0 H VAL A 69 6.583 6.790 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 69 3.993 7.746 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 69 3.510 5.953 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.476 5.466 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.698 5.470 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.572 6.856 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.527 6.906 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.500 8.377 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.233 7.950 -2.882 1.00 0.00 H new ATOM 1078 N SER A 70 4.254 10.039 -4.096 1.00 0.00 N ATOM 1079 CA SER A 70 4.332 11.417 -3.639 1.00 0.00 C ATOM 1080 C SER A 70 2.931 12.008 -3.485 1.00 0.00 C ATOM 1081 O SER A 70 2.767 13.216 -3.316 1.00 0.00 O ATOM 1082 CB SER A 70 5.157 12.248 -4.624 1.00 0.00 C ATOM 1083 OG SER A 70 6.459 11.706 -4.789 1.00 0.00 O ATOM 0 H SER A 70 3.639 9.899 -4.897 1.00 0.00 H new ATOM 0 HA SER A 70 4.822 11.437 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.650 12.283 -5.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.230 13.275 -4.265 1.00 0.00 H new ATOM 0 HG SER A 70 6.964 12.255 -5.424 1.00 0.00 H new ATOM 1089 N ALA A 71 1.923 11.143 -3.540 1.00 0.00 N ATOM 1090 CA ALA A 71 0.534 11.569 -3.414 1.00 0.00 C ATOM 1091 C ALA A 71 -0.080 11.004 -2.139 1.00 0.00 C ATOM 1092 O ALA A 71 0.341 9.950 -1.658 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.265 11.133 -4.633 1.00 0.00 C ATOM 0 H ALA A 71 2.043 10.139 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 71 0.506 12.657 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.300 11.458 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.164 11.581 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.233 10.047 -4.720 1.00 0.00 H new ATOM 1099 N MET A 72 -1.076 11.696 -1.600 1.00 0.00 N ATOM 1100 CA MET A 72 -1.663 11.314 -0.319 1.00 0.00 C ATOM 1101 C MET A 72 -3.177 11.179 -0.442 1.00 0.00 C ATOM 1102 O MET A 72 -3.858 12.150 -0.774 1.00 0.00 O ATOM 1103 CB MET A 72 -1.341 12.369 0.748 1.00 0.00 C ATOM 1104 CG MET A 72 0.113 12.808 0.753 1.00 0.00 C ATOM 1105 SD MET A 72 1.251 11.451 1.079 1.00 0.00 S ATOM 1106 CE MET A 72 2.783 12.174 0.501 1.00 0.00 C ATOM 0 H MET A 72 -1.494 12.522 -2.027 1.00 0.00 H new ATOM 0 HA MET A 72 -1.238 10.354 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.974 13.241 0.586 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.594 11.969 1.730 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.356 13.256 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.252 13.582 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.561 11.411 0.482 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.641 12.572 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.081 12.980 1.172 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.744 9.982 -0.209 1.00 0.00 N ATOM 1117 CA PRO A 73 -3.003 8.753 0.063 1.00 0.00 C ATOM 1118 C PRO A 73 -2.670 7.993 -1.229 1.00 0.00 C ATOM 1119 O PRO A 73 -3.104 8.386 -2.314 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.978 7.950 0.931 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.341 8.545 0.719 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.188 9.740 -0.185 1.00 0.00 C ATOM 0 HA PRO A 73 -2.041 8.937 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.968 6.897 0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.693 8.002 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.012 7.812 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.781 8.841 1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.576 9.538 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.731 10.603 0.199 1.00 0.00 H new ATOM 1130 N THR A 74 -1.910 6.906 -1.110 1.00 0.00 N ATOM 1131 CA THR A 74 -1.485 6.125 -2.272 1.00 0.00 C ATOM 1132 C THR A 74 -1.363 4.644 -1.920 1.00 0.00 C ATOM 1133 O THR A 74 -1.031 4.287 -0.795 1.00 0.00 O ATOM 1134 CB THR A 74 -0.132 6.648 -2.817 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.292 7.969 -3.343 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.457 5.745 -3.896 1.00 0.00 C ATOM 0 H THR A 74 -1.574 6.544 -0.217 1.00 0.00 H new ATOM 0 HA THR A 74 -2.246 6.238 -3.045 1.00 0.00 H new ATOM 0 HB THR A 74 0.563 6.655 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.162 8.611 -2.758 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.404 6.160 -4.241 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.625 4.749 -3.485 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.237 5.679 -4.734 