USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 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 11 MET CE :methyl 158:sc= 0 (180deg=-0.412) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.808 K(o=-0.81,f=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.118 (180deg=-0.187) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.194 K(o=-0.19,f=-0.9) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.12) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.345 K(o=-0.35,f=-2.2!) USER MOD Single : A 36 HIS : +bothHN:sc= -3.83! C(o=-3.8!,f=-5.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.52! C(o=-2.5!,f=-5.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0866 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc=-0.000935 (180deg=-0.067) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.713 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.305 F(o=-3.2!,f=-0.31) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0384 (180deg=-0.251) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.016 7.571 11.990 1.00 63.52 N ATOM 2 CA MET A 1 13.178 8.772 11.711 1.00 63.52 C ATOM 3 C MET A 1 14.026 10.053 11.574 1.00 54.43 C ATOM 4 O MET A 1 13.485 11.160 11.529 1.00 21.22 O ATOM 5 CB MET A 1 12.135 8.956 12.826 1.00 22.32 C ATOM 6 CG MET A 1 12.738 9.172 14.211 1.00 71.25 C ATOM 7 SD MET A 1 11.482 9.450 15.476 1.00 33.35 S ATOM 8 CE MET A 1 12.498 9.597 16.946 1.00 20.20 C ATOM 0 H1 MET A 1 13.400 6.753 12.175 1.00 63.52 H new ATOM 0 H2 MET A 1 14.620 7.371 11.168 1.00 63.52 H new ATOM 0 H3 MET A 1 14.613 7.750 12.823 1.00 63.52 H new ATOM 0 HA MET A 1 12.676 8.605 10.758 1.00 63.52 H new ATOM 0 HB2 MET A 1 11.502 9.808 12.580 1.00 22.32 H new ATOM 0 HB3 MET A 1 11.490 8.078 12.855 1.00 22.32 H new ATOM 0 HG2 MET A 1 13.336 8.302 14.483 1.00 71.25 H new ATOM 0 HG3 MET A 1 13.414 10.027 14.180 1.00 71.25 H new ATOM 0 HE1 MET A 1 11.861 9.772 17.813 1.00 20.20 H new ATOM 0 HE2 MET A 1 13.064 8.677 17.091 1.00 20.20 H new ATOM 0 HE3 MET A 1 13.188 10.432 16.829 1.00 20.20 H new ATOM 20 N GLY A 2 15.349 9.901 11.492 1.00 2.22 N ATOM 21 CA GLY A 2 16.240 11.058 11.426 1.00 23.31 C ATOM 22 C GLY A 2 16.199 11.796 10.086 1.00 43.31 C ATOM 23 O GLY A 2 16.526 11.228 9.043 1.00 51.34 O ATOM 0 H GLY A 2 15.822 8.998 11.470 1.00 2.22 H new ATOM 0 HA2 GLY A 2 15.975 11.754 12.222 1.00 23.31 H new ATOM 0 HA3 GLY A 2 17.261 10.729 11.618 1.00 23.31 H new ATOM 27 N HIS A 3 15.808 13.070 10.117 1.00 43.21 N ATOM 28 CA HIS A 3 15.773 13.904 8.908 1.00 72.20 C ATOM 29 C HIS A 3 17.169 14.467 8.589 1.00 11.53 C ATOM 30 O HIS A 3 17.699 15.304 9.324 1.00 73.03 O ATOM 31 CB HIS A 3 14.767 15.048 9.088 1.00 64.04 C ATOM 32 CG HIS A 3 13.374 14.575 9.382 1.00 64.34 C ATOM 33 ND1 HIS A 3 12.859 14.495 10.656 1.00 24.30 N ATOM 34 CD2 HIS A 3 12.386 14.151 8.557 1.00 13.44 C ATOM 35 CE1 HIS A 3 11.624 14.044 10.606 1.00 23.41 C ATOM 36 NE2 HIS A 3 11.310 13.828 9.347 1.00 11.44 N ATOM 0 H HIS A 3 15.510 13.551 10.966 1.00 43.21 H new ATOM 0 HA HIS A 3 15.458 13.282 8.070 1.00 72.20 H new ATOM 0 HB2 HIS A 3 15.103 15.693 9.900 1.00 64.04 H new ATOM 0 HB3 HIS A 3 14.753 15.656 8.183 1.00 64.04 H new ATOM 0 HD2 HIS A 3 12.435 14.080 7.480 1.00 13.44 H new ATOM 0 HE1 HIS A 3 10.977 13.879 11.455 1.00 23.41 H new ATOM 0 HE2 HIS A 3 10.413 13.477 9.012 1.00 11.44 H new ATOM 45 N HIS A 4 17.758 14.014 7.486 1.00 43.52 N ATOM 46 CA HIS A 4 19.134 14.388 7.133 1.00 35.22 C ATOM 47 C HIS A 4 19.196 15.494 6.070 1.00 50.43 C ATOM 48 O HIS A 4 18.306 15.621 5.229 1.00 35.23 O ATOM 49 CB HIS A 4 19.896 13.153 6.645 1.00 71.22 C ATOM 50 CG HIS A 4 20.039 12.100 7.700 1.00 52.44 C ATOM 51 ND1 HIS A 4 19.101 11.114 7.913 1.00 61.23 N ATOM 52 CD2 HIS A 4 21.018 11.884 8.608 1.00 23.22 C ATOM 53 CE1 HIS A 4 19.496 10.341 8.901 1.00 14.32 C ATOM 54 NE2 HIS A 4 20.656 10.783 9.340 1.00 35.42 N ATOM 0 H HIS A 4 17.309 13.387 6.818 1.00 43.52 H new ATOM 0 HA HIS A 4 19.600 14.786 8.034 1.00 35.22 H new ATOM 0 HB2 HIS A 4 19.378 12.730 5.785 1.00 71.22 H new ATOM 0 HB3 HIS A 4 20.886 13.455 6.304 1.00 71.22 H new ATOM 0 HD1 HIS A 4 18.235 11.001 7.386 1.00 61.23 H new ATOM 0 HD2 HIS A 4 21.917 12.470 8.733 1.00 23.22 H new ATOM 0 HE1 HIS A 4 18.959 9.487 9.287 1.00 14.32 H new ATOM 63 N HIS A 5 20.268 16.291 6.120 1.00 12.40 N ATOM 64 CA HIS A 5 20.494 17.361 5.142 1.00 2.02 C ATOM 65 C HIS A 5 20.914 16.785 3.779 1.00 52.41 C ATOM 66 O HIS A 5 20.611 17.356 2.734 1.00 35.33 O ATOM 67 CB HIS A 5 21.562 18.335 5.661 1.00 50.22 C ATOM 68 CG HIS A 5 21.879 19.455 4.714 1.00 72.54 C ATOM 69 ND1 HIS A 5 21.096 20.581 4.597 1.00 21.31 N ATOM 70 CD2 HIS A 5 22.895 19.619 3.830 1.00 41.43 C ATOM 71 CE1 HIS A 5 21.609 21.384 3.691 1.00 41.45 C ATOM 72 NE2 HIS A 5 22.698 20.828 3.209 1.00 24.42 N ATOM 0 H HIS A 5 20.996 16.215 6.830 1.00 12.40 H new ATOM 0 HA HIS A 5 19.557 17.901 5.006 1.00 2.02 H new ATOM 0 HB2 HIS A 5 21.224 18.758 6.607 1.00 50.22 H new ATOM 0 HB3 HIS A 5 22.476 17.779 5.869 1.00 50.22 H new ATOM 0 HD2 HIS A 5 23.706 18.929 3.649 1.00 41.43 H new ATOM 0 HE1 HIS A 5 21.204 22.340 3.393 1.00 41.45 H new ATOM 0 HE2 HIS A 5 23.300 21.230 2.490 1.00 24.42 H new ATOM 81 N HIS A 6 21.632 15.660 3.800 1.00 24.32 N ATOM 82 CA HIS A 6 21.986 14.953 2.563 1.00 44.44 C ATOM 83 C HIS A 6 20.719 14.390 1.896 1.00 45.23 C ATOM 84 O HIS A 6 20.195 13.351 2.307 1.00 64.45 O ATOM 85 CB HIS A 6 22.991 13.830 2.852 1.00 0.41 C ATOM 86 CG HIS A 6 24.269 14.313 3.479 1.00 44.40 C ATOM 87 ND1 HIS A 6 24.674 13.950 4.745 1.00 1.55 N ATOM 88 CD2 HIS A 6 25.241 15.132 3.002 1.00 20.44 C ATOM 89 CE1 HIS A 6 25.829 14.522 5.020 1.00 70.25 C ATOM 90 NE2 HIS A 6 26.193 15.241 3.982 1.00 14.42 N ATOM 0 H HIS A 6 21.979 15.220 4.652 1.00 24.32 H new ATOM 0 HA HIS A 6 22.456 15.659 1.878 1.00 44.44 H new ATOM 0 HB2 HIS A 6 22.526 13.099 3.513 1.00 0.41 H new ATOM 0 HB3 HIS A 6 23.225 13.315 1.920 1.00 0.41 H new ATOM 0 HD2 HIS A 6 25.260 15.608 2.033 1.00 20.44 H new ATOM 0 HE1 HIS A 6 26.382 14.418 5.942 1.00 70.25 H new ATOM 0 HE2 HIS A 6 27.048 15.793 3.916 1.00 14.42 H new ATOM 99 N HIS A 7 20.229 15.091 0.873 1.00 52.24 N ATOM 100 CA HIS A 7 18.920 14.799 0.278 1.00 13.01 C ATOM 101 C HIS A 7 18.931 13.514 -0.569 1.00 1.11 C ATOM 102 O HIS A 7 18.982 13.560 -1.799 1.00 34.42 O ATOM 103 CB HIS A 7 18.449 15.999 -0.560 1.00 4.15 C ATOM 104 CG HIS A 7 17.021 15.907 -1.014 1.00 53.05 C ATOM 105 ND1 HIS A 7 15.977 16.456 -0.306 1.00 4.11 N ATOM 106 CD2 HIS A 7 16.466 15.343 -2.116 1.00 1.10 C ATOM 107 CE1 HIS A 7 14.846 16.234 -0.944 1.00 33.43 C ATOM 108 NE2 HIS A 7 15.111 15.563 -2.045 1.00 42.31 N ATOM 0 H HIS A 7 20.721 15.870 0.435 1.00 52.24 H new ATOM 0 HA HIS A 7 18.218 14.628 1.094 1.00 13.01 H new ATOM 0 HB2 HIS A 7 18.575 16.909 0.026 1.00 4.15 H new ATOM 0 HB3 HIS A 7 19.092 16.092 -1.435 1.00 4.15 H new ATOM 0 HD2 HIS A 7 16.990 14.819 -2.902 1.00 1.10 H new ATOM 0 HE1 HIS A 7 13.866 16.550 -0.618 1.00 33.43 H new ATOM 0 HE2 HIS A 7 14.423 15.256 -2.733 1.00 42.31 H new ATOM 117 N HIS A 8 18.889 12.370 0.106 1.00 52.30 N ATOM 118 CA HIS A 8 18.741 11.075 -0.567 1.00 25.24 C ATOM 119 C HIS A 8 17.361 10.479 -0.270 1.00 63.51 C ATOM 120 O HIS A 8 17.181 9.736 0.693 1.00 55.42 O ATOM 121 CB HIS A 8 19.847 10.101 -0.139 1.00 2.20 C ATOM 122 CG HIS A 8 21.220 10.554 -0.525 1.00 42.11 C ATOM 123 ND1 HIS A 8 21.751 10.358 -1.779 1.00 2.42 N ATOM 124 CD2 HIS A 8 22.170 11.209 0.183 1.00 62.05 C ATOM 125 CE1 HIS A 8 22.963 10.870 -1.828 1.00 44.31 C ATOM 126 NE2 HIS A 8 23.243 11.394 -0.653 1.00 44.22 N ATOM 0 H HIS A 8 18.955 12.309 1.122 1.00 52.30 H new ATOM 0 HA HIS A 8 18.832 11.237 -1.641 1.00 25.24 H new ATOM 0 HB2 HIS A 8 19.806 9.969 0.942 1.00 2.20 H new ATOM 0 HB3 HIS A 8 19.655 9.126 -0.586 1.00 2.20 H new ATOM 0 HD2 HIS A 8 22.097 11.527 1.213 1.00 62.05 H new ATOM 0 HE1 HIS A 8 23.617 10.862 -2.687 1.00 44.31 H new ATOM 0 HE2 HIS A 8 24.115 11.861 -0.404 1.00 44.22 H new ATOM 135 N SER A 9 16.382 10.834 -1.095 1.00 4.12 N ATOM 136 CA SER A 9 14.992 10.432 -0.859 1.00 35.01 C ATOM 137 C SER A 9 14.235 10.220 -2.173 1.00 64.23 C ATOM 138 O SER A 9 13.876 11.177 -2.861 1.00 44.13 O ATOM 139 CB SER A 9 14.271 11.487 -0.001 1.00 55.41 C ATOM 140 OG SER A 9 12.904 11.158 0.204 1.00 1.04 O ATOM 0 H SER A 9 16.521 11.399 -1.933 1.00 4.12 H new ATOM 0 HA SER A 9 15.009 9.482 -0.325 1.00 35.01 H new ATOM 0 HB2 SER A 9 14.772 11.575 0.963 1.00 55.41 H new ATOM 0 HB3 SER A 9 14.341 12.460 -0.487 1.00 55.41 H new ATOM 0 HG SER A 9 12.480 11.850 0.754 1.00 1.04 H new ATOM 146 N HIS A 10 14.007 8.957 -2.520 1.00 61.11 N ATOM 147 CA HIS A 10 13.225 8.600 -3.706 1.00 34.23 C ATOM 148 C HIS A 10 12.061 7.684 -3.307 1.00 40.12 C ATOM 149 O HIS A 10 12.272 6.595 -2.771 1.00 45.43 O ATOM 150 CB HIS A 10 14.115 7.927 -4.766 1.00 2.24 C ATOM 151 CG HIS A 10 14.779 6.661 -4.302 1.00 33.02 C ATOM 152 ND1 HIS A 10 14.445 5.415 -4.789 1.00 12.22 N ATOM 153 CD2 HIS A 10 15.762 6.451 -3.393 1.00 52.11 C ATOM 154 CE1 HIS A 10 15.188 4.500 -4.199 1.00 61.15 C ATOM 155 NE2 HIS A 10 15.994 5.101 -3.349 1.00 73.42 N ATOM 0 H HIS A 10 14.355 8.155 -1.994 1.00 61.11 H new ATOM 0 HA HIS A 10 12.818 9.511 -4.145 1.00 34.23 H new ATOM 0 HB2 HIS A 10 13.509 7.705 -5.644 1.00 2.24 H new ATOM 0 HB3 HIS A 10 14.884 8.633 -5.079 1.00 2.24 H new ATOM 0 HD2 HIS A 10 16.268 7.207 -2.811 1.00 52.11 H new ATOM 0 HE1 HIS A 10 15.143 3.437 -4.382 1.00 61.15 H new ATOM 0 HE2 HIS A 10 16.680 4.637 -2.754 1.00 73.42 H new ATOM 164 N MET A 11 10.838 8.143 -3.553 1.00 21.10 N ATOM 165 CA MET A 11 9.639 7.429 -3.108 1.00 45.22 C ATOM 166 C MET A 11 9.509 6.041 -3.751 1.00 31.14 C ATOM 167 O MET A 11 9.991 5.801 -4.861 1.00 11.41 O ATOM 168 CB MET A 11 8.385 8.264 -3.400 1.00 10.40 C ATOM 169 CG MET A 11 8.403 9.631 -2.728 1.00 32.05 C ATOM 170 SD MET A 11 8.705 9.520 -0.953 1.00 4.12 S ATOM 171 CE MET A 11 8.734 11.252 -0.494 1.00 33.24 C ATOM 0 H MET A 11 10.648 9.008 -4.059 1.00 21.10 H new ATOM 0 HA MET A 11 9.737 7.279 -2.033 1.00 45.22 H new ATOM 0 HB2 MET A 11 8.288 8.397 -4.477 1.00 10.40 H new ATOM 0 HB3 MET A 11 7.505 7.714 -3.067 1.00 10.40 H new ATOM 0 HG2 MET A 11 9.175 10.249 -3.187 1.00 32.05 H new ATOM 0 HG3 MET A 11 7.450 10.131 -2.901 1.00 32.05 H new ATOM 0 HE1 MET A 11 8.520 11.350 0.570 1.00 33.24 H new ATOM 0 HE2 MET A 11 9.719 11.668 -0.706 1.00 33.24 H new ATOM 0 HE3 MET A 11 7.981 11.793 -1.067 1.00 33.24 H new ATOM 181 N VAL A 12 8.857 5.130 -3.035 1.00 73.45 N ATOM 182 CA VAL A 12 8.632 3.765 -3.517 1.00 51.24 C ATOM 183 C VAL A 12 7.137 3.418 -3.471 1.00 13.33 C ATOM 184 O VAL A 12 6.498 3.526 -2.426 1.00 31.20 O ATOM 185 CB VAL A 12 9.431 2.734 -2.677 1.00 11.10 C ATOM 186 CG1 VAL A 12 9.219 1.313 -3.192 1.00 72.03 C ATOM 187 CG2 VAL A 12 10.915 3.086 -2.671 1.00 53.23 C ATOM 0 H VAL A 12 8.470 5.312 -2.109 1.00 73.45 H new ATOM 0 HA VAL A 12 8.981 3.718 -4.548 1.00 51.24 H new ATOM 0 HB VAL A 12 9.058 2.776 -1.654 1.00 11.10 H new ATOM 0 HG11 VAL A 12 9.793 0.615 -2.582 1.00 72.03 H new ATOM 0 HG12 VAL A 12 8.160 1.059 -3.135 1.00 72.03 H new ATOM 0 HG13 VAL A 12 9.552 1.248 -4.228 1.00 72.03 H new ATOM 0 HG21 VAL A 12 11.461 2.353 -2.077 1.00 53.23 H new ATOM 0 HG22 VAL A 12 11.294 3.080 -3.693 1.00 53.23 H new ATOM 0 HG23 VAL A 12 11.052 4.077 -2.239 1.00 53.23 H new ATOM 197 N VAL A 13 6.588 2.999 -4.606 1.00 12.31 N ATOM 198 CA VAL A 13 5.149 