USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 855 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 59 TYR OH : rot 83:sc= 0.112 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 142:sc= 0.0204 (180deg=-0.0637) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0564 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 106:sc= 1.14 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -3.38! C(o=-4.6!,f=-3.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -80:sc= -1.21 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 CYS SG : rot -21:sc= -0.0907 USER MOD Single : A 71 HIS : no HD1:sc= -1.96! C(o=-2!,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0593 (180deg=-0.411) USER MOD Single : A 73 GLN :FLIP amide:sc= -2.32! C(o=-3.2!,f=-2.3!) USER MOD Single : A 80 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.084) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.266 (180deg=-1.11) USER MOD Single : A 90 ASN : amide:sc= -1.91 K(o=-1.9,f=-8!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00143 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 25:sc= 0.69 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -111:sc= -1.05 (180deg=-3.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.837 43.089 -65.846 1.00 0.00 N ATOM 2 CA GLY A 1 3.926 41.965 -64.933 1.00 0.00 C ATOM 3 C GLY A 1 5.268 41.263 -65.007 1.00 0.00 C ATOM 4 O GLY A 1 5.994 41.400 -65.991 1.00 0.00 O ATOM 0 H1 GLY A 1 3.984 43.975 -65.321 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.566 42.997 -66.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.897 43.102 -66.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.758 42.314 -63.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.133 41.252 -65.161 1.00 0.00 H new ATOM 8 N SER A 2 5.598 40.510 -63.962 1.00 0.00 N ATOM 9 CA SER A 2 6.864 39.789 -63.910 1.00 0.00 C ATOM 10 C SER A 2 6.915 38.867 -62.695 1.00 0.00 C ATOM 11 O SER A 2 5.999 38.855 -61.873 1.00 0.00 O ATOM 12 CB SER A 2 8.035 40.773 -63.867 1.00 0.00 C ATOM 13 OG SER A 2 8.203 41.309 -62.566 1.00 0.00 O ATOM 0 H SER A 2 5.006 40.384 -63.141 1.00 0.00 H new ATOM 0 HA SER A 2 6.944 39.180 -64.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.950 40.268 -64.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.861 41.581 -64.577 1.00 0.00 H new ATOM 0 HG SER A 2 8.958 41.933 -62.564 1.00 0.00 H new ATOM 19 N SER A 3 7.992 38.096 -62.590 1.00 0.00 N ATOM 20 CA SER A 3 8.162 37.168 -61.478 1.00 0.00 C ATOM 21 C SER A 3 8.817 37.861 -60.287 1.00 0.00 C ATOM 22 O SER A 3 9.289 38.991 -60.395 1.00 0.00 O ATOM 23 CB SER A 3 9.006 35.968 -61.912 1.00 0.00 C ATOM 24 OG SER A 3 8.377 35.256 -62.964 1.00 0.00 O ATOM 0 H SER A 3 8.760 38.095 -63.261 1.00 0.00 H new ATOM 0 HA SER A 3 7.175 36.818 -61.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.989 36.309 -62.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.163 35.304 -61.062 1.00 0.00 H new ATOM 0 HG SER A 3 8.937 34.495 -63.224 1.00 0.00 H new ATOM 30 N GLY A 4 8.841 37.172 -59.150 1.00 0.00 N ATOM 31 CA GLY A 4 9.439 37.736 -57.954 1.00 0.00 C ATOM 32 C GLY A 4 9.843 36.673 -56.951 1.00 0.00 C ATOM 33 O GLY A 4 9.722 35.478 -57.221 1.00 0.00 O ATOM 0 H GLY A 4 8.457 36.234 -59.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.316 38.321 -58.231 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.732 38.422 -57.487 1.00 0.00 H new ATOM 37 N SER A 5 10.328 37.108 -55.793 1.00 0.00 N ATOM 38 CA SER A 5 10.757 36.185 -54.748 1.00 0.00 C ATOM 39 C SER A 5 10.209 36.610 -53.389 1.00 0.00 C ATOM 40 O SER A 5 9.544 37.639 -53.270 1.00 0.00 O ATOM 41 CB SER A 5 12.284 36.115 -54.697 1.00 0.00 C ATOM 42 OG SER A 5 12.822 35.761 -55.959 1.00 0.00 O ATOM 0 H SER A 5 10.434 38.094 -55.554 1.00 0.00 H new ATOM 0 HA SER A 5 10.363 35.197 -54.985 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.685 37.079 -54.385 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.593 35.385 -53.949 1.00 0.00 H new ATOM 0 HG SER A 5 13.800 35.725 -55.899 1.00 0.00 H new ATOM 48 N SER A 6 10.495 35.810 -52.367 1.00 0.00 N ATOM 49 CA SER A 6 10.028 36.099 -51.016 1.00 0.00 C ATOM 50 C SER A 6 11.202 36.197 -50.046 1.00 0.00 C ATOM 51 O SER A 6 12.351 35.964 -50.418 1.00 0.00 O ATOM 52 CB SER A 6 9.053 35.018 -50.547 1.00 0.00 C ATOM 53 OG SER A 6 7.782 35.180 -51.153 1.00 0.00 O ATOM 0 H SER A 6 11.048 34.957 -52.449 1.00 0.00 H new ATOM 0 HA SER A 6 9.512 37.059 -51.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.452 34.033 -50.790 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.951 35.062 -49.463 1.00 0.00 H new ATOM 0 HG SER A 6 7.177 34.476 -50.838 1.00 0.00 H new ATOM 59 N GLY A 7 10.902 36.544 -48.797 1.00 0.00 N ATOM 60 CA GLY A 7 11.941 36.667 -47.792 1.00 0.00 C ATOM 61 C GLY A 7 11.731 35.725 -46.623 1.00 0.00 C ATOM 62 O GLY A 7 10.761 34.968 -46.594 1.00 0.00 O ATOM 0 H GLY A 7 9.958 36.742 -48.464 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.910 36.464 -48.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.969 37.694 -47.427 1.00 0.00 H new ATOM 66 N ILE A 8 12.643 35.771 -45.657 1.00 0.00 N ATOM 67 CA ILE A 8 12.553 34.915 -44.481 1.00 0.00 C ATOM 68 C ILE A 8 12.817 35.705 -43.204 1.00 0.00 C ATOM 69 O ILE A 8 13.642 36.618 -43.187 1.00 0.00 O ATOM 70 CB ILE A 8 13.548 33.742 -44.561 1.00 0.00 C ATOM 71 CG1 ILE A 8 13.283 32.903 -45.812 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.454 32.882 -43.310 1.00 0.00 C ATOM 73 CD1 ILE A 8 13.973 33.431 -47.051 1.00 0.00 C ATOM 0 H ILE A 8 13.452 36.392 -45.666 1.00 0.00 H new ATOM 0 HA ILE A 8 11.538 34.519 -44.456 1.00 0.00 H new ATOM 0 HB ILE A 8 14.558 34.146 -44.626 1.00 0.00 H new ATOM 0 HG12 ILE A 8 13.613 31.880 -45.630 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.209 32.864 -45.993 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.163 32.057 -43.381 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.688 33.487 -42.434 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.443 32.485 -43.217 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.741 32.787 -47.899 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.625 34.443 -47.258 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.051 33.444 -46.890 1.00 0.00 H new ATOM 85 N ASP A 9 12.111 35.347 -42.137 1.00 0.00 N ATOM 86 CA ASP A 9 12.271 36.021 -40.854 1.00 0.00 C ATOM 87 C ASP A 9 12.685 35.032 -39.768 1.00 0.00 C ATOM 88 O ASP A 9 12.608 33.818 -39.959 1.00 0.00 O ATOM 89 CB ASP A 9 10.970 36.720 -40.455 1.00 0.00 C ATOM 90 CG ASP A 9 10.363 37.509 -41.599 1.00 0.00 C ATOM 91 OD1 ASP A 9 9.987 36.887 -42.614 1.00 0.00 O ATOM 92 OD2 ASP A 9 10.264 38.748 -41.478 1.00 0.00 O ATOM 0 H ASP A 9 11.423 34.594 -42.135 1.00 0.00 H new ATOM 0 HA ASP A 9 13.058 36.768 -40.960 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.252 35.976 -40.109 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.163 37.390 -39.617 1.00 0.00 H new ATOM 97 N SER A 10 13.124 35.560 -38.630 1.00 0.00 N ATOM 98 CA SER A 10 13.555 34.723 -37.516 1.00 0.00 C ATOM 99 C SER A 10 12.764 35.051 -36.253 1.00 0.00 C ATOM 100 O SER A 10 11.976 35.995 -36.229 1.00 0.00 O ATOM 101 CB SER A 10 15.051 34.913 -37.258 1.00 0.00 C ATOM 102 OG SER A 10 15.826 34.155 -38.171 1.00 0.00 O ATOM 0 H SER A 10 13.191 36.563 -38.455 1.00 0.00 H new ATOM 0 HA SER A 10 13.368 33.682 -37.781 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.307 35.969 -37.347 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.288 34.612 -36.237 1.00 0.00 H new ATOM 0 HG SER A 10 16.778 34.295 -37.987 1.00 0.00 H new ATOM 108 N GLY A 11 12.981 34.262 -35.205 1.00 0.00 N ATOM 109 CA GLY A 11 12.282 34.484 -33.953 1.00 0.00 C ATOM 110 C GLY A 11 12.974 33.823 -32.778 1.00 0.00 C ATOM 111 O GLY A 11 14.196 33.667 -32.774 1.00 0.00 O ATOM 0 H GLY A 11 13.628 33.474 -35.201 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.204 35.556 -33.769 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.265 34.100 -34.035 1.00 0.00 H new ATOM 115 N LEU A 12 12.194 33.434 -31.776 1.00 0.00 N ATOM 116 CA LEU A 12 12.739 32.787 -30.587 1.00 0.00 C ATOM 117 C LEU A 12 11.774 31.737 -30.047 1.00 0.00 C ATOM 118 O LEU A 12 10.683 31.546 -30.586 1.00 0.00 O ATOM 119 CB LEU A 12 13.035 33.828 -29.506 1.00 0.00 C ATOM 120 CG LEU A 12 13.892 35.019 -29.938 1.00 0.00 C ATOM 121 CD1 LEU A 12 13.623 36.221 -29.047 1.00 0.00 C ATOM 122 CD2 LEU A 12 15.369 34.651 -29.909 1.00 0.00 C ATOM 0 H LEU A 12 11.181 33.555 -31.763 1.00 0.00 H new ATOM 0 HA LEU A 12 13.667 32.290 -30.868 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.087 34.207 -29.126 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.535 33.329 -28.676 1.00 0.00 H new ATOM 0 HG LEU A 12 13.624 35.284 -30.961 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.242 37.059 -29.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.571 36.498 -29.118 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.863 35.969 -28.014 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.964 35.510 -30.219 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.652 34.360 -28.897 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.550 33.819 -30.590 1.00 0.00 H new ATOM 134 N SER A 13 12.181 31.060 -28.978 1.00 0.00 N ATOM 135 CA SER A 13 11.353 30.028 -28.365 1.00 0.00 C ATOM 136 C SER A 13 11.281 30.216 -26.853 1.00 0.00 C ATOM 137 O SER A 13 12.297 30.334 -26.167 1.00 0.00 O ATOM 138 CB SER A 13 11.906 28.640 -28.692 1.00 0.00 C ATOM 139 OG SER A 13 11.207 27.632 -27.981 1.00 0.00 O ATOM 0 H SER A 13 13.079 31.208 -28.518 1.00 0.00 H new ATOM 0 HA SER A 13 10.346 30.115 -28.773 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.825 28.456 -29.763 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.966 28.599 -28.440 1.00 0.00 H new ATOM 0 HG SER A 13 11.578 26.754 -28.209 1.00 0.00 H new ATOM 145 N PRO A 14 10.051 30.246 -26.318 1.00 0.00 N ATOM 146 CA PRO A 14 9.816 30.418 -24.882 1.00 0.00 C ATOM 147 C PRO A 14 10.244 29.199 -24.074 1.00 0.00 C ATOM 148 O PRO A 14 10.688 28.196 -24.633 1.00 0.00 O ATOM 149 CB PRO A 14 8.300 30.614 -24.792 1.00 0.00 C ATOM 150 CG PRO A 14 7.758 29.935 -26.002 1.00 0.00 C ATOM 151 CD PRO A 14 8.795 30.112 -27.076 1.00 0.00 C ATOM 0 HA PRO A 14 10.392 31.247 -24.471 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.898 30.176 -23.879 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.038 31.672 -24.781 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.575 28.878 -25.807 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.806 30.374 -26.302 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.823 29.258 -27.752 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.597 30.994 -27.685 1.00 0.00 H new ATOM 159 N SER A 15 10.108 29.291 -22.755 1.00 0.00 N ATOM 160 CA SER A 15 10.485 28.196 -21.869 1.00 0.00 C ATOM 161 C SER A 15 9.285 27.716 -21.058 1.00 0.00 C ATOM 162 O SER A 15 8.210 28.314 -21.104 1.00 0.00 O ATOM 163 CB SER A 15 11.608 28.636 -20.927 1.00 0.00 C ATOM 164 OG SER A 15 11.102 29.424 -19.864 1.00 0.00 O ATOM 0 H SER A 15 9.739 30.113 -22.276 1.00 0.00 H new ATOM 0 HA SER A 15 10.840 27.370 -22.485 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.114 27.759 -20.524 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.352 29.206 -21.484 1.00 0.00 H new ATOM 0 HG SER A 15 11.839 29.691 -19.275 1.00 0.00 H new ATOM 170 N VAL A 16 9.477 26.631 -20.314 1.00 0.00 N ATOM 171 CA VAL A 16 8.412 26.070 -19.491 1.00 0.00 C ATOM 172 C VAL A 16 8.939 25.644 -18.126 1.00 0.00 C ATOM 173 O VAL A 16 10.025 25.073 -18.017 1.00 0.00 O ATOM 174 CB VAL A 16 7.753 24.857 -20.176 1.00 0.00 C ATOM 175 CG1 VAL A 16 6.661 24.273 -19.293 1.00 0.00 C ATOM 176 CG2 VAL A 16 7.197 25.251 -21.536 1.00 0.00 C ATOM 0 H VAL A 16 10.360 26.123 -20.264 1.00 0.00 H new ATOM 0 HA VAL A 16 7.666 26.854 -19.361 1.00 0.00 H new ATOM 0 HB VAL A 16 8.513 24.090 -20.328 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.207 23.418 -19.793 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.093 23.952 -18.345 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.900 25.030 -19.107 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.735 24.383 -22.006 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.451 26.035 -21.411 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.006 25.618 -22.168 1.00 0.00 H new ATOM 186 N LEU A 17 8.163 25.926 -17.085 1.00 0.00 N ATOM 187 CA LEU A 17 8.551 25.572 -15.723 1.00 0.00 C ATOM 188 C LEU A 17 7.389 24.926 -14.977 1.00 0.00 C ATOM 189 O LEU A 17 6.282 24.820 -15.504 1.00 0.00 O ATOM 190 CB LEU A 17 9.030 26.814 -14.969 1.00 0.00 C ATOM 191 CG LEU A 17 7.943 27.801 -14.545 1.00 0.00 C ATOM 192 CD1 LEU A 17 8.464 28.739 -13.467 1.00 0.00 C ATOM 193 CD2 LEU A 17 7.442 28.592 -15.745 1.00 0.00 C ATOM 0 H LEU A 17 7.262 26.398 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 17 9.367 24.852 -15.779 