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.666 3.790 -2.883 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.526 2.358 -2.725 1.00 0.00 C ATOM 1146 C LEU A 75 -0.568 1.809 -3.775 1.00 0.00 C ATOM 1147 O LEU A 75 -0.611 2.231 -4.933 1.00 0.00 O ATOM 1148 CB LEU A 75 -2.872 1.669 -2.918 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.012 2.140 -2.021 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -4.805 3.267 -2.674 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -4.907 0.968 -1.697 1.00 0.00 C ATOM 0 H LEU A 75 -2.017 4.074 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.145 2.166 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.177 1.801 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.734 0.599 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.591 2.538 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.610 3.579 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.145 4.113 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.228 2.916 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.724 1.300 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.315 0.556 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.330 0.201 -1.181 1.00 0.00 H new ATOM 1163 N LEU A 76 0.283 0.875 -3.385 1.00 0.00 N ATOM 1164 CA LEU A 76 1.120 0.168 -4.344 1.00 0.00 C ATOM 1165 C LEU A 76 0.947 -1.334 -4.209 1.00 0.00 C ATOM 1166 O LEU A 76 1.184 -1.906 -3.146 1.00 0.00 O ATOM 1167 CB LEU A 76 2.593 0.537 -4.188 1.00 0.00 C ATOM 1168 CG LEU A 76 3.149 1.432 -5.303 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.519 1.996 -4.934 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.229 0.640 -6.600 1.00 0.00 C ATOM 0 H LEU A 76 0.414 0.588 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 76 0.797 0.475 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.728 1.044 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.181 -0.380 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 76 2.473 2.277 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.884 2.625 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.435 2.590 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.218 1.176 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.624 1.277 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.887 -0.218 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.233 0.293 -6.877 1.00 0.00 H new ATOM 1182 N LEU A 77 0.514 -1.954 -5.290 1.00 0.00 N ATOM 1183 CA LEU A 77 0.387 -3.398 -5.363 1.00 0.00 C ATOM 1184 C LEU A 77 1.620 -3.947 -6.058 1.00 0.00 C ATOM 1185 O LEU A 77 1.988 -3.474 -7.137 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.868 -3.806 -6.154 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.231 -3.683 -5.447 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.348 -2.392 -4.650 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.331 -3.738 -6.486 1.00 0.00 C ATOM 0 H LEU A 77 0.240 -1.470 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 77 0.295 -3.801 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.904 -3.202 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.745 -4.843 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.323 -4.511 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.325 -2.349 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.568 -2.362 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.235 -1.539 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.300 -3.652 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.207 -2.916 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.279 -4.686 -7.021 1.00 0.00 H new ATOM 1201 N PHE A 78 2.258 -4.931 -5.456 1.00 0.00 N ATOM 1202 CA PHE A 78 3.477 -5.486 -6.018 1.00 0.00 C ATOM 1203 C PHE A 78 3.406 -7.004 -6.143 1.00 0.00 C ATOM 1204 O PHE A 78 2.767 -7.671 -5.330 1.00 0.00 O ATOM 1205 CB PHE A 78 4.677 -5.111 -5.156 1.00 0.00 C ATOM 1206 CG PHE A 78 5.215 -3.736 -5.420 1.00 0.00 C ATOM 1207 CD1 PHE A 78 6.131 -3.522 -6.435 1.00 0.00 C ATOM 1208 CD2 PHE A 78 4.821 -2.665 -4.647 1.00 0.00 C ATOM 1209 CE1 PHE A 78 6.643 -2.265 -6.672 1.00 0.00 C ATOM 1210 CE2 PHE A 78 5.329 -1.407 -4.881 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.241 -1.204 -5.894 1.00 0.00 C ATOM 0 H PHE A 78 1.956 -5.362 -4.582 1.00 0.00 H new ATOM 0 HA PHE A 78 3.590 -5.064 -7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.393 -5.183 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.472 -5.838 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.449 -4.351 -7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.107 -2.814 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.358 -2.113 -7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.012 -0.576 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.638 -0.216 -6.076 1.00 0.00 H new ATOM 1221 N LYS A 79 4.048 -7.539 -7.176 1.00 0.00 N ATOM 1222 CA LYS A 79 4.259 -8.967 -7.289 1.00 0.00 C ATOM 1223 C LYS A 79 5.755 -9.278 -7.379 1.00 0.00 C ATOM 1224 O LYS A 79 6.398 -8.944 -8.371 1.00 0.00 O ATOM 1225 CB LYS A 79 3.537 -9.499 -8.522 1.00 0.00 C ATOM 1226 CG LYS A 79 2.149 -10.055 -8.241 1.00 0.00 C ATOM 1227 CD LYS A 79 2.216 -11.353 -7.452 1.00 0.00 C ATOM 1228 CE LYS A 79 0.838 -11.970 -7.271 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.186 -12.274 -8.573 1.00 0.00 N ATOM 0 H LYS A 79 4.432 -6.996 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 79 3.856 -9.455 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.453 -8.696 -9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.145 -10.282 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.568 -9.320 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.628 -10.227 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.867 -12.059 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.661 -11.163 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.925 -12.886 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.208 -11.288 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.495 -13.050 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.312 -11.428 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.909 -12.557 -9.265 1.00 0.00 H new ATOM 1243 N ASN A 80 6.293 -9.898 -6.320 1.00 0.00 N ATOM 1244 CA ASN A 80 7.693 -10.370 -6.264 1.00 0.00 C ATOM 1245 C ASN A 80 8.719 -9.344 -6.764 1.00 0.00 C ATOM 1246 O ASN A 80 9.519 -9.625 -7.661 1.00 0.00 O ATOM 1247 CB ASN A 80 7.885 -11.719 -6.986 1.00 0.00 C ATOM 1248 CG ASN A 80 7.224 -11.813 -8.350 1.00 0.00 C ATOM 1249 OD1 ASN A 80 7.812 -11.447 -9.368 1.00 0.00 O ATOM 1250 ND2 ASN A 80 6.002 -12.327 -8.382 1.00 0.00 N ATOM 0 H ASN A 80 5.768 -10.090 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 80 7.890 -10.514 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.953 -11.904 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.491 -12.513 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.516 -12.431 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.549 -12.619 -7.516 1.00 0.00 H new ATOM 1257 N GLY A 81 8.708 -8.163 -6.159 1.00 0.00 N ATOM 1258 CA GLY A 81 9.695 -7.142 -6.482 1.00 0.00 C ATOM 1259 C GLY A 81 9.360 -6.389 -7.748 1.00 0.00 C ATOM 1260 O GLY A 81 10.149 -5.574 -8.227 1.00 0.00 O ATOM 0 H GLY A 81 8.031 -7.890 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.768 -6.438 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.674 -7.609 -6.590 1.00 0.00 H new ATOM 1264 N LYS A 82 8.191 -6.664 -8.292 1.00 0.00 N ATOM 1265 CA LYS A 82 7.709 -5.979 -9.471 1.00 0.00 C ATOM 1266 C LYS A 82 6.357 -5.398 -9.133 1.00 0.00 C ATOM 1267 O LYS A 82 5.685 -5.910 -8.253 1.00 0.00 O ATOM 1268 CB LYS A 82 7.582 -6.962 -10.639 1.00 0.00 C ATOM 1269 CG LYS A 82 8.819 -7.822 -10.858 1.00 0.00 C ATOM 1270 CD LYS A 82 10.029 -6.978 -11.232 1.00 0.00 C ATOM 1271 CE LYS A 82 11.261 -7.836 -11.456 1.00 0.00 C ATOM 1272 NZ LYS A 82 11.077 -8.787 -12.583 1.00 0.00 N ATOM 0 H LYS A 82 7.550 -7.369 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 82 8.403 -5.193 -9.769 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.726 -7.613 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.374 -6.403 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.035 -8.387 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.623 -8.548 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.811 -6.410 -12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.227 -6.255 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.118 -7.194 -11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.487 -8.391 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.999 -9.182 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.445 -9.558 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.658 -8.288 -13.394 1.00 0.00 H new ATOM 1286 N GLU A 83 5.955 -4.335 -9.793 1.00 0.00 N ATOM 1287 CA GLU A 83 4.650 -3.760 -9.533 1.00 0.00 C ATOM 1288 C GLU A 83 3.566 -4.701 -10.060 1.00 0.00 C ATOM 1289 O GLU A 83 3.864 -5.794 -10.547 1.00 0.00 O ATOM 1290 CB GLU A 83 4.548 -2.378 -10.196 1.00 0.00 C ATOM 1291 CG GLU A 83 3.392 -1.529 -9.688 1.00 0.00 C ATOM 1292 CD GLU A 83 3.423 -0.111 -10.221 