2.743 -4.727 1.00 0.31 C ATOM 199 C VAL A 13 4.821 1.239 -4.752 1.00 41.42 C ATOM 200 O VAL A 13 5.709 0.387 -4.696 1.00 60.31 O ATOM 201 CB VAL A 13 4.578 3.407 -6.008 1.00 23.12 C ATOM 202 CG1 VAL A 13 4.798 4.920 -5.982 1.00 11.43 C ATOM 203 CG2 VAL A 13 5.198 2.787 -7.260 1.00 10.11 C ATOM 0 H VAL A 13 7.117 2.828 -5.461 1.00 12.31 H new ATOM 0 HA VAL A 13 4.683 3.179 -3.843 1.00 0.31 H new ATOM 0 HB VAL A 13 3.504 3.224 -6.035 1.00 23.12 H new ATOM 0 HG11 VAL A 13 4.389 5.363 -6.890 1.00 11.43 H new ATOM 0 HG12 VAL A 13 4.296 5.346 -5.113 1.00 11.43 H new ATOM 0 HG13 VAL A 13 5.866 5.131 -5.924 1.00 11.43 H new ATOM 0 HG21 VAL A 13 4.784 3.267 -8.147 1.00 10.11 H new ATOM 0 HG22 VAL A 13 6.278 2.931 -7.240 1.00 10.11 H new ATOM 0 HG23 VAL A 13 4.974 1.721 -7.287 1.00 10.11 H new ATOM 213 N ILE A 14 3.530 0.926 -4.831 1.00 72.10 N ATOM 214 CA ILE A 14 3.061 -0.456 -4.933 1.00 63.44 C ATOM 215 C ILE A 14 1.962 -0.564 -6.003 1.00 45.43 C ATOM 216 O ILE A 14 1.123 0.329 -6.129 1.00 41.33 O ATOM 217 CB ILE A 14 2.525 -0.968 -3.568 1.00 72.40 C ATOM 218 CG1 ILE A 14 2.159 -2.458 -3.653 1.00 41.45 C ATOM 219 CG2 ILE A 14 1.326 -0.135 -3.105 1.00 51.03 C ATOM 220 CD1 ILE A 14 1.655 -3.038 -2.350 1.00 21.33 C ATOM 0 H ILE A 14 2.781 1.619 -4.826 1.00 72.10 H new ATOM 0 HA ILE A 14 3.907 -1.079 -5.222 1.00 63.44 H new ATOM 0 HB ILE A 14 3.317 -0.855 -2.828 1.00 72.40 H new ATOM 0 HG12 ILE A 14 1.395 -2.592 -4.419 1.00 41.45 H new ATOM 0 HG13 ILE A 14 3.036 -3.020 -3.975 1.00 41.45 H new ATOM 0 HG21 ILE A 14 0.969 -0.513 -2.147 1.00 51.03 H new ATOM 0 HG22 ILE A 14 1.628 0.907 -2.995 1.00 51.03 H new ATOM 0 HG23 ILE A 14 0.527 -0.205 -3.843 1.00 51.03 H new ATOM 0 HD11 ILE A 14 1.417 -4.093 -2.489 1.00 21.33 H new ATOM 0 HD12 ILE A 14 2.425 -2.937 -1.585 1.00 21.33 H new ATOM 0 HD13 ILE A 14 0.759 -2.502 -2.036 1.00 21.33 H new ATOM 232 N ARG A 15 1.967 -1.645 -6.780 1.00 33.20 N ATOM 233 CA ARG A 15 1.014 -1.791 -7.886 1.00 14.43 C ATOM 234 C ARG A 15 0.307 -3.158 -7.882 1.00 43.15 C ATOM 235 O ARG A 15 0.584 -4.015 -7.038 1.00 62.43 O ATOM 236 CB ARG A 15 1.724 -1.572 -9.229 1.00 1.50 C ATOM 237 CG ARG A 15 2.807 -2.600 -9.543 1.00 33.41 C ATOM 238 CD ARG A 15 3.366 -2.408 -10.949 1.00 5.50 C ATOM 239 NE ARG A 15 4.425 -3.364 -11.263 1.00 35.14 N ATOM 240 CZ ARG A 15 4.694 -3.791 -12.469 1.00 53.42 C ATOM 241 NH1 ARG A 15 3.973 -3.421 -13.479 1.00 70.44 N ATOM 242 NH2 ARG A 15 5.682 -4.602 -12.656 1.00 73.11 N ATOM 0 H ARG A 15 2.612 -2.427 -6.669 1.00 33.20 H new ATOM 0 HA ARG A 15 0.246 -1.031 -7.746 1.00 14.43 H new ATOM 0 HB2 ARG A 15 0.981 -1.590 -10.026 1.00 1.50 H new ATOM 0 HB3 ARG A 15 2.171 -0.578 -9.232 1.00 1.50 H new ATOM 0 HG2 ARG A 15 3.613 -2.515 -8.815 1.00 33.41 H new ATOM 0 HG3 ARG A 15 2.396 -3.605 -9.448 1.00 33.41 H new ATOM 0 HD2 ARG A 15 2.560 -2.512 -11.675 1.00 5.50 H new ATOM 0 HD3 ARG A 15 3.755 -1.394 -11.047 1.00 5.50 H new ATOM 0 HE ARG A 15 4.990 -3.721 -10.493 1.00 35.14 H new ATOM 0 HH11 ARG A 15 3.185 -2.789 -13.339 1.00 70.44 H new ATOM 0 HH12 ARG A 15 4.193 -3.761 -14.415 1.00 70.44 H new ATOM 0 HH21 ARG A 15 6.249 -4.907 -11.864 1.00 73.11 H new ATOM 0 HH22 ARG A 15 5.895 -4.938 -13.595 1.00 73.11 H new ATOM 256 N ARG A 16 -0.604 -3.340 -8.845 1.00 65.41 N ATOM 257 CA ARG A 16 -1.409 -4.569 -8.974 1.00 25.03 C ATOM 258 C ARG A 16 -2.338 -4.764 -7.752 1.00 2.44 C ATOM 259 O ARG A 16 -2.593 -5.887 -7.322 1.00 44.44 O ATOM 260 CB ARG A 16 -0.493 -5.800 -9.175 1.00 62.20 C ATOM 261 CG ARG A 16 -1.031 -6.844 -10.166 1.00 51.14 C ATOM 262 CD ARG A 16 -2.395 -7.396 -9.759 1.00 31.33 C ATOM 263 NE ARG A 16 -2.869 -8.442 -10.662 1.00 34.53 N ATOM 264 CZ ARG A 16 -4.032 -9.028 -10.557 1.00 43.22 C ATOM 265 NH1 ARG A 16 -4.884 -8.656 -9.657 1.00 45.13 N ATOM 266 NH2 ARG A 16 -4.353 -9.971 -11.374 1.00 73.42 N ATOM 0 H ARG A 16 -0.807 -2.641 -9.560 1.00 65.41 H new ATOM 0 HA ARG A 16 -2.042 -4.465 -9.855 1.00 25.03 H new ATOM 0 HB2 ARG A 16 0.482 -5.458 -9.522 1.00 62.20 H new ATOM 0 HB3 ARG A 16 -0.337 -6.282 -8.210 1.00 62.20 H new ATOM 0 HG2 ARG A 16 -1.107 -6.394 -11.156 1.00 51.14 H new ATOM 0 HG3 ARG A 16 -0.319 -7.666 -10.243 1.00 51.14 H new ATOM 0 HD2 ARG A 16 -2.334 -7.795 -8.747 1.00 31.33 H new ATOM 0 HD3 ARG A 16 -3.121 -6.583 -9.738 1.00 31.33 H new ATOM 0 HE ARG A 16 -2.254 -8.733 -11.422 1.00 34.53 H new ATOM 0 HH11 ARG A 16 -4.651 -7.896 -9.018 1.00 45.13 H new ATOM 0 HH12 ARG A 16 -5.788 -9.123 -9.587 1.00 45.13 H new ATOM 0 HH21 ARG A 16 -3.699 -10.260 -12.102 1.00 73.42 H new ATOM 0 HH22 ARG A 16 -5.261 -10.429 -11.293 1.00 73.42 H new ATOM 280 N LEU A 17 -2.852 -3.662 -7.205 1.00 12.45 N ATOM 281 CA LEU A 17 -3.826 -3.725 -6.103 1.00 34.31 C ATOM 282 C LEU A 17 -5.258 -3.907 -6.638 1.00 24.42 C ATOM 283 O LEU A 17 -5.839 -2.977 -7.204 1.00 32.03 O ATOM 284 CB LEU A 17 -3.752 -2.458 -5.231 1.00 11.52 C ATOM 285 CG LEU A 17 -2.651 -2.448 -4.154 1.00 22.40 C ATOM 286 CD1 LEU A 17 -2.838 -3.610 -3.178 1.00 72.32 C ATOM 287 CD2 LEU A 17 -1.263 -2.492 -4.785 1.00 12.03 C ATOM 0 H LEU A 17 -2.614 -2.716 -7.502 1.00 12.45 H new ATOM 0 HA LEU A 17 -3.571 -4.590 -5.490 1.00 34.31 H new ATOM 0 HB2 LEU A 17 -3.602 -1.598 -5.884 1.00 11.52 H new ATOM 0 HB3 LEU A 17 -4.715 -2.321 -4.740 1.00 11.52 H new ATOM 0 HG LEU A 17 -2.736 -1.515 -3.597 1.00 22.40 H new ATOM 0 HD11 LEU A 17 -2.050 -3.584 -2.426 1.00 72.32 H new ATOM 0 HD12 LEU A 17 -3.809 -3.522 -2.690 1.00 72.32 H new ATOM 0 HD13 LEU A 17 -2.789 -4.553 -3.722 1.00 72.32 H new ATOM 0 HD21 LEU A 17 -0.506 -2.484 -4.001 1.00 12.03 H new ATOM 0 HD22 LEU A 17 -1.161 -3.401 -5.378 1.00 12.03 H new ATOM 0 HD23 LEU A 17 -1.128 -1.622 -5.428 1.00 12.03 H new ATOM 299 N PRO A 18 -5.841 -5.112 -6.476 1.00 24.45 N ATOM 300 CA PRO A 18 -7.205 -5.400 -6.913 1.00 63.35 C ATOM 301 C PRO A 18 -8.253 -5.165 -5.806 1.00 70.11 C ATOM 302 O PRO A 18 -7.988 -5.416 -4.627 1.00 35.50 O ATOM 303 CB PRO A 18 -7.112 -6.886 -7.271 1.00 3.01 C ATOM 304 CG PRO A 18 -6.107 -7.451 -6.309 1.00 55.42 C ATOM 305 CD PRO A 18 -5.219 -6.301 -5.863 1.00 51.15 C ATOM 0 HA PRO A 18 -7.533 -4.754 -7.728 1.00 63.35 H new ATOM 0 HB2 PRO A 18 -8.079 -7.379 -7.168 1.00 3.01 H new ATOM 0 HB3 PRO A 18 -6.792 -7.025 -8.304 1.00 3.01 H new ATOM 0 HG2 PRO A 18 -6.606 -7.906 -5.454 1.00 55.42 H new ATOM 0 HG3 PRO A 18 -5.515 -8.232 -6.785 1.00 55.42 H new ATOM 0 HD2 PRO A 18 -5.187 -6.219 -4.777 1.00 51.15 H new ATOM 0 HD3 PRO A 18 -4.192 -6.434 -6.203 1.00 51.15 H new ATOM 313 N PRO A 19 -9.455 -4.673 -6.170 1.00 61.55 N ATOM 314 CA PRO A 19 -10.561 -4.488 -5.210 1.00 54.05 C ATOM 315 C PRO A 19 -10.951 -5.795 -4.494 1.00 22.05 C ATOM 316 O PRO A 19 -10.863 -6.882 -5.069 1.00 33.01 O ATOM 317 CB PRO A 19 -11.716 -3.983 -6.091 1.00 62.51 C ATOM 318 CG PRO A 19 -11.052 -3.395 -7.291 1.00 23.13 C ATOM 319 CD PRO A 19 -9.828 -4.237 -7.529 1.00 60.15 C ATOM 0 HA PRO A 19 -10.291 -3.804 -4.406 1.00 54.05 H new ATOM 0 HB2 PRO A 19 -12.386 -4.796 -6.369 1.00 62.51 H new ATOM 0 HB3 PRO A 19 -12.317 -3.239 -5.567 1.00 62.51 H new ATOM 0 HG2 PRO A 19 -11.716 -3.415 -8.155 1.00 23.13 H new ATOM 0 HG3 PRO A 19 -10.783 -2.353 -7.119 1.00 23.13 H new ATOM 0 HD2 PRO A 19 -10.042 -5.085 -8.180 1.00 60.15 H new ATOM 0 HD3 PRO A 19 -9.030 -3.665 -8.002 1.00 60.15 H new ATOM 327 N GLY A 20 -11.394 -5.685 -3.240 1.00 30.23 N ATOM 328 CA GLY A 20 -11.733 -6.876 -2.466 1.00 13.32 C ATOM 329 C GLY A 20 -11.809 -6.632 -0.962 1.00 41.40 C ATOM 330 O GLY A 20 -12.464 -7.380 -0.232 1.00 40.33 O ATOM 0 H GLY A 20 -11.524 -4.801 -2.748 1.00 30.23 H new ATOM 0 HA2 GLY A 20 -12.693 -7.261 -2.811 1.00 13.32 H new ATOM 0 HA3 GLY A 20 -10.990 -7.649 -2.662 1.00 13.32 H new ATOM 334 N LEU A 21 -11.145 -5.584 -0.497 1.00 45.14 N ATOM 335 CA LEU A 21 -11.121 -5.249 0.933 1.00 23.23 C ATOM 336 C LEU A 21 -11.041 -3.731 1.156 1.00 14.54 C ATOM 337 O LEU A 21 -10.786 -2.957 0.229 1.00 45.44 O ATOM 338 CB LEU A 21 -9.951 -5.953 1.655 1.00 1.11 C ATOM 339 CG LEU A 21 -8.526 -5.458 1.327 1.00 60.13 C ATOM 340 CD1 LEU A 21 -7.496 -6.199 2.179 1.00 55.10 C ATOM 341 CD2 LEU A 21 -8.204 -5.617 -0.160 1.00 4.13 C ATOM 0 H LEU A 21 -10.612 -4.944 -1.086 1.00 45.14 H new ATOM 0 HA LEU A 21 -12.058 -5.608 1.359 1.00 23.23 H new ATOM 0 HB2 LEU A 21 -10.106 -5.852 2.729 1.00 1.11 H new ATOM 0 HB3 LEU A 21 -10.002 -7.017 1.424 1.00 1.11 H new ATOM 0 HG LEU A 21 -8.481 -4.395 1.563 1.00 60.13 H new ATOM 0 HD11 LEU A 21 -6.496 -5.839 1.936 1.00 55.10 H new ATOM 0 HD12 LEU A 21 -7.700 -6.019 3.235 1.00 55.10 H new ATOM 0 HD13 LEU A 21 -7.556 -7.268 1.975 1.00 55.10 H new ATOM 0 HD21 LEU A 21 -7.193 -5.258 -0.354 1.00 4.13 H new ATOM 0 HD22 LEU A 21 -8.275 -6.669 -0.437 1.00 4.13 H new ATOM 0 HD23 LEU A 21 -8.914 -5.037 -0.750 1.00 4.13 H new ATOM 353 N THR A 22 -11.258 -3.318 2.398 1.00 4.25 N ATOM 354 CA THR A 22 -11.236 -1.903 2.773 1.00 52.33 C ATOM 355 C THR A 22 -9.887 -1.528 3.399 1.00 51.34 C ATOM 356 O THR A 22 -9.193 -2.382 3.959 1.00 70.22 O ATOM 357 CB THR A 22 -12.381 -1.575 3.771 1.00 35.13 C ATOM 358 OG1 THR A 22 -13.643 -1.958 3.208 1.00 64.34 O ATOM 359 CG2 THR A 22 -12.422 -0.089 4.118 1.00 51.41 C ATOM 0 H THR A 22 -11.454 -3.949 3.175 1.00 4.25 H new ATOM 0 HA THR A 22 -11.382 -1.319 1.865 1.00 52.33 H new ATOM 0 HB THR A 22 -12.188 -2.136 4.686 1.00 35.13 H new ATOM 0 HG1 THR A 22 -14.361 -1.750 3.842 1.00 64.34 H new ATOM 0 HG21 THR A 22 -13.236 0.099 4.818 1.00 51.41 H new ATOM 0 HG22 THR A 22 -11.476 0.204 4.574 1.00 51.41 H new ATOM 0 HG23 THR A 22 -12.583 0.492 3.210 1.00 51.41 H new ATOM 367 N LYS A 23 -9.524 -0.246 3.303 1.00 10.03 N ATOM 368 CA LYS A 23 -8.261 0.274 3.853 1.00 2.15 C ATOM 369 C LYS A 23 -7.977 -0.233 5.285 1.00 44.53 C ATOM 370 O LYS A 23 -6.820 -0.339 5.688 1.00 44.02 O ATOM 371 CB LYS A 23 -8.280 1.809 3.808 1.00 25.31 C ATOM 372 CG LYS A 23 -9.447 2.441 4.565 1.00 21.24 C ATOM 373 CD LYS A 23 -9.699 3.884 4.129 1.00 71.24 C ATOM 374 CE LYS A 23 -8.458 4.755 4.275 1.00 62.01 C ATOM 375 NZ LYS A 23 -8.705 6.153 3.831 1.00 14.32 N ATOM 0 H LYS A 23 -10.094 0.463 2.843 1.00 10.03 H new ATOM 0 HA LYS A 23 -7.448 -0.103 3.233 1.00 2.15 H new ATOM 0 HB2 LYS A 23 -7.345 2.186 4.223 1.00 25.31 H new ATOM 0 HB3 LYS A 23 -8.319 2.131 2.767 1.00 25.31 H new ATOM 0 HG2 LYS A 23 -10.348 1.850 4.401 1.00 21.24 H new ATOM 0 HG3 LYS A 23 -9.241 2.417 5.635 1.00 21.24 H new ATOM 0 HD2 LYS A 23 -10.028 3.895 3.090 1.00 71.24 H new ATOM 0 HD3 LYS A 23 -10.509 4.306 4.725 1.00 71.24 H new ATOM 0 HE2 LYS A 23 -8.136 4.757 5.316 1.00 62.01 H new ATOM 0 HE3 LYS A 23 -7.644 4.327 3.690 1.00 62.01 H new ATOM 0 HZ1 LYS A 23 -7.836 6.713 3.947 1.00 14.32 H new ATOM 0 HZ2 LYS A 23 -8.987 6.155 2.830 1.00 14.32 H new ATOM 0 HZ3 LYS A 23 -9.465 6.571 4.406 1.00 14.32 H new ATOM 389 N GLU A 24 -9.036 -0.573 6.026 1.00 52.44 N ATOM 390 CA GLU A 24 -8.914 -1.116 7.392 1.00 11.12 C ATOM 391 C GLU A 24 -7.923 -2.297 7.468 1.00 54.30 C ATOM 392 O GLU A 24 -6.924 -2.241 8.188 1.00 24.40 O ATOM 393 CB GLU A 24 -10.289 -1.586 7.895 1.00 61.21 C ATOM 394 CG GLU A 24 -11.382 -0.527 7.811 1.00 72.13 C ATOM 395 CD GLU A 24 -12.737 -1.059 8.252 1.00 53.03 C ATOM 396 OE1 GLU A 24 -13.354 -1.839 7.493 1.00 44.12 O ATOM 397 OE2 GLU A 24 -13.190 -0.706 9.362 1.00 42.12 O ATOM 0 H GLU A 24 -9.999 -0.482 5.703 1.00 52.44 H new ATOM 0 HA GLU A 24 -8.531 -0.312 8.021 1.00 11.12 H new ATOM 0 HB2 GLU A 24 -10.597 -2.456 7.316 