USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 704 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0207 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 51:sc= 0.676 USER MOD Single : A 5 SER OG : rot 180:sc=0.000971 USER MOD Single : A 6 SER OG : rot 46:sc= 0.371 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -40:sc= 0.00734 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0164 (180deg=-0.188) USER MOD Single : A 21 CYS SG : rot 59:sc= 0.294 USER MOD Single : A 27 GLN : amide:sc= -2.42! C(o=-2.4!,f=-5.3!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.52 F(o=-2.9!,f=-1.5) USER MOD Single : A 33 CYS SG : rot -26:sc= -0.117 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -10:sc= 1.01 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.02 X(o=-1,f=-0.72) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0174 K(o=-0.017,f=-2.1!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 44:sc= 0.314 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.012) USER MOD Single : A 69 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.1!) USER MOD Single : A 76 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-2.2) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -76:sc= 1.17 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -4.01! C(o=-4!,f=-21!) USER MOD Single : A 89 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.0037) USER MOD Single : A 91 SER OG : rot 37:sc= 0.145 USER MOD Single : A 92 CYS SG : rot -120:sc= 0.0182 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 99 HIS : no HE2:sc= -0.0676 K(o=-0.068,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.254 7.685 0.510 1.00 0.00 N ATOM 2 CA GLY A 1 37.947 7.667 -0.121 1.00 0.00 C ATOM 3 C GLY A 1 36.988 6.711 0.561 1.00 0.00 C ATOM 4 O GLY A 1 37.027 6.546 1.780 1.00 0.00 O ATOM 0 H1 GLY A 1 39.551 8.670 0.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.205 7.190 1.423 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.943 7.209 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.526 8.672 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.056 7.383 -1.168 1.00 0.00 H new ATOM 8 N SER A 2 36.124 6.080 -0.228 1.00 0.00 N ATOM 9 CA SER A 2 35.147 5.139 0.307 1.00 0.00 C ATOM 10 C SER A 2 34.040 5.874 1.058 1.00 0.00 C ATOM 11 O SER A 2 33.484 5.358 2.027 1.00 0.00 O ATOM 12 CB SER A 2 35.830 4.135 1.237 1.00 0.00 C ATOM 13 OG SER A 2 35.126 2.906 1.266 1.00 0.00 O ATOM 0 H SER A 2 36.081 6.203 -1.240 1.00 0.00 H new ATOM 0 HA SER A 2 34.700 4.602 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.853 3.964 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.888 4.548 2.244 1.00 0.00 H new ATOM 0 HG SER A 2 35.584 2.281 1.866 1.00 0.00 H new ATOM 19 N SER A 3 33.727 7.083 0.602 1.00 0.00 N ATOM 20 CA SER A 3 32.690 7.892 1.232 1.00 0.00 C ATOM 21 C SER A 3 31.450 7.971 0.347 1.00 0.00 C ATOM 22 O SER A 3 31.265 8.932 -0.398 1.00 0.00 O ATOM 23 CB SER A 3 33.215 9.299 1.520 1.00 0.00 C ATOM 24 OG SER A 3 33.658 9.931 0.332 1.00 0.00 O ATOM 0 H SER A 3 34.176 7.523 -0.201 1.00 0.00 H new ATOM 0 HA SER A 3 32.414 7.416 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.429 9.896 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.036 9.245 2.235 1.00 0.00 H new ATOM 0 HG SER A 3 32.958 9.871 -0.351 1.00 0.00 H new ATOM 30 N GLY A 4 30.601 6.951 0.434 1.00 0.00 N ATOM 31 CA GLY A 4 29.390 6.923 -0.364 1.00 0.00 C ATOM 32 C GLY A 4 28.142 7.139 0.469 1.00 0.00 C ATOM 33 O GLY A 4 28.027 6.612 1.576 1.00 0.00 O ATOM 0 H GLY A 4 30.731 6.143 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.448 7.693 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.319 5.964 -0.878 1.00 0.00 H new ATOM 37 N SER A 5 27.205 7.918 -0.062 1.00 0.00 N ATOM 38 CA SER A 5 25.961 8.207 0.643 1.00 0.00 C ATOM 39 C SER A 5 25.431 6.959 1.343 1.00 0.00 C ATOM 40 O SER A 5 25.703 5.835 0.923 1.00 0.00 O ATOM 41 CB SER A 5 24.911 8.743 -0.332 1.00 0.00 C ATOM 42 OG SER A 5 25.424 9.824 -1.091 1.00 0.00 O ATOM 0 H SER A 5 27.283 8.360 -0.978 1.00 0.00 H new ATOM 0 HA SER A 5 26.167 8.966 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.591 7.945 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.030 9.069 0.221 1.00 0.00 H new ATOM 0 HG SER A 5 24.734 10.147 -1.708 1.00 0.00 H new ATOM 48 N SER A 6 24.673 7.167 2.415 1.00 0.00 N ATOM 49 CA SER A 6 24.108 6.061 3.178 1.00 0.00 C ATOM 50 C SER A 6 22.637 5.856 2.829 1.00 0.00 C ATOM 51 O SER A 6 21.754 6.471 3.426 1.00 0.00 O ATOM 52 CB SER A 6 24.256 6.319 4.679 1.00 0.00 C ATOM 53 OG SER A 6 23.755 7.598 5.028 1.00 0.00 O ATOM 0 H SER A 6 24.436 8.092 2.775 1.00 0.00 H new ATOM 0 HA SER A 6 24.656 5.156 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.722 5.551 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.306 6.247 4.962 1.00 0.00 H new ATOM 0 HG SER A 6 22.888 7.739 4.594 1.00 0.00 H new ATOM 59 N GLY A 7 22.381 4.987 1.856 1.00 0.00 N ATOM 60 CA GLY A 7 21.016 4.716 1.443 1.00 0.00 C ATOM 61 C GLY A 7 20.744 3.234 1.277 1.00 0.00 C ATOM 62 O GLY A 7 20.778 2.711 0.164 1.00 0.00 O ATOM 0 H GLY A 7 23.094 4.466 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.328 5.128 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.817 5.227 0.501 1.00 0.00 H new ATOM 66 N MET A 8 20.475 2.556 2.388 1.00 0.00 N ATOM 67 CA MET A 8 20.197 1.125 2.360 1.00 0.00 C ATOM 68 C MET A 8 18.735 0.862 2.011 1.00 0.00 C ATOM 69 O MET A 8 17.867 1.693 2.273 1.00 0.00 O ATOM 70 CB MET A 8 20.532 0.492 3.712 1.00 0.00 C ATOM 71 CG MET A 8 20.636 -1.024 3.665 1.00 0.00 C ATOM 72 SD MET A 8 22.026 -1.593 2.667 1.00 0.00 S ATOM 73 CE MET A 8 23.014 -2.426 3.907 1.00 0.00 C ATOM 0 H MET A 8 20.444 2.974 3.318 1.00 0.00 H new ATOM 0 HA MET A 8 20.823 0.674 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.476 0.902 4.072 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.766 0.773 4.435 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.740 -1.409 4.679 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.711 -1.436 3.261 1.00 0.00 H new ATOM 0 HE1 MET A 8 23.912 -2.833 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.297 -1.716 4.684 1.00 0.00 H new ATOM 0 HE3 MET A 8 22.435 -3.236 4.350 1.00 0.00 H new ATOM 83 N GLU A 9 18.472 -0.299 1.419 1.00 0.00 N ATOM 84 CA GLU A 9 17.115 -0.669 1.033 1.00 0.00 C ATOM 85 C GLU A 9 16.500 -1.620 2.056 1.00 0.00 C ATOM 86 O GLU A 9 17.207 -2.227 2.860 1.00 0.00 O ATOM 87 CB