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.566 26.489 -14.077 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.747 27.342 -15.597 1.00 0.00 H new ATOM 0 HG LEU A 17 7.107 27.235 -14.133 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.676 29.434 -13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.773 28.158 -12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.317 29.297 -13.852 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.669 29.290 -15.424 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.270 29.146 -16.187 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.028 27.907 -16.485 1.00 0.00 H new ATOM 205 N MET A 18 7.649 24.496 -13.746 1.00 0.00 N ATOM 206 CA MET A 18 6.623 23.863 -12.925 1.00 0.00 C ATOM 207 C MET A 18 6.316 24.707 -11.692 1.00 0.00 C ATOM 208 O MET A 18 7.041 25.650 -11.378 1.00 0.00 O ATOM 209 CB MET A 18 7.070 22.463 -12.501 1.00 0.00 C ATOM 210 CG MET A 18 6.711 21.380 -13.505 1.00 0.00 C ATOM 211 SD MET A 18 7.338 19.758 -13.031 1.00 0.00 S ATOM 212 CE MET A 18 5.983 19.150 -12.029 1.00 0.00 C ATOM 0 H MET A 18 8.561 24.574 -13.296 1.00 0.00 H new ATOM 0 HA MET A 18 5.715 23.781 -13.522 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.150 22.465 -12.352 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.616 22.221 -11.540 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.627 21.330 -13.608 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.112 21.649 -14.482 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.222 18.152 -11.661 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.826 19.820 -11.184 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.076 19.107 -12.631 1.00 0.00 H new ATOM 222 N ALA A 19 5.236 24.362 -10.998 1.00 0.00 N ATOM 223 CA ALA A 19 4.835 25.087 -9.799 1.00 0.00 C ATOM 224 C ALA A 19 4.457 24.126 -8.677 1.00 0.00 C ATOM 225 O ALA A 19 4.184 22.950 -8.920 1.00 0.00 O ATOM 226 CB ALA A 19 3.674 26.020 -10.110 1.00 0.00 C ATOM 0 H ALA A 19 4.623 23.585 -11.246 1.00 0.00 H new ATOM 0 HA ALA A 19 5.685 25.681 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.385 26.555 -9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.977 26.736 -10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.827 25.438 -10.474 1.00 0.00 H new ATOM 232 N SER A 20 4.444 24.633 -7.449 1.00 0.00 N ATOM 233 CA SER A 20 4.105 23.818 -6.288 1.00 0.00 C ATOM 234 C SER A 20 2.931 24.424 -5.524 1.00 0.00 C ATOM 235 O SER A 20 2.967 25.589 -5.132 1.00 0.00 O ATOM 236 CB SER A 20 5.315 23.681 -5.363 1.00 0.00 C ATOM 237 OG SER A 20 6.246 22.744 -5.876 1.00 0.00 O ATOM 0 H SER A 20 4.664 25.605 -7.232 1.00 0.00 H new ATOM 0 HA SER A 20 3.814 22.829 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.798 24.651 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.986 23.366 -4.373 1.00 0.00 H new ATOM 0 HG SER A 20 7.011 22.676 -5.267 1.00 0.00 H new ATOM 243 N ASN A 21 1.892 23.622 -5.316 1.00 0.00 N ATOM 244 CA ASN A 21 0.706 24.078 -4.599 1.00 0.00 C ATOM 245 C ASN A 21 0.201 23.000 -3.644 1.00 0.00 C ATOM 246 O ASN A 21 0.098 21.830 -4.011 1.00 0.00 O ATOM 247 CB ASN A 21 -0.398 24.458 -5.588 1.00 0.00 C ATOM 248 CG ASN A 21 -0.312 25.909 -6.020 1.00 0.00 C ATOM 249 OD1 ASN A 21 0.382 26.242 -6.981 1.00 0.00 O ATOM 250 ND2 ASN A 21 -1.018 26.781 -5.310 1.00 0.00 N ATOM 0 H ASN A 21 1.847 22.654 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 21 0.979 24.957 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.332 23.816 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.370 24.275 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.999 27.771 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.580 26.461 -4.521 1.00 0.00 H new ATOM 257 N SER A 22 -0.115 23.405 -2.418 1.00 0.00 N ATOM 258 CA SER A 22 -0.607 22.475 -1.409 1.00 0.00 C ATOM 259 C SER A 22 -2.106 22.655 -1.189 1.00 0.00 C ATOM 260 O SER A 22 -2.540 23.608 -0.544 1.00 0.00 O ATOM 261 CB SER A 22 0.141 22.677 -0.090 1.00 0.00 C ATOM 262 OG SER A 22 0.020 21.539 0.745 1.00 0.00 O ATOM 0 H SER A 22 -0.039 24.371 -2.100 1.00 0.00 H new ATOM 0 HA SER A 22 -0.429 21.461 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.194 22.873 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.253 23.553 0.425 1.00 0.00 H new ATOM 0 HG SER A 22 0.508 21.693 1.581 1.00 0.00 H new ATOM 268 N GLY A 23 -2.893 21.730 -1.732 1.00 0.00 N ATOM 269 CA GLY A 23 -4.335 21.804 -1.585 1.00 0.00 C ATOM 270 C GLY A 23 -4.934 20.503 -1.089 1.00 0.00 C ATOM 271 O GLY A 23 -5.900 19.998 -1.662 1.00 0.00 O ATOM 0 H GLY A 23 -2.557 20.931 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.586 22.605 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.782 22.064 -2.544 1.00 0.00 H new ATOM 275 N ARG A 24 -4.360 19.958 -0.021 1.00 0.00 N ATOM 276 CA ARG A 24 -4.842 18.706 0.550 1.00 0.00 C ATOM 277 C ARG A 24 -6.356 18.739 0.731 1.00 0.00 C ATOM 278 O ARG A 24 -6.922 19.758 1.127 1.00 0.00 O ATOM 279 CB ARG A 24 -4.163 18.440 1.895 1.00 0.00 C ATOM 280 CG ARG A 24 -4.471 19.488 2.951 1.00 0.00 C ATOM 281 CD ARG A 24 -3.599 19.311 4.184 1.00 0.00 C ATOM 282 NE ARG A 24 -2.179 19.466 3.876 1.00 0.00 N ATOM 283 CZ ARG A 24 -1.257 19.750 4.789 1.00 0.00 C ATOM 284 NH1 ARG A 24 -1.602 19.908 6.059 1.00 0.00 N ATOM 285 NH2 ARG A 24 0.015 19.875 4.431 1.00 0.00 N ATOM 0 H ARG A 24 -3.561 20.364 0.466 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.593 17.901 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.476 17.463 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.084 18.394 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.315 20.483 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.521 19.422 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.888 20.041 4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.772 18.323 4.612 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.880 19.350 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.578 19.812 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.891 20.126 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.284 19.753 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.723 20.093 5.132 1.00 0.00 H new ATOM 299 N ARG A 25 -7.006 17.617 0.437 1.00 0.00 N ATOM 300 CA ARG A 25 -8.455 17.518 0.565 1.00 0.00 C ATOM 301 C ARG A 25 -8.881 16.075 0.821 1.00 0.00 C ATOM 302 O ARG A 25 -8.088 15.147 0.663 1.00 0.00 O ATOM 303 CB ARG A 25 -9.138 18.046 -0.698 1.00 0.00 C ATOM 304 CG ARG A 25 -9.437 19.536 -0.651 1.00 0.00 C ATOM 305 CD ARG A 25 -10.255 19.978 -1.854 1.00 0.00 C ATOM 306 NE ARG A 25 -11.663 19.612 -1.723 1.00 0.00 N ATOM 307 CZ ARG A 25 -12.502 19.539 -2.750 1.00 0.00 C ATOM 308 NH1 ARG A 25 -12.077 19.805 -3.978 1.00 0.00 N ATOM 309 NH2 ARG A 25 -13.769 19.199 -2.551 1.00 0.00 N ATOM 0 H ARG A 25 -6.552 16.765 0.109 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.761 18.126 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.502 17.839 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.070 17.502 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.979 19.771 0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.502 20.095 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.171 21.058 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.845 19.525 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.022 19.401 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.104 20.066 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.723 19.748 -4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.100 18.993 -1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.412 19.143 -3.341 1.00 0.00 H new ATOM 323 N SER A 26 -10.137 15.895 1.216 1.00 0.00 N ATOM 324 CA SER A 26 -10.667 14.566 1.498 1.00 0.00 C ATOM 325 C SER A 26 -11.495 14.052 0.324 1.00 0.00 C ATOM 326 O SER A 26 -11.974 14.830 -0.500 1.00 0.00 O ATOM 327 CB SER A 26 -11.521 14.593 2.767 1.00 0.00 C ATOM 328 OG SER A 26 -12.497 15.619 2.703 1.00 0.00 O ATOM 0 H SER A 26 -10.807 16.653 1.348 1.00 0.00 H new ATOM 0 HA SER A 26 -9.825 13.890 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.011 13.628 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.882 14.748 3.636 1.00 0.00 H new ATOM 0 HG SER A 26 -13.031 15.614 3.525 1.00 0.00 H new ATOM 334 N ALA A 27 -11.658 12.735 0.256 1.00 0.00 N ATOM 335 CA ALA A 27 -12.430 12.115 -0.814 1.00 0.00 C ATOM 336 C ALA A 27 -12.690 10.641 -0.521 1.00 0.00 C ATOM 337 O ALA A 27 -11.921 9.976 0.174 1.00 0.00 O ATOM 338 CB ALA A 27 -11.707 12.271 -2.144 1.00 0.00 C ATOM 0 H ALA A 27 -11.266 12.077 0.929 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.393 12.622 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.294 11.804 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.578 13.330 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.730 11.791 -2.086 1.00 0.00 H new ATOM 344 N PRO A 28 -13.800 10.117 -1.062 1.00 0.00 N ATOM 345 CA PRO A 28 -14.187 8.716 -0.871 1.00 0.00 C ATOM 346 C PRO A 28 -13.257 7.753 -1.603 1.00 0.00 C ATOM 347 O PRO A 28 -12.447 8.150 -2.441 1.00 0.00 O ATOM 348 CB PRO A 28 -15.596 8.653 -1.465 1.00 0.00 C ATOM 349 CG PRO A 28 -15.639 9.763 -2.458 1.00 0.00 C ATOM 350 CD PRO A 28 -14.762 10.851 -1.901 1.00 0.00 C ATOM 0 HA PRO A 28 -14.137 8.419 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.783 7.690 -1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -16.356 8.781 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.278 9.430 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -16.659 10.119 -2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.261 11.408 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.336 11.571 -1.318 1.00 0.00 H new ATOM 358 N PRO A 29 -13.375 6.456 -1.281 1.00 0.00 N ATOM 359 CA PRO A 29 -12.554 5.410 -1.898 1.00 0.00 C ATOM 360 C PRO A 29 -12.911 5.180 -3.362 1.00 0.00 C ATOM 361 O PRO A 29 -13.845 5.789 -3.887 1.00 0.00 O ATOM 362 CB PRO A 29 -12.880 4.167 -1.066 1.00 0.00 C ATOM 363 CG PRO A 29 -14.239 4.426 -0.514 1.00 0.00 C ATOM 364 CD PRO A 29 -14.319 5.911 -0.291 1.00 0.00 C ATOM 0 HA PRO A 29 -11.496 5.672 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.867 3.266 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.150 4.021 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.012 4.093 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.392 3.883 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.330 6.287 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.035 6.180 0.726 1.00 0.00 H new ATOM 372 N LEU A 30 -12.164 4.298 -4.017 1.00 0.00 N ATOM 373 CA LEU A 30 -12.403 3.987 -5.422 1.00 0.00 C ATOM 374 C LEU A 30 -13.682 3.174 -5.590 1.00 0.00 C ATOM 375 O LEU A 30 -13.743 2.008 -5.203 1.00 0.00 O ATOM 376 CB LEU A 30 -11.215 3.218 -6.004 1.00 0.00 C ATOM 377 CG LEU A 30 -10.964 3.401 -7.501 1.00 0.00 C ATOM 378 CD1 LEU A 30 -9.567 2.929 -7.870 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.013 2.656 -8.313 1.00 0.00 C ATOM 0 H LEU A 30 -11.388 3.786 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.519 4.927 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.316 3.518 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.365 2.156 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.039 4.463 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.407 3.067 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.829 3.508 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.462 1.873 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.818 2.798 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.970 1.593 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.003 3.043 -8.071 1.00 0.00 H new ATOM 391 N ASN A 31 -14.701 3.797 -6.172 1.00 0.00 N ATOM 392 CA ASN A 31 -15.979 3.130 -6.394 1.00 0.00 C ATOM 393 C ASN A 31 -15.790 1.841 -7.188 1.00 0.00 C ATOM 394 O ASN A 31 -15.941 1.824 -8.410 1.00 0.00 O ATOM 395 CB ASN A 31 -16.943 4.061 -7.133 1.00 0.00 C ATOM 396 CG ASN A 31 -17.376 5.239 -6.282 1.00 0.00 C ATOM 397 OD1 ASN A 31 -16.947 6.371 -6.504 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.232 4.976 -5.301 1.00 0.00 N ATOM 0 H ASN A 31 -14.667 4.763 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.402 2.878 -5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.465 4.429 -8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.823 3.497 -7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.560 5.728 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.561 4.022 -5.154 1.00 0.00 H new ATOM 405 N LEU A 32 -15.459 0.763 -6.485 1.00 0.00 N ATOM 406 CA LEU A 32 -15.250 -0.532 -7.123 1.00 0.00 C ATOM 407 C LEU A 32 -16.476 -0.945 -7.931 1.00 0.00 C ATOM 408 O LEU A 32 -16.385 -1.200 -9.132 1.00 0.00 O ATOM 409 CB LEU A 32 -14.936 -1.596 -6.071 1.00 0.00 C ATOM 410 CG LEU A 32 -13.678 -1.361 -5.233 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.514 -2.462 -4.196 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.449 -1.280 -6.127 1.00 