1.00 61.21 H new ATOM 0 HB3 GLU A 24 -10.193 -1.911 8.931 1.00 61.21 H new ATOM 0 HG2 GLU A 24 -11.108 0.324 8.434 1.00 72.13 H new ATOM 0 HG3 GLU A 24 -11.453 -0.162 6.786 1.00 72.13 H new ATOM 404 N GLN A 25 -8.212 -3.371 6.730 1.00 73.32 N ATOM 405 CA GLN A 25 -7.350 -4.565 6.717 1.00 22.34 C ATOM 406 C GLN A 25 -6.306 -4.477 5.597 1.00 72.33 C ATOM 407 O GLN A 25 -5.435 -5.333 5.469 1.00 54.43 O ATOM 408 CB GLN A 25 -8.194 -5.829 6.509 1.00 31.11 C ATOM 409 CG GLN A 25 -9.368 -5.966 7.468 1.00 61.12 C ATOM 410 CD GLN A 25 -10.128 -7.269 7.272 1.00 74.12 C ATOM 411 OE1 GLN A 25 -9.835 -8.277 7.906 1.00 65.42 O ATOM 412 NE2 GLN A 25 -11.094 -7.267 6.377 1.00 2.22 N ATOM 0 H GLN A 25 -9.035 -3.443 6.132 1.00 73.32 H new ATOM 0 HA GLN A 25 -6.840 -4.615 7.679 1.00 22.34 H new ATOM 0 HB2 GLN A 25 -8.573 -5.834 5.487 1.00 31.11 H new ATOM 0 HB3 GLN A 25 -7.550 -6.702 6.615 1.00 31.11 H new ATOM 0 HG2 GLN A 25 -9.004 -5.912 8.494 1.00 61.12 H new ATOM 0 HG3 GLN A 25 -10.049 -5.127 7.327 1.00 61.12 H new ATOM 0 HE21 GLN A 25 -11.314 -6.412 5.866 1.00 2.22 H new ATOM 0 HE22 GLN A 25 -11.622 -8.120 6.195 1.00 2.22 H new ATOM 421 N LEU A 26 -6.418 -3.444 4.781 1.00 64.52 N ATOM 422 CA LEU A 26 -5.535 -3.263 3.631 1.00 21.40 C ATOM 423 C LEU A 26 -4.238 -2.517 4.004 1.00 61.14 C ATOM 424 O LEU A 26 -3.160 -2.858 3.516 1.00 73.11 O ATOM 425 CB LEU A 26 -6.307 -2.523 2.528 1.00 3.22 C ATOM 426 CG LEU A 26 -5.477 -1.988 1.350 1.00 4.24 C ATOM 427 CD1 LEU A 26 -4.944 -3.139 0.496 1.00 34.40 C ATOM 428 CD2 LEU A 26 -6.305 -1.019 0.509 1.00 54.14 C ATOM 0 H LEU A 26 -7.117 -2.709 4.891 1.00 64.52 H new ATOM 0 HA LEU A 26 -5.225 -4.243 3.269 1.00 21.40 H new ATOM 0 HB2 LEU A 26 -7.066 -3.197 2.132 1.00 3.22 H new ATOM 0 HB3 LEU A 26 -6.833 -1.684 2.984 1.00 3.22 H new ATOM 0 HG LEU A 26 -4.621 -1.444 1.750 1.00 4.24 H new ATOM 0 HD11 LEU A 26 -4.360 -2.737 -0.332 1.00 34.40 H new ATOM 0 HD12 LEU A 26 -4.312 -3.783 1.107 1.00 34.40 H new ATOM 0 HD13 LEU A 26 -5.780 -3.718 0.103 1.00 34.40 H new ATOM 0 HD21 LEU A 26 -5.702 -0.650 -0.320 1.00 54.14 H new ATOM 0 HD22 LEU A 26 -7.182 -1.534 0.118 1.00 54.14 H new ATOM 0 HD23 LEU A 26 -6.623 -0.180 1.128 1.00 54.14 H new ATOM 440 N GLU A 27 -4.336 -1.517 4.883 1.00 75.13 N ATOM 441 CA GLU A 27 -3.172 -0.693 5.253 1.00 72.53 C ATOM 442 C GLU A 27 -2.155 -1.465 6.115 1.00 4.32 C ATOM 443 O GLU A 27 -0.953 -1.194 6.060 1.00 11.31 O ATOM 444 CB GLU A 27 -3.622 0.567 6.011 1.00 21.41 C ATOM 445 CG GLU A 27 -4.232 0.278 7.381 1.00 2.33 C ATOM 446 CD GLU A 27 -4.534 1.543 8.171 1.00 20.55 C ATOM 447 OE1 GLU A 27 -3.596 2.107 8.775 1.00 12.54 O ATOM 448 OE2 GLU A 27 -5.703 1.975 8.200 1.00 21.12 O ATOM 0 H GLU A 27 -5.203 -1.255 5.352 1.00 75.13 H new ATOM 0 HA GLU A 27 -2.681 -0.413 4.321 1.00 72.53 H new ATOM 0 HB2 GLU A 27 -2.765 1.229 6.138 1.00 21.41 H new ATOM 0 HB3 GLU A 27 -4.352 1.103 5.405 1.00 21.41 H new ATOM 0 HG2 GLU A 27 -5.152 -0.292 7.251 1.00 2.33 H new ATOM 0 HG3 GLU A 27 -3.548 -0.348 7.954 1.00 2.33 H new ATOM 455 N GLU A 28 -2.638 -2.434 6.894 1.00 2.14 N ATOM 456 CA GLU A 28 -1.802 -3.136 7.882 1.00 64.11 C ATOM 457 C GLU A 28 -0.530 -3.760 7.272 1.00 61.30 C ATOM 458 O GLU A 28 0.497 -3.865 7.947 1.00 14.21 O ATOM 459 CB GLU A 28 -2.630 -4.202 8.616 1.00 54.13 C ATOM 460 CG GLU A 28 -3.250 -5.259 7.709 1.00 33.42 C ATOM 461 CD GLU A 28 -4.073 -6.279 8.484 1.00 41.24 C ATOM 462 OE1 GLU A 28 -5.170 -5.922 8.959 1.00 63.12 O ATOM 463 OE2 GLU A 28 -3.620 -7.438 8.634 1.00 13.44 O ATOM 0 H GLU A 28 -3.606 -2.755 6.863 1.00 2.14 H new ATOM 0 HA GLU A 28 -1.461 -2.384 8.594 1.00 64.11 H new ATOM 0 HB2 GLU A 28 -1.992 -4.698 9.348 1.00 54.13 H new ATOM 0 HB3 GLU A 28 -3.426 -3.706 9.171 1.00 54.13 H new ATOM 0 HG2 GLU A 28 -3.884 -4.772 6.969 1.00 33.42 H new ATOM 0 HG3 GLU A 28 -2.460 -5.774 7.162 1.00 33.42 H new ATOM 470 N GLN A 29 -0.592 -4.173 6.005 1.00 3.33 N ATOM 471 CA GLN A 29 0.591 -4.721 5.316 1.00 43.21 C ATOM 472 C GLN A 29 1.241 -3.704 4.359 1.00 44.25 C ATOM 473 O GLN A 29 2.312 -3.959 3.815 1.00 75.24 O ATOM 474 CB GLN A 29 0.238 -5.999 4.536 1.00 44.40 C ATOM 475 CG GLN A 29 -0.933 -5.847 3.560 1.00 63.41 C ATOM 476 CD GLN A 29 -2.266 -6.251 4.168 1.00 1.31 C ATOM 477 OE1 GLN A 29 -2.333 -7.124 5.023 1.00 20.02 O ATOM 478 NE2 GLN A 29 -3.336 -5.621 3.733 1.00 44.31 N ATOM 0 H GLN A 29 -1.437 -4.142 5.435 1.00 3.33 H new ATOM 0 HA GLN A 29 1.312 -4.959 6.098 1.00 43.21 H new ATOM 0 HB2 GLN A 29 1.117 -6.324 3.980 1.00 44.40 H new ATOM 0 HB3 GLN A 29 0.000 -6.790 5.248 1.00 44.40 H new ATOM 0 HG2 GLN A 29 -0.990 -4.810 3.228 1.00 63.41 H new ATOM 0 HG3 GLN A 29 -0.744 -6.455 2.676 1.00 63.41 H new ATOM 0 HE21 GLN A 29 -3.247 -4.898 3.019 1.00 44.31 H new ATOM 0 HE22 GLN A 29 -4.254 -5.856 4.110 1.00 44.31 H new ATOM 487 N LEU A 30 0.599 -2.554 4.157 1.00 33.34 N ATOM 488 CA LEU A 30 1.117 -1.539 3.226 1.00 35.43 C ATOM 489 C LEU A 30 1.932 -0.449 3.942 1.00 13.41 C ATOM 490 O LEU A 30 2.681 0.289 3.305 1.00 11.31 O ATOM 491 CB LEU A 30 -0.031 -0.892 2.435 1.00 51.45 C ATOM 492 CG LEU A 30 -0.878 -1.859 1.592 1.00 65.01 C ATOM 493 CD1 LEU A 30 -1.875 -1.095 0.729 1.00 31.21 C ATOM 494 CD2 LEU A 30 0.008 -2.753 0.731 1.00 4.53 C ATOM 0 H LEU A 30 -0.274 -2.298 4.619 1.00 33.34 H new ATOM 0 HA LEU A 30 1.787 -2.057 2.539 1.00 35.43 H new ATOM 0 HB2 LEU A 30 -0.688 -0.377 3.136 1.00 51.45 H new ATOM 0 HB3 LEU A 30 0.388 -0.133 1.775 1.00 51.45 H new ATOM 0 HG LEU A 30 -1.438 -2.497 2.275 1.00 65.01 H new ATOM 0 HD11 LEU A 30 -2.463 -1.800 0.141 1.00 31.21 H new ATOM 0 HD12 LEU A 30 -2.539 -0.513 1.368 1.00 31.21 H new ATOM 0 HD13 LEU A 30 -1.337 -0.424 0.059 1.00 31.21 H new ATOM 0 HD21 LEU A 30 -0.616 -3.427 0.145 1.00 4.53 H new ATOM 0 HD22 LEU A 30 0.605 -2.136 0.060 1.00 4.53 H new ATOM 0 HD23 LEU A 30 0.669 -3.336 1.372 1.00 4.53 H new ATOM 506 N ARG A 31 1.790 -0.334 5.266 1.00 33.14 N ATOM 507 CA ARG A 31 2.548 0.680 6.019 1.00 41.44 C ATOM 508 C ARG A 31 3.172 0.152 7.339 1.00 12.35 C ATOM 509 O ARG A 31 3.278 0.904 8.304 1.00 70.34 O ATOM 510 CB ARG A 31 1.641 1.903 6.288 1.00 32.53 C ATOM 511 CG ARG A 31 0.286 1.594 6.946 1.00 55.21 C ATOM 512 CD ARG A 31 0.397 1.365 8.453 1.00 22.32 C ATOM 513 NE ARG A 31 -0.909 1.171 9.080 1.00 73.10 N ATOM 514 CZ ARG A 31 -1.084 0.664 10.271 1.00 41.22 C ATOM 515 NH1 ARG A 31 -0.071 0.316 10.998 1.00 63.01 N ATOM 516 NH2 ARG A 31 -2.280 0.531 10.742 1.00 34.20 N ATOM 0 H ARG A 31 1.172 -0.915 5.832 1.00 33.14 H new ATOM 0 HA ARG A 31 3.396 0.968 5.397 1.00 41.44 H new ATOM 0 HB2 ARG A 31 2.183 2.602 6.925 1.00 32.53 H new ATOM 0 HB3 ARG A 31 1.457 2.412 5.342 1.00 32.53 H new ATOM 0 HG2 ARG A 31 -0.400 2.420 6.758 1.00 55.21 H new ATOM 0 HG3 ARG A 31 -0.146 0.708 6.480 1.00 55.21 H new ATOM 0 HD2 ARG A 31 1.022 0.492 8.641 1.00 22.32 H new ATOM 0 HD3 ARG A 31 0.896 2.218 8.913 1.00 22.32 H new ATOM 0 HE ARG A 31 -1.737 1.449 8.554 1.00 73.10 H new ATOM 0 HH11 ARG A 31 0.877 0.437 10.642 1.00 63.01 H new ATOM 0 HH12 ARG A 31 -0.221 -0.079 11.926 1.00 63.01 H new ATOM 0 HH21 ARG A 31 -3.083 0.821 10.184 1.00 34.20 H new ATOM 0 HH22 ARG A 31 -2.421 0.136 11.672 1.00 34.20 H new ATOM 530 N PRO A 32 3.676 -1.109 7.392 1.00 11.41 N ATOM 531 CA PRO A 32 4.202 -1.702 8.640 1.00 2.21 C ATOM 532 C PRO A 32 5.672 -1.329 8.927 1.00 31.44 C ATOM 533 O PRO A 32 6.421 -2.111 9.515 1.00 33.24 O ATOM 534 CB PRO A 32 4.070 -3.201 8.357 1.00 24.54 C ATOM 535 CG PRO A 32 4.343 -3.319 6.894 1.00 3.13 C ATOM 536 CD PRO A 32 3.808 -2.054 6.258 1.00 41.52 C ATOM 0 HA PRO A 32 3.668 -1.350 9.522 1.00 2.21 H new ATOM 0 HB2 PRO A 32 4.782 -3.782 8.944 1.00 24.54 H new ATOM 0 HB3 PRO A 32 3.075 -3.568 8.608 1.00 24.54 H new ATOM 0 HG2 PRO A 32 5.411 -3.427 6.705 1.00 3.13 H new ATOM 0 HG3 PRO A 32 3.855 -4.200 6.477 1.00 3.13 H new ATOM 0 HD2 PRO A 32 4.488 -1.672 5.497 1.00 41.52 H new ATOM 0 HD3 PRO A 32 2.849 -2.228 5.770 1.00 41.52 H new ATOM 544 N LEU A 33 6.070 -0.117 8.537 1.00 3.53 N ATOM 545 CA LEU A 33 7.460 0.339 8.687 1.00 32.15 C ATOM 546 C LEU A 33 7.751 0.831 10.120 1.00 50.12 C ATOM 547 O LEU A 33 6.841 1.260 10.834 1.00 21.03 O ATOM 548 CB LEU A 33 7.773 1.459 7.676 1.00 5.40 C ATOM 549 CG LEU A 33 7.820 1.053 6.190 1.00 34.31 C ATOM 550 CD1 LEU A 33 6.450 0.602 5.683 1.00 45.24 C ATOM 551 CD2 LEU A 33 8.353 2.208 5.346 1.00 4.43 C ATOM 0 H LEU A 33 5.449 0.572 8.113 1.00 3.53 H new ATOM 0 HA LEU A 33 8.104 -0.517 8.488 1.00 32.15 H new ATOM 0 HB2 LEU A 33 7.024 2.242 7.792 1.00 5.40 H new ATOM 0 HB3 LEU A 33 8.735 1.897 7.940 1.00 5.40 H new ATOM 0 HG LEU A 33 8.497 0.204 6.097 1.00 34.31 H new ATOM 0 HD11 LEU A 33 6.525 0.324 4.632 1.00 45.24 H new ATOM 0 HD12 LEU A 33 6.112 -0.257 6.262 1.00 45.24 H new ATOM 0 HD13 LEU A 33 5.735 1.417 5.793 1.00 45.24 H new ATOM 0 HD21 LEU A 33 8.382 1.910 4.298 1.00 4.43 H new ATOM 0 HD22 LEU A 33 7.700 3.073 5.459 1.00 4.43 H new ATOM 0 HD23 LEU A 33 9.359 2.467 5.677 1.00 4.43 H new ATOM 563 N PRO A 34 9.033 0.794 10.549 1.00 62.42 N ATOM 564 CA PRO A 34 9.437 1.197 11.913 1.00 4.41 C ATOM 565 C PRO A 34 9.027 2.638 12.272 1.00 3.43 C ATOM 566 O PRO A 34 8.417 2.881 13.316 1.00 54.30 O ATOM 567 CB PRO A 34 10.969 1.071 11.883 1.00 3.21 C ATOM 568 CG PRO A 34 11.257 0.118 10.771 1.00 21.25 C ATOM 569 CD PRO A 34 10.189 0.355 9.742 1.00 13.33 C ATOM 0 HA PRO A 34 8.951 0.579 12.668 1.00 4.41 H new ATOM 0 HB2 PRO A 34 11.441 2.038 11.707 1.00 3.21 H new ATOM 0 HB3 PRO A 34 11.353 0.697 12.832 1.00 3.21 H new ATOM 0 HG2 PRO A 34 12.248 0.293 10.353 1.00 21.25 H new ATOM 0 HG3 PRO A 34 11.237 -0.913 11.125 1.00 21.25 H new ATOM 0 HD2 PRO A 34 10.487 1.115 9.020 1.00 13.33 H new ATOM 0 HD3 PRO A 34 9.965 -0.551 9.178 1.00 13.33 H new ATOM 577 N ALA A 35 9.376 3.586 11.407 1.00 71.00 N ATOM 578 CA ALA A 35 9.034 5.001 11.613 1.00 10.23 C ATOM 579 C ALA A 35 8.941 5.739 10.271 1.00 12.12 C ATOM 580 O ALA A 35 9.930 5.844 9.547 1.00 63.12 O ATOM 581 CB ALA A 35 10.062 5.672 12.519 1.00 0.43 C ATOM 0 H ALA A 35 9.899 3.404 10.550 1.00 71.00 H new ATOM 0 HA ALA A 35 8.059 5.049 12.098 1.00 10.23 H new ATOM 0 HB1 ALA A 35 9.794 6.719 12.661 1.00 0.43 H new ATOM 0 HB2 ALA A 35 10.080 5.168 13.485 1.00 0.43 H new ATOM 0 HB3 ALA A 35 11.048 5.609 12.059 1.00 0.43 H new ATOM 587 N HIS A 36 7.757 6.251 9.939 1.00 32.42 N ATOM 588 CA HIS A 36 7.535 6.869 8.627 1.00 54.12 C ATOM 589 C HIS A 36 6.170 7.564 8.535 1.00 43.14 C ATOM 590 O HIS A 36 5.426 7.654 9.507 1.00 52.22 O ATOM 591 CB HIS A 36 7.603 5.792 7.535 1.00 12.21 C ATOM 592 CG HIS A 36 6.431 4.853 7.575 1.00 71.34 C ATOM 593 ND1 HIS A 36 5.571 4.671 6.513 1.00 15.52 N ATOM 594 CD2 HIS A 36 5.971 4.052 8.567 1.00 70.32 C ATOM 595 CE1 HIS A 36 4.637 3.805 6.851 1.00 51.32 C ATOM 596 NE2 HIS A 36 4.856 3.412 8.090 1.00 54.10 N ATOM 0 H HIS A 36 6.942 6.252 10.552 1.00 32.42 H new ATOM 0 HA HIS A 36 8.313 7.620 8.489 1.00 54.12 H new ATOM 0 HB2 HIS A 36 7.645 6.273 6.558 1.00 12.21 H new ATOM 0 HB3 HIS A 36 8.525 5.222 7.649 1.00 12.21 H new ATOM 0 HD1 HIS A 36 5.646 5.134 5.607 1.00 15.52 H new ATOM 0 HD2 HIS A 36 6.403 3.939 9.551 1.00 70.32 H new ATOM 0 HE1 HIS A 36 3.827 3.473 6.218 1.00 51.32 H new ATOM 0 HE2 HIS A 36 4.289 2.742 8.609 1.00 54.10 H new ATOM 605 N ASP A 37 5.857 8.034 7.335 1.00 55.41 N ATOM 606 CA ASP A 37 4.532 8.551 7.007 1.00 1.42 C ATOM 607 C ASP A 37 3.803 7.550 6.085 1.00 61.11 C ATOM 608 O ASP A 37 4.444 