GLU A 9 17.115 -1.320 -0.351 1.00 0.00 C ATOM 88 CG GLU A 9 17.256 -0.327 -1.492 1.00 0.00 C ATOM 89 CD GLU A 9 17.905 -0.936 -2.719 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.050 -1.420 -2.607 1.00 0.00 O ATOM 91 OE2 GLU A 9 17.266 -0.929 -3.792 1.00 0.00 O ATOM 0 H GLU A 9 19.180 -0.999 1.196 1.00 0.00 H new ATOM 0 HA GLU A 9 16.513 0.239 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.932 -2.040 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.188 -1.879 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.271 0.056 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.849 0.524 -1.157 1.00 0.00 H new ATOM 98 N VAL A 10 15.177 -1.744 2.018 1.00 0.00 N ATOM 99 CA VAL A 10 14.465 -2.621 2.939 1.00 0.00 C ATOM 100 C VAL A 10 13.418 -3.453 2.208 1.00 0.00 C ATOM 101 O VAL A 10 13.147 -3.232 1.028 1.00 0.00 O ATOM 102 CB VAL A 10 13.776 -1.818 4.059 1.00 0.00 C ATOM 103 CG1 VAL A 10 14.776 -1.448 5.144 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.110 -0.575 3.489 1.00 0.00 C ATOM 0 H VAL A 10 14.577 -1.248 1.359 1.00 0.00 H new ATOM 0 HA VAL A 10 15.208 -3.285 3.381 1.00 0.00 H new ATOM 0 HB VAL A 10 13.004 -2.442 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.271 -0.881 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.202 -2.356 5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.572 -0.841 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.628 -0.019 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.862 0.054 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.362 -0.868 2.752 1.00 0.00 H new ATOM 114 N ALA A 11 12.831 -4.412 2.917 1.00 0.00 N ATOM 115 CA ALA A 11 11.811 -5.277 2.336 1.00 0.00 C ATOM 116 C ALA A 11 10.413 -4.721 2.585 1.00 0.00 C ATOM 117 O ALA A 11 10.168 -4.006 3.557 1.00 0.00 O ATOM 118 CB ALA A 11 11.930 -6.685 2.899 1.00 0.00 C ATOM 0 H ALA A 11 13.044 -4.609 3.895 1.00 0.00 H new ATOM 0 HA ALA A 11 11.972 -5.314 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.162 -7.320 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.915 -7.089 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.798 -6.657 3.981 1.00 0.00 H new ATOM 124 N PRO A 12 9.474 -5.056 1.688 1.00 0.00 N ATOM 125 CA PRO A 12 8.084 -4.600 1.790 1.00 0.00 C ATOM 126 C PRO A 12 7.345 -5.252 2.954 1.00 0.00 C ATOM 127 O PRO A 12 7.501 -6.445 3.211 1.00 0.00 O ATOM 128 CB PRO A 12 7.470 -5.034 0.457 1.00 0.00 C ATOM 129 CG PRO A 12 8.303 -6.187 0.013 1.00 0.00 C ATOM 130 CD PRO A 12 9.696 -5.905 0.506 1.00 0.00 C ATOM 0 HA PRO A 12 8.019 -3.528 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.426 -5.323 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.494 -4.224 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.925 -7.123 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.286 -6.286 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.224 -6.823 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.294 -5.394 -0.249 1.00 0.00 H new ATOM 138 N SER A 13 6.538 -4.460 3.653 1.00 0.00 N ATOM 139 CA SER A 13 5.776 -4.959 4.792 1.00 0.00 C ATOM 140 C SER A 13 4.560 -4.078 5.061 1.00 0.00 C ATOM 141 O SER A 13 4.508 -2.925 4.632 1.00 0.00 O ATOM 142 CB SER A 13 6.662 -5.019 6.038 1.00 0.00 C ATOM 143 OG SER A 13 6.219 -6.027 6.931 1.00 0.00 O ATOM 0 H SER A 13 6.395 -3.471 3.451 1.00 0.00 H new ATOM 0 HA SER A 13 5.428 -5.964 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.693 -5.216 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.652 -4.052 6.542 1.00 0.00 H new ATOM 0 HG SER A 13 6.803 -6.046 7.718 1.00 0.00 H new ATOM 149 N PHE A 14 3.584 -4.629 5.774 1.00 0.00 N ATOM 150 CA PHE A 14 2.367 -3.895 6.100 1.00 0.00 C ATOM 151 C PHE A 14 2.261 -3.658 7.603 1.00 0.00 C ATOM 152 O PHE A 14 1.901 -4.559 8.361 1.00 0.00 O ATOM 153 CB PHE A 14 1.137 -4.659 5.605 1.00 0.00 C ATOM 154 CG PHE A 14 1.015 -4.695 4.108 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.727 -3.542 3.396 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.190 -5.881 3.413 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.613 -3.572 2.019 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.079 -5.917 2.036 1.00 0.00 C ATOM 159 CZ PHE A 14 0.791 -4.760 1.338 1.00 0.00 C ATOM 0 H PHE A 14 3.612 -5.582 6.137 1.00 0.00 H new ATOM 0 HA PHE A 14 2.411 -2.928 5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.178 -5.681 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.241 -4.200 6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.590 -2.609 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.416 -6.788 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.385 -2.667 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.217 -6.848 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.705 -4.785 0.262 1.00 0.00 H new ATOM 169 N SER A 15 2.577 -2.438 8.028 1.00 0.00 N ATOM 170 CA SER A 15 2.522 -2.082 9.441 1.00 0.00 C ATOM 171 C SER A 15 1.089 -1.785 9.871 1.00 0.00 C ATOM 172 O SER A 15 0.699 -2.062 11.005 1.00 0.00 O ATOM 173 CB SER A 15 3.412 -0.869 9.718 1.00 0.00 C ATOM 174 OG SER A 15 4.730 -1.269 10.053 1.00 0.00 O ATOM 0 H SER A 15 2.874 -1.680 7.414 1.00 0.00 H new ATOM 0 HA SER A 15 2.887 -2.931 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.437 -0.224 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.989 -0.282 10.533 1.00 0.00 H new ATOM 0 HG SER A 15 4.695 -2.058 10.633 1.00 0.00 H new ATOM 180 N SER A 16 0.309 -1.219 8.955 1.00 0.00 N ATOM 181 CA SER A 16 -1.081 -0.879 9.240 1.00 0.00 C ATOM 182 C SER A 16 -2.022 -1.585 8.268 1.00 0.00 C ATOM 183 O SER A 16 -2.846 -0.949 7.611 1.00 0.00 O ATOM 184 CB SER A 16 -1.285 0.635 9.157 1.00 0.00 C ATOM 185 OG SER A 16 -2.311 1.060 10.037 1.00 0.00 O ATOM 0 H SER A 16 0.615 -0.986 8.010 1.00 0.00 H new ATOM 0 HA SER A 16 -1.312 -1.214 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.354 1.145 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.539 0.915 8.135 1.00 0.00 H new ATOM 0 HG SER A 16 -2.421 2.031 9.966 1.00 0.00 H new ATOM 191 N VAL A 17 -1.893 -2.905 8.183 1.00 0.00 N ATOM 192 CA VAL A 17 -2.732 -3.699 7.293 1.00 0.00 C ATOM 193 C VAL A 17 -4.177 -3.217 7.325 1.00 0.00 C ATOM 194 O VAL A 17 -4.580 -2.485 8.230 1.00 0.00 O ATOM 195 CB VAL A 17 -2.692 -5.193 7.669 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.314 -5.776 7.396 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.083 -5.385 9.127 1.00 0.00 C ATOM 0 H VAL A 17 -1.216 -3.447 