0.00 C ATOM 0 H LEU A 32 -15.330 0.760 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.403 -0.442 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.788 -1.674 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.839 -2.558 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.785 -0.411 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.614 -2.278 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.381 -2.472 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.429 -3.425 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.563 -1.113 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.338 -2.214 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.564 -0.455 -6.830 1.00 0.00 H new ATOM 424 N THR A 33 -17.624 -1.009 -7.264 1.00 0.00 N ATOM 425 CA THR A 33 -18.869 -1.390 -7.919 1.00 0.00 C ATOM 426 C THR A 33 -18.942 -0.824 -9.332 1.00 0.00 C ATOM 427 O THR A 33 -19.040 0.388 -9.522 1.00 0.00 O ATOM 428 CB THR A 33 -20.095 -0.907 -7.121 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.292 -1.145 -7.870 1.00 0.00 O ATOM 430 CG2 THR A 33 -19.980 0.574 -6.796 1.00 0.00 C ATOM 0 H THR A 33 -17.717 -0.802 -6.270 1.00 0.00 H new ATOM 0 HA THR A 33 -18.881 -2.479 -7.965 1.00 0.00 H new ATOM 0 HB THR A 33 -20.135 -1.466 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.067 -0.837 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.857 0.892 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.084 0.747 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.917 1.146 -7.722 1.00 0.00 H new ATOM 438 N GLY A 34 -18.894 -1.710 -10.323 1.00 0.00 N ATOM 439 CA GLY A 34 -18.957 -1.279 -11.707 1.00 0.00 C ATOM 440 C GLY A 34 -17.724 -1.676 -12.495 1.00 0.00 C ATOM 441 O GLY A 34 -17.825 -2.346 -13.524 1.00 0.00 O ATOM 0 H GLY A 34 -18.813 -2.718 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.840 -1.710 -12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.074 -0.196 -11.742 1.00 0.00 H new ATOM 445 N LEU A 35 -16.558 -1.262 -12.013 1.00 0.00 N ATOM 446 CA LEU A 35 -15.299 -1.578 -12.680 1.00 0.00 C ATOM 447 C LEU A 35 -15.229 -3.059 -13.038 1.00 0.00 C ATOM 448 O LEU A 35 -15.691 -3.925 -12.295 1.00 0.00 O ATOM 449 CB LEU A 35 -14.117 -1.202 -11.785 1.00 0.00 C ATOM 450 CG LEU A 35 -13.716 0.274 -11.788 1.00 0.00 C ATOM 451 CD1 LEU A 35 -12.894 0.606 -10.552 1.00 0.00 C ATOM 452 CD2 LEU A 35 -12.942 0.614 -13.053 1.00 0.00 C ATOM 0 H LEU A 35 -16.457 -0.707 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.249 -0.998 -13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.356 -1.491 -10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.254 -1.793 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.624 0.877 -11.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.618 1.660 -10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.483 0.401 -9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.992 -0.005 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.665 1.668 -13.038 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.041 0.003 -13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.565 0.415 -13.925 1.00 0.00 H new ATOM 464 N PRO A 36 -14.636 -3.359 -14.203 1.00 0.00 N ATOM 465 CA PRO A 36 -14.489 -4.735 -14.686 1.00 0.00 C ATOM 466 C PRO A 36 -13.489 -5.535 -13.858 1.00 0.00 C ATOM 467 O PRO A 36 -12.383 -5.071 -13.584 1.00 0.00 O ATOM 468 CB PRO A 36 -13.977 -4.557 -16.117 1.00 0.00 C ATOM 469 CG PRO A 36 -13.300 -3.230 -16.115 1.00 0.00 C ATOM 470 CD PRO A 36 -14.063 -2.377 -15.139 1.00 0.00 C ATOM 0 HA PRO A 36 -15.424 -5.292 -14.620 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.286 -5.354 -16.392 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.796 -4.583 -16.836 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.256 -3.325 -15.817 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.308 -2.786 -17.111 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.410 -1.669 -14.629 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.839 -1.795 -15.635 1.00 0.00 H new ATOM 478 N GLY A 37 -13.885 -6.742 -13.463 1.00 0.00 N ATOM 479 CA GLY A 37 -13.011 -7.587 -12.671 1.00 0.00 C ATOM 480 C GLY A 37 -13.341 -7.539 -11.193 1.00 0.00 C ATOM 481 O GLY A 37 -12.738 -8.251 -10.390 1.00 0.00 O ATOM 0 H GLY A 37 -14.795 -7.149 -13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.088 -8.615 -13.024 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.977 -7.275 -12.820 1.00 0.00 H new ATOM 485 N THR A 38 -14.302 -6.694 -10.830 1.00 0.00 N ATOM 486 CA THR A 38 -14.709 -6.553 -9.438 1.00 0.00 C ATOM 487 C THR A 38 -15.296 -7.854 -8.902 1.00 0.00 C ATOM 488 O THR A 38 -15.467 -8.017 -7.694 1.00 0.00 O ATOM 489 CB THR A 38 -15.747 -5.427 -9.267 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.279 -4.230 -9.900 1.00 0.00 O ATOM 491 CG2 THR A 38 -16.015 -5.157 -7.795 1.00 0.00 C ATOM 0 H THR A 38 -14.812 -6.097 -11.481 1.00 0.00 H new ATOM 0 HA THR A 38 -13.813 -6.301 -8.871 1.00 0.00 H new ATOM 0 HB THR A 38 -16.678 -5.746 -9.736 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.779 -4.082 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.751 -4.358 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.398 -6.062 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.088 -4.857 -7.306 1.00 0.00 H new ATOM 499 N GLU A 39 -15.602 -8.778 -9.808 1.00 0.00 N ATOM 500 CA GLU A 39 -16.170 -10.065 -9.424 1.00 0.00 C ATOM 501 C GLU A 39 -15.097 -11.150 -9.408 1.00 0.00 C ATOM 502 O GLU A 39 -15.349 -12.283 -8.999 1.00 0.00 O ATOM 503 CB GLU A 39 -17.294 -10.458 -10.385 1.00 0.00 C ATOM 504 CG GLU A 39 -16.796 -11.011 -11.710 1.00 0.00 C ATOM 505 CD GLU A 39 -17.919 -11.549 -12.576 1.00 0.00 C ATOM 506 OE1 GLU A 39 -18.569 -10.741 -13.272 1.00 0.00 O ATOM 507 OE2 GLU A 39 -18.146 -12.776 -12.558 1.00 0.00 O ATOM 0 H GLU A 39 -15.466 -8.659 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.579 -9.968 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.927 -11.204 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.918 -9.585 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.268 -10.226 -12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.076 -11.807 -11.520 1.00 0.00 H new ATOM 514 N LYS A 40 -13.898 -10.794 -9.857 1.00 0.00 N ATOM 515 CA LYS A 40 -12.784 -11.735 -9.894 1.00 0.00 C ATOM 516 C LYS A 40 -12.127 -11.855 -8.523 1.00 0.00 C ATOM 517 O LYS A 40 -11.888 -12.959 -8.032 1.00 0.00 O ATOM 518 CB LYS A 40 -11.749 -11.291 -10.930 1.00 0.00 C ATOM 519 CG LYS A 40 -12.015 -11.831 -12.325 1.00 0.00 C ATOM 520 CD LYS A 40 -10.848 -11.559 -13.259 1.00 0.00 C ATOM 521 CE LYS A 40 -10.953 -10.182 -13.897 1.00 0.00 C ATOM 522 NZ LYS A 40 -9.840 -9.927 -14.852 1.00 0.00 N ATOM 0 H LYS A 40 -13.673 -9.860 -10.200 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.176 -12.712 -10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.730 -10.202 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.760 -11.616 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.198 -12.904 -12.272 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.919 -11.373 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.912 -11.634 -12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.819 -12.321 -14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.906 -10.095 -14.419 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.945 -9.419 -13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.948 -8.979 -15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.931 -9.985 -14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.862 -10.639 -15.609 1.00 0.00 H new ATOM 536 N LEU A 41 -11.840 -10.713 -7.908 1.00 0.00 N ATOM 537 CA LEU A 41 -11.212 -10.690 -6.591 1.00 0.00 C ATOM 538 C LEU A 41 -12.263 -10.692 -5.486 1.00 0.00 C ATOM 539 O LEU A 41 -13.463 -10.708 -5.757 1.00 0.00 O ATOM 540 CB LEU A 41 -10.313 -9.460 -6.454 1.00 0.00 C ATOM 541 CG LEU A 41 -10.733 -8.229 -7.258 1.00 0.00 C ATOM 542 CD1 LEU A 41 -12.130 -7.782 -6.857 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.733 -7.099 -7.064 1.00 0.00 C ATOM 0 H LEU A 41 -12.032 -9.791 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.604 -11.589 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.268 -9.183 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.303 -9.738 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.748 -8.496 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.412 -6.905 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.839 -8.588 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.142 -7.532 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.048 -6.231 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.685 -6.833 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.748 -7.423 -7.401 1.00 0.00 H new ATOM 555 N ASN A 42 -11.803 -10.672 -4.239 1.00 0.00 N ATOM 556 CA ASN A 42 -12.704 -10.669 -3.092 1.00 0.00 C ATOM 557 C ASN A 42 -12.418 -9.482 -2.178 1.00 0.00 C ATOM 558 O ASN A 42 -11.434 -8.767 -2.364 1.00 0.00 O ATOM 559 CB ASN A 42 -12.569 -11.975 -2.307 1.00 0.00 C ATOM 560 CG ASN A 42 -11.146 -12.501 -2.300 1.00 0.00 C ATOM 561 OD1 ASN A 42 -10.618 -12.793 -3.483 1.00 0.00 O flip ATOM 562 ND2 ASN A 42 -10.530 -12.642 -1.244 1.00 0.00 N flip ATOM 0 H ASN A 42 -10.812 -10.658 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.725 -10.580 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.899 -11.815 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.229 -12.726 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.976 -12.405 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.574 -12.996 -1.255 1.00 0.00 H new ATOM 569 N GLU A 43 -13.286 -9.278 -1.192 1.00 0.00 N ATOM 570 CA GLU A 43 -13.126 -8.177 -0.250 1.00 0.00 C ATOM 571 C GLU A 43 -11.656 -7.976 0.107 1.00 0.00 C ATOM 572 O GLU A 43 -11.197 -6.848 0.286 1.00 0.00 O ATOM 573 CB GLU A 43 -13.939 -8.440 1.019 1.00 0.00 C ATOM 574 CG GLU A 43 -13.688 -9.809 1.630 1.00 0.00 C ATOM 575 CD GLU A 43 -14.560 -10.888 1.020 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.714 -10.583 0.652 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.089 -12.040 0.911 1.00 0.00 O ATOM 0 H GLU A 43 -14.107 -9.860 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.494 -7.268 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.703 -7.673 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.000 -8.344 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.640 -10.076 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.871 -9.763 2.704 1.00 0.00 H new ATOM 584 N LYS A 44 -10.922 -9.079 0.211 1.00 0.00 N ATOM 585 CA LYS A 44 -9.504 -9.027 0.546 1.00 0.00 C ATOM 586 C LYS A 44 -8.770 -8.033 -0.349 1.00 0.00 C ATOM 587 O LYS A 44 -8.304 -6.993 0.116 1.00 0.00 O ATOM 588 CB LYS A 44 -8.874 -10.415 0.408 1.00 0.00 C ATOM 589 CG LYS A 44 -8.950 -11.246 1.677 1.00 0.00 C ATOM 590 CD LYS A 44 -7.773 -10.969 2.596 1.00 0.00 C ATOM 591 CE LYS A 44 -7.993 -9.710 3.421 1.00 0.00 C ATOM 592 NZ LYS A 44 -7.261 -9.760 4.716 1.00 0.00 N ATOM 0 H LYS A 44 -11.287 -10.021 0.068 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.413 -8.695 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.372 -10.952 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.829 -10.303 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.881 -11.028 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.970 -12.305 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.622 -11.819 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.865 -10.862 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.664 -8.841 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.059 -9.582 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.437 -8.884 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.592 -10.575 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.241 -9.856 4.535 1.00 0.00 H new ATOM 606 N GLU A 45 -8.673 -8.360 -1.634 1.00 0.00 N ATOM 607 CA GLU A 45 -7.996 -7.494 -2.592 1.00 0.00 C ATOM 608 C GLU A 45 -8.773 -6.197 -2.797 1.00 0.00 C ATOM 609 O GLU A 45 -8.196 -5.109 -2.806 1.00 0.00 O ATOM 610 CB GLU A 45 -7.823 -8.215 -3.931 1.00 0.00 C ATOM 611 CG GLU A 45 -7.206 -9.598 -3.802 1.00 0.00 C ATOM 612 CD GLU A 45 -7.672 -10.548 -4.888 1.00 0.00 C ATOM 613 OE1 GLU A 45 -7.320 -10.324 -6.064 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.389 -11.516 -4.560 1.00 0.00 O ATOM 0 H GLU A 45 -9.054 -9.217 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.013 -7.249 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.796 -8.304 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.197 -7.606 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.120 -9.512 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.458 -10.015 -2.827 1.00 0.00 H new ATOM 621 N LYS A 46 -10.085 -6.320 -2.963 1.00 0.00 N ATOM 622 CA LYS A 46 -10.944 -5.160 -3.168 1.00 0.00 C ATOM 623 C LYS A 46 -10.554 -4.022 -2.229 1.00 0.00 C ATOM 