USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 hydrogens (29 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 NoAdj-H: A 91 E2P HXT : A 91 E2P O20 : A 91 E2P C20 :(short bond) USER MOD Set 1.1: A 16 TYR OH : rot 63:sc= 0.85 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.11 X(o=-0.58,f=-0.72) USER MOD Set 1.3: A 72 LYS NZ :NH3+ 163:sc= 0.681 (180deg=0) USER MOD Set 2.1: A 59 HIS : no HD1:sc= -1.55 K(o=-4.4,f=-5.7!) USER MOD Set 2.2: A 60 ASN : amide:sc= -2.8 K(o=-4.4,f=-10!) USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.0109 X(o=-0.45,f=-0.47) USER MOD Set 3.2: A 37 GLN : amide:sc= -0.443 K(o=-0.45,f=-2.4!) USER MOD Set 4.1: A 1 ILE N :NH3+ 143:sc= 0.139 (180deg=0) USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 24 SER OG : rot 180:sc= -0.366 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ -113:sc= 0.695 (180deg=-0.317!) USER MOD Single : A 33 ASN : amide:sc= 0.0973 K(o=0.097,f=-2.3) USER MOD Single : A 35 HIS : no HE2:sc=-0.00181 K(o=-0.0018,f=-3.7!) USER MOD Single : A 36 ASN : amide:sc= -0.763 K(o=-0.76,f=-6.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 45 GLN : amide:sc= -1.08 K(o=-1.1,f=-7.8!) USER MOD Single : A 49 ASN : amide:sc= 0.652 K(o=0.65,f=-6.7!) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 2.16 (180deg=2.16) USER MOD Single : A 62 ASN : amide:sc= 0.0348 K(o=0.035,f=-7.7!) USER MOD Single : A 68 SER OG : rot 170:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.03) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 10:sc= 0.725 USER MOD Single : A 82 SER OG : rot -93:sc= 0.551 USER MOD Single : A 84 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.8!) USER MOD Single : A 88 SER OG : rot 81:sc= 0.0457 USER MOD Single : A 91 E2P O6 : rot -110:sc= -0.0899 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 14.388 1.399 -1.159 1.00 -0.46 N ATOM 2 CA ILE A 1 13.920 0.583 -2.293 1.00 0.04 C ATOM 3 C ILE A 1 13.617 1.492 -3.467 1.00 0.62 C ATOM 4 O ILE A 1 13.304 2.648 -3.233 1.00 -0.50 O ATOM 5 CB ILE A 1 12.700 -0.331 -1.927 1.00 -0.01 C ATOM 6 CG1 ILE A 1 12.666 -1.630 -2.793 1.00 -0.05 C ATOM 7 CG2 ILE A 1 11.345 0.433 -2.005 1.00 -0.09 C ATOM 8 CD1 ILE A 1 11.658 -2.688 -2.275 1.00 -0.09 C ATOM 0 H1 ILE A 1 14.022 1.001 -0.271 1.00 -0.46 H new ATOM 0 H2 ILE A 1 15.428 1.398 -1.136 1.00 -0.46 H new ATOM 0 H3 ILE A 1 14.046 2.375 -1.269 1.00 -0.46 H new ATOM 0 HA ILE A 1 14.718 -0.106 -2.569 1.00 0.04 H new ATOM 0 HB ILE A 1 12.841 -0.630 -0.888 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 12.410 -1.367 -3.819 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 13.663 -2.069 -2.815 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 10.531 -0.243 -1.743 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 11.359 1.271 -1.309 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 11.195 0.806 -3.018 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 11.686 -3.564 -2.922 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 11.926 -2.979 -1.259 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 10.653 -2.266 -2.279 1.00 -0.09 H new ATOM 22 N ASP A 2 13.691 1.048 -4.741 1.00 -0.46 N ATOM 23 CA ASP A 2 13.557 1.989 -5.860 1.00 0.04 C ATOM 24 C ASP A 2 12.152 2.520 -6.106 1.00 0.62 C ATOM 25 O ASP A 2 11.776 2.632 -7.262 1.00 -0.50 O ATOM 26 CB ASP A 2 14.147 1.338 -7.144 1.00 -0.40 C ATOM 27 CG ASP A 2 15.527 0.800 -6.875 1.00 0.71 C ATOM 28 OD1 ASP A 2 15.612 -0.245 -6.173 1.00 -0.72 O ATOM 29 OD2 ASP A 2 16.520 1.410 -7.353 1.00 -0.72 O ATOM 0 H ASP A 2 13.838 0.075 -5.009 1.00 -0.46 H new ATOM 0 HA ASP A 2 14.123 2.877 -5.579 1.00 0.04 H new ATOM 0 HB2 ASP A 2 13.496 0.532 -7.483 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 14.187 2.074 -7.947 1.00 -0.40 H new ATOM 34 N CYS A 3 11.345 2.883 -5.077 1.00 -0.46 N ATOM 35 CA CYS A 3 10.030 3.486 -5.325 1.00 0.04 C ATOM 36 C CYS A 3 9.310 2.743 -6.434 1.00 0.62 C ATOM 37 O CYS A 3 8.725 3.391 -7.288 1.00 -0.50 O ATOM 38 CB CYS A 3 10.315 4.979 -5.664 1.00 -0.10 C ATOM 39 SG CYS A 3 9.013 6.182 -5.229 1.00 0.82 S ATOM 0 H CYS A 3 11.583 2.768 -4.092 1.00 -0.46 H new ATOM 0 HA CYS A 3 9.364 3.422 -4.465 1.00 0.04 H new ATOM 0 HB2 CYS A 3 11.234 5.274 -5.157 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 10.504 5.055 -6.735 1.00 -0.10 H new ATOM 44 N GLY A 4 9.378 1.390 -6.457 1.00 -0.46 N ATOM 45 CA GLY A 4 8.994 0.661 -7.669 1.00 0.04 C ATOM 46 C GLY A 4 8.670 -0.801 -7.452 1.00 0.62 C ATOM 47 O GLY A 4 7.588 -1.222 -7.829 1.00 -0.50 O ATOM 0 H GLY A 4 9.684 0.808 -5.677 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 8.126 1.150 -8.111 1.00 0.04 H new ATOM 0 HA3 GLY A 4 9.805 0.736 -8.394 1.00 0.04 H new ATOM 51 N HIS A 5 9.558 -1.630 -6.857 1.00 -0.46 N ATOM 52 CA HIS A 5 9.171 -3.026 -6.629 1.00 0.04 C ATOM 53 C HIS A 5 7.904 -3.052 -5.796 1.00 0.62 C ATOM 54 O HIS A 5 6.982 -3.782 -6.123 1.00 -0.50 O ATOM 55 CB HIS A 5 10.308 -3.851 -5.974 1.00 -0.10 C ATOM 56 CG HIS A 5 9.927 -5.303 -5.821 1.00 0.06 C ATOM 57 ND1 HIS A 5 9.512 -6.092 -6.768 1.00 -0.06 N ATOM 58 CD2 HIS A 5 9.952 -6.037 -4.705 1.00 -0.04 C ATOM 59 CE1 HIS A 5 9.264 -7.289 -6.327 1.00 0.11 C ATOM 60 NE2 HIS A 5 9.542 -7.221 -5.059 1.00 -0.06 N ATOM 0 H HIS A 5 10.494 -1.371 -6.544 1.00 -0.46 H new ATOM 0 HA HIS A 5 8.980 -3.501 -7.592 1.00 0.04 H new ATOM 0 HB2 HIS A 5 11.210 -3.773 -6.581 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 10.545 -3.432 -4.996 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 10.249 -5.716 -3.718 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 8.909 -8.143 -6.885 1.00 0.11 H new ATOM 0 HE2 HIS A 5 9.449 -8.006 -4.414 1.00 -0.06 H new ATOM 69 N VAL A 6 7.829 -2.222 -4.732 1.00 -0.46 N ATOM 70 CA VAL A 6 6.549 -2.009 -4.047 1.00 0.04 C ATOM 71 C VAL A 6 5.464 -1.761 -5.070 1.00 0.62 C ATOM 72 O VAL A 6 4.444 -2.433 -5.041 1.00 -0.50 O ATOM 73 CB VAL A 6 6.641 -0.801 -3.061 1.00 -0.01 C ATOM 74 CG1 VAL A 6 5.258 -0.165 -2.743 1.00 -0.09 C ATOM 75 CG2 VAL A 6 7.350 -1.242 -1.750 1.00 -0.09 C ATOM 0 H VAL A 6 8.618 -1.706 -4.343 1.00 -0.46 H new ATOM 0 HA VAL A 6 6.308 -2.902 -3.470 1.00 0.04 H new ATOM 0 HB VAL A 6 7.228 -0.028 -3.558 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 5.391 0.668 -2.053 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 4.803 0.196 -3.665 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 4.609 -0.913 -2.288 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 7.411 -0.395 -1.067 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 6.782 -2.046 -1.282 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 8.355 -1.595 -1.981 1.00 -0.09 H new ATOM 85 N ASP A 7 5.672 -0.788 -5.985 1.00 -0.46 N ATOM 86 CA ASP A 7 4.627 -0.475 -6.953 1.00 0.04 C ATOM 87 C ASP A 7 4.183 -1.739 -7.668 1.00 0.62 C ATOM 88 O ASP A 7 2.997 -2.008 -7.790 1.00 -0.50 O ATOM 89 CB ASP A 7 5.062 0.605 -7.984 1.00 -0.40 C ATOM 90 CG ASP A 7 3.881 1.193 -8.706 1.00 0.71 C ATOM 91 OD1 ASP A 7 2.722 0.792 -8.409 1.00 -0.72 O ATOM 92 OD2 ASP A 7 4.089 2.067 -9.588 1.00 -0.72 O ATOM 0 H ASP A 7 6.523 -0.232 -6.065 1.00 -0.46 H new ATOM 0 HA ASP A 7 3.790 -0.056 -6.394 1.00 0.04 H new ATOM 0 HB2 ASP A 7 5.607 1.398 -7.472 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 5.747 0.163 -8.707 1.00 -0.40 H new ATOM 97 N SER A 8 5.146 -2.557 -8.146 1.00 -0.46 N ATOM 98 CA SER A 8 4.774 -3.801 -8.818 1.00 0.04 C ATOM 99 C SER A 8 3.894 -4.655 -7.931 1.00 0.62 C ATOM 100 O SER A 8 2.911 -5.192 -8.415 1.00 -0.50 O ATOM 101 CB SER A 8 6.021 -4.631 -9.227 1.00 0.02 C ATOM 102 OG SER A 8 5.659 -5.777 -10.017 1.00 -0.55 O ATOM 0 H SER A 8 6.148 -2.380 -8.079 1.00 -0.46 H new ATOM 0 HA SER A 8 4.227 -3.516 -9.717 1.00 0.04 H new ATOM 0 HB2 SER A 8 6.708 -4.001 -9.792 1.00 0.02 H new ATOM 0 HB3 SER A 8 6.551 -4.958 -8.332 1.00 0.02 H new ATOM 0 HG SER A 8 6.467 -6.276 -10.259 1.00 -0.55 H new ATOM 108 N LEU A 9 4.224 -4.813 -6.629 1.00 -0.46 N ATOM 109 CA LEU A 9 3.419 -5.697 -5.784 1.00 0.04 C ATOM 110 C LEU A 9 2.047 -5.126 -5.480 1.00 0.62 C ATOM 111 O LEU A 9 1.164 -5.921 -5.192 1.00 -0.50 O ATOM 112 CB LEU A 9 4.126 -6.096 -4.458 1.00 -0.06 C ATOM 113 CG LEU A 9 5.552 -6.711 -4.613 1.00 -0.01 C ATOM 114 CD1 LEU A 9 6.005 -7.314 -3.254 1.00 -0.11 C ATOM 115 CD2 LEU A 9 5.620 -7.805 -5.714 1.00 -0.11 C ATOM 0 H LEU A 9 5.009 -4.358 -6.164 1.00 -0.46 H new ATOM 0 HA LEU A 9 3.294 -6.602 -6.379 1.00 0.04 H new ATOM 0 HB2 LEU A 9 4.198 -5.211 -3.825 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 3.496 -6.813 -3.933 1.00 -0.06 H new ATOM 0 HG LEU A 9 6.220 -5.905 -4.919 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 7.001 -7.744 -3.361 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 6.027 -6.530 -2.497 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 5.305 -8.092 -2.950 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 6.636 -8.196 -5.776 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 4.934 -8.615 -5.465 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 5.338 -7.373 -6.674 1.00 -0.11 H new ATOM 127 N VAL A 10 1.800 -3.793 -5.525 1.00 -0.46 N ATOM 128 CA VAL A 10 0.428 -3.315 -5.310 1.00 0.04 C ATOM 129 C VAL A 10 -0.440 -3.575 -6.521 1.00 0.62 C ATOM 130 O VAL A 10 -1.613 -3.830 -6.313 1.00 -0.50 O ATOM 131 CB VAL A 10 0.245 -1.838 -4.856 1.00 -0.01 C ATOM 132 CG1 VAL A 10 1.060 -1.559 -3.568 1.00 -0.09 C ATOM 133 CG2 VAL A 10 0.606 -0.797 -5.946 1.00 -0.09 C ATOM 0 H VAL A 10 2.498 -3.070 -5.699 1.00 -0.46 H new ATOM 0 HA VAL A 10 0.110 -3.907 -4.452 1.00 0.04 H new ATOM 0 HB VAL A 10 -0.820 -1.720 -4.657 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 0.919 -0.521 -3.266 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 0.717 -2.218 -2.771 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 2.117 -1.741 -3.760 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 0.453 0.208 -5.554 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 1.650 -0.919 -6.234 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -0.031 -0.947 -6.818 1.00 -0.09 H new ATOM 143 N ARG A 11 0.060 -3.526 -7.777 1.00 -0.46 N ATOM 144 CA ARG A 11 -0.809 -3.791 -8.936 1.00 0.04 C ATOM 145 C ARG A 11 -1.899 -4.829 -8.693 1.00 0.62 C ATOM 146 O ARG A 11 -3.061 -4.467 -8.814 1.00 -0.50 O ATOM 147 CB ARG A 11 -0.005 -4.116 -10.234 1.00 -0.08 C ATOM 148 CG ARG A 11 0.023 -2.953 -11.270 1.00 -0.10 C ATOM 149 CD ARG A 11 0.708 -1.647 -10.773 1.00 -0.23 C ATOM 150 NE ARG A 11 0.654 -0.619 -11.825 1.00 -0.32 N ATOM 151 CZ ARG A 11 1.005 0.638 -11.653 1.00 0.76 C ATOM 152 NH1 ARG A 11 1.453 1.100 -10.516 1.00 -0.62 