8.719 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.333 -3.574 6.286 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.414 -5.726 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.305 -6.832 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.078 -5.672 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.570 -5.243 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.050 -6.446 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.387 -4.840 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.093 -5.007 9.286 1.00 0.00 H new ATOM 207 N LEU A 18 -4.955 -3.630 6.330 1.00 0.00 N ATOM 208 CA LEU A 18 -6.358 -3.240 6.243 1.00 0.00 C ATOM 209 C LEU A 18 -7.204 -4.025 7.241 1.00 0.00 C ATOM 210 O LEU A 18 -6.812 -5.100 7.694 1.00 0.00 O ATOM 211 CB LEU A 18 -6.883 -3.466 4.824 1.00 0.00 C ATOM 212 CG LEU A 18 -6.117 -2.761 3.705 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.252 -3.529 2.400 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.611 -1.331 3.538 1.00 0.00 C ATOM 0 H LEU A 18 -4.638 -4.235 5.572 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.431 -2.180 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.877 -4.537 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.923 -3.140 4.787 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.062 -2.730 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.700 -3.012 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.849 -4.534 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.304 -3.593 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.054 -0.845 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.672 -1.339 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.461 -0.783 4.468 1.00 0.00 H new ATOM 226 N LYS A 19 -8.368 -3.480 7.579 1.00 0.00 N ATOM 227 CA LYS A 19 -9.272 -4.129 8.521 1.00 0.00 C ATOM 228 C LYS A 19 -10.701 -4.133 7.988 1.00 0.00 C ATOM 229 O LYS A 19 -11.024 -3.411 7.045 1.00 0.00 O ATOM 230 CB LYS A 19 -9.224 -3.420 9.877 1.00 0.00 C ATOM 231 CG LYS A 19 -8.053 -3.847 10.745 1.00 0.00 C ATOM 232 CD LYS A 19 -6.831 -2.979 10.498 1.00 0.00 C ATOM 233 CE LYS A 19 -5.878 -3.007 11.683 1.00 0.00 C ATOM 234 NZ LYS A 19 -6.424 -2.262 12.851 1.00 0.00 N ATOM 0 H LYS A 19 -8.707 -2.590 7.214 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.946 -5.162 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.171 -2.344 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.153 -3.615 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.337 -3.787 11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.808 -4.889 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.312 -3.326 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.145 -1.953 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.685 -4.041 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.922 -2.573 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.653 -2.040 13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.865 -1.379 12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.136 -2.846 13.333 1.00 0.00 H new ATOM 248 N ASP A 20 -11.553 -4.950 8.599 1.00 0.00 N ATOM 249 CA ASP A 20 -12.949 -5.046 8.187 1.00 0.00 C ATOM 250 C ASP A 20 -13.620 -3.676 8.219 1.00 0.00 C ATOM 251 O ASP A 20 -13.699 -3.037 9.269 1.00 0.00 O ATOM 252 CB ASP A 20 -13.704 -6.019 9.093 1.00 0.00 C ATOM 253 CG ASP A 20 -15.177 -6.108 8.746 1.00 0.00 C ATOM 254 OD1 ASP A 20 -15.842 -5.052 8.709 1.00 0.00 O ATOM 255 OD2 ASP A 20 -15.665 -7.234 8.513 1.00 0.00 O ATOM 0 H ASP A 20 -11.301 -5.555 9.381 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.976 -5.420 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.254 -7.009 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.596 -5.703 10.131 1.00 0.00 H new ATOM 260 N CYS A 21 -14.101 -3.232 7.064 1.00 0.00 N ATOM 261 CA CYS A 21 -14.765 -1.937 6.959 1.00 0.00 C ATOM 262 C CYS A 21 -16.224 -2.105 6.549 1.00 0.00 C ATOM 263 O CYS A 21 -16.580 -3.062 5.861 1.00 0.00 O ATOM 264 CB CYS A 21 -14.038 -1.049 5.948 1.00 0.00 C ATOM 265 SG CYS A 21 -12.446 -0.419 6.529 1.00 0.00 S ATOM 0 H CYS A 21 -14.044 -3.749 6.187 1.00 0.00 H new ATOM 0 HA CYS A 21 -14.735 -1.461 7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.879 -1.616 5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.680 -0.205 5.694 1.00 0.00 H new ATOM 0 HG CYS A 21 -11.663 -1.416 6.816 1.00 0.00 H new ATOM 271 N ALA A 22 -17.065 -1.170 6.979 1.00 0.00 N ATOM 272 CA ALA A 22 -18.486 -1.215 6.656 1.00 0.00 C ATOM 273 C ALA A 22 -18.960 0.114 6.079 1.00 0.00 C ATOM 274 O ALA A 22 -18.637 1.181 6.602 1.00 0.00 O ATOM 275 CB ALA A 22 -19.297 -1.574 7.893 1.00 0.00 C ATOM 0 H ALA A 22 -16.787 -0.373 7.551 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.637 -1.985 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.356 -1.604 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -18.985 -2.551 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.132 -0.824 8.667 1.00 0.00 H new ATOM 281 N VAL A 23 -19.728 0.044 4.996 1.00 0.00 N ATOM 282 CA VAL A 23 -20.246 1.242 4.347 1.00 0.00 C ATOM 283 C VAL A 23 -21.703 1.058 3.937 1.00 0.00 C ATOM 284 O VAL A 23 -22.194 -0.067 3.842 1.00 0.00 O ATOM 285 CB VAL A 23 -19.417 1.609 3.102 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.757 0.686 1.942 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.646 3.064 2.720 1.00 0.00 C ATOM 0 H VAL A 23 -20.005 -0.830 4.550 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.175 2.051 5.073 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.361 1.480 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.161 0.961 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.538 -0.345 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.816 0.779 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.053 3.306 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.702 3.221 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.347 3.709 3.547 1.00 0.00 H new ATOM 297 N ILE A 24 -22.389 2.170 3.695 1.00 0.00 N ATOM 298 CA ILE A 24 -23.790 2.131 3.294 1.00 0.00 C ATOM 299 C ILE A 24 -23.929 2.178 1.777 1.00 0.00 C ATOM 300 O ILE A 24 -23.136 2.823 1.091 1.00 0.00 O ATOM 301 CB ILE A 24 -24.583 3.300 3.907 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.652 3.157 5.429 1.00 0.00 C ATOM 303 CG2 ILE A 24 -25.982 3.360 3.312 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.534 2.018 5.890 1.00 0.00 C ATOM 0 H