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.272 0.687 -9.771 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.594 0.213 -11.095 1.00 0.00 O ATOM 0 H GLU A 83 6.504 -3.854 -10.506 1.00 0.00 H new ATOM 0 HA GLU A 83 4.510 -3.634 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.481 -1.838 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.442 -2.510 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.450 -1.998 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.418 -1.503 -8.599 1.00 0.00 H new ATOM 1301 N VAL A 84 2.321 -4.316 -9.859 1.00 0.00 N ATOM 1302 CA VAL A 84 1.190 -4.899 -10.567 1.00 0.00 C ATOM 1303 C VAL A 84 0.092 -3.859 -10.709 1.00 0.00 C ATOM 1304 O VAL A 84 -0.623 -3.826 -11.708 1.00 0.00 O ATOM 1305 CB VAL A 84 0.628 -6.169 -9.900 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.295 -7.410 -10.462 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.819 -6.123 -8.404 1.00 0.00 C ATOM 0 H VAL A 84 2.060 -3.586 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 84 1.558 -5.208 -11.545 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.440 -6.211 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.884 -8.295 -9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.113 -7.466 -11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.368 -7.361 -10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.414 -7.031 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.882 -6.049 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.299 -5.255 -7.997 1.00 0.00 H new ATOM 1317 N ALA A 85 -0.010 -2.986 -9.712 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.949 -1.877 -9.762 1.00 0.00 C ATOM 1319 C ALA A 85 -0.577 -0.800 -8.748 1.00 0.00 C ATOM 1320 O ALA A 85 0.023 -1.087 -7.720 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.372 -2.369 -9.536 1.00 0.00 C ATOM 0 H ALA A 85 0.548 -3.027 -8.859 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.896 -1.432 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.060 -1.524 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.635 -3.089 -10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.441 -2.846 -8.558 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.922 0.440 -9.059 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.643 1.571 -8.183 1.00 0.00 C ATOM 1329 C LYS A 86 -1.773 2.589 -8.277 1.00 0.00 C ATOM 1330 O LYS A 86 -2.169 2.984 -9.375 1.00 0.00 O ATOM 1331 CB LYS A 86 0.688 2.221 -8.567 1.00 0.00 C ATOM 1332 CG LYS A 86 1.033 3.453 -7.740 1.00 0.00 C ATOM 1333 CD LYS A 86 2.397 4.021 -8.110 1.00 0.00 C ATOM 1334 CE LYS A 86 2.449 4.470 -9.562 1.00 0.00 C ATOM 1335 NZ LYS A 86 1.453 5.536 -9.854 1.00 0.00 N ATOM 0 H LYS A 86 -1.402 0.692 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.572 1.215 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.485 1.486 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.655 2.500 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.269 4.216 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.022 3.194 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.627 4.865 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.164 3.266 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.449 4.836 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.265 3.615 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.634 5.930 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.495 5.133 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.534 6.291 -9.143 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.301 3.001 -7.134 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.455 3.889 -7.112 1.00 0.00 C ATOM 1351 C VAL A 87 -3.224 5.039 -6.146 1.00 0.00 C ATOM 1352 O VAL A 87 -2.897 4.823 -4.984 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.750 3.139 -6.725 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.954 4.062 -6.828 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.946 1.908 -7.601 1.00 0.00 C ATOM 0 H VAL A 87 -1.951 2.736 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.579 4.281 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.654 2.810 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.856 3.516 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.822 4.909 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.048 4.424 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.864 1.397 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.016 2.212 -8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.099 1.233 -7.475 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.393 