N ATOM 153 NH2 ARG A 11 0.907 1.473 -12.659 1.00 -0.62 N ATOM 0 H ARG A 11 1.031 -3.312 -8.006 1.00 -0.46 H new ATOM 0 HA ARG A 11 -1.329 -2.846 -9.089 1.00 0.04 H new ATOM 0 HB2 ARG A 11 1.019 -4.370 -9.961 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -0.437 -4.999 -10.705 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 0.538 -3.297 -12.167 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -1.001 -2.720 -11.561 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 0.210 -1.285 -9.873 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 1.745 -1.850 -10.504 1.00 -0.23 H new ATOM 0 HE ARG A 11 0.323 -0.899 -12.748 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 1.543 0.478 -9.713 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 1.713 2.083 -10.432 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 0.562 1.146 -13.561 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 1.176 2.450 -12.539 1.00 -0.62 H new ATOM 167 N PRO A 12 -1.636 -6.114 -8.343 1.00 -0.23 N ATOM 168 CA PRO A 12 -2.741 -7.042 -8.115 1.00 0.04 C ATOM 169 C PRO A 12 -3.643 -6.589 -6.982 1.00 0.53 C ATOM 170 O PRO A 12 -4.821 -6.907 -7.001 1.00 -0.50 O ATOM 171 CB PRO A 12 -1.951 -8.339 -7.796 1.00 -0.12 C ATOM 172 CG PRO A 12 -0.592 -7.832 -7.261 1.00 -0.12 C ATOM 173 CD PRO A 12 -0.282 -6.623 -8.174 1.00 -0.01 C ATOM 0 HA PRO A 12 -3.440 -7.144 -8.945 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -2.468 -8.949 -7.055 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -1.824 -8.957 -8.685 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -0.656 -7.539 -6.213 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 0.180 -8.598 -7.332 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 0.384 -5.900 -7.704 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 0.179 -6.915 -9.117 1.00 -0.01 H new ATOM 181 N CYS A 13 -3.129 -5.835 -5.985 1.00 -0.46 N ATOM 182 CA CYS A 13 -3.997 -5.272 -4.950 1.00 0.04 C ATOM 183 C CYS A 13 -4.833 -4.135 -5.503 1.00 0.62 C ATOM 184 O CYS A 13 -5.982 -4.006 -5.110 1.00 -0.50 O ATOM 185 CB CYS A 13 -3.161 -4.741 -3.754 1.00 -0.10 C ATOM 186 SG CYS A 13 -1.971 -6.009 -3.203 1.00 0.82 S ATOM 0 H CYS A 13 -2.139 -5.611 -5.883 1.00 -0.46 H new ATOM 0 HA CYS A 13 -4.653 -6.072 -4.608 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -2.629 -3.836 -4.046 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -3.822 -4.470 -2.931 1.00 -0.10 H new ATOM 191 N LEU A 14 -4.272 -3.293 -6.403 1.00 -0.46 N ATOM 192 CA LEU A 14 -4.999 -2.110 -6.862 1.00 0.04 C ATOM 193 C LEU A 14 -6.396 -2.443 -7.334 1.00 0.62 C ATOM 194 O LEU A 14 -7.285 -1.641 -7.102 1.00 -0.50 O ATOM 195 CB LEU A 14 -4.279 -1.285 -7.966 1.00 -0.06 C ATOM 196 CG LEU A 14 -2.943 -0.607 -7.530 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -2.328 0.159 -8.737 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -3.103 0.367 -6.327 1.00 -0.11 C ATOM 0 H LEU A 14 -3.344 -3.414 -6.810 1.00 -0.46 H new ATOM 0 HA LEU A 14 -5.044 -1.483 -5.971 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -4.074 -1.942 -8.811 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -4.960 -0.512 -8.321 1.00 -0.06 H new ATOM 0 HG LEU A 14 -2.282 -1.408 -7.200 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -1.395 0.632 -8.431 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -2.131 -0.540 -9.549 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -3.027 0.923 -9.078 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -2.134 0.801 -6.079 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -3.800 1.162 -6.593 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -3.487 -0.179 -5.465 1.00 -0.11 H new ATOM 210 N SER A 15 -6.638 -3.605 -7.980 1.00 -0.46 N ATOM 211 CA SER A 15 -8.009 -3.936 -8.380 1.00 0.04 C ATOM 212 C SER A 15 -8.971 -3.715 -7.227 1.00 0.62 C ATOM 213 O SER A 15 -10.006 -3.091 -7.404 1.00 -0.50 O ATOM 214 CB SER A 15 -8.135 -5.414 -8.845 1.00 0.02 C ATOM 215 OG SER A 15 -7.506 -5.636 -10.119 1.00 -0.55 O ATOM 0 H SER A 15 -5.931 -4.298 -8.224 1.00 -0.46 H new ATOM 0 HA SER A 15 -8.259 -3.278 -9.212 1.00 0.04 H new ATOM 0 HB2 SER A 15 -7.683 -6.068 -8.099 1.00 0.02 H new ATOM 0 HB3 SER A 15 -9.189 -5.685 -8.909 1.00 0.02 H new ATOM 0 HG SER A 15 -7.606 -6.577 -10.374 1.00 -0.55 H new ATOM 221 N TYR A 16 -8.634 -4.230 -6.024 1.00 -0.46 N ATOM 222 CA TYR A 16 -9.535 -4.103 -4.874 1.00 0.04 C ATOM 223 C TYR A 16 -9.436 -2.734 -4.234 1.00 0.62 C ATOM 224 O TYR A 16 -10.456 -2.185 -3.848 1.00 -0.50 O ATOM 225 CB TYR A 16 -9.168 -5.210 -3.856 1.00 -0.10 C ATOM 226 CG TYR A 16 -10.195 -5.398 -2.734 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -10.224 -4.550 -1.624 1.00 0.00 C ATOM 228 CD2 TYR A 16 -11.105 -6.458 -2.802 1.00 0.00 C ATOM 229 CE1 TYR A 16 -11.067 -4.841 -0.546 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -12.007 -6.698 -1.767 1.00 -0.26 C ATOM 231 CZ TYR A 16 -11.986 -5.889 -0.628 1.00 0.46 C ATOM 232 OH TYR A 16 -12.887 -6.141 0.406 1.00 -0.53 O ATOM 0 H TYR A 16 -7.763 -4.726 -5.833 1.00 -0.46 H new ATOM 0 HA TYR A 16 -10.566 -4.218 -5.207 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -9.052 -6.154 -4.389 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -8.201 -4.974 -3.412 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -9.597 -3.671 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.109 -7.101 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.006 -4.251 0.356 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -12.719 -7.506 -1.845 1.00 -0.26 H new ATOM 0 HH TYR A 16 -13.483 -5.371 0.515 1.00 -0.53 H new ATOM 242 N VAL A 17 -8.212 -2.166 -4.114 1.00 -0.46 N ATOM 243 CA VAL A 17 -8.066 -0.835 -3.511 1.00 0.04 C ATOM 244 C VAL A 17 -8.932 0.122 -4.309 1.00 0.62 C ATOM 245 O VAL A 17 -9.685 0.900 -3.743 1.00 -0.50 O ATOM 246 CB VAL A 17 -6.597 -0.298 -3.528 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -6.463 1.113 -2.890 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -5.573 -1.236 -2.828 1.00 -0.09 C ATOM 0 H VAL A 17 -7.340 -2.599 -4.419 1.00 -0.46 H new ATOM 0 HA VAL A 17 -8.363 -0.910 -2.465 1.00 0.04 H new ATOM 0 HB VAL A 17 -6.360 -0.251 -4.591 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 -5.422 1.433 -2.930 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 -7.082 1.821 -3.440 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 -6.791 1.075 -1.851 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -4.578 -0.794 -2.882 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -5.855 -1.368 -1.783 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -5.567 -2.205 -3.327 1.00 -0.09 H new ATOM 258 N GLN A 18 -8.819 0.062 -5.655 1.00 -0.46 N ATOM 259 CA GLN A 18 -9.600 0.948 -6.514 1.00 0.04 C ATOM 260 C GLN A 18 -11.062 0.575 -6.426 1.00 0.62 C ATOM 261 O GLN A 18 -11.887 1.451 -6.214 1.00 -0.50 O ATOM 262 CB GLN A 18 -9.102 0.915 -7.985 1.00 -0.10 C ATOM 263 CG GLN A 18 -7.667 1.506 -8.103 1.00 -0.10 C ATOM 264 CD GLN A 18 -7.083 1.369 -9.488 1.00 0.68 C ATOM 265 OE1 GLN A 18 -7.766 0.944 -10.406 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -5.797 1.727 -9.671 1.00 -0.87 N ATOM 0 H GLN A 18 -8.204 -0.582 -6.152 1.00 -0.46 H new ATOM 0 HA GLN A 18 -9.469 1.971 -6.162 1.00 0.04 H new ATOM 0 HB2 GLN A 18 -9.107 -0.112 -8.351 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 -9.786 1.482 -8.617 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 -7.691 2.560 -7.828 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 -7.014 1.005 -7.388 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -5.249 2.079 -8.886 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -5.371 1.646 -10.594 1.00 -0.87 H new ATOM 275 N GLY A 19 -11.396 -0.725 -6.584 1.00 -0.46 N ATOM 276 CA GLY A 19 -12.796 -1.140 -6.511 1.00 0.04 C ATOM 277 C GLY A 19 -12.977 -2.481 -7.187 1.00 0.62 C ATOM 278 O GLY A 19 -13.085 -2.511 -8.403 1.00 -0.50 O ATOM 0 H GLY A 19 -10.730 -1.478 -6.758 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -13.111 -1.204 -5.469 1.00 0.04 H new ATOM 0 HA3 GLY A 19 -13.430 -0.394 -6.990 1.00 0.04 H new ATOM 282 N GLY A 20 -12.992 -3.608 -6.439 1.00 -0.46 N ATOM 283 CA GLY A 20 -13.095 -4.910 -7.096 1.00 0.04 C ATOM 284 C GLY A 20 -13.127 -6.054 -6.108 1.00 0.62 C ATOM 285 O GLY A 20 -12.933 -5.783 -4.934 1.00 -0.50 O ATOM 0 H GLY A 20 -12.936 -3.635 -5.421 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -13.998 -4.935 -7.706 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -12.250 -5.041 -7.772 1.00 0.04 H new ATOM 289 N PRO A 21 -13.364 -7.325 -6.522 1.00 -0.23 N ATOM 290 CA PRO A 21 -13.389 -8.421 -5.562 1.00 0.04 C ATOM 291 C PRO A 21 -11.992 -8.918 -5.267 1.00 0.53 C ATOM 292 O PRO A 21 -11.048 -8.447 -5.882 1.00 -0.50 O ATOM 293 CB PRO A 21 -14.166 -9.463 -6.401 1.00 -0.12 C ATOM 294 CG PRO A 21 -13.660 -9.195 -7.838 1.00 -0.12 C ATOM 295 CD PRO A 21 -13.623 -7.649 -7.919 1.00 -0.01 C ATOM 0 HA PRO A 21 -13.814 -8.179 -4.588 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -13.950 -10.482 -6.080 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -15.244 -9.325 -6.320 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -12.675 -9.630 -8.006 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -14.328 -9.621 -8.586 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -12.838 -7.286 -8.583 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -14.563 -7.228 -8.276 1.00 -0.01 H new ATOM 303 N GLY A 22 -11.845 -9.873 -4.320 1.00 -0.46 N ATOM 304 CA GLY A 22 -10.518 -10.398 -3.993 1.00 0.04 C ATOM 305 C GLY A 22 -9.865 -9.556 -2.915 1.00 0.62 C ATOM 306 O GLY A 22 -10.501 -9.425 -1.880 1.00 -0.50 O ATOM 0 H GLY A 22 -12.613 -10.281 -3.786 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -10.602 -11.431 -3.655 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -9.893 -10.405 -4.886 1.00 0.04 H new ATOM 310 N PRO A 23 -8.641 -8.979 -3.048 1.00 -0.23 N ATOM 311 CA PRO A 23 -7.860 -9.060 -4.276 1.00 0.04 C ATOM 312 C PRO A 23 -7.300 -10.451 -4.470 1.00 0.53 C ATOM 313 O PRO A 23 -7.527 -11.307 -3.630 1.00 -0.50 O ATOM 314 CB PRO A 23 -6.723 -8.062 -3.946 1.00 -0.12 C ATOM 315 CG PRO A 23 -6.583 -8.165 -2.409 1.00 -0.12 C ATOM 316 CD PRO A 23 -8.048 -8.266 -1.926 1.00 -0.01 C ATOM 0 HA PRO A 23 -8.419 -8.844 -5.187 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -5.795 -8.330 -4.452 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -6.976 -7.049 -4.259 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -6.001 -9.039 -2.115 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -6.081 -7.293 -1.991 