6.831 5.316 1.00 72.42 O ATOM 609 CB ASP A 37 4.686 9.915 6.323 1.00 12.43 C ATOM 610 CG ASP A 37 3.357 10.552 5.975 1.00 13.20 C ATOM 611 OD1 ASP A 37 2.793 11.268 6.827 1.00 54.00 O ATOM 612 OD2 ASP A 37 2.873 10.342 4.847 1.00 63.43 O ATOM 0 H ASP A 37 6.516 8.068 6.558 1.00 55.41 H new ATOM 0 HA ASP A 37 3.939 8.676 7.913 1.00 1.42 H new ATOM 0 HB2 ASP A 37 5.243 10.584 6.979 1.00 12.43 H new ATOM 0 HB3 ASP A 37 5.275 9.796 5.414 1.00 12.43 H new ATOM 617 N TYR A 38 2.475 7.475 6.179 1.00 2.44 N ATOM 618 CA TYR A 38 1.693 6.575 5.316 1.00 22.14 C ATOM 619 C TYR A 38 0.840 7.350 4.297 1.00 52.20 C ATOM 620 O TYR A 38 0.287 8.412 4.598 1.00 61.00 O ATOM 621 CB TYR A 38 0.824 5.620 6.155 1.00 54.23 C ATOM 622 CG TYR A 38 0.170 6.249 7.374 1.00 4.34 C ATOM 623 CD1 TYR A 38 -1.028 6.949 7.274 1.00 25.21 C ATOM 624 CD2 TYR A 38 0.753 6.128 8.633 1.00 3.23 C ATOM 625 CE1 TYR A 38 -1.623 7.508 8.389 1.00 72.43 C ATOM 626 CE2 TYR A 38 0.163 6.685 9.749 1.00 24.34 C ATOM 627 CZ TYR A 38 -1.022 7.372 9.624 1.00 33.13 C ATOM 628 OH TYR A 38 -1.613 7.924 10.739 1.00 12.10 O ATOM 0 H TYR A 38 1.918 8.020 6.837 1.00 2.44 H new ATOM 0 HA TYR A 38 2.405 5.975 4.748 1.00 22.14 H new ATOM 0 HB2 TYR A 38 0.044 5.207 5.516 1.00 54.23 H new ATOM 0 HB3 TYR A 38 1.442 4.785 6.484 1.00 54.23 H new ATOM 0 HD1 TYR A 38 -1.501 7.057 6.309 1.00 25.21 H new ATOM 0 HD2 TYR A 38 1.683 5.589 8.738 1.00 3.23 H new ATOM 0 HE1 TYR A 38 -2.553 8.048 8.295 1.00 72.43 H new ATOM 0 HE2 TYR A 38 0.630 6.582 10.717 1.00 24.34 H new ATOM 0 HH TYR A 38 -1.062 7.736 11.528 1.00 12.10 H new ATOM 638 N PHE A 39 0.744 6.797 3.087 1.00 21.41 N ATOM 639 CA PHE A 39 0.082 7.464 1.959 1.00 30.02 C ATOM 640 C PHE A 39 -1.428 7.155 1.915 1.00 52.40 C ATOM 641 O PHE A 39 -2.036 6.800 2.927 1.00 14.23 O ATOM 642 CB PHE A 39 0.758 7.026 0.644 1.00 54.34 C ATOM 643 CG PHE A 39 1.185 8.169 -0.249 1.00 23.13 C ATOM 644 CD1 PHE A 39 0.305 9.196 -0.563 1.00 63.53 C ATOM 645 CD2 PHE A 39 2.466 8.206 -0.783 1.00 11.41 C ATOM 646 CE1 PHE A 39 0.696 10.234 -1.385 1.00 43.45 C ATOM 647 CE2 PHE A 39 2.859 9.242 -1.605 1.00 63.31 C ATOM 648 CZ PHE A 39 1.974 10.257 -1.907 1.00 62.13 C ATOM 0 H PHE A 39 1.121 5.877 2.859 1.00 21.41 H new ATOM 0 HA PHE A 39 0.185 8.541 2.089 1.00 30.02 H new ATOM 0 HB2 PHE A 39 1.633 6.421 0.883 1.00 54.34 H new ATOM 0 HB3 PHE A 39 0.070 6.386 0.091 1.00 54.34 H new ATOM 0 HD1 PHE A 39 -0.697 9.183 -0.160 1.00 63.53 H new ATOM 0 HD2 PHE A 39 3.163 7.414 -0.552 1.00 11.41 H new ATOM 0 HE1 PHE A 39 0.002 11.028 -1.620 1.00 43.45 H new ATOM 0 HE2 PHE A 39 3.859 9.259 -2.012 1.00 63.31 H new ATOM 0 HZ PHE A 39 2.281 11.068 -2.551 1.00 62.13 H new ATOM 658 N GLU A 40 -2.030 7.320 0.736 1.00 51.31 N ATOM 659 CA GLU A 40 -3.465 7.088 0.545 1.00 2.01 C ATOM 660 C GLU A 40 -3.774 5.623 0.189 1.00 3.35 C ATOM 661 O GLU A 40 -3.017 4.965 -0.532 1.00 65.53 O ATOM 662 CB GLU A 40 -4.001 8.020 -0.553 1.00 51.20 C ATOM 663 CG GLU A 40 -3.236 7.923 -1.873 1.00 11.31 C ATOM 664 CD GLU A 40 -3.771 8.867 -2.938 1.00 62.21 C ATOM 665 OE1 GLU A 40 -3.595 10.098 -2.791 1.00 43.22 O ATOM 666 OE2 GLU A 40 -4.368 8.388 -3.926 1.00 3.24 O ATOM 0 H GLU A 40 -1.542 7.616 -0.109 1.00 51.31 H new ATOM 0 HA GLU A 40 -3.962 7.305 1.490 1.00 2.01 H new ATOM 0 HB2 GLU A 40 -5.050 7.787 -0.734 1.00 51.20 H new ATOM 0 HB3 GLU A 40 -3.960 9.049 -0.195 1.00 51.20 H new ATOM 0 HG2 GLU A 40 -2.184 8.144 -1.694 1.00 11.31 H new ATOM 0 HG3 GLU A 40 -3.288 6.899 -2.243 1.00 11.31 H new ATOM 673 N PHE A 41 -4.898 5.125 0.699 1.00 40.31 N ATOM 674 CA PHE A 41 -5.356 3.758 0.422 1.00 4.25 C ATOM 675 C PHE A 41 -6.765 3.779 -0.193 1.00 32.25 C ATOM 676 O PHE A 41 -7.480 4.776 -0.083 1.00 0.14 O ATOM 677 CB PHE A 41 -5.359 2.924 1.715 1.00 10.33 C ATOM 678 CG PHE A 41 -4.053 2.975 2.474 1.00 32.24 C ATOM 679 CD1 PHE A 41 -2.965 2.216 2.065 1.00 52.21 C ATOM 680 CD2 PHE A 41 -3.914 3.785 3.593 1.00 53.45 C ATOM 681 CE1 PHE A 41 -1.769 2.265 2.754 1.00 1.22 C ATOM 682 CE2 PHE A 41 -2.720 3.835 4.286 1.00 32.11 C ATOM 683 CZ PHE A 41 -1.647 3.075 3.866 1.00 65.04 C ATOM 0 H PHE A 41 -5.518 5.652 1.314 1.00 40.31 H new ATOM 0 HA PHE A 41 -4.669 3.302 -0.291 1.00 4.25 H new ATOM 0 HB2 PHE A 41 -6.160 3.279 2.364 1.00 10.33 H new ATOM 0 HB3 PHE A 41 -5.585 1.887 1.467 1.00 10.33 H new ATOM 0 HD1 PHE A 41 -3.055 1.579 1.197 1.00 52.21 H new ATOM 0 HD2 PHE A 41 -4.749 4.383 3.926 1.00 53.45 H new ATOM 0 HE1 PHE A 41 -0.930 1.671 2.424 1.00 1.22 H new ATOM 0 HE2 PHE A 41 -2.626 4.468 5.156 1.00 32.11 H new ATOM 0 HZ PHE A 41 -0.713 3.114 4.407 1.00 65.04 H new ATOM 693 N PHE A 42 -7.167 2.683 -0.840 1.00 14.33 N ATOM 694 CA PHE A 42 -8.498 2.609 -1.466 1.00 3.34 C ATOM 695 C PHE A 42 -9.485 1.794 -0.612 1.00 4.12 C ATOM 696 O PHE A 42 -9.085 1.002 0.244 1.00 62.53 O ATOM 697 CB PHE A 42 -8.404 2.013 -2.883 1.00 5.55 C ATOM 698 CG PHE A 42 -8.018 0.550 -2.935 1.00 53.42 C ATOM 699 CD1 PHE A 42 -6.686 0.166 -2.903 1.00 21.10 C ATOM 700 CD2 PHE A 42 -8.992 -0.437 -3.027 1.00 64.12 C ATOM 701 CE1 PHE A 42 -6.331 -1.169 -2.960 1.00 72.40 C ATOM 702 CE2 PHE A 42 -8.642 -1.773 -3.085 1.00 21.02 C ATOM 703 CZ PHE A 42 -7.311 -2.140 -3.052 1.00 30.22 C ATOM 0 H PHE A 42 -6.601 1.841 -0.946 1.00 14.33 H new ATOM 0 HA PHE A 42 -8.878 3.628 -1.537 1.00 3.34 H new ATOM 0 HB2 PHE A 42 -9.367 2.137 -3.378 1.00 5.55 H new ATOM 0 HB3 PHE A 42 -7.675 2.587 -3.455 1.00 5.55 H new ATOM 0 HD1 PHE A 42 -5.916 0.920 -2.833 1.00 21.10 H new ATOM 0 HD2 PHE A 42 -10.035 -0.157 -3.053 1.00 64.12 H new ATOM 0 HE1 PHE A 42 -5.289 -1.453 -2.933 1.00 72.40 H new ATOM 0 HE2 PHE A 42 -9.409 -2.530 -3.156 1.00 21.02 H new ATOM 0 HZ PHE A 42 -7.036 -3.183 -3.098 1.00 30.22 H new ATOM 713 N ALA A 43 -10.776 2.005 -0.846 1.00 2.52 N ATOM 714 CA ALA A 43 -11.829 1.251 -0.160 1.00 70.52 C ATOM 715 C ALA A 43 -12.845 0.690 -1.166 1.00 24.11 C ATOM 716 O ALA A 43 -13.805 1.367 -1.552 1.00 32.51 O ATOM 717 CB ALA A 43 -12.525 2.131 0.873 1.00 35.23 C ATOM 0 H ALA A 43 -11.124 2.697 -1.510 1.00 2.52 H new ATOM 0 HA ALA A 43 -11.366 0.410 0.356 1.00 70.52 H new ATOM 0 HB1 ALA A 43 -13.304 1.557 1.374 1.00 35.23 H new ATOM 0 HB2 ALA A 43 -11.797 2.474 1.608 1.00 35.23 H new ATOM 0 HB3 ALA A 43 -12.971 2.992 0.376 1.00 35.23 H new ATOM 723 N ALA A 44 -12.613 -0.545 -1.607 1.00 53.52 N ATOM 724 CA ALA A 44 -13.482 -1.197 -2.593 1.00 44.11 C ATOM 725 C ALA A 44 -13.726 -2.666 -2.227 1.00 61.21 C ATOM 726 O ALA A 44 -12.787 -3.464 -2.150 1.00 14.40 O ATOM 727 CB ALA A 44 -12.873 -1.088 -3.987 1.00 35.22 C ATOM 0 H ALA A 44 -11.828 -1.118 -1.298 1.00 53.52 H new ATOM 0 HA ALA A 44 -14.445 -0.686 -2.589 1.00 44.11 H new ATOM 0 HB1 ALA A 44 -13.528 -1.576 -4.709 1.00 35.22 H new ATOM 0 HB2 ALA A 44 -12.758 -0.037 -4.253 1.00 35.22 H new ATOM 0 HB3 ALA A 44 -11.897 -1.573 -3.997 1.00 35.22 H new ATOM 733 N ASP A 45 -14.995 -3.016 -2.014 1.00 2.41 N ATOM 734 CA ASP A 45 -15.373 -4.363 -1.577 1.00 64.54 C ATOM 735 C ASP A 45 -15.307 -5.393 -2.722 1.00 44.20 C ATOM 736 O ASP A 45 -15.263 -5.038 -3.902 1.00 52.41 O ATOM 737 CB ASP A 45 -16.784 -4.333 -0.980 1.00 43.31 C ATOM 738 CG ASP A 45 -17.811 -3.811 -1.968 1.00 13.54 C ATOM 739 OD1 ASP A 45 -18.355 -4.619 -2.745 1.00 42.44 O ATOM 740 OD2 ASP A 45 -18.068 -2.585 -1.979 1.00 4.50 O ATOM 0 H ASP A 45 -15.784 -2.382 -2.138 1.00 2.41 H new ATOM 0 HA ASP A 45 -14.653 -4.677 -0.821 1.00 64.54 H new ATOM 0 HB2 ASP A 45 -17.064 -5.337 -0.663 1.00 43.31 H new ATOM 0 HB3 ASP A 45 -16.787 -3.705 -0.089 1.00 43.31 H new ATOM 745 N LEU A 46 -15.324 -6.674 -2.357 1.00 70.05 N ATOM 746 CA LEU A 46 -15.269 -7.770 -3.336 1.00 4.34 C ATOM 747 C LEU A 46 -16.676 -8.186 -3.814 1.00 15.22 C ATOM 748 O LEU A 46 -16.841 -9.188 -4.518 1.00 21.15 O ATOM 749 CB LEU A 46 -14.500 -8.962 -2.728 1.00 32.12 C ATOM 750 CG LEU A 46 -15.008 -9.484 -1.364 1.00 25.15 C ATOM 751 CD1 LEU A 46 -16.269 -10.334 -1.512 1.00 25.30 C ATOM 752 CD2 LEU A 46 -13.908 -10.270 -0.648 1.00 52.32 C ATOM 0 H LEU A 46 -15.376 -6.984 -1.387 1.00 70.05 H new ATOM 0 HA LEU A 46 -14.737 -7.420 -4.221 1.00 4.34 H new ATOM 0 HB2 LEU A 46 -14.528 -9.786 -3.441 1.00 32.12 H new ATOM 0 HB3 LEU A 46 -13.455 -8.673 -2.616 1.00 32.12 H new ATOM 0 HG LEU A 46 -15.271 -8.616 -0.759 1.00 25.15 H new ATOM 0 HD11 LEU A 46 -16.592 -10.680 -0.530 1.00 25.30 H new ATOM 0 HD12 LEU A 46 -17.060 -9.736 -1.964 1.00 25.30 H new ATOM 0 HD13 LEU A 46 -16.056 -11.193 -2.148 1.00 25.30 H new ATOM 0 HD21 LEU A 46 -14.283 -10.630 0.310 1.00 52.32 H new ATOM 0 HD22 LEU A 46 -13.609 -11.119 -1.263 1.00 52.32 H new ATOM 0 HD23 LEU A 46 -13.048 -9.622 -0.481 1.00 52.32 H new ATOM 764 N SER A 47 -17.687 -7.408 -3.435 1.00 41.42 N ATOM 765 CA SER A 47 -19.075 -7.679 -3.834 1.00 65.05 C ATOM 766 C SER A 47 -19.441 -6.886 -5.096 1.00 52.42 C ATOM 767 O SER A 47 -20.395 -7.217 -5.805 1.00 40.21 O ATOM 768 CB SER A 47 -20.035 -7.307 -2.697 1.00 31.14 C ATOM 769 OG SER A 47 -19.637 -7.902 -1.471 1.00 35.25 O ATOM 0 H SER A 47 -17.575 -6.580 -2.850 1.00 41.42 H new ATOM 0 HA SER A 47 -19.166 -8.744 -4.049 1.00 65.05 H new ATOM 0 HB2 SER A 47 -20.066 -6.223 -2.585 1.00 31.14 H new ATOM 0 HB3 SER A 47 -21.045 -7.631 -2.950 1.00 31.14 H new ATOM 0 HG SER A 47 -20.266 -7.646 -0.764 1.00 35.25 H new ATOM 775 N LEU A 48 -18.677 -5.828 -5.351 1.00 52.41 N ATOM 776 CA LEU A 48 -18.871 -4.973 -6.524 1.00 24.01 C ATOM 777 C LEU A 48 -18.073 -5.479 -7.735 1.00 23.22 C ATOM 778 O LEU A 48 -16.912 -5.870 -7.610 1.00 64.33 O ATOM 779 CB LEU A 48 -18.429 -3.542 -6.187 1.00 24.22 C ATOM 780 CG LEU A 48 -18.487 -2.529 -7.344 1.00 72.45 C ATOM 781 CD1 LEU A 48 -19.931 -2.272 -7.774 1.00 3.23 C ATOM 782 CD2 LEU A 48 -17.790 -1.230 -6.951 1.00 14.34 C ATOM 0 H LEU A 48 -17.905 -5.537 -4.752 1.00 52.41 H new ATOM 0 HA LEU A 48 -19.929 -4.994 -6.785 1.00 24.01 H new ATOM 0 HB2 LEU A 48 -19.054 -3.172 -5.374 1.00 24.22 H new ATOM 0 HB3 LEU A 48 -17.406 -3.577 -5.812 1.00 24.22 H new ATOM 0 HG LEU A 48 -17.959 -2.953 -8.198 1.00 72.45 H new ATOM 0 HD11 LEU A 48 -19.944 -1.553 -8.593 1.00 3.23 H new ATOM 0 HD12 LEU A 48 -20.384 -3.207 -8.105 1.00 3.23 H new ATOM 0 HD13 LEU A 48 -20.496 -1.873 -6.932 1.00 3.23 H new ATOM 0 HD21 LEU A 48 -17.840 -0.525 -7.781 1.00 14.34 H new ATOM 0 HD22 LEU A 48 -18.285 -0.801 -6.080 1.00 14.34 H new ATOM 0 HD23 LEU A 48 -16.747 -1.435 -6.712 1.00 14.34 H new ATOM 794 N TYR A 49 -18.704 -5.472 -8.907 1.00 35.41 N ATOM 795 CA TYR A 49 -18.004 -5.777 -10.155 1.00 4.23 C ATOM 796 C TYR A 49 -17.375 -4.502 -10.744 1.00 34.32 C ATOM 797 O TYR A 49 -18.062 -3.500 -10.961 1.00 34.22 O ATOM 798 CB TYR A 49 -18.960 -6.436 -11.157 1.00 41.15 C ATOM 799 CG TYR A 49 -19.410 -7.820 -10.725 1.00 4.44 C ATOM 800 CD1 TYR A 49 -18.487 -8.853 -10.594 1.00 24.51 C ATOM 801 CD2 TYR A 49 -20.744 -8.094 -10.433 1.00 41.32 C ATOM 802 CE1 TYR A 49 -18.877 -10.112 -10.189 1.00 13.32 C ATOM 803 CE2 TYR A 49 -21.139 -9.354 -10.024 1.00 34.44 C ATOM 804 CZ TYR A 49 -20.201 -10.359 -9.906 1.00 10.14 C ATOM 805 OH TYR A 49 -20.588 -11.618 -9.496 1.00 71.33 O ATOM 0 H TYR A 49 -19.695 -5.259 -9.020 1.00 35.41 H new ATOM 0 HA TYR A 49 -17.200 -6.482 -9.943 1.00 4.23 H new ATOM 0 HB2 TYR A 49 -19.835 -5.800 -11.288 1.00 41.15 H new ATOM 0 HB3 TYR A 49 -18.469 -6.506 -12.127 1.00 41.15 H new ATOM 0 HD1 TYR A 49 -17.446 -8.665 -10.814 1.00 24.51 H new ATOM 0 HD2 TYR A 49 -21.481 -7.310 -10.528 1.00 41.32 H new