6.256 -6.627 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.189 7.435 -5.800 1.00 0.00 C ATOM 1367 C VAL A 88 -4.511 7.937 -5.218 1.00 0.00 C ATOM 1368 O VAL A 88 -4.904 9.087 -5.420 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.488 8.565 -6.588 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.031 8.209 -6.846 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.201 8.839 -7.905 1.00 0.00 C ATOM 0 H VAL A 88 -3.671 6.456 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.538 7.141 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.529 9.471 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.552 9.015 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.517 8.069 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.979 7.288 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.686 9.638 -8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.198 7.936 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.230 9.140 -7.706 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.200 7.062 -4.495 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.452 7.432 -3.878 1.00 0.00 C ATOM 1383 C GLY A 89 -7.243 6.217 -3.455 1.00 0.00 C ATOM 1384 O GLY A 89 -7.265 5.211 -4.161 1.00 0.00 O ATOM 0 H GLY A 89 -4.909 6.099 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.258 8.061 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.041 8.026 -4.577 1.00 0.00 H new ATOM 1388 N ALA A 90 -7.871 6.297 -2.297 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.680 5.205 -1.800 1.00 0.00 C ATOM 1390 C ALA A 90 -9.940 5.051 -2.620 1.00 0.00 C ATOM 1391 O ALA A 90 -10.840 5.888 -2.564 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.035 5.442 -0.358 1.00 0.00 C ATOM 0 H ALA A 90 -7.835 7.110 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.100 4.286 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.644 4.615 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.123 5.511 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.596 6.372 -0.270 1.00 0.00 H new ATOM 1398 N ASN A 91 -9.991 3.994 -3.394 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.156 3.703 -4.194 1.00 0.00 C ATOM 1400 C ASN A 91 -11.759 2.378 -3.741 1.00 0.00 C ATOM 1401 O ASN A 91 -11.411 1.335 -4.284 1.00 0.00 O ATOM 1402 CB ASN A 91 -10.748 3.627 -5.662 1.00 0.00 C ATOM 1403 CG ASN A 91 -11.784 4.222 -6.595 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -11.457 4.667 -7.695 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.030 4.260 -6.157 1.00 0.00 N ATOM 0 H ASN A 91 -9.234 3.317 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.901 4.489 -4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.801 4.150 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.578 2.585 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.762 4.669 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.260 3.880 -5.239 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.678 2.419 -2.753 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.254 1.240 -2.094 1.00 0.00 C ATOM 1414 C PRO A 92 -13.327 -0.022 -2.957 1.00 0.00 C ATOM 1415 O PRO A 92 -12.548 -0.955 -2.763 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.648 1.733 -1.732 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.453 3.176 -1.395 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.232 3.651 -2.159 1.00 0.00 C ATOM 0 HA PRO A 92 -12.637 0.913 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.342 1.609 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.059 1.179 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.332 3.758 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.310 3.305 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.499 4.378 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.512 4.134 -1.499 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.232 -0.041 -3.923 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.466 -1.247 -4.704 1.00 0.00 C ATOM 1428 C ALA A 93 -13.346 -1.498 -5.696 1.00 0.00 C ATOM 1429 O ALA A 93 -12.882 -2.625 -5.834 1.00 0.00 O ATOM 1430 CB ALA A 93 -15.802 -1.171 -5.423 1.00 0.00 C ATOM 0 H ALA A 93 -14.812 0.756 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.489 -2.086 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.957 -2.082 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.603 -1.064 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.806 -0.312 -6.093 1.00 0.00 H new ATOM 1436 N ALA A 94 -12.901 -0.447 -6.370 1.00 0.00 N ATOM 1437 CA ALA A 94 -11.865 -0.576 -7.387 1.00 0.00 