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -8.140 -8.815 -0.989 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -8.502 -7.288 -1.768 1.00 -0.01 H new ATOM 324 N SER A 24 -6.569 -10.694 -5.581 1.00 -0.46 N ATOM 325 CA SER A 24 -6.064 -12.043 -5.845 1.00 0.04 C ATOM 326 C SER A 24 -5.170 -12.571 -4.744 1.00 0.62 C ATOM 327 O SER A 24 -4.666 -11.799 -3.941 1.00 -0.50 O ATOM 328 CB SER A 24 -5.262 -12.102 -7.171 1.00 0.02 C ATOM 329 OG SER A 24 -4.743 -13.432 -7.357 1.00 -0.55 O ATOM 0 H SER A 24 -6.326 -9.995 -6.283 1.00 -0.46 H new ATOM 0 HA SER A 24 -6.955 -12.667 -5.907 1.00 0.04 H new ATOM 0 HB2 SER A 24 -5.903 -11.829 -8.009 1.00 0.02 H new ATOM 0 HB3 SER A 24 -4.445 -11.381 -7.147 1.00 0.02 H new ATOM 0 HG SER A 24 -4.237 -13.472 -8.196 1.00 -0.55 H new ATOM 335 N GLY A 25 -4.934 -13.902 -4.703 1.00 -0.46 N ATOM 336 CA GLY A 25 -3.981 -14.443 -3.737 1.00 0.04 C ATOM 337 C GLY A 25 -2.631 -13.800 -3.948 1.00 0.62 C ATOM 338 O GLY A 25 -1.958 -13.492 -2.976 1.00 -0.50 O ATOM 0 H GLY A 25 -5.378 -14.592 -5.309 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -4.330 -14.256 -2.722 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -3.903 -15.524 -3.853 1.00 0.04 H new ATOM 342 N GLN A 26 -2.226 -13.578 -5.221 1.00 -0.46 N ATOM 343 CA GLN A 26 -0.955 -12.902 -5.485 1.00 0.04 C ATOM 344 C GLN A 26 -0.869 -11.632 -4.669 1.00 0.62 C ATOM 345 O GLN A 26 0.148 -11.399 -4.035 1.00 -0.50 O ATOM 346 CB GLN A 26 -0.800 -12.565 -6.994 1.00 -0.10 C ATOM 347 CG GLN A 26 0.574 -11.913 -7.308 1.00 -0.10 C ATOM 348 CD GLN A 26 0.684 -11.592 -8.779 1.00 0.68 C ATOM 349 OE1 GLN A 26 0.586 -10.434 -9.149 1.00 -0.47 O ATOM 350 NE2 GLN A 26 0.883 -12.599 -9.654 1.00 -0.87 N ATOM 0 H GLN A 26 -2.750 -13.852 -6.052 1.00 -0.46 H new ATOM 0 HA GLN A 26 -0.148 -13.577 -5.200 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -0.911 -13.476 -7.582 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -1.600 -11.889 -7.298 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 0.693 -11.002 -6.721 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 1.379 -12.588 -7.016 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 0.961 -13.559 -9.318 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 0.955 -12.401 -10.652 1.00 -0.87 H new ATOM 359 N CYS A 27 -1.928 -10.791 -4.648 1.00 -0.46 N ATOM 360 CA CYS A 27 -1.877 -9.606 -3.797 1.00 0.04 C ATOM 361 C CYS A 27 -1.690 -10.025 -2.360 1.00 0.62 C ATOM 362 O CYS A 27 -0.874 -9.402 -1.708 1.00 -0.50 O ATOM 363 CB CYS A 27 -3.168 -8.755 -3.843 1.00 -0.10 C ATOM 364 SG CYS A 27 -3.180 -7.490 -2.522 1.00 0.82 S ATOM 0 H CYS A 27 -2.786 -10.910 -5.187 1.00 -0.46 H new ATOM 0 HA CYS A 27 -1.049 -9.007 -4.175 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -3.251 -8.269 -4.815 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -4.037 -9.404 -3.736 1.00 -0.10 H new ATOM 369 N CYS A 28 -2.426 -11.025 -1.824 1.00 -0.46 N ATOM 370 CA CYS A 28 -2.226 -11.378 -0.417 1.00 0.04 C ATOM 371 C CYS A 28 -0.799 -11.818 -0.154 1.00 0.62 C ATOM 372 O CYS A 28 -0.278 -11.477 0.897 1.00 -0.50 O ATOM 373 CB CYS A 28 -3.288 -12.365 0.131 1.00 -0.10 C ATOM 374 SG CYS A 28 -4.858 -11.434 0.263 1.00 0.82 S ATOM 0 H CYS A 28 -3.128 -11.573 -2.322 1.00 -0.46 H new ATOM 0 HA CYS A 28 -2.385 -10.467 0.159 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -3.401 -13.220 -0.535 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -2.987 -12.756 1.103 1.00 -0.10 H new ATOM 379 N ASP A 29 -0.113 -12.522 -1.080 1.00 -0.46 N ATOM 380 CA ASP A 29 1.328 -12.712 -0.891 1.00 0.04 C ATOM 381 C ASP A 29 1.976 -11.338 -0.903 1.00 0.62 C ATOM 382 O ASP A 29 2.780 -11.015 -0.042 1.00 -0.50 O ATOM 383 CB ASP A 29 1.930 -13.644 -1.975 1.00 -0.40 C ATOM 384 CG ASP A 29 3.344 -14.001 -1.604 1.00 0.71 C ATOM 385 OD1 ASP A 29 3.520 -14.959 -0.801 1.00 -0.72 O ATOM 386 OD2 ASP A 29 4.289 -13.326 -2.090 1.00 -0.72 O ATOM 0 H ASP A 29 -0.511 -12.944 -1.919 1.00 -0.46 H new ATOM 0 HA ASP A 29 1.520 -13.206 0.062 1.00 0.04 H new ATOM 0 HB2 ASP A 29 1.328 -14.548 -2.067 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 1.912 -13.149 -2.946 1.00 -0.40 H new ATOM 391 N GLY A 30 1.597 -10.483 -1.878 1.00 -0.46 N ATOM 392 CA GLY A 30 2.057 -9.097 -1.870 1.00 0.04 C ATOM 393 C GLY A 30 1.784 -8.403 -0.554 1.00 0.62 C ATOM 394 O GLY A 30 2.607 -7.602 -0.153 1.00 -0.50 O ATOM 0 H GLY A 30 0.988 -10.730 -2.658 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 3.127 -9.072 -2.075 1.00 0.04 H new ATOM 0 HA3 GLY A 30 1.565 -8.550 -2.674 1.00 0.04 H new ATOM 398 N VAL A 31 0.655 -8.649 0.145 1.00 -0.46 N ATOM 399 CA VAL A 31 0.371 -7.942 1.397 1.00 0.04 C ATOM 400 C VAL A 31 1.459 -8.250 2.402 1.00 0.62 C ATOM 401 O VAL A 31 2.086 -7.332 2.912 1.00 -0.50 O ATOM 402 CB VAL A 31 -1.046 -8.287 1.956 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -1.231 -7.791 3.413 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -2.162 -7.691 1.054 1.00 -0.09 C ATOM 0 H VAL A 31 -0.059 -9.321 -0.136 1.00 -0.46 H new ATOM 0 HA VAL A 31 0.364 -6.870 1.198 1.00 0.04 H new ATOM 0 HB VAL A 31 -1.128 -9.374 1.954 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -2.230 -8.052 3.762 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -0.487 -8.263 4.055 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -1.106 -6.709 3.448 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -3.138 -7.946 1.466 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -2.057 -6.607 1.014 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -2.075 -8.101 0.048 1.00 -0.09 H new ATOM 414 N LYS A 32 1.704 -9.544 2.709 1.00 -0.46 N ATOM 415 CA LYS A 32 2.742 -9.859 3.691 1.00 0.04 C ATOM 416 C LYS A 32 4.077 -9.303 3.232 1.00 0.62 C ATOM 417 O LYS A 32 4.789 -8.751 4.058 1.00 -0.50 O ATOM 418 CB LYS A 32 2.754 -11.349 4.153 1.00 -0.10 C ATOM 419 CG LYS A 32 3.096 -12.412 3.068 1.00 -0.16 C ATOM 420 CD LYS A 32 4.621 -12.640 2.868 1.00 -0.18 C ATOM 421 CE LYS A 32 4.926 -13.458 1.581 1.00 -0.04 C ATOM 422 NZ LYS A 32 4.278 -14.790 1.543 1.00 -0.14 N ATOM 0 H LYS A 32 1.218 -10.346 2.308 1.00 -0.46 H new ATOM 0 HA LYS A 32 2.497 -9.346 4.621 1.00 0.04 H new ATOM 0 HB2 LYS A 32 3.474 -11.448 4.966 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 1.773 -11.586 4.565 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 2.630 -13.359 3.341 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 2.657 -12.103 2.119 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 5.127 -11.676 2.813 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 5.026 -13.163 3.734 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 4.602 -12.884 0.713 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 6.005 -13.588 1.493 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 5.005 -15.532 1.593 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 3.631 -14.885 2.352 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 3.742 -14.890 0.657 1.00 -0.14 H new ATOM 436 N ASN A 33 4.441 -9.395 1.932 1.00 -0.46 N ATOM 437 CA ASN A 33 5.707 -8.797 1.489 1.00 0.04 C ATOM 438 C ASN A 33 5.688 -7.288 1.667 1.00 0.62 C ATOM 439 O ASN A 33 6.582 -6.742 2.292 1.00 -0.50 O ATOM 440 CB ASN A 33 5.997 -9.128 -0.001 1.00 -0.09 C ATOM 441 CG ASN A 33 6.140 -10.613 -0.238 1.00 0.68 C ATOM 442 OD1 ASN A 33 6.747 -11.281 0.583 1.00 -0.47 O ATOM 443 ND2 ASN A 33 5.607 -11.169 -1.345 1.00 -0.87 N ATOM 0 H ASN A 33 3.898 -9.858 1.204 1.00 -0.46 H new ATOM 0 HA ASN A 33 6.496 -9.224 2.108 1.00 0.04 H new ATOM 0 HB2 ASN A 33 5.190 -8.739 -0.622 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 6.911 -8.622 -0.313 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 5.707 -12.170 -1.511 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 5.104 -10.588 -2.016 1.00 -0.87 H new ATOM 450 N LEU A 34 4.666 -6.595 1.119 1.00 -0.46 N ATOM 451 CA LEU A 34 4.598 -5.132 1.166 1.00 0.04 C ATOM 452 C LEU A 34 4.953 -4.620 2.546 1.00 0.62 C ATOM 453 O LEU A 34 5.912 -3.875 2.676 1.00 -0.50 O ATOM 454 CB LEU A 34 3.189 -4.627 0.714 1.00 -0.06 C ATOM 455 CG LEU A 34 2.995 -4.641 -0.838 1.00 -0.01 C ATOM 456 CD1 LEU A 34 1.501 -4.766 -1.251 1.00 -0.11 C ATOM 457 CD2 LEU A 34 3.571 -3.345 -1.471 1.00 -0.11 C ATOM 0 H LEU A 34 3.879 -7.033 0.640 1.00 -0.46 H new ATOM 0 HA LEU A 34 5.333 -4.733 0.467 1.00 0.04 H new ATOM 0 HB2 LEU A 34 2.422 -5.250 1.175 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 3.039 -3.612 1.083 1.00 -0.06 H new ATOM 0 HG LEU A 34 3.530 -5.517 -1.204 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 1.423 -4.771 -2.338 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 1.090 -5.694 -0.854 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 0.941 -3.921 -0.851 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 3.427 -3.373 -2.551 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 3.055 -2.478 -1.058 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 4.636 -3.274 -1.249 1.00 -0.11 H new ATOM 469 N HIS A 35 4.208 -5.011 3.604 1.00 -0.46 N ATOM 470 CA HIS A 35 4.515 -4.472 4.933 1.00 0.04 C ATOM 471 C HIS A 35 5.905 -4.846 5.408 1.00 0.62 C ATOM 472 O HIS A 35 6.476 -4.105 6.193 1.00 -0.50 O ATOM 473 CB HIS A 35 3.449 -4.859 5.996 1.00 -0.10 C ATOM 474 CG HIS A 35 3.763 -6.147 6.706 1.00 0.06 C ATOM 475 ND1 HIS A 35 3.985 -7.297 6.147 1.00 -0.06 N ATOM 476 CD2 HIS A 35 3.877 -6.337 8.024 1.00 -0.04 C ATOM 477 CE1 HIS A 35 4.251 -8.218 7.023 1.00 0.11 C ATOM 478 NE2 HIS A 35 4.172 -7.597 8.164 1.00 -0.06 N ATOM 0 H HIS A 35 3.428 -5.666 3.564 1.00 -0.46 H new ATOM 0 HA HIS A 35 4.488 -3.388 4.819 1.00 0.04 H new ATOM 0 HB2 HIS A 35 3.369 -4.057 6.730 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 2.477 -4.946 5.511 1.00 -0.10 H new ATOM 0 HD1 HIS A 35 3.954 -7.458 5.140 1.00 -0.06 H new ATOM 0 HD2 HIS A 35 3.751 -5.602 8.806 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 4.484 -9.258 6.846 1.00 0.11 H new ATOM 487 N ASN A 36 6.481 -5.985 4.958 1.00 -0.46 N ATOM 488 CA ASN A 36 7.852 -6.313 5.353 1.00 0.04 C ATOM 489 C ASN A 36 8.785 -5.286 4.746 1.00 0.62 C ATOM 490 O ASN A 36 9.653 -4.786 5.445 1.00 -0.50 O ATOM 491 CB ASN A 36 8.247 -7.743 4.889 1.00 -0.09 C ATOM 492 CG ASN A 36 9.613 -8.179 5.359 1.00 0.68 C ATOM 493 OD1 ASN A 36 10.303 -7.426 6.026 1.00 -0.47 O ATOM 494 ND2 ASN A 36 10.039 -9.412 5.021 1.00 -0.87 N ATOM 0 H ASN A 36 6.030 -6.664 4.344 1.00 -0.46 H new ATOM 0 HA ASN A 36 7.926 -6.293 6.440 1.00 0.04 H new ATOM 0 HB2 ASN A 36 7.504 -8.452 5.254 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 8.218 -7.783 3.800 