ILE A 24 -21.997 3.109 3.770 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.198 1.191 3.665 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.068 4.231 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -23.645 3.006 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.022 4.089 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.530 4.191 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.913 3.504 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.506 2.427 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.535 1.977 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -26.551 2.177 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -25.152 1.078 5.492 1.00 0.00 H new ATOM 316 N GLU A 25 -24.942 1.490 1.259 1.00 0.00 N ATOM 317 CA GLU A 25 -25.185 1.454 -0.178 1.00 0.00 C ATOM 318 C GLU A 25 -25.258 2.866 -0.753 1.00 0.00 C ATOM 319 O GLU A 25 -26.129 3.653 -0.386 1.00 0.00 O ATOM 320 CB GLU A 25 -26.482 0.701 -0.480 1.00 0.00 C ATOM 321 CG GLU A 25 -26.844 0.680 -1.956 1.00 0.00 C ATOM 322 CD GLU A 25 -28.115 -0.099 -2.233 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.210 -1.260 -1.783 1.00 0.00 O ATOM 324 OE2 GLU A 25 -29.015 0.452 -2.901 1.00 0.00 O ATOM 0 H GLU A 25 -25.607 0.950 1.813 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.352 0.931 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.388 -0.325 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.297 1.160 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.965 1.703 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.022 0.241 -2.522 1.00 0.00 H new ATOM 331 N GLY A 26 -24.335 3.179 -1.657 1.00 0.00 N ATOM 332 CA GLY A 26 -24.311 4.495 -2.268 1.00 0.00 C ATOM 333 C GLY A 26 -23.265 5.402 -1.651 1.00 0.00 C ATOM 334 O GLY A 26 -22.731 6.287 -2.318 1.00 0.00 O ATOM 0 H GLY A 26 -23.603 2.545 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.115 4.393 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.293 4.957 -2.167 1.00 0.00 H new ATOM 338 N GLN A 27 -22.974 5.183 -0.373 1.00 0.00 N ATOM 339 CA GLN A 27 -21.986 5.989 0.334 1.00 0.00 C ATOM 340 C GLN A 27 -20.597 5.797 -0.264 1.00 0.00 C ATOM 341 O GLN A 27 -20.405 4.976 -1.161 1.00 0.00 O ATOM 342 CB GLN A 27 -21.970 5.626 1.820 1.00 0.00 C ATOM 343 CG GLN A 27 -23.094 6.270 2.616 1.00 0.00 C ATOM 344 CD GLN A 27 -22.866 6.196 4.113 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.280 5.237 4.617 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.327 7.211 4.834 1.00 0.00 N ATOM 0 H GLN A 27 -23.408 4.455 0.194 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.265 7.037 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.038 4.543 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.014 5.927 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.193 7.314 2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -24.035 5.778 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.807 7.986 4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.201 7.216 5.846 1.00 0.00 H new ATOM 355 N ASP A 28 -19.631 6.558 0.239 1.00 0.00 N ATOM 356 CA ASP A 28 -18.258 6.471 -0.245 1.00 0.00 C ATOM 357 C ASP A 28 -17.341 5.886 0.824 1.00 0.00 C ATOM 358 O ASP A 28 -17.590 6.037 2.021 1.00 0.00 O ATOM 359 CB ASP A 28 -17.755 7.852 -0.667 1.00 0.00 C ATOM 360 CG ASP A 28 -18.705 8.549 -1.621 1.00 0.00 C ATOM 361 OD1 ASP A 28 -19.246 7.871 -2.520 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.909 9.771 -1.468 1.00 0.00 O ATOM 0 H ASP A 28 -19.773 7.242 0.982 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.245 5.809 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -17.616 8.471 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -16.779 7.750 -1.141 1.00 0.00 H new ATOM 367 N PHE A 29 -16.280 5.218 0.385 1.00 0.00 N ATOM 368 CA PHE A 29 -15.326 4.608 1.305 1.00 0.00 C ATOM 369 C PHE A 29 -13.964 4.436 0.640 1.00 0.00 C ATOM 370 O PHE A 29 -13.868 3.966 -0.494 1.00 0.00 O ATOM 371 CB PHE A 29 -15.846 3.252 1.788 1.00 0.00 C ATOM 372 CG PHE A 29 -15.592 2.133 0.818 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.317 1.613 0.660 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.627 1.602 0.066 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.081 0.584 -0.232 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.396 0.572 -0.827 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.121 0.062 -0.976 1.00 0.00 C ATOM 0 H PHE A 29 -16.059 5.085 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.211 5.271 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.376 3.010 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.918 3.327 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.500 2.016 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.626 1.997 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.083 0.188 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.212 0.167 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.938 -0.743 -1.672 1.00 0.00 H new ATOM 387 N VAL A 30 -12.911 4.820 1.355 1.00 0.00 N ATOM 388 CA VAL A 30 -11.553 4.709 0.836 1.00 0.00 C ATOM 389 C VAL A 30 -10.678 3.871 1.761 1.00 0.00 C ATOM 390 O VAL A 30 -10.354 4.288 2.874 1.00 0.00 O ATOM 391 CB VAL A 30 -10.906 6.094 0.652 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.199 6.984 1.850 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.407 5.958 0.432 1.00 0.00 C ATOM 0 H VAL A 30 -12.972 5.211 2.295 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.625 4.219 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.338 6.562 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.734 7.958 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.277 7.109 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.797 6.523 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.967 6.947 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.955 5.469 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.223 5.361 -0.461 1.00 0.00 H new ATOM 403 N LEU A 31 -10.297 2.686 1.295 1.00 0.00 N ATOM 404 CA LEU A 31 -9.458 1.788 2.081 1.00 0.00 C ATOM 405 C LEU A 31 -8.058 2.368 2.259 1.00 0.00 C ATOM 406 O LEU A 31 -7.248 2.353 1.333 1.00 0.00 O ATOM 407 CB LEU A 31 -9.373 0.418 1.406 1.00 0.00 C ATOM 408 CG LEU A 31 -10.671 -0.388 1.358 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.643 -1.376 0.202 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.898 -1.113 2.677 1.00 0.00 C ATOM 0 H LEU A 31 -10.556 2.325 0.377 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.912 1.674 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.019 0.560 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.620 -0.175 1.925 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.499 0.302 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.575 -1.941 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.528 -0.834 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.806 -2.062 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.826 -1.682 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.067 -1.792 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.963 -0.385 3.486 1.00 0.00 H new ATOM 422 N GLN A 32 -7.782 2.876 3.456 1.00 0.00 N ATOM 423 CA GLN A 32 -6.480 3.459 3.756 1.00 0.00 C ATOM 424 C GLN A 32 -5.652 2.521 4.628 1.00 0.00 C ATOM 425 O GLN A 32 -6.145 1.983 5.620 1.00 0.00 O ATOM 426 CB GLN A 32 -6.650 4.808 4.455 1.00 0.00 C ATOM 427 CG GLN A 32 -5.337 5.524 4.726 1.00 0.00 C ATOM 428 CD GLN A 32 -5.535 6.902 5.326 1.00 0.00 C ATOM 429 OE1 GLN A 32 -4.618 7.815 5.028 1.00 0.00 O flip ATOM 430 NE2 GLN A 32 -6.501 7.143 6.050 1.00 0.00 N flip ATOM 0 H GLN A 32 -8.442 2.895 4.233 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.952 3.611 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.283 5.448 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.172 4.655 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.732 4.921 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.778 5.615 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.182 6.411 6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.621 8.075 6.447 1.00 0.00 H new ATOM 439 N CYS A 33 -4.392 2.330 4.252 1.00 0.00 N ATOM 440 CA CYS A 33 -3.495 1.456 5.000 1.00 0.00 C ATOM 441 C CYS A 33 -2.080 2.022 5.025 1.00 0.00 C ATOM 442 O CYS A 33 -1.826 3.108 4.504 1.00 0.00 O ATOM 443 CB CYS A 33 -3.486 0.055 4.387 1.00 0.00 C ATOM 444 SG CYS A 33 -3.041 0.019 2.634 1.00 0.00 S ATOM 0 H CYS A 33 -3.969 2.768 3.434 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.860 1.394 6.025 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.785 -0.568 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.474 -0.390 4.509 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.346 1.157 2.085 1.00 0.00 H new ATOM 450 N SER A 34 -1.162 1.281 5.637 1.00 0.00 N ATOM 451 CA SER A 34 0.228 1.712 5.735 1.00 0.00 C ATOM 452 C SER A 34 1.174 0.604 5.282 1.00 0.00 C ATOM 453 O SER A 34 1.241 -0.461 5.897 1.00 0.00 O ATOM 454 CB SER A 34 0.556 2.122 7.172 1.00 0.00 C ATOM 455 OG SER A 34 1.662 3.007 7.210 1.00 0.00 O ATOM 0 H SER A 34 -1.356 0.379 6.073 1.00 0.00 H new ATOM 0 HA SER A 34 0.363 2.572 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.313 2.601 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.776 1.235 7.766 1.00 0.00 H new ATOM 0 HG SER A 34 1.850 3.255 8.139 1.00 0.00 H new ATOM 461 N VAL A 35 1.904 0.862 4.202 1.00 0.00 N ATOM 462 CA VAL A 35 2.847 -0.111 3.666 1.00 0.00 C ATOM 463 C VAL A 35 4.260 0.459 3.621 1.00 0.00 C ATOM 464 O VAL A 35 4.515 1.460 2.951 1.00 0.00 O ATOM 465 CB VAL A 35 2.443 -0.564 2.250 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.209 0.641 1.351 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.504 -1.481 1.661 1.00 0.00 C ATOM 0 H VAL A 35 1.860 1.738 3.681 1.00 0.00 H new ATOM 0 HA VAL A 35 2.827 -0.972 4.335 1.00 0.00 H new ATOM 0 HB VAL A 35 1.510 -1.123 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.925 0.302 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.411 1.256 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.124 1.230 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.202 -1.791 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.454 -0.949 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.617 -2.360 2.295 1.00 0.00 H new ATOM 477 N ARG A 36 5.175 -0.184 4.339 1.00 0.00 N ATOM 478 CA ARG A 36 6.563 0.260 4.382 1.00 0.00 C ATOM 479 C ARG A 36 7.435 -0.590 3.462 1.00 0.00 C ATOM 480 O ARG A 36 7.073 -1.712 3.110 1.00 0.00 O ATOM 481 CB ARG A 36 7.098 0.194 5.814 1.00 0.00 C ATOM 482 CG ARG A 36 6.264 0.979 6.813 1.00 0.00 C ATOM 483 CD ARG A 36 7.013 1.192 8.119 1.00 0.00 C ATOM 484 NE ARG A 36 6.832 0.074 9.042 1.00 0.00 N ATOM 485 CZ ARG A 36 7.570 -1.030 9.012 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.534 -1.163 8.111 1.00 0.00 N ATOM 487 NH2 ARG A 36 7.345 -2.003 9.885 1.00 0.00 N ATOM 0 H ARG A 36 4.980 -1.014 4.899 1.00 0.00 H new ATOM 0 HA ARG A 36 6.598 1.293 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.141 -0.849 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.120 0.574 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.995 1.945 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.333 0.447 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.075 1.322 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.666 2.111 8.590 1.00 0.00 H new ATOM 0 HE ARG A 36 6.099 0.145 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.710 -0.416 7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.099 -2.012 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.605 -1.904 10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.912 -2.851 9.861 1.00 0.00 H new ATOM 501 N GLY A 37 8.585 -0.046 3.076 1.00 0.00 N ATOM 502 CA GLY A 37 9.490 -0.767 2.200 1.00 0.00 C ATOM 503 C GLY A 37 10.374 0.159 1.390 1.00 0.00 C ATOM 504 O GLY A 37 10.154 1.371 1.358 1.00 0.00 O ATOM 0 H GLY A 37 8.906 0.881 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.115 -1.431 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.911 -1.396 1.523 1.00 0.00 H new ATOM 508 N THR A 38 11.380 -0.410 0.733 1.00 0.00 N ATOM 509 CA THR A 38 12.303 0.373 -0.079 1.00 0.00 C ATOM 510 C THR A 38 13.081 -0.517 -1.041 1.00 0.00 C ATOM 511 O THR A 38 13.728 -1.486 -0.642 1.00 0.00 O ATOM 512 CB THR A 38 13.299 1.155 0.798 1.00 0.00 C ATOM 513 OG1 THR A 38 12.597 2.107 1.606 1.00 0.00 O ATOM 514 CG2 THR A 38 14.328 1.873 -0.061 1.00 0.00 C ATOM 0 H THR A 38 11.576 -1.411 0.748 1.00 0.00 H new ATOM 0 HA THR A 38 11.700 1.079 -0.649 1.00 0.00 H new ATOM 0 HB THR A 38 13.818 0.445 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.665 2.163 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.020 2.418 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.880 1.143 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.822 2.573 -0.726 