ATOM 0 HE1 TYR A 49 -18.146 -10.901 -10.094 1.00 13.32 H new ATOM 0 HE2 TYR A 49 -22.177 -9.551 -9.798 1.00 34.44 H new ATOM 0 HH TYR A 49 -21.555 -11.627 -9.335 1.00 71.33 H new ATOM 815 N PRO A 50 -16.057 -4.532 -11.023 1.00 24.40 N ATOM 816 CA PRO A 50 -15.278 -3.333 -11.397 1.00 3.41 C ATOM 817 C PRO A 50 -15.865 -2.525 -12.573 1.00 15.20 C ATOM 818 O PRO A 50 -15.797 -2.937 -13.731 1.00 63.40 O ATOM 819 CB PRO A 50 -13.889 -3.897 -11.762 1.00 12.51 C ATOM 820 CG PRO A 50 -14.091 -5.368 -11.933 1.00 13.24 C ATOM 821 CD PRO A 50 -15.212 -5.738 -11.004 1.00 41.32 C ATOM 0 HA PRO A 50 -15.270 -2.615 -10.577 1.00 3.41 H new ATOM 0 HB2 PRO A 50 -13.509 -3.444 -12.677 1.00 12.51 H new ATOM 0 HB3 PRO A 50 -13.162 -3.689 -10.977 1.00 12.51 H new ATOM 0 HG2 PRO A 50 -14.343 -5.611 -12.965 1.00 13.24 H new ATOM 0 HG3 PRO A 50 -13.183 -5.918 -11.688 1.00 13.24 H new ATOM 0 HD2 PRO A 50 -15.753 -6.618 -11.352 1.00 41.32 H new ATOM 0 HD3 PRO A 50 -14.850 -5.963 -10.001 1.00 41.32 H new ATOM 829 N HIS A 51 -16.463 -1.378 -12.253 1.00 11.53 N ATOM 830 CA HIS A 51 -16.849 -0.383 -13.260 1.00 22.33 C ATOM 831 C HIS A 51 -15.847 0.786 -13.225 1.00 4.54 C ATOM 832 O HIS A 51 -15.366 1.251 -14.261 1.00 64.42 O ATOM 833 CB HIS A 51 -18.275 0.127 -13.001 1.00 24.20 C ATOM 834 CG HIS A 51 -19.304 -0.964 -12.937 1.00 31.32 C ATOM 835 ND1 HIS A 51 -20.031 -1.251 -11.801 1.00 35.25 N ATOM 836 CD2 HIS A 51 -19.735 -1.837 -13.880 1.00 70.45 C ATOM 837 CE1 HIS A 51 -20.857 -2.246 -12.047 1.00 63.31 C ATOM 838 NE2 HIS A 51 -20.701 -2.620 -13.299 1.00 41.33 N ATOM 0 H HIS A 51 -16.693 -1.111 -11.296 1.00 11.53 H new ATOM 0 HA HIS A 51 -16.833 -0.847 -14.246 1.00 22.33 H new ATOM 0 HB2 HIS A 51 -18.288 0.682 -12.063 1.00 24.20 H new ATOM 0 HB3 HIS A 51 -18.550 0.827 -13.790 1.00 24.20 H new ATOM 0 HD2 HIS A 51 -19.384 -1.904 -14.899 1.00 70.45 H new ATOM 0 HE1 HIS A 51 -21.547 -2.682 -11.340 1.00 63.31 H new ATOM 0 HE2 HIS A 51 -21.214 -3.370 -13.762 1.00 41.33 H new ATOM 847 N LEU A 52 -15.549 1.253 -12.012 1.00 10.51 N ATOM 848 CA LEU A 52 -14.463 2.216 -11.776 1.00 63.34 C ATOM 849 C LEU A 52 -13.217 1.480 -11.256 1.00 43.41 C ATOM 850 O LEU A 52 -13.266 0.277 -10.992 1.00 34.45 O ATOM 851 CB LEU A 52 -14.897 3.302 -10.769 1.00 13.30 C ATOM 852 CG LEU A 52 -15.979 4.285 -11.258 1.00 71.03 C ATOM 853 CD1 LEU A 52 -15.555 4.951 -12.565 1.00 63.41 C ATOM 854 CD2 LEU A 52 -17.334 3.593 -11.410 1.00 51.43 C ATOM 0 H LEU A 52 -16.049 0.978 -11.166 1.00 10.51 H new ATOM 0 HA LEU A 52 -14.225 2.705 -12.721 1.00 63.34 H new ATOM 0 HB2 LEU A 52 -15.263 2.809 -9.869 1.00 13.30 H new ATOM 0 HB3 LEU A 52 -14.016 3.876 -10.482 1.00 13.30 H new ATOM 0 HG LEU A 52 -16.090 5.061 -10.501 1.00 71.03 H new ATOM 0 HD11 LEU A 52 -16.334 5.640 -12.891 1.00 63.41 H new ATOM 0 HD12 LEU A 52 -14.626 5.500 -12.409 1.00 63.41 H new ATOM 0 HD13 LEU A 52 -15.402 4.189 -13.329 1.00 63.41 H new ATOM 0 HD21 LEU A 52 -18.074 4.314 -11.756 1.00 51.43 H new ATOM 0 HD22 LEU A 52 -17.250 2.783 -12.135 1.00 51.43 H new ATOM 0 HD23 LEU A 52 -17.645 3.187 -10.447 1.00 51.43 H new ATOM 866 N TYR A 53 -12.099 2.192 -11.112 1.00 70.25 N ATOM 867 CA TYR A 53 -10.842 1.568 -10.672 1.00 73.31 C ATOM 868 C TYR A 53 -10.111 2.432 -9.631 1.00 4.03 C ATOM 869 O TYR A 53 -10.175 3.661 -9.671 1.00 64.21 O ATOM 870 CB TYR A 53 -9.930 1.313 -11.882 1.00 60.22 C ATOM 871 CG TYR A 53 -10.575 0.444 -12.951 1.00 0.00 C ATOM 872 CD1 TYR A 53 -10.574 -0.944 -12.844 1.00 44.55 C ATOM 873 CD2 TYR A 53 -11.202 1.014 -14.054 1.00 63.34 C ATOM 874 CE1 TYR A 53 -11.178 -1.735 -13.804 1.00 53.12 C ATOM 875 CE2 TYR A 53 -11.804 0.230 -15.020 1.00 31.34 C ATOM 876 CZ TYR A 53 -11.790 -1.143 -14.889 1.00 2.24 C ATOM 877 OH TYR A 53 -12.405 -1.928 -15.844 1.00 73.32 O ATOM 0 H TYR A 53 -12.033 3.194 -11.291 1.00 70.25 H new ATOM 0 HA TYR A 53 -11.090 0.618 -10.198 1.00 73.31 H new ATOM 0 HB2 TYR A 53 -9.648 2.269 -12.323 1.00 60.22 H new ATOM 0 HB3 TYR A 53 -9.011 0.835 -11.541 1.00 60.22 H new ATOM 0 HD1 TYR A 53 -10.093 -1.411 -11.997 1.00 44.55 H new ATOM 0 HD2 TYR A 53 -11.219 2.089 -14.157 1.00 63.34 H new ATOM 0 HE1 TYR A 53 -11.171 -2.810 -13.705 1.00 53.12 H new ATOM 0 HE2 TYR A 53 -12.282 0.690 -15.872 1.00 31.34 H new ATOM 0 HH TYR A 53 -12.788 -1.355 -16.541 1.00 73.32 H new ATOM 887 N SER A 54 -9.418 1.779 -8.699 1.00 72.13 N ATOM 888 CA SER A 54 -8.675 2.487 -7.645 1.00 75.41 C ATOM 889 C SER A 54 -7.505 1.646 -7.120 1.00 42.14 C ATOM 890 O SER A 54 -7.454 0.431 -7.322 1.00 31.13 O ATOM 891 CB SER A 54 -9.603 2.858 -6.479 1.00 61.23 C ATOM 892 OG SER A 54 -10.147 1.704 -5.857 1.00 12.52 O ATOM 0 H SER A 54 -9.353 0.762 -8.648 1.00 72.13 H new ATOM 0 HA SER A 54 -8.275 3.398 -8.090 1.00 75.41 H new ATOM 0 HB2 SER A 54 -9.049 3.441 -5.744 1.00 61.23 H new ATOM 0 HB3 SER A 54 -10.412 3.491 -6.844 1.00 61.23 H new ATOM 0 HG SER A 54 -10.731 1.975 -5.118 1.00 12.52 H new ATOM 898 N ARG A 55 -6.556 2.309 -6.457 1.00 51.31 N ATOM 899 CA ARG A 55 -5.387 1.639 -5.868 1.00 74.33 C ATOM 900 C ARG A 55 -4.782 2.460 -4.711 1.00 31.42 C ATOM 901 O ARG A 55 -5.264 3.544 -4.384 1.00 71.11 O ATOM 902 CB ARG A 55 -4.321 1.326 -6.945 1.00 1.45 C ATOM 903 CG ARG A 55 -4.257 2.316 -8.115 1.00 13.53 C ATOM 904 CD ARG A 55 -3.886 3.737 -7.688 1.00 64.34 C ATOM 905 NE ARG A 55 -3.673 4.607 -8.846 1.00 50.32 N ATOM 906 CZ ARG A 55 -3.681 5.913 -8.808 1.00 31.23 C ATOM 907 NH1 ARG A 55 -3.960 6.545 -7.714 1.00 12.31 N ATOM 908 NH2 ARG A 55 -3.423 6.583 -9.882 1.00 63.22 N ATOM 0 H ARG A 55 -6.572 3.318 -6.312 1.00 51.31 H new ATOM 0 HA ARG A 55 -5.732 0.693 -5.451 1.00 74.33 H new ATOM 0 HB2 ARG A 55 -3.343 1.293 -6.465 1.00 1.45 H new ATOM 0 HB3 ARG A 55 -4.514 0.330 -7.344 1.00 1.45 H new ATOM 0 HG2 ARG A 55 -3.527 1.961 -8.842 1.00 13.53 H new ATOM 0 HG3 ARG A 55 -5.224 2.336 -8.618 1.00 13.53 H new ATOM 0 HD2 ARG A 55 -4.678 4.149 -7.063 1.00 64.34 H new ATOM 0 HD3 ARG A 55 -2.982 3.711 -7.080 1.00 64.34 H new ATOM 0 HE ARG A 55 -3.506 4.161 -9.748 1.00 50.32 H new ATOM 0 HH11 ARG A 55 -4.178 6.023 -6.865 1.00 12.31 H new ATOM 0 HH12 ARG A 55 -3.962 7.565 -7.701 1.00 12.31 H new ATOM 0 HH21 ARG A 55 -3.215 6.092 -10.752 1.00 63.22 H new ATOM 0 HH22 ARG A 55 -3.427 7.603 -9.860 1.00 63.22 H new ATOM 922 N ALA A 56 -3.727 1.930 -4.096 1.00 42.43 N ATOM 923 CA ALA A 56 -3.099 2.565 -2.930 1.00 13.11 C ATOM 924 C ALA A 56 -1.619 2.886 -3.183 1.00 44.01 C ATOM 925 O ALA A 56 -1.042 2.456 -4.182 1.00 61.21 O ATOM 926 CB ALA A 56 -3.240 1.661 -1.711 1.00 61.14 C ATOM 0 H ALA A 56 -3.284 1.058 -4.385 1.00 42.43 H new ATOM 0 HA ALA A 56 -3.612 3.509 -2.746 1.00 13.11 H new ATOM 0 HB1 ALA A 56 -2.772 2.137 -0.849 1.00 61.14 H new ATOM 0 HB2 ALA A 56 -4.297 1.492 -1.503 1.00 61.14 H new ATOM 0 HB3 ALA A 56 -2.752 0.706 -1.908 1.00 61.14 H new ATOM 932 N TYR A 57 -1.009 3.639 -2.268 1.00 31.11 N ATOM 933 CA TYR A 57 0.416 3.991 -2.371 1.00 64.13 C ATOM 934 C TYR A 57 1.117 3.938 -1.005 1.00 23.21 C ATOM 935 O TYR A 57 0.472 3.934 0.043 1.00 63.43 O ATOM 936 CB TYR A 57 0.588 5.390 -2.984 1.00 55.11 C ATOM 937 CG TYR A 57 0.283 5.454 -4.469 1.00 75.30 C ATOM 938 CD1 TYR A 57 1.214 5.016 -5.405 1.00 13.42 C ATOM 939 CD2 TYR A 57 -0.933 5.943 -4.939 1.00 44.11 C ATOM 940 CE1 TYR A 57 0.948 5.070 -6.760 1.00 44.22 C ATOM 941 CE2 TYR A 57 -1.205 6.000 -6.294 1.00 23.13 C ATOM 942 CZ TYR A 57 -0.262 5.558 -7.201 1.00 71.21 C ATOM 943 OH TYR A 57 -0.527 5.615 -8.554 1.00 71.23 O ATOM 0 H TYR A 57 -1.476 4.020 -1.445 1.00 31.11 H new ATOM 0 HA TYR A 57 0.881 3.251 -3.022 1.00 64.13 H new ATOM 0 HB2 TYR A 57 -0.064 6.088 -2.459 1.00 55.11 H new ATOM 0 HB3 TYR A 57 1.612 5.725 -2.819 1.00 55.11 H new ATOM 0 HD1 TYR A 57 2.163 4.626 -5.066 1.00 13.42 H new ATOM 0 HD2 TYR A 57 -1.676 6.284 -4.234 1.00 44.11 H new ATOM 0 HE1 TYR A 57 1.687 4.731 -7.471 1.00 44.22 H new ATOM 0 HE2 TYR A 57 -2.151 6.389 -6.641 1.00 23.13 H new ATOM 0 HH TYR A 57 -0.045 4.895 -9.012 1.00 71.23 H new ATOM 953 N ILE A 58 2.449 3.906 -1.031 1.00 23.53 N ATOM 954 CA ILE A 58 3.261 3.896 0.195 1.00 40.30 C ATOM 955 C ILE A 58 4.217 5.104 0.221 1.00 55.32 C ATOM 956 O ILE A 58 4.680 5.558 -0.824 1.00 30.41 O ATOM 957 CB ILE A 58 4.086 2.582 0.309 1.00 42.22 C ATOM 958 CG1 ILE A 58 3.170 1.354 0.139 1.00 44.53 C ATOM 959 CG2 ILE A 58 4.828 2.517 1.648 1.00 71.32 C ATOM 960 CD1 ILE A 58 3.906 0.028 0.164 1.00 60.31 C ATOM 0 H ILE A 58 2.996 3.886 -1.892 1.00 23.53 H new ATOM 0 HA ILE A 58 2.579 3.957 1.043 1.00 40.30 H new ATOM 0 HB ILE A 58 4.827 2.576 -0.490 1.00 42.22 H new ATOM 0 HG12 ILE A 58 2.423 1.358 0.932 1.00 44.53 H new ATOM 0 HG13 ILE A 58 2.633 1.442 -0.805 1.00 44.53 H new ATOM 0 HG21 ILE A 58 5.397 1.589 1.704 1.00 71.32 H new ATOM 0 HG22 ILE A 58 5.508 3.365 1.729 1.00 71.32 H new ATOM 0 HG23 ILE A 58 4.107 2.550 2.465 1.00 71.32 H new ATOM 0 HD11 ILE A 58 3.193 -0.787 0.038 1.00 60.31 H new ATOM 0 HD12 ILE A 58 4.634 0.001 -0.647 1.00 60.31 H new ATOM 0 HD13 ILE A 58 4.421 -0.084 1.118 1.00 60.31 H new ATOM 972 N ASN A 59 4.499 5.631 1.413 1.00 34.43 N ATOM 973 CA ASN A 59 5.404 6.780 1.550 1.00 74.32 C ATOM 974 C ASN A 59 6.627 6.425 2.415 1.00 50.13 C ATOM 975 O ASN A 59 6.492 5.974 3.559 1.00 33.42 O ATOM 976 CB ASN A 59 4.650 7.979 2.149 1.00 52.14 C ATOM 977 CG ASN A 59 5.461 9.266 2.113 1.00 43.55 C ATOM 978 OD1 ASN A 59 6.309 9.458 1.251 1.00 71.10 O ATOM 979 ND2 ASN A 59 5.196 10.165 3.038 1.00 35.44 N ATOM 0 H ASN A 59 4.118 5.286 2.294 1.00 34.43 H new ATOM 0 HA ASN A 59 5.765 7.050 0.557 1.00 74.32 H new ATOM 0 HB2 ASN A 59 3.719 8.127 1.602 1.00 52.14 H new ATOM 0 HB3 ASN A 59 4.381 7.754 3.181 1.00 52.14 H new ATOM 0 HD21 ASN A 59 5.703 11.050 3.049 1.00 35.44 H new ATOM 0 HD22 ASN A 59 4.484 9.976 3.743 1.00 35.44 H new ATOM 986 N PHE A 60 7.821 6.632 1.858 1.00 31.40 N ATOM 987 CA PHE A 60 9.081 6.324 2.553 1.00 73.14 C ATOM 988 C PHE A 60 9.812 7.599 2.991 1.00 72.44 C ATOM 989 O PHE A 60 9.788 8.617 2.300 1.00 35.15 O ATOM 990 CB PHE A 60 9.997 5.482 1.654 1.00 14.51 C ATOM 991 CG PHE A 60 9.592 4.033 1.566 1.00 64.24 C ATOM 992 CD1 PHE A 60 8.574 3.626 0.716 1.00 21.45 C ATOM 993 CD2 PHE A 60 10.234 3.075 2.339 1.00 62.40 C ATOM 994 CE1 PHE A 60 8.206 2.295 0.641 1.00 31.22 C ATOM 995 CE2 PHE A 60 9.871 1.746 2.267 1.00 41.44 C ATOM 996 CZ PHE A 60 8.857 1.354 1.417 1.00 55.24 C ATOM 0 H PHE A 60 7.947 7.014 0.921 1.00 31.40 H new ATOM 0 HA PHE A 60 8.829 5.754 3.447 1.00 73.14 H new ATOM 0 HB2 PHE A 60 10.002 5.911 0.652 1.00 14.51 H new ATOM 0 HB3 PHE A 60 11.018 5.543 2.031 1.00 14.51 H new ATOM 0 HD1 PHE A 60 8.063 4.357 0.106 1.00 21.45 H new ATOM 0 HD2 PHE A 60 11.029 3.374 3.006 1.00 62.40 H new ATOM 0 HE1 PHE A 60 7.411 1.991 -0.023 1.00 31.22 H new ATOM 0 HE2 PHE A 60 10.380 1.013 2.875 1.00 41.44 H new ATOM 0 HZ PHE A 60 8.572 0.314 1.358 1.00 55.24 H new ATOM 1006 N ARG A 61 10.464 7.539 4.151 1.00 14.13 N ATOM 1007 CA ARG A 61 11.190 8.698 4.690 1.00 3.01 C ATOM 1008 C ARG A 61 12.667 8.360 4.971 1.00 45.45 C ATOM 1009 O ARG A 61 13.416 9.194 5.487 1.00 33.21 O ATOM 1010 CB ARG A 61 10.511 9.192 5.981 1.00 41.11 C ATOM 1011 CG ARG A 61 9.002 9.421 5.852 1.00 42.44 C ATOM 1012 CD ARG A 61 8.654 10.369 4.707 1.00 21.43 C ATOM 1013 NE ARG A 61 9.290 11.671 4.859 1.00 40.24 N ATOM 1014 CZ ARG A 61 9.951 12.286 3.917 1.00 5.30 C ATOM 1015 NH1 ARG A 61 10.110 11.737 2.751 1.00 73.12 N ATOM 1016 NH2 ARG A 61 10.448 