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 10.958 -9.735 5.324 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 9.443 -10.022 4.462 1.00 -0.87 H new ATOM 501 N GLN A 37 8.607 -4.943 3.448 1.00 -0.46 N ATOM 502 CA GLN A 37 9.475 -3.958 2.792 1.00 0.04 C ATOM 503 C GLN A 37 8.980 -2.540 3.009 1.00 0.62 C ATOM 504 O GLN A 37 8.756 -1.814 2.053 1.00 -0.50 O ATOM 505 CB GLN A 37 9.729 -4.313 1.294 1.00 -0.10 C ATOM 506 CG GLN A 37 8.460 -4.401 0.397 1.00 -0.10 C ATOM 507 CD GLN A 37 8.788 -4.640 -1.054 1.00 0.68 C ATOM 508 OE1 GLN A 37 9.937 -4.868 -1.392 1.00 -0.47 O ATOM 509 NE2 GLN A 37 7.782 -4.613 -1.951 1.00 -0.87 N ATOM 0 H GLN A 37 7.879 -5.332 2.849 1.00 -0.46 H new ATOM 0 HA GLN A 37 10.453 -4.004 3.271 1.00 0.04 H new ATOM 0 HB2 GLN A 37 10.399 -3.565 0.871 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 10.250 -5.269 1.250 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 7.820 -5.206 0.758 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 7.891 -3.476 0.489 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 6.829 -4.420 -1.643 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 7.974 -4.786 -2.938 1.00 -0.87 H new ATOM 518 N ALA A 38 8.816 -2.118 4.285 1.00 -0.46 N ATOM 519 CA ALA A 38 8.347 -0.761 4.578 1.00 0.04 C ATOM 520 C ALA A 38 8.877 -0.175 5.873 1.00 0.62 C ATOM 521 O ALA A 38 8.236 0.718 6.404 1.00 -0.50 O ATOM 522 CB ALA A 38 6.806 -0.870 4.645 1.00 -0.10 C ATOM 0 H ALA A 38 9.000 -2.692 5.108 1.00 -0.46 H new ATOM 0 HA ALA A 38 8.710 -0.084 3.805 1.00 0.04 H new ATOM 0 HB1 ALA A 38 6.381 0.110 4.862 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 6.425 -1.228 3.689 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 6.525 -1.569 5.432 1.00 -0.10 H new ATOM 528 N ARG A 39 10.025 -0.653 6.408 1.00 -0.46 N ATOM 529 CA ARG A 39 10.518 -0.173 7.703 1.00 0.04 C ATOM 530 C ARG A 39 11.799 0.612 7.508 1.00 0.62 C ATOM 531 O ARG A 39 11.858 1.754 7.938 1.00 -0.50 O ATOM 532 CB ARG A 39 10.758 -1.340 8.707 1.00 -0.08 C ATOM 533 CG ARG A 39 9.457 -1.939 9.323 1.00 -0.10 C ATOM 534 CD ARG A 39 8.663 -2.865 8.360 1.00 -0.23 C ATOM 535 NE ARG A 39 9.444 -4.051 7.987 1.00 -0.32 N ATOM 536 CZ ARG A 39 9.571 -5.130 8.729 1.00 0.76 C ATOM 537 NH1 ARG A 39 9.041 -5.259 9.921 1.00 -0.62 N ATOM 538 NH2 ARG A 39 10.263 -6.139 8.259 1.00 -0.62 N ATOM 0 H ARG A 39 10.613 -1.359 5.965 1.00 -0.46 H new ATOM 0 HA ARG A 39 9.750 0.473 8.128 1.00 0.04 H new ATOM 0 HB2 ARG A 39 11.303 -2.135 8.198 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 11.396 -0.982 9.515 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 9.719 -2.503 10.218 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 8.809 -1.122 9.640 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 7.733 -3.176 8.837 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 8.391 -2.310 7.462 1.00 -0.23 H new ATOM 0 HE ARG A 39 9.923 -4.037 7.087 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 8.494 -4.497 10.321 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 9.175 -6.122 10.448 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 10.690 -6.078 7.335 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 10.374 -6.985 8.817 1.00 -0.62 H new ATOM 552 N SER A 40 12.847 0.027 6.880 1.00 -0.46 N ATOM 553 CA SER A 40 14.112 0.751 6.745 1.00 0.04 C ATOM 554 C SER A 40 13.881 2.130 6.163 1.00 0.62 C ATOM 555 O SER A 40 12.987 2.279 5.345 1.00 -0.50 O ATOM 556 CB SER A 40 15.142 -0.033 5.889 1.00 0.02 C ATOM 557 OG SER A 40 16.441 0.583 5.903 1.00 -0.55 O ATOM 0 H SER A 40 12.836 -0.909 6.476 1.00 -0.46 H new ATOM 0 HA SER A 40 14.531 0.857 7.746 1.00 0.04 H new ATOM 0 HB2 SER A 40 15.222 -1.053 6.264 1.00 0.02 H new ATOM 0 HB3 SER A 40 14.784 -0.098 4.862 1.00 0.02 H new ATOM 0 HG SER A 40 17.059 0.057 5.354 1.00 -0.55 H new ATOM 563 N GLN A 41 14.658 3.156 6.580 1.00 -0.46 N ATOM 564 CA GLN A 41 14.371 4.520 6.134 1.00 0.04 C ATOM 565 C GLN A 41 14.218 4.595 4.632 1.00 0.62 C ATOM 566 O GLN A 41 13.254 5.186 4.175 1.00 -0.50 O ATOM 567 CB GLN A 41 15.470 5.510 6.610 1.00 -0.10 C ATOM 568 CG GLN A 41 15.172 6.972 6.175 1.00 -0.10 C ATOM 569 CD GLN A 41 16.174 7.963 6.715 1.00 0.68 C ATOM 570 OE1 GLN A 41 17.116 7.577 7.388 1.00 -0.47 O ATOM 571 NE2 GLN A 41 15.997 9.270 6.434 1.00 -0.87 N ATOM 0 H GLN A 41 15.460 3.063 7.203 1.00 -0.46 H new ATOM 0 HA GLN A 41 13.423 4.810 6.586 1.00 0.04 H new ATOM 0 HB2 GLN A 41 15.551 5.465 7.696 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 16.434 5.202 6.205 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 15.165 7.027 5.086 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 14.174 7.250 6.515 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 15.201 9.567 5.869 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 16.659 9.962 6.786 1.00 -0.87 H new ATOM 580 N SER A 42 15.144 4.017 3.835 1.00 -0.46 N ATOM 581 CA SER A 42 14.999 4.111 2.382 1.00 0.04 C ATOM 582 C SER A 42 13.702 3.470 1.937 1.00 0.62 C ATOM 583 O SER A 42 12.933 4.122 1.247 1.00 -0.50 O ATOM 584 CB SER A 42 16.191 3.486 1.615 1.00 0.02 C ATOM 585 OG SER A 42 16.042 3.806 0.221 1.00 -0.55 O ATOM 0 H SER A 42 15.962 3.504 4.162 1.00 -0.46 H new ATOM 0 HA SER A 42 14.985 5.173 2.139 1.00 0.04 H new ATOM 0 HB2 SER A 42 17.135 3.875 1.996 1.00 0.02 H new ATOM 0 HB3 SER A 42 16.211 2.406 1.758 1.00 0.02 H new ATOM 0 HG SER A 42 16.788 3.421 -0.285 1.00 -0.55 H new ATOM 591 N ASP A 43 13.422 2.207 2.335 1.00 -0.46 N ATOM 592 CA ASP A 43 12.154 1.584 1.955 1.00 0.04 C ATOM 593 C ASP A 43 11.006 2.507 2.296 1.00 0.62 C ATOM 594 O ASP A 43 10.201 2.825 1.436 1.00 -0.50 O ATOM 595 CB ASP A 43 11.932 0.214 2.656 1.00 -0.40 C ATOM 596 CG ASP A 43 13.000 -0.776 2.280 1.00 0.71 C ATOM 597 OD1 ASP A 43 14.201 -0.406 2.381 1.00 -0.72 O ATOM 598 OD2 ASP A 43 12.647 -1.924 1.896 1.00 -0.72 O ATOM 0 H ASP A 43 14.040 1.624 2.900 1.00 -0.46 H new ATOM 0 HA ASP A 43 12.195 1.406 0.880 1.00 0.04 H new ATOM 0 HB2 ASP A 43 11.928 0.354 3.737 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 10.954 -0.182 2.382 1.00 -0.40 H new ATOM 603 N ARG A 44 10.920 2.955 3.566 1.00 -0.46 N ATOM 604 CA ARG A 44 9.778 3.768 3.977 1.00 0.04 C ATOM 605 C ARG A 44 9.732 5.081 3.223 1.00 0.62 C ATOM 606 O ARG A 44 8.698 5.411 2.664 1.00 -0.50 O ATOM 607 CB ARG A 44 9.821 3.983 5.514 1.00 -0.08 C ATOM 608 CG ARG A 44 8.627 4.839 6.013 1.00 -0.10 C ATOM 609 CD ARG A 44 8.512 4.772 7.560 1.00 -0.23 C ATOM 610 NE ARG A 44 7.373 5.543 8.068 1.00 -0.32 N ATOM 611 CZ ARG A 44 7.111 5.694 9.348 1.00 0.76 C ATOM 612 NH1 ARG A 44 7.828 5.137 10.292 1.00 -0.62 N ATOM 613 NH2 ARG A 44 6.091 6.433 9.703 1.00 -0.62 N ATOM 0 H ARG A 44 11.608 2.771 4.296 1.00 -0.46 H new ATOM 0 HA ARG A 44 8.858 3.238 3.728 1.00 0.04 H new ATOM 0 HB2 ARG A 44 9.809 3.016 6.016 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 10.757 4.472 5.786 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 8.758 5.874 5.698 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 7.703 4.482 5.559 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 8.411 3.732 7.870 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 9.432 5.150 8.007 1.00 -0.23 H new ATOM 0 HE ARG A 44 6.750 5.986 7.392 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 8.630 4.556 10.048 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 7.584 5.284 11.271 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 5.514 6.881 8.991 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 5.873 6.561 10.691 1.00 -0.62 H new ATOM 627 N GLN A 45 10.834 5.859 3.186 1.00 -0.46 N ATOM 628 CA GLN A 45 10.817 7.139 2.473 1.00 0.04 C ATOM 629 C GLN A 45 10.495 6.926 1.009 1.00 0.62 C ATOM 630 O GLN A 45 9.550 7.508 0.497 1.00 -0.50 O ATOM 631 CB GLN A 45 12.192 7.867 2.558 1.00 -0.10 C ATOM 632 CG GLN A 45 12.495 8.433 3.974 1.00 -0.10 C ATOM 633 CD GLN A 45 11.793 9.730 4.290 1.00 0.68 C ATOM 634 OE1 GLN A 45 11.155 10.311 3.429 1.00 -0.47 O ATOM 635 NE2 GLN A 45 11.909 10.230 5.536 1.00 -0.87 N ATOM 0 H GLN A 45 11.722 5.626 3.631 1.00 -0.46 H new ATOM 0 HA GLN A 45 10.053 7.752 2.950 1.00 0.04 H new ATOM 0 HB2 GLN A 45 12.982 7.172 2.274 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 12.210 8.683 1.835 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 12.210 7.689 4.718 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 13.570 8.583 4.069 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 12.448 9.726 6.240 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 11.458 11.113 5.775 1.00 -0.87 H new ATOM 644 N SER A 46 11.297 6.092 0.314 1.00 -0.46 N ATOM 645 CA SER A 46 11.144 5.960 -1.132 1.00 0.04 C ATOM 646 C SER A 46 9.784 5.391 -1.445 1.00 0.62 C ATOM 647 O SER A 46 9.094 5.905 -2.313 1.00 -0.50 O ATOM 648 CB SER A 46 12.228 5.038 -1.749 1.00 0.02 C ATOM 649 OG SER A 46 13.545 5.602 -1.629 1.00 -0.55 O ATOM 0 H SER A 46 12.034 5.519 0.725 1.00 -0.46 H new ATOM 0 HA SER A 46 11.255 6.954 -1.566 1.00 0.04 H new ATOM 0 HB2 SER A 46 12.203 4.067 -1.254 1.00 0.02 H new ATOM 0 HB3 SER A 46 12.002 4.866 -2.801 1.00 0.02 H new ATOM 0 HG SER A 46 14.213 4.930 -1.879 1.00 -0.55 H new ATOM 655 N ALA A 47 9.376 4.316 -0.740 1.00 -0.46 N ATOM 656 CA ALA A 47 8.063 3.755 -1.015 1.00 0.04 C ATOM 657 C ALA A 47 6.995 4.771 -0.697 1.00 0.62 C ATOM 658 O ALA A 47 6.143 4.996 -1.540 1.00 -0.50 O ATOM 659 CB ALA A 47 7.773 2.477 -0.200 1.00 -0.10 C ATOM 0 H ALA A 47 9.915 3.846 -0.013 1.00 -0.46 H new ATOM 0 HA ALA A 47 8.055 3.491 -2.073 1.00 0.04 H new ATOM 0 HB1 ALA A 47 6.779 2.105 -0.448 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 8.516 1.716 -0.440 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 7.819 2.706 0.865 1.00 -0.10 H new ATOM 665 N CYS A 48 7.008 5.402 0.501 1.00 -0.46 N ATOM 666 CA CYS A 48 5.929 6.329 0.835 1.00 0.04 C ATOM 667 C CYS A 48 5.807 7.395 -0.234 1.00 0.62 C ATOM 668 O CYS A 48 4.703 7.818 -0.538 1.00 -0.50 O ATOM 669 CB CYS A 48 6.071 6.994 2.232 1.00 -0.10 C ATOM 670 SG CYS A 48 4.433 7.578 2.795 1.00 0.82 S ATOM 0 H CYS A 48 7.725 5.287 1.217 1.00 -0.46 H new ATOM 0 HA CYS A 48 5.022 5.727 0.878 1.00 0.04 H new ATOM 0 HB2 CYS A 48 6.480 6.280 2.947 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 6.769 7.829 2.180 1.00 -0.10 H new ATOM 675 N ASN A 49 6.928 7.860 -0.825 1.00 -0.46 N ATOM 676 CA ASN A 49 6.815 8.855 -1.892 1.00 0.04 C ATOM 677 C ASN A 49 5.990 8.306 -3.041 1.00 0.62 C ATOM 678 O ASN A 49 5.060 8.967 -3.478 1.00 -0.50 O ATOM 679 CB ASN A 49 8.220 9.289 -2.389 1.00 -0.09 C ATOM 680 CG ASN A 49 9.077 9.808 -1.258 1.00 0.68 C ATOM 681 