1.00 0.00 H new ATOM 522 N PRO A 39 13.020 -0.184 -2.338 1.00 0.00 N ATOM 523 CA PRO A 39 12.253 0.966 -2.825 1.00 0.00 C ATOM 524 C PRO A 39 10.747 0.751 -2.708 1.00 0.00 C ATOM 525 O PRO A 39 10.292 -0.334 -2.345 1.00 0.00 O ATOM 526 CB PRO A 39 12.665 1.072 -4.295 1.00 0.00 C ATOM 527 CG PRO A 39 13.087 -0.307 -4.670 1.00 0.00 C ATOM 528 CD PRO A 39 13.694 -0.905 -3.431 1.00 0.00 C ATOM 0 HA PRO A 39 12.457 1.866 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.836 1.415 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.479 1.785 -4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.236 -0.896 -5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.808 -0.286 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.515 -1.979 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.774 -0.760 -3.402 1.00 0.00 H new ATOM 536 N VAL A 40 9.980 1.791 -3.018 1.00 0.00 N ATOM 537 CA VAL A 40 8.525 1.714 -2.950 1.00 0.00 C ATOM 538 C VAL A 40 8.003 0.492 -3.696 1.00 0.00 C ATOM 539 O VAL A 40 8.236 0.319 -4.893 1.00 0.00 O ATOM 540 CB VAL A 40 7.869 2.979 -3.535 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.356 2.825 -3.575 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.267 4.207 -2.730 1.00 0.00 C ATOM 0 H VAL A 40 10.341 2.696 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 40 8.261 1.631 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 40 8.224 3.112 -4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.909 3.728 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.094 1.970 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.980 2.666 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.794 5.091 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.942 4.086 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.350 4.325 -2.758 1.00 0.00 H new ATOM 552 N PRO A 41 7.280 -0.378 -2.975 1.00 0.00 N ATOM 553 CA PRO A 41 6.708 -1.599 -3.550 1.00 0.00 C ATOM 554 C PRO A 41 5.569 -1.306 -4.520 1.00 0.00 C ATOM 555 O PRO A 41 4.916 -0.266 -4.430 1.00 0.00 O ATOM 556 CB PRO A 41 6.186 -2.356 -2.326 1.00 0.00 C ATOM 557 CG PRO A 41 5.927 -1.298 -1.309 1.00 0.00 C ATOM 558 CD PRO A 41 6.963 -0.234 -1.545 1.00 0.00 C ATOM 0 HA PRO A 41 7.441 -2.156 -4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.277 -2.910 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.917 -3.080 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.921 -0.893 -1.415 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.004 -1.700 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.578 0.760 -1.317 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.844 -0.385 -0.921 1.00 0.00 H new ATOM 566 N ARG A 42 5.336 -2.229 -5.448 1.00 0.00 N ATOM 567 CA ARG A 42 4.276 -2.068 -6.436 1.00 0.00 C ATOM 568 C ARG A 42 2.902 -2.192 -5.784 1.00 0.00 C ATOM 569 O ARG A 42 2.575 -3.222 -5.194 1.00 0.00 O ATOM 570 CB ARG A 42 4.422 -3.110 -7.546 1.00 0.00 C ATOM 571 CG ARG A 42 5.343 -2.675 -8.674 1.00 0.00 C ATOM 572 CD ARG A 42 6.790 -2.599 -8.214 1.00 0.00 C ATOM 573 NE ARG A 42 7.707 -2.363 -9.326 1.00 0.00 N ATOM 574 CZ ARG A 42 9.021 -2.239 -9.182 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.571 -2.330 -7.979 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.789 -2.025 -10.243 1.00 0.00 N ATOM 0 H ARG A 42 5.867 -3.096 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 42 4.365 -1.072 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.802 -4.036 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.437 -3.330 -7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.260 -3.377 -9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.027 -1.701 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.896 -1.799 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.060 -3.528 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 42 7.316 -2.289 -10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.984 -2.496 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.581 -2.234 -7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.370 -1.956 -11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.798 -1.930 -10.131 1.00 0.00 H new ATOM 590 N ILE A 43 2.103 -1.136 -5.895 1.00 0.00 N ATOM 591 CA ILE A 43 0.765 -1.128 -5.317 1.00 0.00 C ATOM 592 C ILE A 43 -0.277 -1.577 -6.336 1.00 0.00 C ATOM 593 O ILE A 43 -0.591 -0.852 -7.281 1.00 0.00 O ATOM 594 CB ILE A 43 0.386 0.271 -4.795 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.491 0.817 -3.887 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.940 0.217 -4.051 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.869 -0.123 -2.764 1.00 0.00 C ATOM 0 H ILE A 43 2.359 -0.276 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 43 0.778 -1.828 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 43 0.276 0.943 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.375 1.025 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.165 1.766 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.194 1.213 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.721 -0.134 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.856 -0.466 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.657 0.328 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.997 -0.312 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.226 -1.064 -3.182 1.00 0.00 H new ATOM 609 N THR A 44 -0.812 -2.777 -6.137 1.00 0.00 N ATOM 610 CA THR A 44 -1.819 -3.324 -7.038 1.00 0.00 C ATOM 611 C THR A 44 -3.003 -3.888 -6.261 1.00 0.00 C ATOM 612 O THR A 44 -2.852 -4.822 -5.473 1.00 0.00 O ATOM 613 CB THR A 44 -1.232 -4.432 -7.932 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.116 -3.923 -8.673 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.283 -4.967 -8.892 1.00 0.00 C ATOM 0 H THR A 44 -0.565 -3.389 -5.359 1.00 0.00 H new ATOM 0 HA THR A 44 -2.159 -2.502 -7.668 1.00 0.00 H new ATOM 0 HB THR A 44 -0.900 -5.249 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.253 -4.634 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.845 -5.748 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.117 -5.380 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.641 -4.157 -9.527 1.00 0.00 H new ATOM 623 N TRP A 45 -4.180 -3.317 -6.489 1.00 0.00 N ATOM 624 CA TRP A 45 -5.391 -3.765 -5.810 1.00 0.00 C ATOM 625 C TRP A 45 -6.153 -4.772 -6.663 1.00 0.00 C ATOM 626 O TRP A 45 -6.466 -4.505 -7.825 1.00 0.00 O ATOM 627 CB TRP A 45 -6.289 -2.570 -5.484 