624 O LYS A 46 -10.496 -2.863 -2.636 1.00 0.00 O ATOM 625 CB LYS A 46 -12.410 -5.538 -2.946 1.00 0.00 C ATOM 626 CG LYS A 46 -13.019 -6.315 -4.101 1.00 0.00 C ATOM 627 CD LYS A 46 -14.394 -6.855 -3.746 1.00 0.00 C ATOM 628 CE LYS A 46 -15.448 -5.760 -3.776 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.587 -6.061 -2.865 1.00 0.00 N ATOM 0 H LYS A 46 -10.578 -7.213 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.815 -4.821 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.489 -6.133 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.990 -4.630 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.096 -5.669 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.361 -7.141 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.668 -7.644 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.364 -7.305 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.994 -4.811 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.819 -5.641 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.284 -5.291 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.036 -6.953 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.237 -6.150 -1.890 1.00 0.00 H new ATOM 643 N GLU A 47 -10.286 -4.364 -0.972 1.00 0.00 N ATOM 644 CA GLU A 47 -9.901 -3.370 0.023 1.00 0.00 C ATOM 645 C GLU A 47 -8.738 -2.519 -0.479 1.00 0.00 C ATOM 646 O GLU A 47 -8.773 -1.290 -0.400 1.00 0.00 O ATOM 647 CB GLU A 47 -9.517 -4.053 1.337 1.00 0.00 C ATOM 648 CG GLU A 47 -8.868 -3.118 2.342 1.00 0.00 C ATOM 649 CD GLU A 47 -7.360 -3.059 2.195 1.00 0.00 C ATOM 650 OE1 GLU A 47 -6.827 -3.729 1.286 1.00 0.00 O ATOM 651 OE2 GLU A 47 -6.713 -2.343 2.987 1.00 0.00 O ATOM 0 H GLU A 47 -10.328 -5.320 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.757 -2.718 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.410 -4.490 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.833 -4.874 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.281 -2.117 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.118 -3.445 3.351 1.00 0.00 H new ATOM 658 N LEU A 48 -7.709 -3.181 -0.996 1.00 0.00 N ATOM 659 CA LEU A 48 -6.534 -2.487 -1.512 1.00 0.00 C ATOM 660 C LEU A 48 -6.912 -1.555 -2.659 1.00 0.00 C ATOM 661 O LEU A 48 -6.464 -0.409 -2.714 1.00 0.00 O ATOM 662 CB LEU A 48 -5.487 -3.497 -1.984 1.00 0.00 C ATOM 663 CG LEU A 48 -4.614 -4.119 -0.892 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.747 -5.227 -1.469 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.752 -3.055 -0.229 1.00 0.00 C ATOM 0 H LEU A 48 -7.664 -4.197 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.113 -1.887 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.999 -4.300 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.835 -3.004 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.266 -4.554 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.133 -5.658 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.383 -6.002 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.102 -4.817 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.138 -3.515 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.108 -2.591 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.392 -2.295 0.220 1.00 0.00 H new ATOM 677 N CYS A 49 -7.738 -2.054 -3.571 1.00 0.00 N ATOM 678 CA CYS A 49 -8.178 -1.265 -4.717 1.00 0.00 C ATOM 679 C CYS A 49 -8.801 0.051 -4.264 1.00 0.00 C ATOM 680 O CYS A 49 -8.821 1.028 -5.012 1.00 0.00 O ATOM 681 CB CYS A 49 -9.183 -2.059 -5.553 1.00 0.00 C ATOM 682 SG CYS A 49 -8.484 -3.521 -6.355 1.00 0.00 S ATOM 0 H CYS A 49 -8.117 -3.001 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.305 -1.040 -5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.008 -2.369 -4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.602 -1.404 -6.317 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.855 -3.164 -7.435 1.00 0.00 H new ATOM 688 N GLN A 50 -9.311 0.067 -3.037 1.00 0.00 N ATOM 689 CA GLN A 50 -9.937 1.263 -2.486 1.00 0.00 C ATOM 690 C GLN A 50 -8.930 2.089 -1.693 1.00 0.00 C ATOM 691 O GLN A 50 -8.564 3.194 -2.095 1.00 0.00 O ATOM 692 CB GLN A 50 -11.118 0.880 -1.592 1.00 0.00 C ATOM 693 CG GLN A 50 -12.160 0.025 -2.294 1.00 0.00 C ATOM 694 CD GLN A 50 -13.525 0.115 -1.641 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.237 1.108 -1.797 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.898 -0.924 -0.903 1.00 0.00 N ATOM 0 H GLN A 50 -9.303 -0.734 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.300 1.868 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.744 0.341 -0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.594 1.789 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.238 0.337 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.830 -1.014 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.276 -1.726 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.806 -0.920 -0.438 1.00 0.00 H new ATOM 705 N VAL A 51 -8.486 1.547 -0.563 1.00 0.00 N ATOM 706 CA VAL A 51 -7.521 2.233 0.287 1.00 0.00 C ATOM 707 C VAL A 51 -6.308 2.688 -0.516 1.00 0.00 C ATOM 708 O VAL A 51 -5.610 3.626 -0.130 1.00 0.00 O ATOM 709 CB VAL A 51 -7.049 1.330 1.442 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.537 0.002 0.907 1.00 0.00 C ATOM 711 CG2 VAL A 51 -5.977 2.032 2.262 1.00 0.00 C ATOM 0 H VAL A 51 -8.780 0.634 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.027 3.105 0.701 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.899 1.128 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.208 -0.622 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.336 -0.505 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.699 0.180 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.655 1.380 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.125 2.265 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.382 2.955 2.677 1.00 0.00 H new ATOM 721 N VAL A 52 -6.061 2.018 -1.637 1.00 0.00 N ATOM 722 CA VAL A 52 -4.933 2.354 -2.497 1.00 0.00 C ATOM 723 C VAL A 52 -5.399 3.058 -3.766 1.00 0.00 C ATOM 724 O VAL A 52 -4.621 3.743 -4.430 1.00 0.00 O ATOM 725 CB VAL A 52 -4.129 1.099 -2.885 1.00 0.00 C ATOM 726 CG1 VAL A 52 -2.750 1.485 -3.399 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.020 0.149 -1.702 1.00 0.00 C ATOM 0 H VAL A 52 -6.628 1.238 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.291 3.026 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.658 0.584 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.197 0.585 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.854 2.123 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.209 2.024 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.449 -0.732 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.515 0.652 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.018 -0.154 -1.386 1.00 0.00 H new ATOM 737 N ARG A 53 -6.675 2.886 -4.097 1.00 0.00 N ATOM 738 CA ARG A 53 -7.246 3.504 -5.287 1.00 0.00 C ATOM 739 C ARG A 53 -6.676 2.873 -6.554 1.00 0.00 C ATOM 740 O ARG A 53 -6.172 3.570 -7.436 1.00 0.00 O ATOM 741 CB ARG A 53 -6.972 5.009 -5.287 1.00 0.00 C ATOM 742 CG ARG A 53 -7.247 5.679 -3.951 1.00 0.00 C ATOM 743 CD ARG A 53 -7.609 7.145 -4.126 1.00 0.00 C ATOM 744 NE ARG A 53 -6.426 8.000 -4.169 1.00 0.00 N ATOM 745 CZ ARG A 53 -5.610 8.177 -3.136 1.00 0.00 C ATOM 746 NH1 ARG A 53 -5.848 7.562 -1.985 1.00 0.00 N ATOM 747 NH2 ARG A 53 -4.553 8.971 -3.252 1.00 0.00 N ATOM 0 H ARG A 53 -7.333 2.323 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.323 3.337 -5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.931 5.180 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.586 5.481 -6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.061 5.161 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.368 5.594 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.180 7.270 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.254 7.460 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.215 8.488 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.659 6.951 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.219 7.700 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.367 9.446 -4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.927 9.106 -2.458 1.00 0.00 H new ATOM 761 N LEU A 54 -6.759 1.550 -6.638 1.00 0.00 N ATOM 762 CA LEU A 54 -6.252 0.823 -7.797 1.00 0.00 C ATOM 763 C LEU A 54 -7.341 -0.049 -8.413 1.00 0.00 C ATOM 764 O LEU A 54 -7.984 -0.838 -7.721 1.00 0.00 O ATOM 765 CB LEU A 54 -5.055 -0.042 -7.398 1.00 0.00 C ATOM 766 CG LEU A 54 -4.254 -0.652 -8.549 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.077 -1.708 -9.271 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.804 0.431 -9.518 1.00 0.00 C ATOM 0 H LEU A 54 -7.173 0.958 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.933 1.553 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.380 0.564 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.413 -0.852 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.367 -1.132 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.491 -2.131 -10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.349 -2.499 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.982 -1.252 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.235 -0.021 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.677 0.940 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.176 1.151 -8.993 1.00 0.00 H new ATOM 780 N VAL A 55 -7.542 0.099 -9.719 1.00 0.00 N ATOM 781 CA VAL A 55 -8.552 -0.678 -10.429 1.00 0.00 C ATOM 782 C VAL A 55 -8.431 -2.163 -10.105 1.00 0.00 C ATOM 783 O VAL A 55 -7.338 -2.727 -10.061 1.00 0.00 O ATOM 784 CB VAL A 55 -8.438 -0.485 -11.953 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.390 -1.421 -12.682 1.00 0.00 C ATOM 786 CG2 VAL A 55 -8.709 0.964 -12.328 1.00 0.00 C ATOM 0 H VAL A 55 -7.020 0.749 -10.306 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.524 -0.315 -10.096 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.421 -0.731 -12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.296 -1.271 -13.757 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.143 -2.454 -12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.414 -1.210 -12.375 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.624 1.082 -13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.715 1.240 -12.011 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.983 1.610 -11.834 1.00 0.00 H new ATOM 796 N PRO A 56 -9.582 -2.813 -9.873 1.00 0.00 N ATOM 797 CA PRO A 56 -9.632 -4.241 -9.550 1.00 0.00 C ATOM 798 C PRO A 56 -9.263 -5.119 -10.741 1.00 0.00 C ATOM 799 O PRO A 56 -8.529 -6.096 -10.601 1.00 0.00 O ATOM 800 CB PRO A 56 -11.094 -4.464 -9.154 1.00 0.00 C ATOM 801 CG PRO A 56 -11.845 -3.388 -9.858 1.00 0.00 C ATOM 802 CD PRO A 56 -10.921 -2.202 -9.908 1.00 0.00 C ATOM 0 HA PRO A 56 -8.919 -4.507 -8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.440 -5.452 -9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.226 -4.398 -8.074 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.130 -3.703 -10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.765 -3.143 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.071 -1.613 -10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.080 -1.533 -9.063 1.00 0.00 H new ATOM 810 N GLY A 57 -9.778 -4.762 -11.914 1.00 0.00 N ATOM 811 CA GLY A 57 -9.491 -5.528 -13.113 1.00 0.00 C ATOM 812 C GLY A 57 -8.054 -5.371 -13.571 1.00 0.00 C ATOM 813 O GLY A 57 -7.565 -6.157 -14.382 1.00 0.00 O ATOM 0 H GLY A 57 -10.388 -3.957 -12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.696 -6.582 -12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.161 -5.211 -13.912 1.00 0.00 H new ATOM 817 N ALA A 58 -7.377 -4.352 -13.052 1.00 0.00 N ATOM 818 CA ALA A 58 -5.988 -4.095 -13.412 1.00 0.00 C ATOM 819 C ALA A 58 -5.034 -4.719 -12.399 1.00 0.00 C ATOM 820 O ALA A 58 -4.097 -5.428 -12.769 1.00 0.00 O ATOM 821 CB ALA A 58 -5.740 -2.598 -13.521 1.00 0.00 C ATOM 0 H ALA A 58 -7.768 -3.691 -12.381 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.798 -4.555 -14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.699 -2.420 -13.790 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.390 -2.176 -14.288 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.953 -2.123 -12.563 1.00 0.00 H new ATOM 827 N TYR A 59 -5.277 -4.451 -11.121 1.00 0.00 N ATOM 828 CA TYR A 59 -4.437 -4.984 -10.055 1.00 0.00 C ATOM 829 C TYR A 59 -4.065 -6.438 -10.330 1.00 0.00 C ATOM 830 O TYR A 59 -2.985 -6.896 -9.954 1.00 0.00 O ATOM 831 CB TYR A 59 -5.155 -4.875 -8.709 1.00 0.00 C ATOM 832 CG TYR A 59 -4.709 -5.909 -7.700 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.516 -5.760 -7.004 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.481 -7.036 -7.443 1.00 0.00 C ATOM 835 CE1 TYR A 59 -3.104 -6.703 -6.082 1.00 0.00 C ATOM 836 CE2 TYR A 59 -5.078 -7.983 -6.521 