OD1 ASN A 49 8.554 10.172 -0.216 1.00 -0.47 O ATOM 682 ND2 ASN A 49 10.414 9.863 -1.425 1.00 -0.87 N ATOM 0 H ASN A 49 7.878 7.573 -0.590 1.00 -0.46 H new ATOM 0 HA ASN A 49 6.310 9.733 -1.491 1.00 0.04 H new ATOM 0 HB2 ASN A 49 8.716 8.442 -2.862 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 8.114 10.062 -3.150 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 11.008 10.213 -0.673 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 10.831 9.554 -2.303 1.00 -0.87 H new ATOM 689 N CYS A 50 6.300 7.089 -3.547 1.00 -0.46 N ATOM 690 CA CYS A 50 5.489 6.529 -4.632 1.00 0.04 C ATOM 691 C CYS A 50 4.084 6.252 -4.129 1.00 0.62 C ATOM 692 O CYS A 50 3.140 6.583 -4.826 1.00 -0.50 O ATOM 693 CB CYS A 50 6.117 5.254 -5.263 1.00 -0.10 C ATOM 694 SG CYS A 50 7.443 5.722 -6.427 1.00 0.82 S ATOM 0 H CYS A 50 7.074 6.504 -3.232 1.00 -0.46 H new ATOM 0 HA CYS A 50 5.451 7.272 -5.429 1.00 0.04 H new ATOM 0 HB2 CYS A 50 6.519 4.611 -4.480 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 5.350 4.680 -5.784 1.00 -0.10 H new ATOM 699 N LEU A 51 3.930 5.659 -2.926 1.00 -0.46 N ATOM 700 CA LEU A 51 2.607 5.354 -2.363 1.00 0.04 C ATOM 701 C LEU A 51 1.572 6.393 -2.738 1.00 0.62 C ATOM 702 O LEU A 51 0.620 6.061 -3.430 1.00 -0.50 O ATOM 703 CB LEU A 51 2.748 5.174 -0.822 1.00 -0.06 C ATOM 704 CG LEU A 51 1.537 4.681 0.022 1.00 -0.01 C ATOM 705 CD1 LEU A 51 1.951 4.720 1.524 1.00 -0.11 C ATOM 706 CD2 LEU A 51 0.258 5.537 -0.168 1.00 -0.11 C ATOM 0 H LEU A 51 4.710 5.383 -2.329 1.00 -0.46 H new ATOM 0 HA LEU A 51 2.239 4.422 -2.792 1.00 0.04 H new ATOM 0 HB2 LEU A 51 3.567 4.475 -0.652 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 3.059 6.135 -0.411 1.00 -0.06 H new ATOM 0 HG LEU A 51 1.290 3.674 -0.315 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.119 4.379 2.140 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 2.810 4.068 1.682 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 2.214 5.741 1.803 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 -0.544 5.135 0.451 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 0.462 6.566 0.127 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -0.044 5.512 -1.215 1.00 -0.11 H new ATOM 718 N LYS A 52 1.720 7.669 -2.312 1.00 -0.46 N ATOM 719 CA LYS A 52 0.691 8.647 -2.663 1.00 0.04 C ATOM 720 C LYS A 52 0.651 8.824 -4.165 1.00 0.62 C ATOM 721 O LYS A 52 -0.433 8.831 -4.727 1.00 -0.50 O ATOM 722 CB LYS A 52 0.858 10.027 -1.966 1.00 -0.10 C ATOM 723 CG LYS A 52 0.459 9.979 -0.463 1.00 -0.16 C ATOM 724 CD LYS A 52 0.439 11.408 0.153 1.00 -0.18 C ATOM 725 CE LYS A 52 0.053 11.428 1.659 1.00 -0.04 C ATOM 726 NZ LYS A 52 -1.364 11.080 1.927 1.00 -0.14 N ATOM 0 H LYS A 52 2.499 8.022 -1.756 1.00 -0.46 H new ATOM 0 HA LYS A 52 -0.253 8.243 -2.297 1.00 0.04 H new ATOM 0 HB2 LYS A 52 1.894 10.354 -2.055 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 0.245 10.768 -2.479 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -0.524 9.520 -0.358 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 1.163 9.353 0.084 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 1.423 11.861 0.032 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -0.267 12.025 -0.403 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 0.695 10.730 2.197 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 0.254 12.421 2.061 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -1.538 11.099 2.952 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -1.985 11.769 1.457 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -1.563 10.128 1.560 1.00 -0.14 H new ATOM 740 N GLY A 53 1.815 8.963 -4.836 1.00 -0.46 N ATOM 741 CA GLY A 53 1.799 9.120 -6.290 1.00 0.04 C ATOM 742 C GLY A 53 1.036 8.022 -7.000 1.00 0.62 C ATOM 743 O GLY A 53 0.412 8.301 -8.012 1.00 -0.50 O ATOM 0 H GLY A 53 2.740 8.969 -4.406 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 1.354 10.083 -6.540 1.00 0.04 H new ATOM 0 HA3 GLY A 53 2.825 9.138 -6.658 1.00 0.04 H new ATOM 747 N ILE A 54 1.082 6.763 -6.508 1.00 -0.46 N ATOM 748 CA ILE A 54 0.382 5.675 -7.194 1.00 0.04 C ATOM 749 C ILE A 54 -1.101 5.761 -6.916 1.00 0.62 C ATOM 750 O ILE A 54 -1.886 5.759 -7.851 1.00 -0.50 O ATOM 751 CB ILE A 54 0.848 4.260 -6.727 1.00 -0.01 C ATOM 752 CG1 ILE A 54 2.365 4.022 -6.995 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -0.008 3.145 -7.403 1.00 -0.09 C ATOM 754 CD1 ILE A 54 2.962 2.983 -6.006 1.00 -0.09 C ATOM 0 H ILE A 54 1.583 6.489 -5.663 1.00 -0.46 H new ATOM 0 HA ILE A 54 0.610 5.793 -8.253 1.00 0.04 H new ATOM 0 HB ILE A 54 0.698 4.214 -5.648 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 2.504 3.674 -8.018 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 2.904 4.965 -6.903 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 0.334 2.167 -7.063 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 -1.056 3.277 -7.133 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 0.099 3.211 -8.486 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 4.021 2.842 -6.222 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 2.845 3.344 -4.984 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 2.439 2.033 -6.117 1.00 -0.09 H new ATOM 766 N ALA A 55 -1.489 5.778 -5.619 1.00 -0.46 N ATOM 767 CA ALA A 55 -2.876 5.494 -5.250 1.00 0.04 C ATOM 768 C ALA A 55 -3.612 6.722 -4.767 1.00 0.62 C ATOM 769 O ALA A 55 -4.642 7.040 -5.335 1.00 -0.50 O ATOM 770 CB ALA A 55 -2.853 4.385 -4.169 1.00 -0.10 C ATOM 0 H ALA A 55 -0.870 5.981 -4.834 1.00 -0.46 H new ATOM 0 HA ALA A 55 -3.424 5.159 -6.131 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -3.874 4.148 -3.870 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -2.377 3.492 -4.574 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -2.292 4.734 -3.302 1.00 -0.10 H new ATOM 776 N ARG A 56 -3.140 7.447 -3.729 1.00 -0.46 N ATOM 777 CA ARG A 56 -3.886 8.630 -3.287 1.00 0.04 C ATOM 778 C ARG A 56 -4.065 9.536 -4.490 1.00 0.62 C ATOM 779 O ARG A 56 -5.185 9.886 -4.827 1.00 -0.50 O ATOM 780 CB ARG A 56 -3.175 9.336 -2.095 1.00 -0.08 C ATOM 781 CG ARG A 56 -4.037 10.383 -1.329 1.00 -0.10 C ATOM 782 CD ARG A 56 -4.324 11.681 -2.134 1.00 -0.23 C ATOM 783 NE ARG A 56 -4.970 12.713 -1.314 1.00 -0.32 N ATOM 784 CZ ARG A 56 -5.295 13.907 -1.765 1.00 0.76 C ATOM 785 NH1 ARG A 56 -5.072 14.285 -3.000 1.00 -0.62 N ATOM 786 NH2 ARG A 56 -5.868 14.760 -0.952 1.00 -0.62 N ATOM 0 H ARG A 56 -2.287 7.243 -3.208 1.00 -0.46 H new ATOM 0 HA ARG A 56 -4.867 8.347 -2.906 1.00 0.04 H new ATOM 0 HB2 ARG A 56 -2.845 8.575 -1.388 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 -2.280 9.832 -2.470 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 -4.986 9.923 -1.052 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 -3.528 10.648 -0.402 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 -3.389 12.071 -2.535 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 -4.962 11.444 -2.985 1.00 -0.23 H new ATOM 0 HE ARG A 56 -5.179 12.493 -0.340 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 -4.629 13.643 -3.658 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 -5.342 15.221 -3.304 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 -6.056 14.495 0.015 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 -6.126 15.689 -1.286 1.00 -0.62 H new ATOM 800 N GLY A 57 -2.962 9.915 -5.173 1.00 -0.46 N ATOM 801 CA GLY A 57 -3.085 10.763 -6.357 1.00 0.04 C ATOM 802 C GLY A 57 -3.539 9.949 -7.548 1.00 0.62 C ATOM 803 O GLY A 57 -2.701 9.587 -8.359 1.00 -0.50 O ATOM 0 H GLY A 57 -2.008 9.652 -4.927 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 -3.798 11.565 -6.164 1.00 0.04 H new ATOM 0 HA3 GLY A 57 -2.127 11.234 -6.575 1.00 0.04 H new ATOM 807 N ILE A 58 -4.855 9.649 -7.674 1.00 -0.46 N ATOM 808 CA ILE A 58 -5.344 8.874 -8.820 1.00 0.04 C ATOM 809 C ILE A 58 -6.744 9.322 -9.196 1.00 0.62 C ATOM 810 O ILE A 58 -7.423 9.856 -8.334 1.00 -0.50 O ATOM 811 CB ILE A 58 -5.282 7.358 -8.463 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -5.212 6.450 -9.727 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -6.473 6.961 -7.549 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -5.074 4.939 -9.401 1.00 -0.09 C ATOM 0 H ILE A 58 -5.575 9.928 -7.008 1.00 -0.46 H new ATOM 0 HA ILE A 58 -4.714 9.045 -9.693 1.00 0.04 H new ATOM 0 HB ILE A 58 -4.355 7.195 -7.913 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -6.111 6.603 -10.324 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.365 6.760 -10.340 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -6.411 5.899 -7.311 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -6.434 7.542 -6.627 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -7.411 7.163 -8.066 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -5.031 4.369 -10.329 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.161 4.772 -8.830 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -5.933 4.613 -8.814 1.00 -0.09 H new ATOM 826 N HIS A 59 -7.200 9.134 -10.458 1.00 -0.46 N ATOM 827 CA HIS A 59 -8.532 9.603 -10.851 1.00 0.04 C ATOM 828 C HIS A 59 -9.601 9.305 -9.816 1.00 0.62 C ATOM 829 O HIS A 59 -10.243 10.238 -9.360 1.00 -0.50 O ATOM 830 CB HIS A 59 -8.937 9.001 -12.225 1.00 -0.10 C ATOM 831 CG HIS A 59 -10.350 9.362 -12.602 1.00 0.06 C ATOM 832 ND1 HIS A 59 -10.819 10.568 -12.733 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -11.363 8.530 -12.866 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -12.074 10.563 -13.067 1.00 0.11 C ATOM 835 NE2 HIS A 59 -12.375 9.300 -13.142 1.00 -0.06 N ATOM 0 H HIS A 59 -6.673 8.671 -11.199 1.00 -0.46 H new ATOM 0 HA HIS A 59 -8.464 10.688 -10.930 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -8.253 9.360 -12.994 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -8.837 7.916 -12.190 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 -11.345 7.450 -12.853 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -12.719 11.412 -13.242 1.00 0.11 H new ATOM 0 HE2 HIS A 59 -13.301 8.952 -13.390 1.00 -0.06 H new ATOM 844 N ASN A 60 -9.811 8.025 -9.431 1.00 -0.46 N ATOM 845 CA ASN A 60 -10.797 7.705 -8.395 1.00 0.04 C ATOM 846 C ASN A 60 -10.462 6.388 -7.726 1.00 0.62 C ATOM 847 O ASN A 60 -9.772 5.590 -8.340 1.00 -0.50 O ATOM 848 CB ASN A 60 -12.226 7.631 -8.990 1.00 -0.09 C ATOM 849 CG ASN A 60 -12.752 8.993 -9.369 1.00 0.68 C ATOM 850 OD1 ASN A 60 -12.878 9.283 -10.547 1.00 -0.47 O ATOM 851 ND2 ASN A 60 -13.078 9.863 -8.392 1.00 -0.87 N ATOM 0 H ASN A 60 -9.319 7.219 -9.817 1.00 -0.46 H new ATOM 0 HA ASN A 60 -10.765 8.503 -7.654 1.00 0.04 H new ATOM 0 HB2 ASN A 60 -12.219 6.987 -9.870 