13.454 4.151 1.00 4.11 N ATOM 0 H ARG A 61 10.507 6.705 4.737 1.00 14.13 H new ATOM 0 HA ARG A 61 11.163 9.487 3.939 1.00 3.01 H new ATOM 0 HB2 ARG A 61 10.690 8.465 6.773 1.00 41.11 H new ATOM 0 HB3 ARG A 61 10.983 10.124 6.292 1.00 41.11 H new ATOM 0 HG2 ARG A 61 8.504 8.465 5.692 1.00 42.44 H new ATOM 0 HG3 ARG A 61 8.618 9.828 6.787 1.00 42.44 H new ATOM 0 HD2 ARG A 61 8.963 9.923 3.762 1.00 21.43 H new ATOM 0 HD3 ARG A 61 7.573 10.498 4.660 1.00 21.43 H new ATOM 0 HE ARG A 61 9.213 12.134 5.765 1.00 40.24 H new ATOM 0 HH11 ARG A 61 9.716 10.815 2.563 1.00 73.12 H new ATOM 0 HH12 ARG A 61 10.629 12.228 2.023 1.00 73.12 H new ATOM 0 HH21 ARG A 61 10.322 13.888 5.066 1.00 4.11 H new ATOM 0 HH22 ARG A 61 10.966 13.943 3.421 1.00 4.11 H new ATOM 1030 N ASN A 62 13.085 7.143 4.612 1.00 30.03 N ATOM 1031 CA ASN A 62 14.434 6.658 4.942 1.00 10.43 C ATOM 1032 C ASN A 62 14.929 5.612 3.917 1.00 72.03 C ATOM 1033 O ASN A 62 14.205 4.669 3.592 1.00 22.31 O ATOM 1034 CB ASN A 62 14.412 6.035 6.342 1.00 51.32 C ATOM 1035 CG ASN A 62 15.796 5.784 6.909 1.00 11.34 C ATOM 1036 OD1 ASN A 62 16.729 6.543 6.673 1.00 61.41 O ATOM 1037 ND2 ASN A 62 15.940 4.714 7.655 1.00 12.41 N ATOM 0 H ASN A 62 12.513 6.475 4.095 1.00 30.03 H new ATOM 0 HA ASN A 62 15.120 7.504 4.913 1.00 10.43 H new ATOM 0 HB2 ASN A 62 13.865 6.693 7.016 1.00 51.32 H new ATOM 0 HB3 ASN A 62 13.866 5.092 6.304 1.00 51.32 H new ATOM 0 HD21 ASN A 62 16.850 4.493 8.059 1.00 12.41 H new ATOM 0 HD22 ASN A 62 15.142 4.104 7.831 1.00 12.41 H new ATOM 1044 N PRO A 63 16.171 5.764 3.394 1.00 21.30 N ATOM 1045 CA PRO A 63 16.773 4.788 2.460 1.00 4.23 C ATOM 1046 C PRO A 63 16.841 3.354 3.029 1.00 32.25 C ATOM 1047 O PRO A 63 16.615 2.381 2.302 1.00 32.24 O ATOM 1048 CB PRO A 63 18.188 5.347 2.207 1.00 30.33 C ATOM 1049 CG PRO A 63 18.424 6.338 3.300 1.00 15.24 C ATOM 1050 CD PRO A 63 17.073 6.902 3.641 1.00 72.11 C ATOM 0 HA PRO A 63 16.173 4.687 1.556 1.00 4.23 H new ATOM 0 HB2 PRO A 63 18.934 4.553 2.229 1.00 30.33 H new ATOM 0 HB3 PRO A 63 18.254 5.820 1.227 1.00 30.33 H new ATOM 0 HG2 PRO A 63 18.879 5.861 4.168 1.00 15.24 H new ATOM 0 HG3 PRO A 63 19.105 7.124 2.974 1.00 15.24 H new ATOM 0 HD2 PRO A 63 17.025 7.238 4.677 1.00 72.11 H new ATOM 0 HD3 PRO A 63 16.823 7.759 3.016 1.00 72.11 H new ATOM 1058 N ASP A 64 17.159 3.229 4.320 1.00 1.13 N ATOM 1059 CA ASP A 64 17.193 1.923 4.998 1.00 64.20 C ATOM 1060 C ASP A 64 15.855 1.182 4.856 1.00 73.24 C ATOM 1061 O ASP A 64 15.811 0.031 4.418 1.00 5.24 O ATOM 1062 CB ASP A 64 17.514 2.104 6.483 1.00 61.44 C ATOM 1063 CG ASP A 64 18.867 2.746 6.712 1.00 72.52 C ATOM 1064 OD1 ASP A 64 19.016 3.949 6.412 1.00 63.44 O ATOM 1065 OD2 ASP A 64 19.783 2.055 7.208 1.00 12.23 O ATOM 0 H ASP A 64 17.398 4.017 4.922 1.00 1.13 H new ATOM 0 HA ASP A 64 17.972 1.327 4.523 1.00 64.20 H new ATOM 0 HB2 ASP A 64 16.741 2.718 6.946 1.00 61.44 H new ATOM 0 HB3 ASP A 64 17.488 1.133 6.978 1.00 61.44 H new ATOM 1070 N ASP A 65 14.773 1.852 5.250 1.00 24.40 N ATOM 1071 CA ASP A 65 13.418 1.308 5.120 1.00 52.34 C ATOM 1072 C ASP A 65 13.117 0.896 3.665 1.00 61.22 C ATOM 1073 O ASP A 65 12.511 -0.149 3.419 1.00 44.53 O ATOM 1074 CB ASP A 65 12.396 2.351 5.597 1.00 2.45 C ATOM 1075 CG ASP A 65 12.561 2.714 7.067 1.00 61.10 C ATOM 1076 OD1 ASP A 65 13.708 2.932 7.510 1.00 12.30 O ATOM 1077 OD2 ASP A 65 11.540 2.812 7.782 1.00 13.34 O ATOM 0 H ASP A 65 14.808 2.782 5.666 1.00 24.40 H new ATOM 0 HA ASP A 65 13.345 0.415 5.741 1.00 52.34 H new ATOM 0 HB2 ASP A 65 12.495 3.252 4.992 1.00 2.45 H new ATOM 0 HB3 ASP A 65 11.389 1.967 5.434 1.00 2.45 H new ATOM 1082 N ILE A 66 13.554 1.723 2.713 1.00 14.02 N ATOM 1083 CA ILE A 66 13.374 1.443 1.279 1.00 13.34 C ATOM 1084 C ILE A 66 13.948 0.071 0.878 1.00 43.23 C ATOM 1085 O ILE A 66 13.209 -0.831 0.472 1.00 64.42 O ATOM 1086 CB ILE A 66 14.037 2.547 0.407 1.00 21.04 C ATOM 1087 CG1 ILE A 66 13.297 3.884 0.574 1.00 25.23 C ATOM 1088 CG2 ILE A 66 14.083 2.131 -1.065 1.00 62.34 C ATOM 1089 CD1 ILE A 66 13.911 5.031 -0.205 1.00 75.11 C ATOM 0 H ILE A 66 14.039 2.599 2.907 1.00 14.02 H new ATOM 0 HA ILE A 66 12.299 1.432 1.100 1.00 13.34 H new ATOM 0 HB ILE A 66 15.064 2.678 0.749 1.00 21.04 H new ATOM 0 HG12 ILE A 66 12.262 3.756 0.257 1.00 25.23 H new ATOM 0 HG13 ILE A 66 13.277 4.147 1.632 1.00 25.23 H new ATOM 0 HG21 ILE A 66 14.551 2.921 -1.652 1.00 62.34 H new ATOM 0 HG22 ILE A 66 14.661 1.213 -1.166 1.00 62.34 H new ATOM 0 HG23 ILE A 66 13.069 1.962 -1.427 1.00 62.34 H new ATOM 0 HD11 ILE A 66 13.331 5.938 -0.034 1.00 75.11 H new ATOM 0 HD12 ILE A 66 14.937 5.188 0.127 1.00 75.11 H new ATOM 0 HD13 ILE A 66 13.906 4.792 -1.269 1.00 75.11 H new ATOM 1101 N LEU A 67 15.268 -0.085 1.008 1.00 54.11 N ATOM 1102 CA LEU A 67 15.944 -1.323 0.595 1.00 41.04 C ATOM 1103 C LEU A 67 15.499 -2.526 1.444 1.00 2.42 C ATOM 1104 O LEU A 67 15.548 -3.672 0.992 1.00 70.24 O ATOM 1105 CB LEU A 67 17.479 -1.136 0.636 1.00 73.34 C ATOM 1106 CG LEU A 67 18.080 -0.636 1.968 1.00 71.14 C ATOM 1107 CD1 LEU A 67 18.199 -1.760 2.994 1.00 2.43 C ATOM 1108 CD2 LEU A 67 19.438 0.022 1.732 1.00 40.13 C ATOM 0 H LEU A 67 15.890 0.626 1.394 1.00 54.11 H new ATOM 0 HA LEU A 67 15.653 -1.540 -0.433 1.00 41.04 H new ATOM 0 HB2 LEU A 67 17.945 -2.090 0.389 1.00 73.34 H new ATOM 0 HB3 LEU A 67 17.757 -0.432 -0.149 1.00 73.34 H new ATOM 0 HG LEU A 67 17.396 0.108 2.376 1.00 71.14 H new ATOM 0 HD11 LEU A 67 18.626 -1.367 3.917 1.00 2.43 H new ATOM 0 HD12 LEU A 67 17.211 -2.172 3.198 1.00 2.43 H new ATOM 0 HD13 LEU A 67 18.845 -2.545 2.601 1.00 2.43 H new ATOM 0 HD21 LEU A 67 19.845 0.368 2.682 1.00 40.13 H new ATOM 0 HD22 LEU A 67 20.121 -0.702 1.287 1.00 40.13 H new ATOM 0 HD23 LEU A 67 19.319 0.871 1.058 1.00 40.13 H new ATOM 1120 N LEU A 68 15.058 -2.251 2.671 1.00 25.01 N ATOM 1121 CA LEU A 68 14.561 -3.289 3.580 1.00 61.31 C ATOM 1122 C LEU A 68 13.204 -3.850 3.123 1.00 33.42 C ATOM 1123 O LEU A 68 13.083 -5.034 2.797 1.00 53.32 O ATOM 1124 CB LEU A 68 14.438 -2.714 5.001 1.00 2.53 C ATOM 1125 CG LEU A 68 13.645 -3.571 6.005 1.00 52.31 C ATOM 1126 CD1 LEU A 68 14.273 -4.953 6.172 1.00 45.25 C ATOM 1127 CD2 LEU A 68 13.546 -2.857 7.351 1.00 71.40 C ATOM 0 H LEU A 68 15.034 -1.310 3.063 1.00 25.01 H new ATOM 0 HA LEU A 68 15.276 -4.111 3.572 1.00 61.31 H new ATOM 0 HB2 LEU A 68 15.441 -2.559 5.398 1.00 2.53 H new ATOM 0 HB3 LEU A 68 13.966 -1.734 4.936 1.00 2.53 H new ATOM 0 HG LEU A 68 12.639 -3.710 5.609 1.00 52.31 H new ATOM 0 HD11 LEU A 68 13.690 -5.534 6.887 1.00 45.25 H new ATOM 0 HD12 LEU A 68 14.284 -5.466 5.211 1.00 45.25 H new ATOM 0 HD13 LEU A 68 15.294 -4.847 6.538 1.00 45.25 H new ATOM 0 HD21 LEU A 68 12.983 -3.475 8.050 1.00 71.40 H new ATOM 0 HD22 LEU A 68 14.547 -2.683 7.745 1.00 71.40 H new ATOM 0 HD23 LEU A 68 13.037 -1.902 7.220 1.00 71.40 H new ATOM 1139 N PHE A 69 12.189 -2.994 3.095 1.00 32.55 N ATOM 1140 CA PHE A 69 10.820 -3.430 2.818 1.00 14.13 C ATOM 1141 C PHE A 69 10.622 -3.881 1.366 1.00 43.22 C ATOM 1142 O PHE A 69 9.865 -4.814 1.108 1.00 75.35 O ATOM 1143 CB PHE A 69 9.827 -2.335 3.212 1.00 14.52 C ATOM 1144 CG PHE A 69 9.529 -2.347 4.688 1.00 65.11 C ATOM 1145 CD1 PHE A 69 10.386 -1.744 5.596 1.00 42.32 C ATOM 1146 CD2 PHE A 69 8.399 -2.994 5.170 1.00 53.21 C ATOM 1147 CE1 PHE A 69 10.123 -1.786 6.950 1.00 22.44 C ATOM 1148 CE2 PHE A 69 8.131 -3.035 6.524 1.00 23.14 C ATOM 1149 CZ PHE A 69 8.996 -2.432 7.415 1.00 32.21 C ATOM 0 H PHE A 69 12.286 -1.992 3.261 1.00 32.55 H new ATOM 0 HA PHE A 69 10.627 -4.311 3.430 1.00 14.13 H new ATOM 0 HB2 PHE A 69 10.230 -1.362 2.932 1.00 14.52 H new ATOM 0 HB3 PHE A 69 8.900 -2.468 2.654 1.00 14.52 H new ATOM 0 HD1 PHE A 69 11.270 -1.236 5.239 1.00 42.32 H new ATOM 0 HD2 PHE A 69 7.721 -3.471 4.477 1.00 53.21 H new ATOM 0 HE1 PHE A 69 10.800 -1.313 7.646 1.00 22.44 H new ATOM 0 HE2 PHE A 69 7.246 -3.538 6.885 1.00 23.14 H new ATOM 0 HZ PHE A 69 8.791 -2.466 8.475 1.00 32.21 H new ATOM 1159 N ARG A 70 11.314 -3.249 0.420 1.00 72.40 N ATOM 1160 CA ARG A 70 11.280 -3.708 -0.975 1.00 44.34 C ATOM 1161 C ARG A 70 11.700 -5.187 -1.059 1.00 44.42 C ATOM 1162 O ARG A 70 11.072 -5.989 -1.748 1.00 21.44 O ATOM 1163 CB ARG A 70 12.194 -2.823 -1.852 1.00 53.23 C ATOM 1164 CG ARG A 70 12.177 -3.153 -3.352 1.00 0.00 C ATOM 1165 CD ARG A 70 13.082 -4.335 -3.709 1.00 32.11 C ATOM 1166 NE ARG A 70 12.971 -4.724 -5.111 1.00 42.12 N ATOM 1167 CZ ARG A 70 13.174 -5.937 -5.552 1.00 55.52 C ATOM 1168 NH1 ARG A 70 13.456 -6.905 -4.737 1.00 53.41 N ATOM 1169 NH2 ARG A 70 13.091 -6.186 -6.811 1.00 73.41 N ATOM 0 H ARG A 70 11.898 -2.429 0.586 1.00 72.40 H new ATOM 0 HA ARG A 70 10.261 -3.621 -1.351 1.00 44.34 H new ATOM 0 HB2 ARG A 70 11.899 -1.782 -1.722 1.00 53.23 H new ATOM 0 HB3 ARG A 70 13.218 -2.912 -1.488 1.00 53.23 H new ATOM 0 HG2 ARG A 70 11.155 -3.378 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.493 -2.276 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.117 -4.074 -3.489 1.00 32.11 H new ATOM 0 HD3 ARG A 70 12.827 -5.187 -3.078 1.00 32.11 H new ATOM 0 HE ARG A 70 12.719 -4.004 -5.789 1.00 42.12 H new ATOM 0 HH11 ARG A 70 13.522 -6.725 -3.735 1.00 53.41 H new ATOM 0 HH12 ARG A 70 13.612 -7.846 -5.098 1.00 53.41 H new ATOM 0 HH21 ARG A 70 12.867 -5.436 -7.465 1.00 73.41 H new ATOM 0 HH22 ARG A 70 13.250 -7.133 -7.155 1.00 73.41 H new ATOM 1183 N ASP A 71 12.751 -5.536 -0.319 1.00 75.24 N ATOM 1184 CA ASP A 71 13.312 -6.893 -0.330 1.00 43.32 C ATOM 1185 C ASP A 71 12.353 -7.931 0.294 1.00 52.23 C ATOM 1186 O ASP A 71 12.488 -9.132 0.061 1.00 60.33 O ATOM 1187 CB ASP A 71 14.654 -6.885 0.416 1.00 3.54 C ATOM 1188 CG ASP A 71 15.355 -8.230 0.379 1.00 24.12 C ATOM 1189 OD1 ASP A 71 15.814 -8.633 -0.711 1.00 11.43 O ATOM 1190 OD2 ASP A 71 15.447 -8.890 1.433 1.00 33.22 O ATOM 0 H ASP A 71 13.238 -4.892 0.304 1.00 75.24 H new ATOM 0 HA ASP A 71 13.461 -7.191 -1.368 1.00 43.32 H new ATOM 0 HB2 ASP A 71 15.305 -6.129 -0.024 1.00 3.54 H new ATOM 0 HB3 ASP A 71 14.486 -6.596 1.454 1.00 3.54 H new ATOM 1195 N ARG A 72 11.380 -7.472 1.081 1.00 74.51 N ATOM 1196 CA ARG A 72 10.443 -8.385 1.760 1.00 44.14 C ATOM 1197 C ARG A 72 8.976 -8.138 1.352 1.00 20.43 C ATOM 1198 O ARG A 72 8.064 -8.733 1.926 1.00 44.24 O ATOM 1199 CB ARG A 72 10.604 -8.259 3.287 1.00 40.41 C ATOM 1200 CG ARG A 72 10.453 -6.833 3.811 1.00 74.22 C ATOM 1201 CD ARG A 72 10.661 -6.747 5.322 1.00 61.31 C ATOM 1202 NE ARG A 72 9.638 -7.479 6.064 1.00 51.50 N ATOM 1203 CZ ARG A 72 9.598 -7.573 7.369 1.00 3.25 C ATOM 1204 NH1 ARG A 72 10.511 -7.014 8.108 1.00 41.13 N ATOM 1205 NH2 ARG A 72 8.645 -8.239 7.932 1.00 54.23 N ATOM 0 H ARG A 72 11.216 -6.483 1.267 1.00 74.51 H new ATOM 0 HA ARG A 72 10.691 -9.399 1.447 1.00 44.14 H new ATOM 0 HB2 ARG A 72 9.864 -8.894 3.774 1.00 40.41 H new ATOM 0 HB3 ARG A 72 11.586 -8.638 3.571 1.00 40.41 H new ATOM 0 HG2 ARG A 72 11.173 -6.186 3.310 1.00 74.22 H new ATOM 0 HG3 ARG A 72 9.460 -6.459 3.561 1.00 74.22 H new ATOM 0 HD2 ARG A 72 11.644 -7.144 5.575 1.00 61.31 H new ATOM 0 HD3 ARG A 72 10.651 -5.701 5.629 1.00 61.31 H new ATOM 0 HE ARG A 72 8.906 -7.948 5.530 1.00 51.50 H new ATOM 0 HH11 ARG A 72 11.272 -6.493 7.672 1.00 41.13 H new ATOM 0 HH12 ARG A 72 10.466 -7.096 9.124 1.00 41.13 H new ATOM 0 HH21 ARG A 72 7.929 -8.688 7.360 1.00 54.23 H new ATOM 0 HH22 ARG A 72 8.608 -8.316 8.948 1.00 54.23 H new ATOM 1219 N PHE A 73 8.751 -7.274 0.357 1.00 64.32 N ATOM 1220 