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.889 -7.812 -5.843 1.00 0.00 C ATOM 838 OH TYR A 59 -3.483 -8.753 -4.926 1.00 0.00 O ATOM 0 H TYR A 59 -6.049 -3.868 -10.798 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.521 -4.394 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.987 -3.880 -8.296 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.228 -4.976 -8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.900 -4.892 -7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.412 -7.174 -7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.172 -6.573 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.691 -8.852 -6.332 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.739 -8.464 -4.025 1.00 0.00 H new ATOM 848 N LEU A 60 -4.966 -7.158 -10.989 1.00 0.00 N ATOM 849 CA LEU A 60 -4.734 -8.560 -11.316 1.00 0.00 C ATOM 850 C LEU A 60 -3.721 -8.695 -12.449 1.00 0.00 C ATOM 851 O LEU A 60 -2.798 -9.505 -12.374 1.00 0.00 O ATOM 852 CB LEU A 60 -6.048 -9.237 -11.709 1.00 0.00 C ATOM 853 CG LEU A 60 -7.211 -9.063 -10.732 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.505 -9.576 -11.345 1.00 0.00 C ATOM 855 CD2 LEU A 60 -6.919 -9.780 -9.422 1.00 0.00 C ATOM 0 H LEU A 60 -5.864 -6.794 -11.307 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.330 -9.051 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.356 -8.852 -12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.861 -10.304 -11.834 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.328 -8.000 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.321 -9.444 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.722 -9.018 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.400 -10.634 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.758 -9.645 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.774 -10.843 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.016 -9.366 -8.974 1.00 0.00 H new ATOM 867 N GLU A 61 -3.900 -7.893 -13.494 1.00 0.00 N ATOM 868 CA GLU A 61 -3.000 -7.923 -14.641 1.00 0.00 C ATOM 869 C GLU A 61 -1.545 -7.805 -14.195 1.00 0.00 C ATOM 870 O GLU A 61 -0.644 -8.352 -14.830 1.00 0.00 O ATOM 871 CB GLU A 61 -3.340 -6.791 -15.613 1.00 0.00 C ATOM 872 CG GLU A 61 -4.359 -7.182 -16.670 1.00 0.00 C ATOM 873 CD GLU A 61 -4.931 -5.983 -17.401 1.00 0.00 C ATOM 874 OE1 GLU A 61 -4.167 -5.032 -17.668 1.00 0.00 O ATOM 875 OE2 GLU A 61 -6.142 -5.995 -17.705 1.00 0.00 O ATOM 0 H GLU A 61 -4.659 -7.216 -13.570 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.130 -8.879 -15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.723 -5.941 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.426 -6.460 -16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.890 -7.852 -17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.171 -7.737 -16.199 1.00 0.00 H new ATOM 882 N TYR A 62 -1.326 -7.087 -13.099 1.00 0.00 N ATOM 883 CA TYR A 62 0.019 -6.895 -12.568 1.00 0.00 C ATOM 884 C TYR A 62 0.500 -8.144 -11.837 1.00 0.00 C ATOM 885 O TYR A 62 1.667 -8.526 -11.937 1.00 0.00 O ATOM 886 CB TYR A 62 0.049 -5.693 -11.622 1.00 0.00 C ATOM 887 CG TYR A 62 -0.676 -4.480 -12.160 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.680 -4.195 -13.519 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.358 -3.620 -11.308 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.340 -3.087 -14.015 1.00 0.00 C ATOM 891 CE2 TYR A 62 -2.023 -2.511 -11.795 1.00 0.00 C ATOM 892 CZ TYR A 62 -2.010 -2.249 -13.149 1.00 0.00 C ATOM 893 OH TYR A 62 -2.670 -1.145 -13.639 1.00 0.00 O ATOM 0 H TYR A 62 -2.062 -6.629 -12.561 1.00 0.00 H new ATOM 0 HA TYR A 62 0.690 -6.707 -13.406 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.397 -5.980 -10.670 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.086 -5.426 -11.420 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.158 -4.851 -14.200 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.369 -3.822 -10.247 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.331 -2.879 -15.075 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.550 -1.853 -11.119 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.091 -0.661 -12.899 1.00 0.00 H new ATOM 903 N LYS A 63 -0.407 -8.779 -11.103 1.00 0.00 N ATOM 904 CA LYS A 63 -0.079 -9.987 -10.355 1.00 0.00 C ATOM 905 C LYS A 63 0.920 -10.847 -11.123 1.00 0.00 C ATOM 906 O LYS A 63 1.945 -11.259 -10.581 1.00 0.00 O ATOM 907 CB LYS A 63 -1.347 -10.793 -10.067 1.00 0.00 C ATOM 908 CG LYS A 63 -2.290 -10.114 -9.089 1.00 0.00 C ATOM 909 CD LYS A 63 -1.938 -10.451 -7.649 1.00 0.00 C ATOM 910 CE LYS A 63 -2.652 -11.710 -7.181 1.00 0.00 C ATOM 911 NZ LYS A 63 -2.506 -11.918 -5.714 1.00 0.00 N ATOM 0 H LYS A 63 -1.377 -8.477 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 63 0.376 -9.688 -9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.875 -10.971 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.065 -11.768 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.248 -9.034 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.315 -10.423 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.860 -10.588 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.208 -9.616 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.710 -11.643 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.251 -12.573 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.396 -12.292 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.738 -12.596 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.282 -11.012 -5.255 1.00 0.00 H new ATOM 925 N SER A 64 0.614 -11.114 -12.389 1.00 0.00 N ATOM 926 CA SER A 64 1.484 -11.927 -13.231 1.00 0.00 C ATOM 927 C SER A 64 2.874 -11.308 -13.333 1.00 0.00 C ATOM 928 O SER A 64 3.876 -11.949 -13.018 1.00 0.00 O ATOM 929 CB SER A 64 0.878 -12.082 -14.627 1.00 0.00 C ATOM 930 OG SER A 64 -0.343 -12.799 -14.577 1.00 0.00 O ATOM 0 H SER A 64 -0.230 -10.779 -12.854 1.00 0.00 H new ATOM 0 HA SER A 64 1.577 -12.911 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.708 -11.098 -15.064 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.582 -12.602 -15.277 1.00 0.00 H new ATOM 0 HG SER A 64 -0.710 -12.883 -15.482 1.00 0.00 H new ATOM 936 N ALA A 65 2.926 -10.056 -13.776 1.00 0.00 N ATOM 937 CA ALA A 65 4.193 -9.348 -13.918 1.00 0.00 C ATOM 938 C ALA A 65 5.012 -9.424 -12.634 1.00 0.00 C ATOM 939 O ALA A 65 6.087 -10.025 -12.606 1.00 0.00 O ATOM 940 CB ALA A 65 3.946 -7.897 -14.304 1.00 0.00 C ATOM 0 H ALA A 65 2.106 -9.511 -14.043 1.00 0.00 H new ATOM 0 HA ALA A 65 4.764 -9.831 -14.711 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.900 -7.380 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.409 -7.859 -15.252 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.352 -7.411 -13.530 1.00 0.00 H new ATOM 946 N LEU A 66 4.498 -8.811 -11.573 1.00 0.00 N ATOM 947 CA LEU A 66 5.182 -8.809 -10.285 1.00 0.00 C ATOM 948 C LEU A 66 5.700 -10.202 -9.941 1.00 0.00 C ATOM 949 O LEU A 66 6.818 -10.355 -9.448 1.00 0.00 O ATOM 950 CB LEU A 66 4.239 -8.317 -9.185 1.00 0.00 C ATOM 951 CG LEU A 66 3.886 -6.830 -9.219 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.368 -6.373 -7.865 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.094 -6.004 -9.637 1.00 0.00 C ATOM 0 H LEU A 66 3.610 -8.309 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 66 6.033 -8.132 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.314 -8.891 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.692 -8.540 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 66 3.097 -6.681 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.122 -5.312 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.475 -6.942 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.135 -6.537 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.824 -4.948 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.905 -6.159 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.420 -6.313 -10.630 1.00 0.00 H new ATOM 965 N LEU A 67 4.881 -11.214 -10.206 1.00 0.00 N ATOM 966 CA LEU A 67 5.258 -12.595 -9.927 1.00 0.00 C ATOM 967 C LEU A 67 6.182 -13.138 -11.012 1.00 0.00 C ATOM 968 O LEU A 67 6.904 -14.110 -10.796 1.00 0.00 O ATOM 969 CB LEU A 67 4.009 -13.473 -9.819 1.00 0.00 C ATOM 970 CG LEU A 67 3.058 -13.148 -8.667 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.703 -13.801 -8.893 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.654 -13.597 -7.341 1.00 0.00 C ATOM 0 H LEU A 67 3.952 -11.104 -10.613 1.00 0.00 H new ATOM 0 HA LEU A 67 5.793 -12.615 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.454 -13.397 -10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.326 -14.511 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 67 2.916 -12.068 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.039 -13.559 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.271 -13.431 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.826 -14.882 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.964 -13.358 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.826 -14.673 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.600 -13.082 -7.174 1.00 0.00 H new ATOM 984 N ASN A 68 6.156 -12.500 -12.178 1.00 0.00 N ATOM 985 CA ASN A 68 6.993 -12.918 -13.296 1.00 0.00 C ATOM 986 C ASN A 68 8.467 -12.652 -13.002 1.00 0.00 C ATOM 987 O ASN A 68 9.300 -13.553 -13.093 1.00 0.00 O ATOM 988 CB ASN A 68 6.577 -12.185 -14.573 1.00 0.00 C ATOM 989 CG ASN A 68 6.830 -13.009 -15.821 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.973 -13.329 -16.146 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.760 -13.357 -16.527 1.00 0.00 N ATOM 0 H ASN A 68 5.565 -11.692 -12.373 1.00 0.00 H new ATOM 0 HA ASN A 68 6.857 -13.990 -13.438 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.518 -11.933 -14.516 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.125 -11.245 -14.644 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.868 -13.912 -17.376 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.831 -13.069 -16.220 1.00 0.00 H new ATOM 998 N GLU A 69 8.779 -11.410 -12.647 1.00 0.00 N ATOM 999 CA GLU A 69 10.152 -11.026 -12.340 1.00 0.00 C ATOM 1000 C GLU A 69 10.700 -11.852 -11.179 1.00 0.00 C ATOM 1001 O GLU A 69 11.703 -12.553 -11.322 1.00 0.00 O ATOM 1002 CB GLU A 69 10.225 -9.537 -11.999 1.00 0.00 C ATOM 1003 CG GLU A 69 11.554 -8.894 -12.360 1.00 0.00 C ATOM 1004 CD GLU A 69 11.645 -8.529 -13.829 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.211 -7.415 -14.191 1.00 0.00 O ATOM 1006 OE2 GLU A 69 12.149 -9.356 -14.617 1.00 0.00 O ATOM 0 H GLU A 69 8.100 -10.653 -12.565 1.00 0.00 H new ATOM 0 HA GLU A 69 10.762 -11.219 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.424 -9.014 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.047 -9.408 -10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.695 -7.997 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.365 -9.578 -12.108 1.00 0.00 H new ATOM 1013 N CYS A 70 10.037 -11.762 -10.032 1.00 0.00 N ATOM 1014 CA CYS A 70 10.458 -12.499 -8.846 1.00 0.00 C ATOM 1015 C CYS A 70 10.660 -13.977 -9.167 1.00 0.00 C ATOM 1016 O CYS A 70 11.578 -14.615 -8.651 1.00 0.00 O ATOM 1017 CB CYS A 70 9.423 -12.345 -7.730 1.00 0.00 C ATOM 1018 SG CYS A 70 9.836 -13.235 -6.212 1.00 0.00 S ATOM 0 H CYS A 70 9.206 -11.186 -9.898 1.00 0.00 H new ATOM 0 HA CYS A 70 11.409 -12.085 -8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.310 -11.286 -7.498 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.458 -12.697 -8.093 1.00 0.00 H new ATOM 0 HG CYS A 70 10.681 -14.186 -6.482 1.00 0.00 H new ATOM 1024 N HIS A 71 9.796 -14.515 -10.021 1.00 0.00 N ATOM 1025 CA HIS A 71 9.879 -15.918 -10.411 1.00 0.00 C ATOM 1026 C HIS A 71 11.232 -16.227 -11.045 1.00 0.00 C ATOM 1027 O HIS A 71 11.760 -17.329 -10.900 1.00 0.00 O ATOM 1028 CB HIS A 71 8.754 -16.266 -11.386 1.00 0.00 C ATOM 1029 CG HIS A 71 7.500 -16.734 -10.712 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.322 -16.965 -11.390 1.00 0.00 N ATOM 1031 CD2 HIS A 71 7.246 -17.015 -9.413 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.397 -17.366 -10.537 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.932 -17.406 -9.330 1.00 0.00 N ATOM 0 H HIS A 71 9.030 -14.001 -10.456 1.00 0.00 H new ATOM 0 HA HIS A 71 9.772 -16.526 -9.513 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.525 -15.389 -11.992 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.102 -17.042 -12.067 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.946 -16.945 -8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.376 -17.618 -10.784 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.448 -17.682 -8.476 1.00 0.00 H new ATOM 1042 N LYS A 72 11.786 -15.246 -11.750 1.00 0.00 N ATOM 1043 CA LYS A 72 13.078 -15.412 -12.407 1.00 0.00 C ATOM 1044 C LYS A 72 14.221 -15.219 -11.416 1.00 0.00 C ATOM 1045 O LYS A 72 14.979 -16.148 -11.141 1.00 0.00 O ATOM 1046 CB LYS A 72 13.216 -14.417 -13.562 1.00 0.00 C ATOM 1047 CG LYS A 72 12.062 -14.465 -14.547 1.00 0.00 C ATOM 1048 CD LYS A 72 11.832 -13.114 -15.203 1.00 0.00 C ATOM 1049 CE LYS A 72 12.882 -12.823 -16.264 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.791 -13.772 -17.409 1.00 0.00 N ATOM 0 H LYS A 72 11.361 -14.328 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 72 13.130 -16.427 -12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.293 -13.409 -13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.146 -14.618 -14.094 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.268 -15.212 -15.313 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.155 -14.779 -14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.841 -13.092 -15.655 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.853 -12.332 -14.444 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.758 -11.803 -16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.875 -12.885 -15.