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 -12.897 7.172 -8.264 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 -13.439 10.787 -8.631 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 -12.964 9.598 -7.414 1.00 -0.87 H new ATOM 858 N LEU A 61 -10.930 6.157 -6.475 1.00 -0.46 N ATOM 859 CA LEU A 61 -10.481 4.991 -5.708 1.00 0.04 C ATOM 860 C LEU A 61 -11.433 4.717 -4.557 1.00 0.62 C ATOM 861 O LEU A 61 -12.157 5.635 -4.206 1.00 -0.50 O ATOM 862 CB LEU A 61 -9.011 5.327 -5.310 1.00 -0.06 C ATOM 863 CG LEU A 61 -8.307 4.393 -4.285 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -6.763 4.505 -4.430 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -8.685 4.744 -2.822 1.00 -0.11 C ATOM 0 H LEU A 61 -11.603 6.753 -5.993 1.00 -0.46 H new ATOM 0 HA LEU A 61 -10.492 4.052 -6.262 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -8.411 5.338 -6.220 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -8.996 6.339 -4.906 1.00 -0.06 H new ATOM 0 HG LEU A 61 -8.642 3.378 -4.500 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -6.281 3.847 -3.707 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -6.470 4.213 -5.439 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -6.454 5.534 -4.246 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -8.170 4.066 -2.141 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -8.388 5.770 -2.606 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -9.762 4.642 -2.690 1.00 -0.11 H new ATOM 877 N ASN A 62 -11.467 3.492 -3.973 1.00 -0.46 N ATOM 878 CA ASN A 62 -12.398 3.182 -2.882 1.00 0.04 C ATOM 879 C ASN A 62 -11.629 2.918 -1.599 1.00 0.62 C ATOM 880 O ASN A 62 -11.298 1.777 -1.312 1.00 -0.50 O ATOM 881 CB ASN A 62 -13.257 1.972 -3.337 1.00 -0.09 C ATOM 882 CG ASN A 62 -14.356 1.645 -2.357 1.00 0.68 C ATOM 883 OD1 ASN A 62 -14.283 2.046 -1.206 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -15.399 0.903 -2.780 1.00 -0.87 N ATOM 0 H ASN A 62 -10.863 2.716 -4.243 1.00 -0.46 H new ATOM 0 HA ASN A 62 -13.061 4.020 -2.665 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -13.695 2.187 -4.311 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -12.614 1.100 -3.462 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -16.151 0.664 -2.133 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -15.436 0.580 -3.747 1.00 -0.87 H new ATOM 891 N GLU A 63 -11.332 3.970 -0.800 1.00 -0.46 N ATOM 892 CA GLU A 63 -10.534 3.778 0.411 1.00 0.04 C ATOM 893 C GLU A 63 -11.251 2.871 1.384 1.00 0.62 C ATOM 894 O GLU A 63 -10.632 1.984 1.952 1.00 -0.50 O ATOM 895 CB GLU A 63 -10.234 5.097 1.185 1.00 -0.18 C ATOM 896 CG GLU A 63 -9.351 6.105 0.397 1.00 -0.40 C ATOM 897 CD GLU A 63 -10.051 6.878 -0.690 1.00 0.71 C ATOM 898 OE1 GLU A 63 -11.263 6.629 -0.929 1.00 -0.72 O ATOM 899 OE2 GLU A 63 -9.384 7.745 -1.317 1.00 -0.72 O ATOM 0 H GLU A 63 -11.628 4.931 -0.973 1.00 -0.46 H new ATOM 0 HA GLU A 63 -9.596 3.350 0.057 1.00 0.04 H new ATOM 0 HB2 GLU A 63 -11.178 5.579 1.441 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 -9.737 4.851 2.123 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 -8.924 6.815 1.105 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 -8.519 5.560 -0.049 1.00 -0.40 H new ATOM 906 N ASP A 64 -12.562 3.089 1.625 1.00 -0.46 N ATOM 907 CA ASP A 64 -13.227 2.309 2.665 1.00 0.04 C ATOM 908 C ASP A 64 -13.216 0.839 2.300 1.00 0.62 C ATOM 909 O ASP A 64 -13.053 0.011 3.182 1.00 -0.50 O ATOM 910 CB ASP A 64 -14.634 2.866 3.005 1.00 -0.40 C ATOM 911 CG ASP A 64 -15.012 2.488 4.414 1.00 0.71 C ATOM 912 OD1 ASP A 64 -14.514 3.169 5.358 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -15.793 1.517 4.589 1.00 -0.72 O ATOM 0 H ASP A 64 -13.148 3.766 1.136 1.00 -0.46 H new ATOM 0 HA ASP A 64 -12.665 2.407 3.594 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -14.641 3.951 2.897 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -15.369 2.471 2.304 1.00 -0.40 H new ATOM 918 N ASN A 65 -13.344 0.474 1.004 1.00 -0.46 N ATOM 919 CA ASN A 65 -13.130 -0.927 0.636 1.00 0.04 C ATOM 920 C ASN A 65 -11.707 -1.296 0.997 1.00 0.62 C ATOM 921 O ASN A 65 -11.508 -2.271 1.705 1.00 -0.50 O ATOM 922 CB ASN A 65 -13.371 -1.189 -0.875 1.00 -0.09 C ATOM 923 CG ASN A 65 -13.255 -2.646 -1.259 1.00 0.68 C ATOM 924 OD1 ASN A 65 -13.649 -3.498 -0.478 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -12.740 -2.979 -2.461 1.00 -0.87 N ATOM 0 H ASN A 65 -13.583 1.101 0.236 1.00 -0.46 H new ATOM 0 HA ASN A 65 -13.849 -1.540 1.180 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -14.364 -0.828 -1.145 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -12.653 -0.610 -1.455 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -12.674 -3.960 -2.733 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -12.417 -2.250 -3.097 1.00 -0.87 H new ATOM 932 N ALA A 66 -10.700 -0.518 0.531 1.00 -0.46 N ATOM 933 CA ALA A 66 -9.303 -0.854 0.830 1.00 0.04 C ATOM 934 C ALA A 66 -9.111 -1.162 2.300 1.00 0.62 C ATOM 935 O ALA A 66 -8.378 -2.084 2.619 1.00 -0.50 O ATOM 936 CB ALA A 66 -8.336 0.297 0.447 1.00 -0.10 C ATOM 0 H ALA A 66 -10.830 0.320 -0.036 1.00 -0.46 H new ATOM 0 HA ALA A 66 -9.071 -1.736 0.232 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -7.313 0.007 0.685 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -8.417 0.500 -0.621 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -8.598 1.194 1.008 1.00 -0.10 H new ATOM 942 N ARG A 67 -9.780 -0.401 3.198 1.00 -0.46 N ATOM 943 CA ARG A 67 -9.709 -0.666 4.642 1.00 0.04 C ATOM 944 C ARG A 67 -9.712 -2.148 4.969 1.00 0.62 C ATOM 945 O ARG A 67 -9.006 -2.572 5.869 1.00 -0.50 O ATOM 946 CB ARG A 67 -10.958 -0.082 5.369 1.00 -0.08 C ATOM 947 CG ARG A 67 -10.744 0.177 6.889 1.00 -0.10 C ATOM 948 CD ARG A 67 -10.019 1.529 7.188 1.00 -0.23 C ATOM 949 NE ARG A 67 -10.410 2.624 6.283 1.00 -0.32 N ATOM 950 CZ ARG A 67 -11.602 3.183 6.247 1.00 0.76 C ATOM 951 NH1 ARG A 67 -12.564 2.889 7.084 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -11.854 4.081 5.324 1.00 -0.62 N ATOM 0 H ARG A 67 -10.368 0.393 2.944 1.00 -0.46 H new ATOM 0 HA ARG A 67 -8.778 -0.205 4.971 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -11.241 0.854 4.888 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -11.794 -0.770 5.243 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -11.711 0.172 7.391 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -10.161 -0.641 7.312 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -10.231 1.825 8.215 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -8.942 1.377 7.116 1.00 -0.23 H new ATOM 0 HE ARG A 67 -9.704 2.976 5.636 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -12.410 2.193 7.814 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -13.468 3.356 7.007 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 -11.132 4.336 4.650 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 -12.772 4.524 5.281 1.00 -0.62 H new ATOM 966 N SER A 68 -10.536 -2.949 4.254 1.00 -0.46 N ATOM 967 CA SER A 68 -10.647 -4.375 4.567 1.00 0.04 C ATOM 968 C SER A 68 -9.412 -5.174 4.208 1.00 0.62 C ATOM 969 O SER A 68 -9.205 -6.214 4.810 1.00 -0.50 O ATOM 970 CB SER A 68 -11.853 -4.989 3.807 1.00 0.02 C ATOM 971 OG SER A 68 -12.038 -6.376 4.135 1.00 -0.55 O ATOM 0 H SER A 68 -11.117 -2.634 3.477 1.00 -0.46 H new ATOM 0 HA SER A 68 -10.778 -4.433 5.647 1.00 0.04 H new ATOM 0 HB2 SER A 68 -12.758 -4.433 4.052 1.00 0.02 H new ATOM 0 HB3 SER A 68 -11.697 -4.887 2.733 1.00 0.02 H new ATOM 0 HG SER A 68 -12.892 -6.687 3.769 1.00 -0.55 H new ATOM 977 N ILE A 69 -8.571 -4.744 3.239 1.00 -0.46 N ATOM 978 CA ILE A 69 -7.414 -5.560 2.856 1.00 0.04 C ATOM 979 C ILE A 69 -6.612 -6.018 4.067 1.00 0.62 C ATOM 980 O ILE A 69 -6.484 -7.226 4.204 1.00 -0.50 O ATOM 981 CB ILE A 69 -6.511 -4.930 1.747 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -7.279 -4.816 0.391 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -5.206 -5.763 1.574 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -6.558 -3.902 -0.636 1.00 -0.09 C ATOM 0 H ILE A 69 -8.672 -3.867 2.728 1.00 -0.46 H new ATOM 0 HA ILE A 69 -7.839 -6.448 2.389 1.00 0.04 H new ATOM 0 HB ILE A 69 -6.241 -3.922 2.061 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -7.399 -5.811 -0.037 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -8.280 -4.426 0.577 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -4.587 -5.312 0.798 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -4.656 -5.777 2.515 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -5.461 -6.783 1.288 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -7.139 -3.862 -1.558 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -6.461 -2.898 -0.224 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -5.567 -4.304 -0.848 1.00 -0.09 H new ATOM 996 N PRO A 70 -6.038 -5.169 4.963 1.00 -0.23 N ATOM 997 CA PRO A 70 -5.194 -5.693 6.027 1.00 0.04 C ATOM 998 C PRO A 70 -5.766 -6.881 6.785 1.00 0.53 C ATOM 999 O PRO A 70 -5.103 -7.908 6.764 1.00 -0.50 O ATOM 1000 CB PRO A 70 -4.860 -4.415 6.850 1.00 -0.12 C ATOM 1001 CG PRO A 70 -5.742 -3.274 6.278 1.00 -0.12 C ATOM 1002 CD PRO A 70 -6.102 -3.722 4.841 1.00 -0.01 C ATOM 0 HA PRO A 70 -4.289 -6.181 5.665 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -5.068 -4.571 7.909 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -3.802 -4.166 6.766 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -6.638 -3.129 6.881 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -5.204 -2.326 6.272 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -7.092 -3.379 4.541 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -5.395 -3.341 4.104 1.00 -0.01 H new ATOM 1010 N PRO A 71 -6.949 -6.865 7.453 1.00 -0.23 N ATOM 1011 CA PRO A 71 -7.429 -8.085 8.089 1.00 0.04 C ATOM 1012 C PRO A 71 -7.891 -9.111 7.075 1.00 0.53 C ATOM 1013 O PRO A 71 -7.867 -10.287 7.401 1.00 -0.50 O ATOM 1014 CB PRO A 71 -8.607 -7.516 8.919 1.00 -0.12 C ATOM 1015 CG PRO A 71 -9.099 -6.307 8.092 1.00 -0.12 C ATOM 1016 CD PRO A 71 -7.782 -5.679 7.575 1.00 -0.01 C ATOM 0 HA PRO A 71 -6.679 -8.622 8.670 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -9.396 -8.256 9.051 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -8.284 -7.213 9.915 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -9.748 -6.616 7.272 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -9.668 -5.606 8.702 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -7.914 -5.166 6.622 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -7.368 -4.952 8.274 1.00 -0.01 H new ATOM 1024 N LYS A 72 -8.311 -8.728 