CA PHE A 73 7.382 -6.958 -0.101 1.00 13.12 C ATOM 1221 C PHE A 73 7.270 -6.797 -1.630 1.00 35.11 C ATOM 1222 O PHE A 73 6.186 -6.527 -2.140 1.00 55.13 O ATOM 1223 CB PHE A 73 6.873 -5.678 0.577 1.00 34.24 C ATOM 1224 CG PHE A 73 6.314 -5.893 1.964 1.00 73.42 C ATOM 1225 CD1 PHE A 73 5.001 -6.307 2.138 1.00 33.13 C ATOM 1226 CD2 PHE A 73 7.095 -5.679 3.091 1.00 2.03 C ATOM 1227 CE1 PHE A 73 4.481 -6.506 3.402 1.00 75.32 C ATOM 1228 CE2 PHE A 73 6.579 -5.875 4.359 1.00 14.31 C ATOM 1229 CZ PHE A 73 5.269 -6.290 4.514 1.00 14.00 C ATOM 0 H PHE A 73 9.488 -6.781 -0.147 1.00 64.32 H new ATOM 0 HA PHE A 73 6.766 -7.812 0.182 1.00 13.12 H new ATOM 0 HB2 PHE A 73 7.691 -4.960 0.634 1.00 34.24 H new ATOM 0 HB3 PHE A 73 6.101 -5.231 -0.049 1.00 34.24 H new ATOM 0 HD1 PHE A 73 4.377 -6.476 1.273 1.00 33.13 H new ATOM 0 HD2 PHE A 73 8.119 -5.355 2.976 1.00 2.03 H new ATOM 0 HE1 PHE A 73 3.458 -6.831 3.520 1.00 75.32 H new ATOM 0 HE2 PHE A 73 7.198 -5.704 5.227 1.00 14.31 H new ATOM 0 HZ PHE A 73 4.864 -6.445 5.503 1.00 14.00 H new ATOM 1239 N ASP A 74 8.375 -6.961 -2.355 1.00 62.11 N ATOM 1240 CA ASP A 74 8.376 -6.820 -3.824 1.00 44.11 C ATOM 1241 C ASP A 74 7.300 -7.698 -4.502 1.00 23.52 C ATOM 1242 O ASP A 74 6.865 -7.416 -5.623 1.00 50.13 O ATOM 1243 CB ASP A 74 9.759 -7.171 -4.384 1.00 71.14 C ATOM 1244 CG ASP A 74 10.123 -8.623 -4.143 1.00 62.52 C ATOM 1245 OD1 ASP A 74 10.569 -8.949 -3.026 1.00 43.24 O ATOM 1246 OD2 ASP A 74 9.945 -9.452 -5.063 1.00 23.45 O ATOM 0 H ASP A 74 9.285 -7.192 -1.956 1.00 62.11 H new ATOM 0 HA ASP A 74 8.137 -5.780 -4.047 1.00 44.11 H new ATOM 0 HB2 ASP A 74 9.778 -6.966 -5.454 1.00 71.14 H new ATOM 0 HB3 ASP A 74 10.509 -6.529 -3.923 1.00 71.14 H new ATOM 1251 N GLY A 75 6.890 -8.763 -3.819 1.00 13.33 N ATOM 1252 CA GLY A 75 5.875 -9.669 -4.344 1.00 14.40 C ATOM 1253 C GLY A 75 5.193 -10.465 -3.238 1.00 13.41 C ATOM 1254 O GLY A 75 5.207 -11.700 -3.240 1.00 1.33 O ATOM 0 H GLY A 75 7.247 -9.020 -2.898 1.00 13.33 H new ATOM 0 HA2 GLY A 75 5.127 -9.097 -4.893 1.00 14.40 H new ATOM 0 HA3 GLY A 75 6.335 -10.356 -5.054 1.00 14.40 H new ATOM 1258 N TYR A 76 4.594 -9.751 -2.287 1.00 51.24 N ATOM 1259 CA TYR A 76 3.958 -10.366 -1.116 1.00 61.53 C ATOM 1260 C TYR A 76 2.490 -10.741 -1.391 1.00 31.33 C ATOM 1261 O TYR A 76 1.693 -9.910 -1.814 1.00 31.22 O ATOM 1262 CB TYR A 76 4.078 -9.397 0.076 1.00 73.55 C ATOM 1263 CG TYR A 76 2.969 -9.496 1.112 1.00 65.42 C ATOM 1264 CD1 TYR A 76 2.873 -10.581 1.979 1.00 30.11 C ATOM 1265 CD2 TYR A 76 2.018 -8.490 1.218 1.00 34.25 C ATOM 1266 CE1 TYR A 76 1.863 -10.653 2.918 1.00 54.24 C ATOM 1267 CE2 TYR A 76 1.011 -8.554 2.152 1.00 64.13 C ATOM 1268 CZ TYR A 76 0.934 -9.637 3.001 1.00 31.03 C ATOM 1269 OH TYR A 76 -0.073 -9.702 3.937 1.00 5.12 O ATOM 0 H TYR A 76 4.534 -8.733 -2.303 1.00 51.24 H new ATOM 0 HA TYR A 76 4.471 -11.299 -0.881 1.00 61.53 H new ATOM 0 HB2 TYR A 76 5.032 -9.575 0.572 1.00 73.55 H new ATOM 0 HB3 TYR A 76 4.103 -8.377 -0.308 1.00 73.55 H new ATOM 0 HD1 TYR A 76 3.599 -11.378 1.916 1.00 30.11 H new ATOM 0 HD2 TYR A 76 2.070 -7.640 0.554 1.00 34.25 H new ATOM 0 HE1 TYR A 76 1.801 -11.501 3.584 1.00 54.24 H new ATOM 0 HE2 TYR A 76 0.283 -7.759 2.220 1.00 64.13 H new ATOM 0 HH TYR A 76 -0.641 -8.907 3.862 1.00 5.12 H new ATOM 1279 N ILE A 77 2.138 -12.001 -1.137 1.00 14.25 N ATOM 1280 CA ILE A 77 0.773 -12.488 -1.364 1.00 44.20 C ATOM 1281 C ILE A 77 -0.038 -12.517 -0.061 1.00 42.41 C ATOM 1282 O ILE A 77 0.366 -13.137 0.925 1.00 52.12 O ATOM 1283 CB ILE A 77 0.780 -13.906 -1.993 1.00 5.45 C ATOM 1284 CG1 ILE A 77 1.449 -13.880 -3.377 1.00 74.02 C ATOM 1285 CG2 ILE A 77 -0.641 -14.471 -2.091 1.00 43.33 C ATOM 1286 CD1 ILE A 77 0.716 -13.034 -4.397 1.00 45.31 C ATOM 0 H ILE A 77 2.779 -12.706 -0.773 1.00 14.25 H new ATOM 0 HA ILE A 77 0.302 -11.791 -2.057 1.00 44.20 H new ATOM 0 HB ILE A 77 1.359 -14.561 -1.342 1.00 5.45 H new ATOM 0 HG12 ILE A 77 2.466 -13.503 -3.271 1.00 74.02 H new ATOM 0 HG13 ILE A 77 1.524 -14.900 -3.753 1.00 74.02 H new ATOM 0 HG21 ILE A 77 -0.607 -15.466 -2.535 1.00 43.33 H new ATOM 0 HG22 ILE A 77 -1.077 -14.534 -1.094 1.00 43.33 H new ATOM 0 HG23 ILE A 77 -1.251 -13.816 -2.713 1.00 43.33 H new ATOM 0 HD11 ILE A 77 1.249 -13.066 -5.347 1.00 45.31 H new ATOM 0 HD12 ILE A 77 -0.293 -13.422 -4.534 1.00 45.31 H new ATOM 0 HD13 ILE A 77 0.664 -12.004 -4.045 1.00 45.31 H new ATOM 1298 N PHE A 78 -1.174 -11.829 -0.069 1.00 4.11 N ATOM 1299 CA PHE A 78 -2.106 -11.837 1.062 1.00 32.11 C ATOM 1300 C PHE A 78 -3.437 -12.497 0.663 1.00 3.43 C ATOM 1301 O PHE A 78 -4.009 -12.179 -0.380 1.00 44.20 O ATOM 1302 CB PHE A 78 -2.334 -10.399 1.554 1.00 12.44 C ATOM 1303 CG PHE A 78 -3.356 -10.276 2.663 1.00 4.15 C ATOM 1304 CD1 PHE A 78 -3.060 -10.702 3.954 1.00 34.40 C ATOM 1305 CD2 PHE A 78 -4.611 -9.729 2.416 1.00 61.45 C ATOM 1306 CE1 PHE A 78 -3.993 -10.587 4.968 1.00 52.24 C ATOM 1307 CE2 PHE A 78 -5.544 -9.615 3.429 1.00 73.01 C ATOM 1308 CZ PHE A 78 -5.235 -10.043 4.706 1.00 74.32 C ATOM 0 H PHE A 78 -1.478 -11.252 -0.853 1.00 4.11 H new ATOM 0 HA PHE A 78 -1.675 -12.422 1.874 1.00 32.11 H new ATOM 0 HB2 PHE A 78 -1.385 -9.992 1.903 1.00 12.44 H new ATOM 0 HB3 PHE A 78 -2.653 -9.785 0.712 1.00 12.44 H new ATOM 0 HD1 PHE A 78 -2.090 -11.127 4.167 1.00 34.40 H new ATOM 0 HD2 PHE A 78 -4.859 -9.390 1.421 1.00 61.45 H new ATOM 0 HE1 PHE A 78 -3.750 -10.923 5.965 1.00 52.24 H new ATOM 0 HE2 PHE A 78 -6.516 -9.191 3.222 1.00 73.01 H new ATOM 0 HZ PHE A 78 -5.964 -9.952 5.498 1.00 74.32 H new ATOM 1318 N LEU A 79 -3.918 -13.425 1.490 1.00 62.15 N ATOM 1319 CA LEU A 79 -5.154 -14.164 1.192 1.00 32.32 C ATOM 1320 C LEU A 79 -6.283 -13.832 2.183 1.00 33.34 C ATOM 1321 O LEU A 79 -6.111 -13.916 3.400 1.00 65.12 O ATOM 1322 CB LEU A 79 -4.873 -15.674 1.201 1.00 43.11 C ATOM 1323 CG LEU A 79 -3.980 -16.181 0.054 1.00 13.23 C ATOM 1324 CD1 LEU A 79 -3.557 -17.627 0.292 1.00 23.42 C ATOM 1325 CD2 LEU A 79 -4.705 -16.048 -1.284 1.00 12.42 C ATOM 0 H LEU A 79 -3.475 -13.686 2.371 1.00 62.15 H new ATOM 0 HA LEU A 79 -5.490 -13.857 0.202 1.00 32.32 H new ATOM 0 HB2 LEU A 79 -4.402 -15.934 2.149 1.00 43.11 H new ATOM 0 HB3 LEU A 79 -5.824 -16.205 1.161 1.00 43.11 H new ATOM 0 HG LEU A 79 -3.081 -15.566 0.025 1.00 13.23 H new ATOM 0 HD11 LEU A 79 -2.927 -17.962 -0.532 1.00 23.42 H new ATOM 0 HD12 LEU A 79 -2.999 -17.694 1.226 1.00 23.42 H new ATOM 0 HD13 LEU A 79 -4.442 -18.260 0.352 1.00 23.42 H new ATOM 0 HD21 LEU A 79 -4.060 -16.411 -2.085 1.00 12.42 H new ATOM 0 HD22 LEU A 79 -5.622 -16.637 -1.261 1.00 12.42 H new ATOM 0 HD23 LEU A 79 -4.951 -15.001 -1.462 1.00 12.42 H new ATOM 1337 N ASP A 80 -7.441 -13.461 1.640 1.00 52.22 N ATOM 1338 CA ASP A 80 -8.638 -13.181 2.442 1.00 11.23 C ATOM 1339 C ASP A 80 -9.415 -14.484 2.725 1.00 54.43 C ATOM 1340 O ASP A 80 -9.097 -15.536 2.166 1.00 63.41 O ATOM 1341 CB ASP A 80 -9.520 -12.171 1.688 1.00 42.14 C ATOM 1342 CG ASP A 80 -10.757 -11.758 2.468 1.00 54.43 C ATOM 1343 OD1 ASP A 80 -10.680 -10.786 3.243 1.00 50.21 O ATOM 1344 OD2 ASP A 80 -11.806 -12.416 2.315 1.00 51.32 O ATOM 0 H ASP A 80 -7.579 -13.345 0.636 1.00 52.22 H new ATOM 0 HA ASP A 80 -8.344 -12.755 3.401 1.00 11.23 H new ATOM 0 HB2 ASP A 80 -8.930 -11.284 1.458 1.00 42.14 H new ATOM 0 HB3 ASP A 80 -9.826 -12.605 0.736 1.00 42.14 H new ATOM 1349 N SER A 81 -10.433 -14.416 3.585 1.00 72.34 N ATOM 1350 CA SER A 81 -11.280 -15.585 3.883 1.00 44.52 C ATOM 1351 C SER A 81 -11.959 -16.126 2.616 1.00 72.22 C ATOM 1352 O SER A 81 -12.199 -17.325 2.489 1.00 10.23 O ATOM 1353 CB SER A 81 -12.351 -15.229 4.923 1.00 40.15 C ATOM 1354 OG SER A 81 -11.764 -14.784 6.139 1.00 74.52 O ATOM 0 H SER A 81 -10.695 -13.569 4.089 1.00 72.34 H new ATOM 0 HA SER A 81 -10.628 -16.360 4.286 1.00 44.52 H new ATOM 0 HB2 SER A 81 -13.002 -14.451 4.525 1.00 40.15 H new ATOM 0 HB3 SER A 81 -12.977 -16.100 5.116 1.00 40.15 H new ATOM 0 HG SER A 81 -12.470 -14.563 6.781 1.00 74.52 H new ATOM 1360 N LYS A 82 -12.258 -15.233 1.672 1.00 22.13 N ATOM 1361 CA LYS A 82 -12.862 -15.625 0.392 1.00 55.21 C ATOM 1362 C LYS A 82 -11.848 -16.349 -0.518 1.00 3.14 C ATOM 1363 O LYS A 82 -12.201 -16.837 -1.590 1.00 4.25 O ATOM 1364 CB LYS A 82 -13.415 -14.390 -0.335 1.00 52.15 C ATOM 1365 CG LYS A 82 -14.417 -13.572 0.480 1.00 60.44 C ATOM 1366 CD LYS A 82 -15.663 -14.375 0.845 1.00 63.32 C ATOM 1367 CE LYS A 82 -16.703 -13.513 1.562 1.00 64.33 C ATOM 1368 NZ LYS A 82 -16.187 -12.949 2.839 1.00 13.51 N ATOM 0 H LYS A 82 -12.093 -14.231 1.767 1.00 22.13 H new ATOM 0 HA LYS A 82 -13.676 -16.316 0.612 1.00 55.21 H new ATOM 0 HB2 LYS A 82 -12.582 -13.746 -0.616 1.00 52.15 H new ATOM 0 HB3 LYS A 82 -13.894 -14.712 -1.259 1.00 52.15 H new ATOM 0 HG2 LYS A 82 -13.936 -13.218 1.392 1.00 60.44 H new ATOM 0 HG3 LYS A 82 -14.710 -12.690 -0.089 1.00 60.44 H new ATOM 0 HD2 LYS A 82 -16.101 -14.797 -0.059 1.00 63.32 H new ATOM 0 HD3 LYS A 82 -15.382 -15.212 1.484 1.00 63.32 H new ATOM 0 HE2 LYS A 82 -17.011 -12.699 0.906 1.00 64.33 H new ATOM 0 HE3 LYS A 82 -17.591 -14.112 1.765 1.00 64.33 H new ATOM 0 HZ1 LYS A 82 -16.960 -12.472 3.346 1.00 13.51 H new ATOM 0 HZ2 LYS A 82 -15.808 -13.717 3.429 1.00 13.51 H new ATOM 0 HZ3 LYS A 82 -15.432 -12.263 2.636 1.00 13.51 H new ATOM 1382 N GLY A 83 -10.589 -16.412 -0.080 1.00 52.52 N ATOM 1383 CA GLY A 83 -9.541 -17.059 -0.866 1.00 4.30 C ATOM 1384 C GLY A 83 -9.159 -16.275 -2.119 1.00 55.04 C ATOM 1385 O GLY A 83 -9.045 -16.838 -3.211 1.00 33.05 O ATOM 0 H GLY A 83 -10.273 -16.025 0.809 1.00 52.52 H new ATOM 0 HA2 GLY A 83 -8.656 -17.189 -0.243 1.00 4.30 H new ATOM 0 HA3 GLY A 83 -9.876 -18.055 -1.156 1.00 4.30 H new ATOM 1389 N LEU A 84 -8.971 -14.968 -1.961 1.00 34.31 N ATOM 1390 CA LEU A 84 -8.564 -14.100 -3.071 1.00 63.34 C ATOM 1391 C LEU A 84 -7.098 -13.668 -2.921 1.00 65.44 C ATOM 1392 O LEU A 84 -6.713 -13.101 -1.899 1.00 15.44 O ATOM 1393 CB LEU A 84 -9.472 -12.862 -3.136 1.00 62.34 C ATOM 1394 CG LEU A 84 -10.969 -13.153 -3.342 1.00 71.24 C ATOM 1395 CD1 LEU A 84 -11.774 -11.855 -3.378 1.00 23.54 C ATOM 1396 CD2 LEU A 84 -11.194 -13.961 -4.620 1.00 30.13 C ATOM 0 H LEU A 84 -9.094 -14.481 -1.073 1.00 34.31 H new ATOM 0 HA LEU A 84 -8.662 -14.665 -3.998 1.00 63.34 H new ATOM 0 HB2 LEU A 84 -9.353 -12.296 -2.212 1.00 62.34 H new ATOM 0 HB3 LEU A 84 -9.128 -12.222 -3.949 1.00 62.34 H new ATOM 0 HG LEU A 84 -11.317 -13.747 -2.497 1.00 71.24 H new ATOM 0 HD11 LEU A 84 -12.829 -12.085 -3.525 1.00 23.54 H new ATOM 0 HD12 LEU A 84 -11.646 -11.321 -2.436 1.00 23.54 H new ATOM 0 HD13 LEU A 84 -11.421 -11.231 -4.199 1.00 23.54 H new ATOM 0 HD21 LEU A 84 -12.259 -14.155 -4.745 1.00 30.13 H new ATOM 0 HD22 LEU A 84 -10.825 -13.397 -5.477 1.00 30.13 H new ATOM 0 HD23 LEU A 84 -10.659 -14.908 -4.551 1.00 30.13 H new ATOM 1408 N GLU A 85 -6.286 -13.955 -3.937 1.00 42.52 N ATOM 1409 CA GLU A 85 -4.867 -13.570 -3.940 1.00 12.13 C ATOM 1410 C GLU A 85 -4.681 -12.055 -4.132 1.00 45.02 C ATOM 1411 O GLU A 85 -4.999 -11.512 -5.191 1.00 71.42 O ATOM 1412 CB GLU A 85 -4.115 -14.312 -5.056 1.00 13.51 C ATOM 1413 CG GLU A 85 -4.001 -15.818 -4.851 1.00 44.20 C ATOM 1414 CD GLU A 85 -3.316 -16.518 -6.017 1.00 15.11 C ATOM 1415 OE1 GLU A 85 -2.251 -16.038 -6.465 1.00 52.52 O ATOM 1416 OE2 GLU A 85 -3.850 -17.540 -6.502 1.00 32.21 O ATOM 0 H GLU A 85 -6.584 -14.455 -4.775 1.00 42.52 H new ATOM 0 HA GLU A 85 -4.460 -13.845 -2.967 1.00 12.13 H new ATOM 0 HB2 GLU A 85 -4.620 -14.125 -6.003 1.00 13.51 H new ATOM 0 HB3 GLU A 85 -3.112 -13.893 -5.141 1.00 13.51 H new ATOM 0 HG2 GLU A 85 -3.443 -16.015 -3.935 1.00 44.20 H new ATOM 0 HG3 GLU A 85 -4.997 -16.239 -4.714 1.00 44.20 H new ATOM 1423 N TYR A 86 -4.172 -11.378 -3.108 1.00 54.11 N ATOM 1424 CA TYR A 86 -3.798 -9.964 -3.225 1.00 55.04 C ATOM 1425 C TYR A 86 -2.271 -9.823 -3.346 1.00 41.03 C ATOM 1426 O TYR A 86 -1.552 -9.896 -2.346 1.00 63.50 O ATOM 1427 CB TYR A 86 -4.318 -9.171 -2.019 1.00 65.41 C ATOM 1428 CG TYR A 86 -5.831 -9.213 -1.882 1.00 44.24 C ATOM 1429 CD1 TYR A 86 -6.644 -8.410 -2.679 1.00 44.53 C ATOM 1430 CD2 TYR A 86 -6.445 -10.060 -0.965 1.00 34.33 C ATOM 1431 CE1 TYR A 86 -8.022 -8.454 -2.564 1.00 14.33 C ATOM 1432 CE2 TYR A 86 -7.820 -10.106 -0.847 1.00 22.52 C ATOM 1433 CZ TYR A 86 -8.603 -9.303 -1.645 1.00 24.01 C ATOM 1434 OH TYR A 86 -9.974 -9.352 -1.525 1.00 74.22 O ATOM 0 H TYR A 86 -4.007 -11.781 -2.186 1.00 54.11 H new ATOM 0 HA TYR A 86 -4.255 -9.557 -4.127 1.00 55.04 H new ATOM 0 HB2 TYR A 86 -3.866 -9.567 -1.110 1.00 65.41 H new ATOM 0 HB3 TYR A 86 -3.996 -8.133 -2.109 1.00 65.41 H new ATOM 0 HD1 TYR A 86 -6.192 -7.743 -3.398 1.00 44.53 H new ATOM 0 HD2 TYR A 86 -5.836 -10.692 -0.335 1.00 34.33 H new ATOM 0 HE1 TYR A 86 -8.639 -7.827 -3.190 1.00 14.33 H new ATOM 0 HE2 TYR A 86 -8.280 -10.770 -0.130 1.00 22.52 H new ATOM 0 HH TYR A 86 -10.219 -10.002 -0.833 1.00 74.22 H new ATOM 1444 N PRO A 87 -1.752 -9.658 -4.582 1.00 52.13 N ATOM 1445 CA PRO A 87 -0.310 -9.578 -4.831 1.00 4.55 C ATOM 1446 C PRO A 87 0.269 -8.161 -4.663 1.00 65.44 C ATOM 1447 O PRO A 87 0.115 -7.299 -5.530 1.00 31.32 O ATOM 1448 CB PRO A 87 -0.199 -10.051 -6.284 1.00 63.24 C ATOM 1449 CG PRO A 87 -1.474 -9.608 -6.928 1.00 24.44 C ATOM 1450 CD PRO A 87 -2.527 -9.552 -5.838 1.00 55.23 C ATOM 0 HA PRO A 87 0.261 -10.172 -4.117 1.00 4.55 H new ATOM 0 HB2 PRO A 87 0.667 -9.611 -6.778 1.00 63.24 H new ATOM 0 HB3 PRO A 87 -0.083 -11.133 -6.340 1.00 63.24 H new ATOM 0 HG2 PRO A 87 -1.351 -8.631 -7.395 1.00 24.44 H new ATOM 0 HG3 PRO A 87 -1.770 -10.302 -7.714 1.00 24.44 H new ATOM 0 HD2 PRO A 87 -3.094 -8.622 -5.879 1.00 55.23 H new ATOM 0 HD3 PRO A 87 -3.244 -10.367 -5.934 1.00 55.23 H new ATOM 1458 N ALA A 88 0.923 -7.932 -3.531 1.00 62.43 N ATOM 1459 CA ALA A 88 1.610 -6.670 -3.272 1.00 31.42 C ATOM 1460 C ALA A 88 2.930 -6.593 -4.051 1.00 33.22 C ATOM 1461 O ALA A 88 3.945 -7.143 -3.628 1.00 74.23 O ATOM 1462 CB ALA A 88 1.860 -6.515 -1.777 1.00 70.45 C ATOM 0 H ALA A 88 0.993 -8.609 -2.771 1.00 62.43 H new ATOM 0 HA ALA A 88 0.975 -5.852 -3.612 1.00 31.42 H new ATOM 0 HB1 ALA A 88 2.373 -5.572 -1.590 1.00 70.45 H new ATOM 0 HB2 ALA A 88 0.908 -6.522 -1.246 1.00 70.45 H new ATOM 0 HB3 ALA A 88 2.478 -7.340 -1.424 1.00 70.45 H new ATOM 1468 N VAL A 89 2.897 -5.943 -5.210 1.00 11.13 N ATOM 1469 CA VAL A 89 4.097 -5.771 -6.033 1.00 33.13 C ATOM 1470 C VAL A 89 4.704 -4.372 -5.831 1.00 11.42 C ATOM 1471 O VAL A 89 4.234 -3.384 -6.402 1.00 53.53 O ATOM 1472 CB VAL A 89 3.783 -5.989 -7.534 1.00 32.14 C ATOM 1473 CG1 VAL A 89 5.058 -5.903 -8.372 1.00 10.13 C ATOM 1474 CG2 VAL A 89 3.075 -7.328 -7.750 1.00 61.42 C ATOM 0 H VAL A 89 2.054 -5.525 -5.604 1.00 11.13 H new ATOM 0 HA VAL A 89 4.820 -6.522 -5.715 1.00 33.13 H new ATOM 0 HB VAL A 89 3.111 -5.196 -7.861 1.00 32.14 H new ATOM 0 HG11 VAL A 89 4.814 -6.059 -9.423 1.00 10.13 H new ATOM 0 HG12 VAL A 89 5.510 -4.919 -8.247 1.00 10.13 H new ATOM 0 HG13 VAL A 89 5.761 -6.669 -8.045 1.00 10.13 H new ATOM 0 HG21 VAL A 89 2.864 -7.461 -8.811 1.00 61.42 H new ATOM 0 HG22 VAL A 89 3.716 -8.139 -7.403 1.00 61.42 H new ATOM 0 HG23 VAL A 89 2.140 -7.340 -7.190 1.00 61.42 H new ATOM 1484 N VAL A 90 5.738 -4.296 -5.001 1.00 73.31 N ATOM 1485 CA VAL A 90 6.381 -3.019 -4.670 1.00 21.40 C ATOM 1486 C VAL A 90 7.491 -2.650 -5.673 1.00 45.15 C ATOM 1487 O VAL A 90 8.270 -3.504 -6.101 1.00 72.33 O ATOM 1488 CB VAL A 90 6.971 -3.061 -3.235 1.00 35.41 C ATOM 1489 CG1 VAL A 90 7.642 -1.739 -2.873 1.00 30.01 C ATOM 1490 CG2 VAL A 90 5.885 -3.408 -2.221 1.00 74.31 C ATOM 0 H VAL A 90 6.154 -5.105 -4.540 1.00 73.31 H new ATOM 0 HA VAL A 90 5.609 -2.252 -4.726 1.00 21.40 H new ATOM 0 HB VAL A 90 7.733 -3.839 -3.208 1.00 35.41 H new ATOM 0 HG11 VAL A 90 8.045 -1.800 -1.862 1.00 30.01 H new ATOM 0 HG12 VAL A 90 8.451 -1.538 -3.575 1.00 30.01 H new ATOM 0 HG13 VAL A 90 6.909 -0.933 -2.923 1.00 30.01 H new ATOM 0 HG21 VAL A 90 6.316 -3.433 -1.220 1.00 74.31 H new ATOM 0 HG22 VAL A 90 5.098 -2.655 -2.258 1.00 74.31 H new ATOM 0 HG23 VAL A 90 5.464 -4.385 -2.459 1.00 74.31 H new ATOM 1500 N GLU A 91 7.558 -1.368 -6.039 1.00 14.34 N ATOM 1501 CA GLU A 91 8.581 -0.865 -6.968 1.00 13.13 C ATOM 1502 C GLU A 91 8.862 0.626 -6.732 1.00 73.13 C ATOM 1503 O GLU A 91 8.063 1.329 -6.117 1.00 4.11 O ATOM 1504 CB GLU A 91 8.148 -1.092 -8.423 1.00 33.04 C ATOM 1505 CG GLU A 91 6.795 -0.474 -8.772 1.00 35.22 C ATOM 1506 CD GLU A 91 6.421 -0.647 -10.235 1.00 2.32 C ATOM 1507 OE1 GLU A 91 6.901 -1.613 -10.870 1.00 30.43 O ATOM 1508 OE2 GLU A 91 5.644 0.182 -10.761 1.00 11.10 O ATOM 0 H GLU A 91 6.912 -0.652 -5.705 1.00 14.34 H new ATOM 0 HA GLU A 91 9.500 -1.421 -6.780 1.00 13.13 H new ATOM 0 HB2 GLU A 91 8.907 -0.677 -9.086 1.00 33.04 H new ATOM 0 HB3 GLU A 91 8.107 -2.164 -8.616 1.00 33.04 H new ATOM 0 HG2 GLU A 91 6.024 -0.928 -8.150 1.00 35.22 H new ATOM 0 HG3 GLU A 91 6.815 0.589 -8.531 1.00 35.22 H new ATOM 1515 N PHE A 92 10.000 1.106 -7.228 1.00 64.12 N ATOM 1516 CA PHE A 92 10.415 2.500 -7.010 1.00 41.33 C ATOM 1517 C PHE A 92 9.635 3.487 -7.897 1.00 21.35 C ATOM 1518 O PHE A 92 9.113 3.122 -8.950 1.00 53.20 O ATOM 1519 CB PHE A 92 11.921 2.657 -7.272 1.00 12.45 C ATOM 1520 CG PHE A 92 12.321 2.417 -8.710 1.00 65.23 C ATOM 1521 CD1 PHE A 92 12.492 1.126 -9.192 1.00 64.22 C ATOM 1522 CD2 PHE A 92 12.524 3.483 -9.579 1.00 23.32 C ATOM 1523 CE1 PHE A 92 12.858 0.904 -10.505 1.00 75.11 C ATOM 1524 CE2 PHE A 92 12.889 3.264 -10.893 1.00 10.35 C ATOM 1525 CZ PHE A 92 13.056 1.974 -11.357 1.00 42.12 C ATOM 0 H PHE A 92 10.654 0.555 -7.784 1.00 64.12 H new ATOM 0 HA PHE A 92 10.193 2.738 -5.970 1.00 41.33 H new ATOM 0 HB2 PHE A 92 12.227 3.662 -6.983 1.00 12.45 H new ATOM 0 HB3 PHE A 92 12.465 1.962 -6.633 1.00 12.45 H new ATOM 0 HD1 PHE A 92 12.337 0.285 -8.532 1.00 64.22 H new ATOM 0 HD2 PHE A 92 12.395 4.494 -9.222 1.00 23.32 H new ATOM 0 HE1 PHE A 92 12.989 -0.105 -10.866 1.00 75.11 H new ATOM 0 HE2 PHE A 92 13.044 4.101 -11.557 1.00 10.35 H new ATOM 0 HZ PHE A 92 13.341 1.802 -12.384 1.00 42.12 H new ATOM 1535 N ALA A 93 9.576 4.743 -7.461 1.00 3.22 N ATOM 1536 CA ALA A 93 8.947 5.816 -8.241 1.00 74.01 C ATOM 1537 C ALA A 93 10.000 6.602 -9.044 1.00 31.10 C ATOM 1538 O ALA A 93 10.892 7.227 -8.464 1.00 23.13 O ATOM 1539 CB ALA A 93 8.169 6.752 -7.318 1.00 24.41 C ATOM 0 H ALA A 93 9.958 5.048 -6.566 1.00 3.22 H new ATOM 0 HA ALA A 93 8.252 5.364 -8.949 1.00 74.01 H new ATOM 0 HB1 ALA A 93 7.707 7.544 -7.908 1.00 24.41 H new ATOM 0 HB2 ALA A 93 7.395 6.189 -6.797 1.00 24.41 H new ATOM 0 HB3 ALA A 93 8.849 7.193 -6.589 1.00 24.41 H new ATOM 1545 N PRO A 94 9.919 6.568 -10.390 1.00 72.41 N ATOM 1546 CA PRO A 94 10.889 7.252 -11.269 1.00 43.40 C ATOM 1547 C PRO A 94 10.993 8.769 -11.011 1.00 23.13 C ATOM 1548 O PRO A 94 10.010 9.505 -11.129 1.00 71.43 O ATOM 1549 CB PRO A 94 10.345 6.980 -12.683 1.00 12.23 C ATOM 1550 CG PRO A 94 9.502 5.758 -12.537 1.00 52.13 C ATOM 1551 CD PRO A 94 8.889 5.850 -11.167 1.00 22.41 C ATOM 0 HA PRO A 94 11.901 6.883 -11.101 1.00 43.40 H new ATOM 0 HB2 PRO A 94 9.760 7.823 -13.051 1.00 12.23 H new ATOM 0 HB3 PRO A 94 11.155 6.819 -13.395 1.00 12.23 H new ATOM 0 HG2 PRO A 94 8.733 5.718 -13.308 1.00 52.13 H new ATOM 0 HG3 PRO A 94 10.102 4.854 -12.638 1.00 52.13 H new ATOM 0 HD2 PRO A 94 7.944 6.393 -11.183 1.00 22.41 H new ATOM 0 HD3 PRO A 94 8.683 4.864 -10.750 1.00 22.41 H new ATOM 1559 N PHE A 95 12.195 9.228 -10.654 1.00 14.12 N ATOM 1560 CA PHE A 95 12.461 10.661 -10.475 1.00 1.50 C ATOM 1561 C PHE A 95 12.481 11.388 -11.832 1.00 23.55 C ATOM 1562 O PHE A 95 13.036 10.880 -12.810 1.00 14.20 O ATOM 1563 CB PHE A 95 13.792 10.876 -9.730 1.00 42.12 C ATOM 1564 CG PHE A 95 14.995 10.261 -10.412 1.00 33.11 C ATOM 1565 CD1 PHE A 95 15.326 8.928 -10.202 1.00 42.40 C ATOM 1566 CD2 PHE A 95 15.796 11.016 -11.263 1.00 33.50 C ATOM 1567 CE1 PHE A 95 16.424 8.365 -10.823 1.00 62.45 C ATOM 1568 CE2 PHE A 95 16.895 10.454 -11.885 1.00 21.33 C ATOM 1569 CZ PHE A 95 17.208 9.128 -11.665 1.00 11.24 C ATOM 0 H PHE A 95 13.002 8.628 -10.482 1.00 14.12 H new ATOM 0 HA PHE A 95 11.656 11.082 -9.874 1.00 1.50 H new ATOM 0 HB2 PHE A 95 13.962 11.947 -9.616 1.00 42.12 H new ATOM 0 HB3 PHE A 95 13.705 10.458 -8.727 1.00 42.12 H new ATOM 0 HD1 PHE A 95 14.717 8.324 -9.545 1.00 42.40 H new ATOM 0 HD2 PHE A 95 15.556 12.054 -11.440 1.00 33.50 H new ATOM 0 HE1 PHE A 95 16.669 7.328 -10.650 1.00 62.45 H new ATOM 0 HE2 PHE A 95 17.508 11.052 -12.543 1.00 21.33 H new ATOM 0 HZ PHE A 95 18.066 8.687 -12.151 1.00 11.24 H new ATOM 1579 N GLN A 96 11.886 12.577 -11.888 1.00 73.43 N ATOM 1580 CA GLN A 96 11.735 13.310 -13.153 1.00 45.44 C ATOM 1581 C GLN A 96 11.207 14.732 -12.916 1.00 4.01 C ATOM 1582 O GLN A 96 10.241 14.931 -12.173 1.00 3.52 O ATOM 1583 CB GLN A 96 10.783 12.540 -14.090 1.00 43.22 C ATOM 1584 CG GLN A 96 10.409 13.262 -15.387 1.00 52.24 C ATOM 1585 CD GLN A 96 11.607 13.616 -16.258 1.00 74.14 C ATOM 1586 OE1 GLN A 96 12.069 14.847 -16.164 1.00 23.22 O flip ATOM 1587 NE2 GLN A 96 12.081 12.802 -17.048 1.00 63.53 N flip ATOM 0 H GLN A 96 11.499 13.057 -11.076 1.00 73.43 H new ATOM 0 HA GLN A 96 12.717 13.392 -13.619 1.00 45.44 H new ATOM 0 HB2 GLN A 96 11.245 11.587 -14.346 1.00 43.22 H new ATOM 0 HB3 GLN A 96 9.867 12.314 -13.543 1.00 43.22 H new ATOM 0 HG2 GLN A 96 9.728 12.632 -15.960 1.00 52.24 H new ATOM 0 HG3 GLN A 96 9.867 14.175 -15.141 1.00 52.24 H new ATOM 0 HE21 GLN A 96 11.701 11.857 -17.096 1.00 63.53 H new ATOM 0 HE22 GLN A 96 12.855 13.072 -17.655 1.00 63.53 H new ATOM 1596 N LYS A 97 11.857 15.716 -13.540 1.00 50.31 N ATOM 1597 CA LYS A 97 11.371 17.101 -13.521 1.00 34.25 C ATOM 1598 C LYS A 97 10.028 17.233 -14.269 1.00 34.33 C ATOM 1599 O LYS A 97 8.986 17.439 -13.605 1.00 38.12 O ATOM 1600 CB LYS A 97 12.420 18.042 -14.135 1.00 71.14 C ATOM 1601 CG LYS A 97 13.705 18.156 -13.316 1.00 25.42 C ATOM 1602 CD LYS A 97 13.437 18.685 -11.907 1.00 5.13 C ATOM 1603 CE LYS A 97 14.730 18.910 -11.125 1.00 15.43 C ATOM 1604 NZ LYS A 97 15.585 19.953 -11.753 1.00 55.25 N ATOM 1605 OXT LYS A 97 10.019 17.098 -15.517 1.00 38.12 O ATOM 0 H LYS A 97 12.721 15.582 -14.065 1.00 50.31 H new ATOM 0 HA LYS A 97 11.205 17.386 -12.482 1.00 34.25 H new ATOM 0 HB2 LYS A 97 12.669 17.689 -15.136 1.00 71.14 H new ATOM 0 HB3 LYS A 97 11.983 19.034 -14.247 1.00 71.14 H new ATOM 0 HG2 LYS A 97 14.183 17.178 -13.252 1.00 25.42 H new ATOM 0 HG3 LYS A 97 14.403 18.819 -13.826 1.00 25.42 H new ATOM 0 HD2 LYS A 97 12.884 19.622 -11.971 1.00 5.13 H new ATOM 0 HD3 LYS A 97 12.806 17.978 -11.368 1.00 5.13 H new ATOM 0 HE2 LYS A 97 14.490 19.205 -10.103 1.00 15.43 H new ATOM 0 HE3 LYS A 97 15.285 17.974 -11.065 1.00 15.43 H new ATOM 0 HZ1 LYS A 97 16.314 20.258 -11.077 1.00 55.25 H new ATOM 0 HZ2 LYS A 97 16.041 19.563 -12.602 1.00 55.25 H new ATOM 0 HZ3 LYS A 97 14.998 20.769 -12.020 1.00 55.25 H new TER 1619 LYS A 97