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.249 -13.354 -18.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.269 -14.662 -17.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.791 -13.964 -17.622 1.00 0.00 H new ATOM 1064 N GLN A 73 14.337 -14.007 -10.882 1.00 0.00 N ATOM 1065 CA GLN A 73 15.388 -13.694 -9.921 1.00 0.00 C ATOM 1066 C GLN A 73 15.120 -14.372 -8.581 1.00 0.00 C ATOM 1067 O GLN A 73 15.959 -15.114 -8.071 1.00 0.00 O ATOM 1068 CB GLN A 73 15.497 -12.181 -9.727 1.00 0.00 C ATOM 1069 CG GLN A 73 14.196 -11.529 -9.285 1.00 0.00 C ATOM 1070 CD GLN A 73 14.110 -10.069 -9.683 1.00 0.00 C ATOM 1071 OE1 GLN A 73 14.301 -9.793 -10.968 1.00 0.00 O flip ATOM 1072 NE2 GLN A 73 13.876 -9.198 -8.845 1.00 0.00 N flip ATOM 0 H GLN A 73 13.717 -13.227 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 73 16.331 -14.071 -10.317 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.268 -11.973 -8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.823 -11.726 -10.662 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.356 -12.070 -9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.102 -11.613 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.736 -9.455 -7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.822 -8.219 -9.128 1.00 0.00 H new ATOM 1081 N GLY A 74 13.945 -14.113 -8.016 1.00 0.00 N ATOM 1082 CA GLY A 74 13.588 -14.705 -6.740 1.00 0.00 C ATOM 1083 C GLY A 74 13.296 -13.664 -5.678 1.00 0.00 C ATOM 1084 O GLY A 74 12.477 -13.888 -4.788 1.00 0.00 O ATOM 0 H GLY A 74 13.234 -13.503 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.713 -15.341 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.401 -15.347 -6.401 1.00 0.00 H new ATOM 1088 N GLY A 75 13.970 -12.521 -5.771 1.00 0.00 N ATOM 1089 CA GLY A 75 13.766 -11.459 -4.803 1.00 0.00 C ATOM 1090 C GLY A 75 13.369 -10.150 -5.455 1.00 0.00 C ATOM 1091 O GLY A 75 14.171 -9.525 -6.149 1.00 0.00 O ATOM 0 H GLY A 75 14.653 -12.312 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.992 -11.759 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.682 -11.313 -4.230 1.00 0.00 H new ATOM 1095 N LEU A 76 12.127 -9.733 -5.232 1.00 0.00 N ATOM 1096 CA LEU A 76 11.623 -8.490 -5.805 1.00 0.00 C ATOM 1097 C LEU A 76 11.254 -7.496 -4.708 1.00 0.00 C ATOM 1098 O LEU A 76 10.530 -7.832 -3.770 1.00 0.00 O ATOM 1099 CB LEU A 76 10.405 -8.768 -6.687 1.00 0.00 C ATOM 1100 CG LEU A 76 10.150 -7.766 -7.814 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.163 -7.951 -8.933 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.732 -7.912 -8.346 1.00 0.00 C ATOM 0 H LEU A 76 11.451 -10.238 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 76 12.413 -8.054 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.519 -9.759 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.521 -8.802 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 76 10.264 -6.759 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.965 -7.229 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.169 -7.795 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.082 -8.961 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.568 -7.191 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.590 -8.922 -8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.021 -7.728 -7.541 1.00 0.00 H new ATOM 1114 N ARG A 77 11.754 -6.271 -4.833 1.00 0.00 N ATOM 1115 CA ARG A 77 11.476 -5.228 -3.853 1.00 0.00 C ATOM 1116 C ARG A 77 10.513 -4.191 -4.422 1.00 0.00 C ATOM 1117 O ARG A 77 10.055 -4.310 -5.559 1.00 0.00 O ATOM 1118 CB ARG A 77 12.776 -4.549 -3.417 1.00 0.00 C ATOM 1119 CG ARG A 77 13.666 -4.136 -4.578 1.00 0.00 C ATOM 1120 CD ARG A 77 14.801 -3.235 -4.117 1.00 0.00 C ATOM 1121 NE ARG A 77 14.310 -2.054 -3.412 1.00 0.00 N ATOM 1122 CZ ARG A 77 15.104 -1.122 -2.897 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.420 -1.233 -3.009 1.00 0.00 N ATOM 1124 NH2 ARG A 77 14.582 -0.076 -2.270 1.00 0.00 N ATOM 0 H ARG A 77 12.354 -5.976 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 77 11.009 -5.694 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.534 -3.667 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.331 -5.227 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.077 -5.025 -5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.070 -3.617 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.467 -3.797 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.390 -2.924 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 77 13.302 -1.938 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.825 -2.035 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.028 -0.516 -2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.570 0.013 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.193 0.639 -1.875 1.00 0.00 H new ATOM 1138 N LEU A 78 10.209 -3.173 -3.624 1.00 0.00 N ATOM 1139 CA LEU A 78 9.299 -2.114 -4.047 1.00 0.00 C ATOM 1140 C LEU A 78 9.790 -1.457 -5.333 1.00 0.00 C ATOM 1141 O LEU A 78 9.075 -1.421 -6.335 1.00 0.00 O ATOM 1142 CB LEU A 78 9.161 -1.063 -2.945 1.00 0.00 C ATOM 1143 CG LEU A 78 8.300 0.155 -3.282 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.865 -0.266 -3.557 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.352 1.175 -2.154 1.00 0.00 C ATOM 0 H LEU A 78 10.579 -3.059 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 78 8.324 -2.561 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.743 -1.545 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.158 -0.715 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 78 8.700 0.620 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.267 0.614 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.844 -0.958 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.454 -0.756 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.733 2.035 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.978 0.722 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.382 1.501 -2.005 1.00 0.00 H new ATOM 1157 N ALA A 79 11.014 -0.940 -5.299 1.00 0.00 N ATOM 1158 CA ALA A 79 11.601 -0.289 -6.463 1.00 0.00 C ATOM 1159 C ALA A 79 11.268 -1.047 -7.743 1.00 0.00 C ATOM 1160 O ALA A 79 10.622 -0.511 -8.642 1.00 0.00 O ATOM 1161 CB ALA A 79 13.108 -0.168 -6.295 1.00 0.00 C ATOM 0 H ALA A 79 11.618 -0.960 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 79 11.174 0.711 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.534 0.320 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.329 0.424 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.543 -1.162 -6.186 1.00 0.00 H new ATOM 1167 N GLN A 80 11.714 -2.297 -7.818 1.00 0.00 N ATOM 1168 CA GLN A 80 11.464 -3.128 -8.989 1.00 0.00 C ATOM 1169 C GLN A 80 9.968 -3.324 -9.209 1.00 0.00 C ATOM 1170 O GLN A 80 9.511 -3.475 -10.341 1.00 0.00 O ATOM 1171 CB GLN A 80 12.151 -4.486 -8.834 1.00 0.00 C ATOM 1172 CG GLN A 80 13.523 -4.403 -8.184 1.00 0.00 C ATOM 1173 CD GLN A 80 14.442 -5.528 -8.618 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.032 -6.218 -7.786 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.569 -5.719 -9.926 1.00 0.00 N ATOM 0 H GLN A 80 12.250 -2.756 -7.082 1.00 0.00 H new ATOM 0 HA GLN A 80 11.877 -2.618 -9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.515 -5.140 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.251 -4.948 -9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.982 -3.447 -8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.410 -4.429 -7.100 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.061 -5.123 -10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.174 -6.461 -10.277 1.00 0.00 H new ATOM 1184 N ALA A 81 9.209 -3.320 -8.117 1.00 0.00 N ATOM 1185 CA ALA A 81 7.764 -3.495 -8.190 1.00 0.00 C ATOM 1186 C ALA A 81 7.104 -2.318 -8.901 1.00 0.00 C ATOM 1187 O ALA A 81 6.226 -2.503 -9.744 1.00 0.00 O ATOM 1188 CB ALA A 81 7.182 -3.666 -6.795 1.00 0.00 C ATOM 0 H ALA A 81 9.572 -3.197 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 81 7.560 -4.396 -8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.102 -3.796 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.623 -4.543 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.403 -2.782 -6.197 1.00 0.00 H new ATOM 1194 N ARG A 82 7.530 -1.108 -8.553 1.00 0.00 N ATOM 1195 CA ARG A 82 6.978 0.099 -9.156 1.00 0.00 C ATOM 1196 C ARG A 82 7.494 0.279 -10.581 1.00 0.00 C ATOM 1197 O ARG A 82 6.915 1.023 -11.372 1.00 0.00 O ATOM 1198 CB ARG A 82 7.335 1.325 -8.314 1.00 0.00 C ATOM 1199 CG ARG A 82 8.823 1.634 -8.290 1.00 0.00 C ATOM 1200 CD ARG A 82 9.080 3.109 -8.019 1.00 0.00 C ATOM 1201 NE ARG A 82 9.182 3.882 -9.254 1.00 0.00 N ATOM 1202 CZ ARG A 82 10.151 3.716 -10.148 1.00 0.00 C ATOM 1203 NH1 ARG A 82 11.097 2.809 -9.944 1.00 0.00 N ATOM 1204 NH2 ARG A 82 10.175 4.458 -11.247 1.00 0.00 N ATOM 0 H ARG A 82 8.256 -0.938 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 82 5.894 -0.005 -9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.799 2.191 -8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.989 1.167 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.309 1.032 -7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.269 1.355 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.274 3.511 -7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.001 3.217 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 82 8.470 4.588 -9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.082 2.237 -9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.840 2.683 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.449 5.157 -11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.919 4.330 -11.933 1.00 0.00 H new ATOM 1218 N ALA A 83 8.587 -0.406 -10.900 1.00 0.00 N ATOM 1219 CA ALA A 83 9.180 -0.322 -12.229 1.00 0.00 C ATOM 1220 C ALA A 83 8.576 -1.362 -13.166 1.00 0.00 C ATOM 1221 O ALA A 83 8.893 -1.400 -14.356 1.00 0.00 O ATOM 1222 CB ALA A 83 10.690 -0.498 -12.145 1.00 0.00 C ATOM 0 H ALA A 83 9.080 -1.025 -10.256 1.00 0.00 H new ATOM 0 HA ALA A 83 8.962 0.666 -12.636 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.120 -0.433 -13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.113 0.285 -11.516 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.919 -1.473 -11.714 1.00 0.00 H new ATOM 1228 N LEU A 84 7.705 -2.206 -12.624 1.00 0.00 N ATOM 1229 CA LEU A 84 7.056 -3.248 -13.412 1.00 0.00 C ATOM 1230 C LEU A 84 5.682 -2.792 -13.891 1.00 0.00 C ATOM 1231 O LEU A 84 5.213 -3.211 -14.950 1.00 0.00 O ATOM 1232 CB LEU A 84 6.923 -4.530 -12.588 1.00 0.00 C ATOM 1233 CG LEU A 84 8.090 -5.512 -12.680 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.225 -6.304 -11.388 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.907 -6.449 -13.865 1.00 0.00 C ATOM 0 H LEU A 84 7.432 -2.189 -11.641 1.00 0.00 H new ATOM 0 HA LEU A 84 7.676 -3.448 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.789 -4.253 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.015 -5.046 -12.900 1.00 0.00 H new ATOM 0 HG LEU A 84 9.007 -4.943 -12.831 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.061 -6.998 -11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.404 -5.620 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.307 -6.863 -11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.748 -7.141 -13.915 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.981 -7.011 -13.745 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.861 -5.867 -14.785 1.00 0.00 H new ATOM 1247 N ILE A 85 5.043 -1.931 -13.106 1.00 0.00 N ATOM 1248 CA ILE A 85 3.724 -1.416 -13.453 1.00 0.00 C ATOM 1249 C ILE A 85 3.793 0.058 -13.836 1.00 0.00 C ATOM 1250 O ILE A 85 2.902 0.579 -14.507 1.00 0.00 O ATOM 1251 CB ILE A 85 2.730 -1.586 -12.288 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.467 -1.536 -10.948 1.00 0.00 C ATOM 1253 CG2 ILE A 85 1.966 -2.894 -12.431 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.576 -1.816 -9.758 1.00 0.00 C ATOM 0 H ILE A 85 5.417 -1.576 -12.226 1.00 0.00 H new ATOM 0 HA ILE A 85 3.373 -1.995 -14.307 1.00 0.00 H new ATOM 0 HB ILE A 85 2.014 -0.765 -12.317 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.280 -2.262 -10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.921 -0.552 -10.828 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.268 -3.000 -11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.414 -2.892 -13.371 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.668 -3.728 -12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.165 -1.764 -8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.778 -1.075 -9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.142 -2.811 -9.854 1.00 0.00 H new ATOM 1266 N LYS A 86 4.859 0.726 -13.409 1.00 0.00 N ATOM 1267 CA LYS A 86 5.049 2.140 -13.709 1.00 0.00 C ATOM 1268 C LYS A 86 3.893 2.972 -13.162 1.00 0.00 C ATOM 1269 O LYS A 86 3.438 3.918 -13.805 1.00 0.00 O ATOM 1270 CB LYS A 86 5.171 2.349 -15.220 1.00 0.00 C ATOM 1271 CG LYS A 86 6.395 1.687 -15.829 1.00 0.00 C ATOM 1272 CD LYS A 86 7.595 2.620 -15.822 1.00 0.00 C ATOM 1273 CE LYS A 86 7.642 3.477 -17.078 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.805 4.701 -16.946 1.00 0.00 N ATOM 0 H LYS A 86 5.606 0.310 -12.853 1.00 0.00 H new ATOM 0 HA LYS A 86 5.970 2.468 -13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.277 1.958 -15.706 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.205 3.418 -15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.634 0.781 -15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.175 1.384 -16.853 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.552 3.263 -14.943 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.512 2.035 -15.745 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.673 3.763 -17.284 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.297 2.891 -17.