5.846 1.00 -0.46 N ATOM 1025 CA LYS A 72 -8.802 -9.716 4.874 1.00 0.04 C ATOM 1026 C LYS A 72 -7.614 -10.395 4.222 1.00 0.62 C ATOM 1027 O LYS A 72 -7.381 -10.209 3.038 1.00 -0.50 O ATOM 1028 CB LYS A 72 -9.767 -8.984 3.899 1.00 -0.10 C ATOM 1029 CG LYS A 72 -10.567 -9.884 2.920 1.00 -0.16 C ATOM 1030 CD LYS A 72 -11.693 -9.033 2.265 1.00 -0.18 C ATOM 1031 CE LYS A 72 -12.488 -9.800 1.176 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -13.664 -9.005 0.744 1.00 -0.14 N ATOM 0 H LYS A 72 -8.318 -7.763 5.515 1.00 -0.46 H new ATOM 0 HA LYS A 72 -9.377 -10.520 5.333 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -10.477 -8.406 4.490 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -9.186 -8.272 3.313 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -9.906 -10.289 2.154 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -10.996 -10.733 3.452 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -12.383 -8.698 3.040 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -11.253 -8.140 1.822 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -11.844 -10.004 0.321 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -12.815 -10.764 1.565 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -14.019 -9.374 -0.162 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -14.413 -9.074 1.463 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -13.386 -8.010 0.628 1.00 -0.14 H new ATOM 1046 N CYS A 73 -6.866 -11.188 5.030 1.00 -0.46 N ATOM 1047 CA CYS A 73 -5.617 -11.849 4.630 1.00 0.04 C ATOM 1048 C CYS A 73 -4.666 -11.788 5.815 1.00 0.62 C ATOM 1049 O CYS A 73 -4.012 -12.785 6.078 1.00 -0.50 O ATOM 1050 CB CYS A 73 -4.927 -11.385 3.317 1.00 -0.10 C ATOM 1051 SG CYS A 73 -5.761 -12.211 1.908 1.00 0.82 S ATOM 0 H CYS A 73 -7.128 -11.384 5.996 1.00 -0.46 H new ATOM 0 HA CYS A 73 -5.900 -12.867 4.363 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -4.993 -10.302 3.215 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -3.867 -11.640 3.334 1.00 -0.10 H new ATOM 1056 N GLY A 74 -4.605 -10.659 6.563 1.00 -0.46 N ATOM 1057 CA GLY A 74 -3.994 -10.686 7.896 1.00 0.04 C ATOM 1058 C GLY A 74 -2.652 -10.001 8.012 1.00 0.62 C ATOM 1059 O GLY A 74 -1.659 -10.684 8.205 1.00 -0.50 O ATOM 0 H GLY A 74 -4.962 -9.750 6.270 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -4.682 -10.220 8.601 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -3.879 -11.726 8.203 1.00 0.04 H new ATOM 1063 N VAL A 75 -2.600 -8.652 7.933 1.00 -0.46 N ATOM 1064 CA VAL A 75 -1.361 -7.929 8.256 1.00 0.04 C ATOM 1065 C VAL A 75 -1.656 -6.450 8.383 1.00 0.62 C ATOM 1066 O VAL A 75 -2.683 -6.040 7.867 1.00 -0.50 O ATOM 1067 CB VAL A 75 -0.217 -8.225 7.227 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 0.274 -6.970 6.445 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 1.005 -8.909 7.902 1.00 -0.09 C ATOM 0 H VAL A 75 -3.383 -8.060 7.655 1.00 -0.46 H new ATOM 0 HA VAL A 75 -0.989 -8.288 9.215 1.00 0.04 H new ATOM 0 HB VAL A 75 -0.672 -8.904 6.506 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 1.066 -7.259 5.754 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -0.558 -6.541 5.886 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 0.658 -6.231 7.148 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 1.776 -9.097 7.154 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 1.404 -8.256 8.678 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 0.693 -9.854 8.347 1.00 -0.09 H new ATOM 1079 N ASN A 76 -0.789 -5.643 9.039 1.00 -0.46 N ATOM 1080 CA ASN A 76 -0.978 -4.189 9.070 1.00 0.04 C ATOM 1081 C ASN A 76 0.321 -3.510 8.699 1.00 0.62 C ATOM 1082 O ASN A 76 1.336 -4.189 8.664 1.00 -0.50 O ATOM 1083 CB ASN A 76 -1.457 -3.758 10.479 1.00 -0.09 C ATOM 1084 CG ASN A 76 -0.364 -4.001 11.490 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -0.359 -5.049 12.115 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 0.590 -3.064 11.669 1.00 -0.87 N ATOM 0 H ASN A 76 0.033 -5.975 9.544 1.00 -0.46 H new ATOM 0 HA ASN A 76 -1.740 -3.893 8.349 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -1.730 -2.703 10.473 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -2.351 -4.317 10.756 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 1.341 -3.223 12.341 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 0.560 -2.197 11.132 1.00 -0.87 H new ATOM 1093 N LEU A 77 0.315 -2.186 8.416 1.00 -0.46 N ATOM 1094 CA LEU A 77 1.548 -1.516 7.998 1.00 0.04 C ATOM 1095 C LEU A 77 2.284 -0.909 9.169 1.00 0.62 C ATOM 1096 O LEU A 77 1.609 -0.583 10.133 1.00 -0.50 O ATOM 1097 CB LEU A 77 1.247 -0.402 6.957 1.00 -0.06 C ATOM 1098 CG LEU A 77 0.433 -0.897 5.725 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 0.437 0.194 4.618 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 0.997 -2.233 5.169 1.00 -0.11 C ATOM 0 H LEU A 77 -0.507 -1.585 8.470 1.00 -0.46 H new ATOM 0 HA LEU A 77 2.181 -2.280 7.547 1.00 0.04 H new ATOM 0 HB2 LEU A 77 0.695 0.401 7.447 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 2.189 0.024 6.611 1.00 -0.06 H new ATOM 0 HG LEU A 77 -0.592 -1.081 6.047 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -0.134 -0.158 3.759 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 -0.015 1.107 5.005 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 1.463 0.399 4.313 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 0.405 -2.549 4.310 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 2.033 -2.091 4.863 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 0.949 -2.998 5.944 1.00 -0.11 H new ATOM 1112 N PRO A 78 3.631 -0.716 9.151 1.00 -0.23 N ATOM 1113 CA PRO A 78 4.270 -0.031 10.268 1.00 0.04 C ATOM 1114 C PRO A 78 3.825 1.408 10.440 1.00 0.53 C ATOM 1115 O PRO A 78 4.079 1.933 11.512 1.00 -0.50 O ATOM 1116 CB PRO A 78 5.763 -0.152 9.869 1.00 -0.12 C ATOM 1117 CG PRO A 78 5.732 -0.319 8.334 1.00 -0.12 C ATOM 1118 CD PRO A 78 4.500 -1.213 8.085 1.00 -0.01 C ATOM 0 HA PRO A 78 4.023 -0.459 11.239 1.00 0.04 H new ATOM 0 HB2 PRO A 78 6.327 0.734 10.162 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 6.237 -1.006 10.353 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 5.637 0.642 7.829 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 6.645 -0.785 7.964 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 4.071 -1.071 7.093 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 4.724 -2.275 8.186 1.00 -0.01 H new ATOM 1126 N TYR A 79 3.168 2.073 9.456 1.00 -0.46 N ATOM 1127 CA TYR A 79 2.670 3.434 9.688 1.00 0.04 C ATOM 1128 C TYR A 79 1.321 3.667 9.038 1.00 0.62 C ATOM 1129 O TYR A 79 1.261 4.285 7.989 1.00 -0.50 O ATOM 1130 CB TYR A 79 3.723 4.498 9.271 1.00 -0.10 C ATOM 1131 CG TYR A 79 4.198 4.319 7.821 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 5.217 3.401 7.547 1.00 0.00 C ATOM 1133 CD2 TYR A 79 3.644 5.053 6.762 1.00 0.00 C ATOM 1134 CE1 TYR A 79 5.527 3.071 6.227 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 3.978 4.744 5.439 1.00 -0.26 C ATOM 1136 CZ TYR A 79 4.851 3.689 5.172 1.00 0.46 C ATOM 1137 OH TYR A 79 5.036 3.253 3.864 1.00 -0.53 O ATOM 0 H TYR A 79 2.980 1.696 8.527 1.00 -0.46 H new ATOM 0 HA TYR A 79 2.511 3.545 10.761 1.00 0.04 H new ATOM 0 HB2 TYR A 79 3.295 5.494 9.390 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 4.581 4.438 9.941 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 5.765 2.946 8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.957 5.860 6.969 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.291 2.336 6.021 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 3.561 5.321 4.627 1.00 -0.26 H new ATOM 0 HH TYR A 79 4.488 3.794 3.258 1.00 -0.53 H new ATOM 1147 N THR A 80 0.215 3.201 9.667 1.00 -0.46 N ATOM 1148 CA THR A 80 -1.117 3.633 9.229 1.00 0.04 C ATOM 1149 C THR A 80 -1.300 3.364 7.747 1.00 0.62 C ATOM 1150 O THR A 80 -0.658 2.446 7.265 1.00 -0.50 O ATOM 1151 CB THR A 80 -1.291 5.117 9.684 1.00 0.17 C ATOM 1152 OG1 THR A 80 -0.376 6.000 9.014 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -1.021 5.276 11.203 1.00 -0.19 C ATOM 0 H THR A 80 0.223 2.549 10.451 1.00 -0.46 H new ATOM 0 HA THR A 80 -1.923 3.062 9.690 1.00 0.04 H new ATOM 0 HB THR A 80 -2.320 5.377 9.436 1.00 0.17 H new ATOM 0 HG1 THR A 80 0.067 5.519 8.284 1.00 -0.55 H new ATOM 0 HG21 THR A 80 -1.150 6.320 11.488 1.00 -0.19 H new ATOM 0 HG22 THR A 80 -1.722 4.657 11.764 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -0.001 4.963 11.426 1.00 -0.19 H new ATOM 1161 N ILE A 81 -2.144 4.104 6.988 1.00 -0.46 N ATOM 1162 CA ILE A 81 -2.277 3.853 5.548 1.00 0.04 C ATOM 1163 C ILE A 81 -2.418 5.222 4.906 1.00 0.62 C ATOM 1164 O ILE A 81 -3.341 5.927 5.277 1.00 -0.50 O ATOM 1165 CB ILE A 81 -3.453 2.845 5.349 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -3.332 1.986 4.053 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 -4.856 3.500 5.498 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 -3.284 2.811 2.745 1.00 -0.09 C ATOM 0 H ILE A 81 -2.727 4.861 7.346 1.00 -0.46 H new ATOM 0 HA ILE A 81 -1.427 3.373 5.063 1.00 0.04 H new ATOM 0 HB ILE A 81 -3.356 2.143 6.177 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -2.431 1.377 4.118 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -4.178 1.300 4.005 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -5.628 2.745 5.348 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -4.954 3.926 6.496 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -4.970 4.288 4.754 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -3.200 2.137 1.893 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -4.196 3.400 2.653 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -2.422 3.478 2.767 1.00 -0.09 H new ATOM 1180 N SER A 82 -1.525 5.674 3.990 1.00 -0.46 N ATOM 1181 CA SER A 82 -1.514 7.096 3.624 1.00 0.04 C ATOM 1182 C SER A 82 -2.488 7.493 2.530 1.00 0.62 C ATOM 1183 O SER A 82 -2.215 8.451 1.822 1.00 -0.50 O ATOM 1184 CB SER A 82 -0.078 7.578 3.284 1.00 0.02 C ATOM 1185 OG SER A 82 0.880 7.291 4.319 1.00 -0.55 O ATOM 0 H SER A 82 -0.833 5.095 3.513 1.00 -0.46 H new ATOM 0 HA SER A 82 -1.871 7.609 4.517 1.00 0.04 H new ATOM 0 HB2 SER A 82 0.246 7.105 2.357 1.00 0.02 H new ATOM 0 HB3 SER A 82 -0.096 8.653 3.104 1.00 0.02 H new ATOM 0 HG SER A 82 0.951 8.061 4.921 1.00 -0.55 H new ATOM 1191 N LEU A 83 -3.640 6.803 2.379 1.00 -0.46 N ATOM 1192 CA LEU A 83 -4.691 7.272 1.475 1.00 0.04 C ATOM 1193 C LEU A 83 -5.599 8.083 2.373 1.00 0.62 C ATOM 1194 O LEU A 83 -6.597 7.540 2.814 1.00 -0.50 O ATOM 1195 CB LEU A 83 -5.432 6.078 0.811 1.00 -0.06 C ATOM 1196 CG LEU A 83 -4.666 