C ATOM 1438 C ALA A 94 -10.569 -1.115 -6.796 1.00 0.00 C ATOM 1439 O ALA A 94 -9.838 -1.848 -7.461 1.00 0.00 O ATOM 1440 CB ALA A 94 -11.614 0.756 -8.074 1.00 0.00 C ATOM 0 H ALA A 94 -13.241 0.505 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.222 -1.291 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.837 0.635 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -12.533 1.099 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.292 1.491 -7.336 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.292 -0.763 -5.548 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.091 -1.240 -4.880 1.00 0.00 C ATOM 1448 C ILE A 95 -9.254 -2.695 -4.485 1.00 0.00 C ATOM 1449 O ILE A 95 -8.402 -3.529 -4.778 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.748 -0.418 -3.622 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.376 1.019 -3.994 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.611 -1.082 -2.860 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.189 1.121 -4.924 1.00 0.00 C ATOM 0 H ILE A 95 -10.880 -0.152 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.273 -1.127 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.629 -0.383 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.236 1.497 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.160 1.576 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.376 -0.494 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.911 -2.086 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.730 -1.142 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.986 2.170 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.316 0.674 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.408 0.593 -5.852 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.365 -3.000 -3.839 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.628 -4.353 -3.384 1.00 0.00 C ATOM 1467 C LYS A 96 -10.833 -5.293 -4.576 1.00 0.00 C ATOM 1468 O LYS A 96 -10.624 -6.503 -4.482 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.830 -4.360 -2.441 1.00 0.00 C ATOM 1470 CG LYS A 96 -11.608 -3.507 -1.199 1.00 0.00 C ATOM 1471 CD LYS A 96 -12.900 -3.218 -0.447 1.00 0.00 C ATOM 1472 CE LYS A 96 -13.741 -4.465 -0.232 1.00 0.00 C ATOM 1473 NZ LYS A 96 -12.967 -5.577 0.379 1.00 0.00 N ATOM 0 H LYS A 96 -11.100 -2.328 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.764 -4.720 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.708 -3.995 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.044 -5.385 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.911 -4.016 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.142 -2.565 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.662 -2.773 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.482 -2.482 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.588 -4.221 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.149 -4.793 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.587 -6.127 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.597 -6.195 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.175 -5.187 0.929 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.233 -4.727 -5.702 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.279 -5.470 -6.953 1.00 0.00 C ATOM 1489 C GLN A 97 -9.876 -5.599 -7.538 1.00 0.00 C ATOM 1490 O GLN A 97 -9.542 -6.605 -8.165 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.216 -4.781 -7.954 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.315 -5.488 -9.299 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.877 -6.895 -9.190 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.692 -7.190 -8.314 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.444 -7.774 -10.079 1.00 0.00 N ATOM 0 H GLN A 97 -11.531 -3.754 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.668 -6.468 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.212 -4.714 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.870 -3.760 -8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.946 -4.901 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.325 -5.532 -9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.769 -7.491 -10.789 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.786 -8.735 -10.054 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.043 -4.592 -7.298 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.683 -4.591 -7.807 1.00 0.00 C ATOM 1506 C ALA A 98 -6.884 -5.705 -7.166 1.00 0.00 C ATOM 1507 O ALA A 98 -6.320 -6.547 -7.851 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.012 -3.249 -7.568 1.00 0.00 C ATOM 0 H ALA A 98 -9.290 -3.766 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.721 -4.760 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.995 -3.276 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.575 -2.465 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.984 -3.041 -6.498 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.868 -5.725 -5.845 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.104 -6.720 -5.103 1.00 0.00 C ATOM 1516 C ILE A 99 -6.476 -8.127 -5.564 1.00 0.00 C ATOM 1517 O ILE A 99 -5.627 -9.009 -5.657 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.348 -6.639 -3.580 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.522 -5.198 -3.096 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.192 -7.302 -2.853 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.488 -4.245 -3.626 1.00 0.00 C ATOM 0 H ILE A 99 -7.376 -5.062 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.053 -6.508 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.279 -7.162 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.511 -4.844 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.488 -5.185 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.359 -7.247 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.122 -8.346 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.263 -6.789 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.681 -3.245 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.497 -4.572 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.535 -4.226 -4.715 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.756 -8.316 -5.875 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.260 -9.614 -6.314 1.00 0.00 C ATOM 1535 C ALA A 100 -7.817 -9.925 -7.743 1.00 0.00 C ATOM 1536 O ALA A 100 -7.706 -11.088 -8.133 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.777 -9.648 -6.210 1.00 0.00 C ATOM 0 H ALA A 100 -8.465 -7.584 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.842 -10.380 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.143 -10.620 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.075 -9.480 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.203 -8.867 -6.841 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.566 -8.877 -8.514 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.135 -9.017 -9.898 1.00 0.00 C ATOM 1545 C ALA A 101 -5.635 -9.265 -9.992 1.00 0.00 C ATOM 1546 O ALA A 101 -5.175 -10.074 -10.797 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.499 -7.771 -10.685 1.00 0.00 C ATOM 0 H ALA A 101 -7.655 -7.910 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.649 -9.880 -10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.173 -7.885 -11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.579 -7.627 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.007 -6.905 -10.243 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.875 -8.562 -9.163 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.416 -8.620 -9.214 1.00 0.00 C ATOM 1555 C ASN A 102 -2.882 -9.819 -8.436 1.00 0.00 C ATOM 1556 O ASN A 102 -1.703 -10.156 -8.531 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.811 -7.324 -8.672 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.284 -6.099 -9.431 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.745 -5.753 -10.480 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.274 -5.419 -8.878 1.00 0.00 N ATOM 0 H ASN A 102 -5.245 -7.941 -8.443 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.122 -8.737 -10.257 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.072 -7.218 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.724 -7.384 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.620 -4.569 -9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.691 -5.744 -8.006 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.752 -10.453 -7.664 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.383 -11.647 -6.916 1.00 0.00 C ATOM 1569 C ALA A 103 -3.301 -12.857 -7.839 1.00 0.00 C ATOM 1570 O ALA A 103 -4.359 -13.315 -8.318 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.376 -11.902 -5.793 1.00 0.00 C ATOM 1572 OXT ALA A 103 -2.178 -13.347 -8.082 1.00 0.00 O ATOM 0 H ALA A 103 -4.721 -10.160 -7.539 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.399 -11.483 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.084 -12.798 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.385 -11.049 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.372 -12.042 -6.213 1.00 0.00 H new TER 1578 ALA A 103