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.155 5.433 -17.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.818 4.473 -17.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.857 5.053 -15.969 1.00 0.00 H new ATOM 1288 N ILE A 87 3.424 2.614 -11.972 1.00 0.00 N ATOM 1289 CA ILE A 87 2.324 3.329 -11.338 1.00 0.00 C ATOM 1290 C ILE A 87 2.777 4.003 -10.047 1.00 0.00 C ATOM 1291 O ILE A 87 3.812 3.651 -9.481 1.00 0.00 O ATOM 1292 CB ILE A 87 1.146 2.388 -11.025 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.535 1.395 -9.928 1.00 0.00 C ATOM 1294 CG2 ILE A 87 0.708 1.651 -12.283 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.370 0.957 -9.069 1.00 0.00 C ATOM 0 H ILE A 87 3.789 1.833 -11.427 1.00 0.00 H new ATOM 0 HA ILE A 87 1.994 4.089 -12.046 1.00 0.00 H new ATOM 0 HB ILE A 87 0.308 2.986 -10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.987 0.516 -10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.295 1.848 -9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.125 0.990 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.395 2.373 -13.037 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.540 1.062 -12.668 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.719 0.254 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.069 1.827 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.381 0.474 -9.694 1.00 0.00 H new ATOM 1307 N ASP A 88 1.995 4.974 -9.587 1.00 0.00 N ATOM 1308 CA ASP A 88 2.314 5.696 -8.361 1.00 0.00 C ATOM 1309 C ASP A 88 2.961 4.768 -7.336 1.00 0.00 C ATOM 1310 O ASP A 88 2.292 3.929 -6.734 1.00 0.00 O ATOM 1311 CB ASP A 88 1.051 6.326 -7.771 1.00 0.00 C ATOM 1312 CG ASP A 88 1.343 7.604 -7.010 1.00 0.00 C ATOM 1313 OD1 ASP A 88 1.485 8.661 -7.658 1.00 0.00 O ATOM 1314 OD2 ASP A 88 1.430 7.546 -5.765 1.00 0.00 O ATOM 0 H ASP A 88 1.136 5.279 -10.045 1.00 0.00 H new ATOM 0 HA ASP A 88 3.023 6.486 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.345 6.538 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.570 5.611 -7.104 1.00 0.00 H new ATOM 1319 N VAL A 89 4.267 4.925 -7.145 1.00 0.00 N ATOM 1320 CA VAL A 89 5.004 4.102 -6.194 1.00 0.00 C ATOM 1321 C VAL A 89 4.294 4.050 -4.846 1.00 0.00 C ATOM 1322 O VAL A 89 4.268 3.011 -4.186 1.00 0.00 O ATOM 1323 CB VAL A 89 6.436 4.631 -5.986 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.414 5.953 -5.234 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.282 3.603 -5.250 1.00 0.00 C ATOM 0 H VAL A 89 4.836 5.614 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 89 5.052 3.098 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 89 6.886 4.805 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.435 6.311 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.846 6.687 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.946 5.810 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.290 3.993 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.837 3.395 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.326 2.683 -5.833 1.00 0.00 H new ATOM 1335 N ASN A 90 3.717 5.177 -4.443 1.00 0.00 N ATOM 1336 CA ASN A 90 3.005 5.260 -3.173 1.00 0.00 C ATOM 1337 C ASN A 90 1.831 4.285 -3.142 1.00 0.00 C ATOM 1338 O ASN A 90 1.432 3.810 -2.079 1.00 0.00 O ATOM 1339 CB ASN A 90 2.504 6.686 -2.937 1.00 0.00 C ATOM 1340 CG ASN A 90 3.611 7.715 -3.058 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.763 7.375 -3.328 1.00 0.00 O ATOM 1342 ND2 ASN A 90 3.266 8.982 -2.859 1.00 0.00 N ATOM 0 H ASN A 90 3.728 6.046 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 90 3.700 4.990 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.718 6.916 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.057 6.752 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.968 9.719 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.299 9.218 -2.637 1.00 0.00 H new ATOM 1349 N LYS A 91 1.283 3.991 -4.316 1.00 0.00 N ATOM 1350 CA LYS A 91 0.157 3.072 -4.427 1.00 0.00 C ATOM 1351 C LYS A 91 0.624 1.624 -4.326 1.00 0.00 C ATOM 1352 O LYS A 91 0.283 0.915 -3.378 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.578 3.291 -5.751 1.00 0.00 C ATOM 1354 CG LYS A 91 -1.661 4.354 -5.678 1.00 0.00 C ATOM 1355 CD LYS A 91 -2.768 4.093 -6.685 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.210 3.597 -8.011 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.071 3.997 -9.159 1.00 0.00 N ATOM 0 H LYS A 91 1.601 4.377 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.526 3.273 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.145 3.573 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.026 2.349 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.081 4.378 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.223 5.335 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.461 3.355 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.336 5.009 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.206 3.995 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.121 2.511 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.657 3.640 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.023 3.596 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.135 5.034 -9.200 1.00 0.00 H new ATOM 1371 N THR A 92 1.409 1.190 -5.307 1.00 0.00 N ATOM 1372 CA THR A 92 1.923 -0.174 -5.329 1.00 0.00 C ATOM 1373 C THR A 92 2.422 -0.595 -3.951 1.00 0.00 C ATOM 1374 O THR A 92 2.228 -1.736 -3.532 1.00 0.00 O ATOM 1375 CB THR A 92 3.070 -0.325 -6.345 1.00 0.00 C ATOM 1376 OG1 THR A 92 3.572 -1.666 -6.321 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.198 0.649 -6.039 1.00 0.00 C ATOM 0 H THR A 92 1.703 1.764 -6.097 1.00 0.00 H new ATOM 0 HA THR A 92 1.096 -0.819 -5.626 1.00 0.00 H new ATOM 0 HB THR A 92 2.678 -0.101 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.300 -1.754 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.996 0.523 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.820 1.670 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.587 0.453 -5.040 1.00 0.00 H new ATOM 1385 N ARG A 93 3.064 0.334 -3.250 1.00 0.00 N ATOM 1386 CA ARG A 93 3.591 0.058 -1.919 1.00 0.00 C ATOM 1387 C ARG A 93 2.615 -0.796 -1.114 1.00 0.00 C ATOM 1388 O ARG A 93 3.022 -1.693 -0.376 1.00 0.00 O ATOM 1389 CB ARG A 93 3.871 1.366 -1.177 1.00 0.00 C ATOM 1390 CG ARG A 93 5.279 1.898 -1.389 1.00 0.00 C ATOM 1391 CD ARG A 93 5.743 2.733 -0.206 1.00 0.00 C ATOM 1392 NE ARG A 93 6.261 1.904 0.879 1.00 0.00 N ATOM 1393 CZ ARG A 93 6.658 2.391 2.050 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.597 3.694 2.285 1.00 0.00 N ATOM 1395 NH2 ARG A 93 7.118 1.572 2.988 1.00 0.00 N ATOM 0 H ARG A 93 3.232 1.284 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 93 4.523 -0.495 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.154 2.119 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.707 1.211 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.965 1.065 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.308 2.502 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.517 3.427 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.911 3.334 0.162 1.00 0.00 H new ATOM 0 HE ARG A 93 6.321 0.897 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.245 4.326 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.902 4.065 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.167 0.569 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.423 1.946 3.887 1.00 0.00 H new ATOM 1409 N LYS A 94 1.326 -0.512 -1.263 1.00 0.00 N ATOM 1410 CA LYS A 94 0.292 -1.254 -0.552 1.00 0.00 C ATOM 1411 C LYS A 94 0.054 -2.613 -1.201 1.00 0.00 C ATOM 1412 O LYS A 94 -0.260 -3.590 -0.520 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.013 -0.453 -0.527 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.830 0.995 -0.109 1.00 0.00 C ATOM 1415 CD LYS A 94 -0.964 1.163 1.396 1.00 0.00 C ATOM 1416 CE LYS A 94 -0.350 2.472 1.868 1.00 0.00 C ATOM 1417 NZ LYS A 94 -0.014 2.435 3.318 1.00 0.00 N ATOM 0 H LYS A 94 0.972 0.227 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 94 0.633 -1.414 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.466 -0.482 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.712 -0.934 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.151 1.346 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.571 1.616 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.018 1.133 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.477 0.329 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.551 2.679 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.045 3.289 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.402 3.345 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.878 2.262 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.669 1.672 3.497 1.00 0.00 H new ATOM 1431 N ILE A 95 0.207 -2.669 -2.519 1.00 0.00 N ATOM 1432 CA ILE A 95 0.011 -3.910 -3.259 1.00 0.00 C ATOM 1433 C ILE A 95 1.174 -4.871 -3.038 1.00 0.00 C ATOM 1434 O ILE A 95 1.001 -5.952 -2.474 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.143 -3.648 -4.768 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.338 -2.728 -5.029 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.305 -4.960 -5.521 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.481 -2.319 -6.478 1.00 0.00 C ATOM 0 H ILE A 95 0.466 -1.870 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.907 -4.360 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 95 0.759 -3.154 -5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.250 -3.232 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.238 -1.833 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.413 -4.757 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.573 -5.584 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.192 -5.480 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.348 -1.668 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.585 -1.786 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.613 -3.207 -7.095 1.00 0.00 H new ATOM 1450 N TYR A 96 2.359 -4.469 -3.484 1.00 0.00 N ATOM 1451 CA TYR A 96 3.552 -5.295 -3.335 1.00 0.00 C ATOM 1452 C TYR A 96 3.567 -5.991 -1.977 1.00 0.00 C ATOM 1453 O TYR A 96 3.617 -7.218 -1.897 1.00 0.00 O ATOM 1454 CB TYR A 96 4.811 -4.442 -3.498 1.00 0.00 C ATOM 1455 CG TYR A 96 6.071 -5.125 -3.015 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.478 -6.339 -3.555 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.855 -4.555 -2.020 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.628 -6.966 -3.117 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.008 -5.175 -1.576 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.389 -6.380 -2.127 1.00 0.00 C ATOM 1461 OH TYR A 96 9.536 -7.002 -1.689 1.00 0.00 O ATOM 0 H TYR A 96 2.519 -3.577 -3.951 1.00 0.00 H new ATOM 0 HA TYR A 96 3.535 -6.058 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.929 -4.181 -4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.681 -3.508 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.885 -6.800 -4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.559 -3.611 -1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.930 -7.910 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.607 -4.718 -0.802 1.00 0.00 H new ATOM 0 HH TYR A 96 9.881 -7.587 -2.396 1.00 0.00 H new ATOM 1471 N ASP A 97 3.522 -5.197 -0.913 1.00 0.00 N ATOM 1472 CA ASP A 97 3.529 -5.735 0.442 1.00 0.00 C ATOM 1473 C ASP A 97 2.454 -6.805 0.608 1.00 0.00 C ATOM 1474 O ASP A 97 2.722 -7.895 1.113 1.00 0.00 O ATOM 1475 CB ASP A 97 3.312 -4.614 1.460 1.00 0.00 C ATOM 1476 CG ASP A 97 3.671 -5.036 2.871 1.00 0.00 C ATOM 1477 OD1 ASP A 97 2.789 -5.579 3.570 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.832 -4.822 3.278 1.00 0.00 O ATOM 0 H ASP A 97 3.480 -4.179 -0.963 1.00 0.00 H new ATOM 0 HA ASP A 97 4.502 -6.193 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.914 -3.750 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.269 -4.299 1.432 1.00 0.00 H new ATOM 1483 N PHE A 98 1.238 -6.485 0.180 1.00 0.00 N ATOM 1484 CA PHE A 98 0.121 -7.417 0.283 1.00 0.00 C ATOM 1485 C PHE A 98 0.480 -8.765 -0.336 1.00 0.00 C ATOM 1486 O PHE A 98 0.000 -9.811 0.104 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.118 -6.841 -0.406 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.245 -7.825 -0.532 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.315 -8.682 -1.619 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -3.235 -7.893 0.435 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.352 -9.588 -1.738 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -4.275 -8.797 0.321 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.333 -9.646 -0.767 1.00 0.00 C ATOM 0 H PHE A 98 1.000 -5.587 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.097 -7.568 1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.465 -5.973 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.841 -6.489 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.551 -8.641 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.194 -7.232 1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.395 -10.250 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.041 -8.839 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.144 -10.354 -0.858 1.00 0.00 H new ATOM 1503 N LEU A 99 1.327 -8.733 -1.359 1.00 0.00 N ATOM 1504 CA LEU A 99 1.751 -9.952 -2.040 1.00 0.00 C ATOM 1505 C LEU A 99 2.837 -10.669 -1.246 1.00 0.00 C ATOM 1506 O LEU A 99 2.897 -11.899 -1.229 1.00 0.00 O ATOM 1507 CB LEU A 99 2.262 -9.623 -3.444 1.00 0.00 C ATOM 1508 CG LEU A 99 1.231 -9.045 -4.415 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.912 -8.543 -5.679 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.175 -10.087 -4.754 1.00 0.00 C ATOM 0 H LEU A 99 1.734 -7.877 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 99 0.889 -10.614 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.084 -8.913 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.674 -10.532 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 99 0.738 -8.201 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.163 -8.135 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.630 -7.765 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.431 -9.369 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.550 -9.658 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.652 -10.951 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.334 -10.399 -3.842 1.00 0.00 H new ATOM 1522 N ILE A 100 3.692 -9.894 -0.588 1.00 0.00 N ATOM 1523 CA ILE A 100 4.774 -10.456 0.211 1.00 0.00 C ATOM 1524 C ILE A 100 4.232 -11.184 1.436 1.00 0.00 C ATOM 1525 O ILE A 100 4.745 -12.232 1.826 1.00 0.00 O ATOM 1526 CB ILE A 100 5.760 -9.365 0.670 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.522 -8.798 -0.530 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.727 -9.926 1.702 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.654 -9.684 -1.000 1.00 0.00 C ATOM 0 H ILE A 100 3.657 -8.875 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 100 5.301 -11.166 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 100 5.195 -8.556 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.825 -8.645 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.923 -7.819 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.417 -9.144 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.168 -10.286 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.289 -10.751 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.149 -9.220 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.372 -9.816 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.257 -10.655 -1.295 1.00 0.00 H new ATOM 1541 N ARG A 101 3.189 -10.621 2.039 1.00 0.00 N ATOM 1542 CA ARG A 101 2.576 -11.216 3.220 1.00 0.00 C ATOM 1543 C ARG A 101 1.672 -12.383 2.834 1.00 0.00 C ATOM 1544 O ARG A 101 1.626 -13.400 3.526 1.00 0.00 O ATOM 1545 CB ARG A 101 1.771 -10.166 3.988 1.00 0.00 C ATOM 1546 CG ARG A 101 0.432 -9.838 3.348 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.239 -8.658 4.034 1.00 0.00 C ATOM 1548 NE ARG A 101 -1.009 -9.071 5.204 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.478 -9.247 6.408 1.00 0.00 C ATOM 1550 NH1 ARG A 101 0.819 -9.048 6.601 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -1.244 -9.624 7.424 1.00 0.00 N ATOM 0 H ARG A 101 2.751 -9.754 1.729 1.00 0.00 H new ATOM 0 HA ARG A 101 3.373 -11.593 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.601 -10.522 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.361 -9.253 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.578 -9.611 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.221 -10.710 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.519 -7.935 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.897 -8.154 3.326 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.010 -9.233 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.412 -8.759 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.224 -9.184 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.242 -9.779 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.835 -9.759 8.349 1.00 0.00 H new ATOM 1565 N GLU A 102 0.956 -12.228 1.725 1.00 0.00 N ATOM 1566 CA GLU A 102 0.053 -13.269 1.248 1.00 0.00 C ATOM 1567 C GLU A 102 0.829 -14.513 0.828 1.00 0.00 C ATOM 1568 O GLU A 102 0.276 -15.610 0.757 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.780 -12.753 0.072 1.00 0.00 C ATOM 1570 CG GLU A 102 -2.062 -12.056 0.494 1.00 0.00 C ATOM 1571 CD GLU A 102 -3.159 -13.031 0.873 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.809 -13.578 -0.043 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.368 -13.248 2.085 1.00 0.00 O ATOM 0 H GLU A 102 0.984 -11.393 1.140 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.614 -13.538 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.176 -12.060 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.029 -13.590 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.854 -11.402 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.411 -11.421 -0.320 1.00 0.00 H new ATOM 1580 N GLY A 103 2.118 -14.334 0.551 1.00 0.00 N ATOM 1581 CA GLY A 103 2.950 -15.450 0.141 1.00 0.00 C ATOM 1582 C GLY A 103 2.963 -15.642 -1.363 1.00 0.00 C ATOM 1583 O GLY A 103 2.948 -16.772 -1.851 1.00 0.00 O ATOM 0 H GLY A 103 2.600 -13.437 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.969 -15.288 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.590 -16.362 0.617 1.00 0.00 H new ATOM 1587 N TYR A 104 2.990 -14.536 -2.098 1.00 0.00 N ATOM 1588 CA TYR A 104 3.001 -14.588 -3.556 1.00 0.00 C ATOM 1589 C TYR A 104 4.406 -14.348 -4.099 1.00 0.00 C ATOM 1590 O TYR A 104 4.799 -14.928 -5.112 1.00 0.00 O ATOM 1591 CB TYR A 104 2.036 -13.550 -4.131 1.00 0.00 C ATOM 1592 CG TYR A 104 0.588 -13.984 -4.094 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.134 -15.024 -4.895 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.326 -13.353 -3.260 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.188 -15.424 -4.866 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.650 -13.746 -3.223 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.076 -14.782 -4.028 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.394 -15.176 -3.995 1.00 0.00 O ATOM 0 H TYR A 104 3.005 -13.593 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 104 2.678 -15.583 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.142 -12.619 -3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.317 -13.337 -5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.827 -15.529 -5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.004 -12.541 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.524 -16.234 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.347 -13.245 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.885 -14.623 -3.352 1.00 0.00 H new ATOM 1608 N ILE A 105 5.159 -13.491 -3.417 1.00 0.00 N ATOM 1609 CA ILE A 105 6.521 -13.175 -3.829 1.00 0.00 C ATOM 1610 C ILE A 105 7.475 -13.202 -2.640 1.00 0.00 C ATOM 1611 O ILE A 105 7.082 -13.535 -1.521 1.00 0.00 O ATOM 1612 CB ILE A 105 6.599 -11.793 -4.504 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.637 -10.815 -3.826 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.284 -11.910 -5.988 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.751 -9.399 -4.345 1.00 0.00 C ATOM 0 H ILE A 105 4.849 -13.003 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 105 6.818 -13.938 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 105 7.614 -11.409 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.615 -11.165 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.827 -10.816 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.343 -10.925 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.004 -12.577 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.279 -12.311 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.040 -8.761 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.763 -9.030 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.532 -9.384 -5.413 1.00 0.00 H new ATOM 1627 N THR A 106 8.732 -12.848 -2.889 1.00 0.00 N ATOM 1628 CA THR A 106 9.743 -12.830 -1.839 1.00 0.00 C ATOM 1629 C THR A 106 10.343 -11.438 -1.677 1.00 0.00 C ATOM 1630 O THR A 106 10.374 -10.650 -2.622 1.00 0.00 O ATOM 1631 CB THR A 106 10.875 -13.833 -2.133 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.335 -15.024 -2.717 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.630 -14.185 -0.860 1.00 0.00 C ATOM 0 H THR A 106 9.074 -12.570 -3.809 1.00 0.00 H new ATOM 0 HA THR A 106 9.243 -13.117 -0.914 1.00 0.00 H new ATOM 0 HB THR A 106 11.570 -13.368 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.061 -15.656 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.424 -14.894 -1.092 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.064 -13.281 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.943 -14.632 -0.141 1.00 0.00 H new ATOM 1641 N LYS A 107 10.819 -11.141 -0.472 1.00 0.00 N ATOM 1642 CA LYS A 107 11.421 -9.845 -0.185 1.00 0.00 C ATOM 1643 C LYS A 107 12.841 -9.770 -0.736 1.00 0.00 C ATOM 1644 O LYS A 107 13.679 -10.619 -0.435 1.00 0.00 O ATOM 1645 CB LYS A 107 11.433 -9.588 1.324 1.00 0.00 C ATOM 1646 CG LYS A 107 11.429 -8.114 1.690 1.00 0.00 C ATOM 1647 CD LYS A 107 10.015 -7.579 1.837 1.00 0.00 C ATOM 1648 CE LYS A 107 9.496 -7.757 3.256 1.00 0.00 C ATOM 1649 NZ LYS A 107 8.079 -7.320 3.387 1.00 0.00 N ATOM 0 H LYS A 107 10.799 -11.781 0.322 1.00 0.00 H new ATOM 0 HA LYS A 107 10.820 -9.078 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.563 -10.067 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.315 -10.059 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.973 -7.969 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.956 -7.546 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.995 -6.522 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.355 -8.095 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.581 -8.805 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.118 -7.185 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.034 -6.458 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.688 -7.124 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.524 -8.073 3.842 1.00 0.00 H new ATOM 1663 N ALA A 108 13.105 -8.747 -1.543 1.00 0.00 N ATOM 1664 CA ALA A 108 14.425 -8.560 -2.132 1.00 0.00 C ATOM 1665 C ALA A 108 15.361 -7.842 -1.165 1.00 0.00 C ATOM 1666 O ALA A 108 14.972 -6.870 -0.517 1.00 0.00 O ATOM 1667 CB ALA A 108 14.315 -7.784 -3.437 1.00 0.00 C ATOM 0 H ALA A 108 12.422 -8.036 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 108 14.846 -9.544 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.308 -7.651 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.688 -8.336 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.870 -6.808 -3.244 1.00 0.00 H new TER 1673 ALA A 108