5.415 -0.376 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -3.144 5.289 -0.116 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 -5.265 4.010 -0.668 1.00 -0.11 C ATOM 0 H LEU A 83 -3.856 5.934 2.867 1.00 -0.46 H new ATOM 0 HA LEU A 83 -4.309 7.860 0.641 1.00 0.04 H new ATOM 0 HB2 LEU A 83 -5.625 5.320 1.570 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 -6.402 6.424 0.452 1.00 -0.06 H new ATOM 0 HG LEU A 83 -4.790 6.068 -1.240 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -2.665 4.821 -0.976 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -2.718 6.280 0.041 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 -2.976 4.677 0.770 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 -4.727 3.550 -1.497 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 -5.170 3.383 0.218 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 -6.318 4.111 -0.930 1.00 -0.11 H new ATOM 1210 N ASN A 84 -5.215 9.355 2.651 1.00 -0.46 N ATOM 1211 CA ASN A 84 -5.935 10.245 3.570 1.00 0.04 C ATOM 1212 C ASN A 84 -4.996 10.630 4.698 1.00 0.62 C ATOM 1213 O ASN A 84 -4.895 11.808 5.000 1.00 -0.50 O ATOM 1214 CB ASN A 84 -7.283 9.753 4.170 1.00 -0.09 C ATOM 1215 CG ASN A 84 -8.336 9.502 3.115 1.00 0.68 C ATOM 1216 OD1 ASN A 84 -8.135 9.851 1.962 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 -9.485 8.899 3.480 1.00 -0.87 N ATOM 0 H ASN A 84 -4.389 9.786 2.235 1.00 -0.46 H new ATOM 0 HA ASN A 84 -6.238 11.082 2.941 1.00 0.04 H new ATOM 0 HB2 ASN A 84 -7.112 8.835 4.732 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 -7.653 10.495 4.877 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 -10.212 8.724 2.786 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 -9.627 8.617 4.450 1.00 -0.87 H new ATOM 1224 N ILE A 85 -4.286 9.663 5.325 1.00 -0.46 N ATOM 1225 CA ILE A 85 -3.334 10.021 6.384 1.00 0.04 C ATOM 1226 C ILE A 85 -2.110 10.601 5.695 1.00 0.62 C ATOM 1227 O ILE A 85 -1.865 10.259 4.546 1.00 -0.50 O ATOM 1228 CB ILE A 85 -3.016 8.828 7.346 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 -4.223 8.436 8.257 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 -1.800 9.129 8.270 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 -5.515 8.027 7.504 1.00 -0.09 C ATOM 0 H ILE A 85 -4.354 8.666 5.121 1.00 -0.46 H new ATOM 0 HA ILE A 85 -3.764 10.767 7.053 1.00 0.04 H new ATOM 0 HB ILE A 85 -2.786 7.995 6.682 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 -3.919 7.609 8.899 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 -4.453 9.278 8.909 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 -1.616 8.273 8.920 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 -0.917 9.317 7.659 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 -2.014 10.008 8.879 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 -6.292 7.774 8.225 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 -5.853 8.857 6.883 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -5.310 7.162 6.873 1.00 -0.09 H new ATOM 1243 N ASP A 86 -1.326 11.496 6.341 1.00 -0.46 N ATOM 1244 CA ASP A 86 -0.138 12.049 5.684 1.00 0.04 C ATOM 1245 C ASP A 86 0.851 10.959 5.325 1.00 0.62 C ATOM 1246 O ASP A 86 0.696 9.839 5.784 1.00 -0.50 O ATOM 1247 CB ASP A 86 0.537 13.116 6.586 1.00 -0.40 C ATOM 1248 CG ASP A 86 -0.464 14.194 6.898 1.00 0.71 C ATOM 1249 OD1 ASP A 86 -1.373 13.919 7.727 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 -0.355 15.304 6.312 1.00 -0.72 O ATOM 0 H ASP A 86 -1.494 11.837 7.288 1.00 -0.46 H new ATOM 0 HA ASP A 86 -0.462 12.526 4.759 1.00 0.04 H new ATOM 0 HB2 ASP A 86 0.897 12.658 7.507 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 1.405 13.542 6.082 1.00 -0.40 H new ATOM 1255 N CYS A 87 1.888 11.244 4.502 1.00 -0.46 N ATOM 1256 CA CYS A 87 2.810 10.172 4.119 1.00 0.04 C ATOM 1257 C CYS A 87 3.456 9.575 5.355 1.00 0.62 C ATOM 1258 O CYS A 87 3.710 8.382 5.347 1.00 -0.50 O ATOM 1259 CB CYS A 87 3.852 10.588 3.037 1.00 -0.10 C ATOM 1260 SG CYS A 87 4.090 9.294 1.761 1.00 0.82 S ATOM 0 H CYS A 87 2.094 12.163 4.111 1.00 -0.46 H new ATOM 0 HA CYS A 87 2.216 9.399 3.631 1.00 0.04 H new ATOM 0 HB2 CYS A 87 3.525 11.511 2.558 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 4.807 10.799 3.518 1.00 -0.10 H new ATOM 1265 N SER A 88 3.721 10.366 6.422 1.00 -0.46 N ATOM 1266 CA SER A 88 4.230 9.784 7.669 1.00 0.04 C ATOM 1267 C SER A 88 5.446 8.935 7.368 1.00 0.62 C ATOM 1268 O SER A 88 5.371 7.717 7.436 1.00 -0.50 O ATOM 1269 CB SER A 88 3.097 8.990 8.374 1.00 0.02 C ATOM 1270 OG SER A 88 2.002 9.852 8.724 1.00 -0.55 O ATOM 0 H SER A 88 3.593 11.378 6.439 1.00 -0.46 H new ATOM 0 HA SER A 88 4.546 10.567 8.358 1.00 0.04 H new ATOM 0 HB2 SER A 88 2.743 8.195 7.717 1.00 0.02 H new ATOM 0 HB3 SER A 88 3.488 8.511 9.272 1.00 0.02 H new ATOM 0 HG SER A 88 1.437 9.999 7.937 1.00 -0.55 H new ATOM 1276 N ARG A 89 6.586 9.571 7.018 1.00 -0.46 N ATOM 1277 CA ARG A 89 7.730 8.814 6.507 1.00 0.04 C ATOM 1278 C ARG A 89 8.708 8.378 7.581 1.00 0.62 C ATOM 1279 O ARG A 89 9.741 7.838 7.217 1.00 -0.50 O ATOM 1280 CB ARG A 89 8.455 9.641 5.408 1.00 -0.08 C ATOM 1281 CG ARG A 89 7.449 10.189 4.354 1.00 -0.10 C ATOM 1282 CD ARG A 89 8.131 10.776 3.087 1.00 -0.23 C ATOM 1283 NE ARG A 89 8.952 11.956 3.386 1.00 -0.32 N ATOM 1284 CZ ARG A 89 9.684 12.587 2.493 1.00 0.76 C ATOM 1285 NH1 ARG A 89 9.724 12.232 1.233 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 10.404 13.616 2.868 1.00 -0.62 N ATOM 0 H ARG A 89 6.729 10.579 7.080 1.00 -0.46 H new ATOM 0 HA ARG A 89 7.331 7.892 6.083 1.00 0.04 H new ATOM 0 HB2 ARG A 89 8.990 10.471 5.869 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 9.200 9.018 4.913 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 6.776 9.385 4.055 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 6.836 10.962 4.817 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 8.755 10.010 2.627 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 7.366 11.045 2.358 1.00 -0.23 H new ATOM 0 HE ARG A 89 8.955 12.308 4.343 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 9.173 11.437 0.909 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 10.306 12.751 0.575 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 10.392 13.919 3.842 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 10.976 14.114 2.186 1.00 -0.62 H new ATOM 1300 N VAL A 90 8.430 8.594 8.890 1.00 -0.46 N ATOM 1301 CA VAL A 90 9.404 8.257 9.933 1.00 0.04 C ATOM 1302 C VAL A 90 8.702 7.851 11.208 1.00 0.62 C ATOM 1303 O VAL A 90 7.488 7.942 11.325 1.00 -0.50 O ATOM 1304 CB VAL A 90 10.351 9.460 10.222 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 11.225 9.814 8.988 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 9.556 10.713 10.686 1.00 -0.09 C ATOM 1307 OXT VAL A 90 9.493 7.386 12.181 1.00 0.00 O ATOM 0 H VAL A 90 7.556 8.992 9.234 1.00 -0.46 H new ATOM 0 HA VAL A 90 9.999 7.419 9.570 1.00 0.04 H new ATOM 0 HB VAL A 90 11.012 9.149 11.031 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 11.871 10.658 9.230 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 11.837 8.954 8.717 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 10.581 10.079 8.150 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 10.248 11.532 10.879 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 8.853 11.007 9.906 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 9.008 10.479 11.599 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 -2.420 -2.997 3.770 1.00 -0.12 C HETATM 1320 C2 E2P A 91 -1.599 -3.817 2.744 1.00 -0.07 C HETATM 1321 C3 E2P A 91 -1.007 -2.969 1.580 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -1.872 -2.916 0.282 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -3.327 -2.357 0.367 1.00 -0.06 C HETATM 1324 C6 E2P A 91 -3.522 -0.828 0.609 1.00 0.16 C HETATM 1325 O6 E2P A 91 -3.365 -0.411 1.974 1.00 -0.46 O HETATM 1326 C7 E2P A 91 -2.730 -0.007 -0.385 1.00 0.02 C HETATM 1327 C8 E2P A 91 -1.441 0.312 -0.218 1.00 -0.14 C HETATM 1328 C9 E2P A 91 -0.617 1.032 -1.206 1.00 0.02 C HETATM 1329 C10 E2P A 91 -1.205 1.801 -2.363 1.00 -0.01 C HETATM 1330 C11 E2P A 91 0.007 2.485 -3.058 1.00 -0.02 C HETATM 1331 C12 E2P A 91 1.159 1.859 -2.329 1.00 0.21 C HETATM 1332 O12 E2P A 91 2.331 1.982 -2.648 1.00 -0.34 O HETATM 1333 C13 E2P A 91 0.719 1.050 -1.195 1.00 -0.11 C HETATM 1334 C14 E2P A 91 1.651 0.333 -0.250 1.00 0.04 C HETATM 1335 C15 E2P A 91 1.828 1.051 1.070 1.00 -0.12 C HETATM 1336 C16 E2P A 91 2.959 1.575 1.569 1.00 -0.11 C HETATM 1337 C17 E2P A 91 4.312 1.631 0.896 1.00 -0.01 C HETATM 1338 C18 E2P A 91 5.285 0.494 1.328 1.00 -0.07 C HETATM 1339 C19 E2P A 91 4.575 -0.855 1.585 1.00 -0.01 C HETATM 1340 C20 E2P A 91 3.917 -0.900 2.931 1.00 0.35 C HETATM 1341 O21 E2P A 91 3.244 -2.019 3.149 1.00 -0.38 O HETATM 1342 O20 E2P A 91 3.987 0.001 3.752 1.00 -0.35 O HETATM 0 H192 E2P A 91 3.827 -1.023 0.811 1.00 -0.01 H new HETATM 0 H191 E2P A 91 5.300 -1.666 1.509 1.00 -0.01 H new HETATM 0 H182 E2P A 91 6.040 0.357 0.553 1.00 -0.07 H new HETATM 0 H181 E2P A 91 5.809 0.799 2.234 1.00 -0.07 H new HETATM 0 H172 E2P A 91 4.171 1.583 -0.184 1.00 -0.01 H new HETATM 0 H171 E2P A 91 4.775 2.593 1.115 1.00 -0.01 H new HETATM 0 H142 E2P A 91 1.267 -0.670 -0.062 1.00 0.04 H new HETATM 0 H141 E2P A 91 2.624 0.218 -0.727 1.00 0.04 H new HETATM 0 H102 E2P A 91 -1.730 1.138 -3.050 1.00 -0.01 H new HETATM 0 H101 E2P A 91 -1.929 2.539 -2.018 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 -4.236 -0.145 2.337 1.00 -0.46 H new HETATM 0 H8 E2P A 91 -0.965 0.018 0.718 1.00 -0.14 H new HETATM 0 H79 E2P A 91 0.037 2.278 -4.128 1.00 -0.02 H new HETATM 0 H78 E2P A 91 -0.012 3.569 -2.943 1.00 -0.02 H new HETATM 0 H7 E2P A 91 -3.236 0.343 -1.285 1.00 0.02 H new HETATM 0 H6 E2P A 91 -4.575 -0.624 0.416 1.00 0.16 H new HETATM 0 H52 E2P A 91 -3.836 -2.614 -0.562 1.00 -0.06 H new HETATM 0 H51 E2P A 91 -3.840 -2.888 1.169 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -1.331 -2.317 -0.450 1.00 -0.07 H new HETATM 0 H41 E2P A 91 -1.931 -3.929 -0.116 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -0.855 -1.950 1.936 1.00 -0.07 H new HETATM 0 H31 E2P A 91 -0.025 -3.368 1.326 1.00 -0.07 H new HETATM 0 H22 E2P A 91 -0.783 -4.318 3.265 1.00 -0.07 H new HETATM 0 H21 E2P A 91 -2.236 -4.596 2.324 1.00 -0.07 H new HETATM 0 H16 E2P A 91 2.895 2.007 2.568 1.00 -0.11 H new HETATM 0 H15 E2P A 91 0.935 1.155 1.686 1.00 -0.12 H new HETATM 0 H13 E2P A 91 -2.797 -3.661 4.548 1.00 -0.12 H new HETATM 0 H12 E2P A 91 -1.783 -2.235 4.220 1.00 -0.12 H new HETATM 0 H11 E2P A 91 -3.258 -2.517 3.265 1.00 -0.12 H new