1.00 0.00 C ATOM 628 CG TRP A 45 -5.648 -1.579 -4.560 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.686 -0.664 -4.880 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.921 -1.406 -3.165 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.345 0.068 -3.768 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.089 -0.367 -2.704 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.788 -2.026 -2.262 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.100 0.062 -1.379 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.798 -1.599 -0.948 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.959 -0.563 -0.517 1.00 0.00 C ATOM 0 H TRP A 45 -4.322 -2.543 -7.138 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.097 -4.254 -4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.563 -2.067 -6.411 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.213 -2.932 -5.033 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.256 -0.535 -5.862 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.650 0.814 -3.740 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.439 -2.825 -2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.453 0.860 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.464 -2.072 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.991 -0.252 0.517 1.00 0.00 H new ATOM 647 N LEU A 46 -6.451 -5.929 -6.082 1.00 0.00 N ATOM 648 CA LEU A 46 -7.178 -6.976 -6.791 1.00 0.00 C ATOM 649 C LEU A 46 -8.509 -7.273 -6.108 1.00 0.00 C ATOM 650 O LEU A 46 -8.552 -7.583 -4.916 1.00 0.00 O ATOM 651 CB LEU A 46 -6.334 -8.250 -6.863 1.00 0.00 C ATOM 652 CG LEU A 46 -4.981 -8.120 -7.564 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.915 -7.652 -6.585 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.580 -9.443 -8.199 1.00 0.00 C ATOM 0 H LEU A 46 -6.200 -6.166 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.380 -6.623 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.162 -8.606 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.914 -9.018 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.073 -7.374 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.959 -7.565 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.196 -6.681 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.824 -8.374 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.615 -9.332 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.506 -10.209 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.331 -9.737 -8.932 1.00 0.00 H new ATOM 666 N LEU A 47 -9.593 -7.177 -6.870 1.00 0.00 N ATOM 667 CA LEU A 47 -10.926 -7.438 -6.339 1.00 0.00 C ATOM 668 C LEU A 47 -11.594 -8.589 -7.084 1.00 0.00 C ATOM 669 O LEU A 47 -11.396 -8.761 -8.286 1.00 0.00 O ATOM 670 CB LEU A 47 -11.791 -6.180 -6.439 1.00 0.00 C ATOM 671 CG LEU A 47 -13.183 -6.271 -5.812 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.101 -6.098 -4.303 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.111 -5.229 -6.420 1.00 0.00 C ATOM 0 H LEU A 47 -9.575 -6.920 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.824 -7.719 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.255 -5.356 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.905 -5.924 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.591 -7.259 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.101 -6.166 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.471 -6.881 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.672 -5.123 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.097 -5.308 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.707 -4.233 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.195 -5.399 -7.493 1.00 0.00 H new ATOM 685 N ASN A 48 -12.388 -9.373 -6.362 1.00 0.00 N ATOM 686 CA ASN A 48 -13.087 -10.508 -6.956 1.00 0.00 C ATOM 687 C ASN A 48 -12.109 -11.435 -7.670 1.00 0.00 C ATOM 688 O ASN A 48 -12.399 -11.947 -8.751 1.00 0.00 O ATOM 689 CB ASN A 48 -14.154 -10.019 -7.937 1.00 0.00 C ATOM 690 CG ASN A 48 -15.055 -8.960 -7.332 1.00 0.00 C ATOM 691 OD1 ASN A 48 -15.388 -7.968 -7.980 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.454 -9.167 -6.082 1.00 0.00 N ATOM 0 H ASN A 48 -12.564 -9.244 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.570 -11.067 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.669 -9.615 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.760 -10.865 -8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.061 -8.489 -5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.153 -10.004 -5.583 1.00 0.00 H new ATOM 699 N GLY A 49 -10.948 -11.649 -7.058 1.00 0.00 N ATOM 700 CA GLY A 49 -9.946 -12.515 -7.650 1.00 0.00 C ATOM 701 C GLY A 49 -9.420 -11.979 -8.966 1.00 0.00 C ATOM 702 O GLY A 49 -8.818 -12.715 -9.747 1.00 0.00 O ATOM 0 H GLY A 49 -10.684 -11.238 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.117 -12.635 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.374 -13.505 -7.810 1.00 0.00 H new ATOM 706 N GLN A 50 -9.649 -10.693 -9.213 1.00 0.00 N ATOM 707 CA GLN A 50 -9.196 -10.060 -10.446 1.00 0.00 C ATOM 708 C GLN A 50 -8.673 -8.653 -10.176 1.00 0.00 C ATOM 709 O GLN A 50 -9.172 -7.935 -9.309 1.00 0.00 O ATOM 710 CB GLN A 50 -10.335 -10.006 -11.465 1.00 0.00 C ATOM 711 CG GLN A 50 -11.374 -8.938 -11.161 1.00 0.00 C ATOM 712 CD GLN A 50 -12.180 -8.543 -12.382 1.00 0.00 C ATOM 713 OE1 GLN A 50 -13.123 -9.235 -12.768 1.00 0.00 O ATOM 714 NE2 GLN A 50 -11.813 -7.426 -12.999 1.00 0.00 N ATOM 0 H GLN A 50 -10.145 -10.070 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.381 -10.659 -10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.917 -9.823 -12.455 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.826 -10.979 -11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.049 -9.303 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.876 -8.056 -10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.025 -6.883 -12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.319 -7.111 -13.827 1.00 0.00 H new ATOM 723 N PRO A 51 -7.643 -8.248 -10.933 1.00 0.00 N ATOM 724 CA PRO A 51 -7.029 -6.924 -10.793 1.00 0.00 C ATOM 725 C PRO A 51 -7.948 -5.806 -11.273 1.00 0.00 C ATOM 726 O PRO A 51 -8.600 -5.928 -12.311 1.00 0.00 O ATOM 727 CB PRO A 51 -5.786 -7.013 -11.682 1.00 0.00 C ATOM 728 CG PRO A 51 -6.116 -8.059 -12.690 1.00 0.00 C ATOM 729 CD PRO A 51 -6.997 -9.052 -11.985 1.00 0.00 C ATOM 0 HA PRO A 51 -6.809 -6.685 -9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.571 -6.057 -12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.904 -7.285 -11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.627 -7.625 -13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.212 -8.538 -13.066 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.730 -9.491 -12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.419 -9.875 -11.564 1.00 0.00 H new ATOM 737 N ILE A 52 -7.996 -4.718 -10.512 1.00 0.00 N ATOM 738 CA ILE A 52 -8.834 -3.578 -10.862 1.00 0.00 C ATOM 739 C ILE A 52 -8.135 -2.670 -11.868 1.00 0.00 C ATOM 740 O ILE A 52 -7.002 -2.242 -11.650 1.00 0.00 O ATOM 741 CB ILE A 52 -9.210 -2.753 -9.617 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.595 -3.679 -8.462 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.349 -1.797 -9.939 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.833 -2.951 -7.157 1.00 0.00 C ATOM 0 H ILE A 52 -7.465 -4.602 -9.649 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.743 -3.980 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.344 -2.165 -9.313 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.497 -4.228 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.805 -4.416 -8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.603 -1.221 -9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.041 -1.119 -10.734 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.220 -2.366 -10.264 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.102 -3.670 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.925 -2.424 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.644 -2.234 -7.283 1.00 0.00 H new ATOM 756 N GLN A 53 -8.820 -2.378 -12.969 1.00 0.00 N ATOM 757 CA GLN A 53 -8.265 -1.520 -14.009 1.00 0.00 C ATOM 758 C GLN A 53 -8.575 -0.053 -13.726 1.00 0.00 C ATOM 759 O GLN A 53 -7.783 0.832 -14.049 1.00 0.00 O ATOM 760 CB GLN A 53 -8.820 -1.916 -15.378 1.00 0.00 C ATOM 761 CG GLN A 53 -8.444 -0.950 -16.490 1.00 0.00 C ATOM 762 CD GLN A 53 -7.038 -1.178 -17.009 1.00 0.00 C ATOM 763 OE1 GLN A 53 -6.077 -1.209 -16.240 1.00 0.00 O ATOM 764 NE2 GLN A 53 -6.910 -1.338 -18.321 1.00 0.00 N ATOM 0 H GLN A 53 -9.760 -2.723 -13.164 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.183 -1.650 -14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.456 -2.911 -15.634 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.906 -1.980 -15.316 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.152 -1.054 -17.312 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.530 0.073 -16.123 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.734 -1.305 -18.922 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.988 -1.494 -18.728 1.00 0.00 H new ATOM 773 N TYR A 54 -9.732 0.196 -13.123 1.00 0.00 N ATOM 774 CA TYR A 54 -10.148 1.556 -12.800 1.00 0.00 C ATOM 775 C TYR A 54 -9.906 1.863 -11.325 1.00 0.00 C ATOM 776 O TYR A 54 -10.693 2.563 -10.688 1.00 0.00 O ATOM 777 CB TYR A 54 -11.627 1.753 -13.138 1.00 0.00 C ATOM 778 CG TYR A 54 -12.517 0.641 -12.631 1.00 0.00 C ATOM 779 CD1 TYR A 54 -12.656 -0.544 -13.344 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.218 0.774 -11.439 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.470 -1.562 -12.885 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.033 -0.239 -10.972 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.155 -1.405 -11.699 1.00 0.00 C ATOM 784 OH TYR A 54 -14.965 -2.418 -11.238 1.00 0.00 O ATOM 0 H TYR A 54 -10.398 -0.526 -12.848 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.551 2.244 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -11.965 2.699 -12.715 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -11.737 1.830 -14.220 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.119 -0.671 -14.272 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.124 1.685 -10.867 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.569 -2.476 -13.452 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.571 -0.119 -10.043 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.374 -2.149 -10.389 1.00 0.00 H new ATOM 794 N ALA A 55 -8.811 1.335 -10.789 1.00 0.00 N ATOM 795 CA ALA A 55 -8.463 1.554 -9.391 1.00 0.00 C ATOM 796 C ALA A 55 -7.606 2.805 -9.228 1.00 0.00 C ATOM 797 O ALA A 55 -6.386 2.757 -9.385 1.00 0.00 O ATOM 798 CB ALA A 55 -7.738 0.339 -8.830 1.00 0.00 C ATOM 0 H ALA A 55 -8.149 0.752 -11.302 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.387 1.702 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.484 0.517 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.384 -0.536 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.826 0.164 -9.400 1.00 0.00 H new ATOM 804 N ARG A 56 -8.253 3.922 -8.913 1.00 0.00 N ATOM 805 CA ARG A 56 -7.549 5.186 -8.731 1.00 0.00 C ATOM 806 C ARG A 56 -6.857 5.232 -7.372 1.00 0.00 C ATOM 807 O ARG A 56 -7.022 6.186 -6.612 1.00 0.00 O ATOM 808 CB ARG A 56 -8.523 6.359 -8.859 1.00 0.00 C ATOM 809 CG ARG A 56 -8.881 6.699 -10.297 1.00 0.00 C ATOM 810 CD ARG A 56 -9.192 8.179 -10.458 1.00 0.00 C ATOM 811 NE ARG A 56 -10.556 8.500 -10.045 1.00 0.00 N ATOM 812 CZ ARG A 56 -11.632 8.195 -10.761 1.00 0.00 C ATOM 813 NH1 ARG A 56 -11.504 7.563 -11.920 1.00 0.00 N ATOM 814 NH2 ARG A 56 -12.839 8.521 -10.319 1.00 0.00 N ATOM 0 H ARG A 56 -9.263 3.978 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.790 5.266 -9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.436 6.124 -8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.085 7.237 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.055 6.426 -10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.743 6.109 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.487 8.764 -9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.051 8.468 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.689 8.985 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.577 7.310 -12.263 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.332 7.330 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.942 9.007 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.665 8.286 -10.870 1.00 0.00 H new ATOM 828 N SER A 57 -6.081 4.195 -7.074 1.00 0.00 N ATOM 829 CA SER A 57 -5.366 4.115 -5.806 1.00 0.00 C ATOM 830 C SER A 57 -4.272 5.176 -5.730 1.00 0.00 C ATOM 831 O SER A 57 -3.642 5.508 -6.735 1.00 0.00 O ATOM 832 CB SER A 57 -4.756 2.724 -5.626 1.00 0.00 C ATOM 833 OG SER A 57 -3.659 2.531 -6.502 1.00 0.00 O ATOM 0 H SER A 57 -5.931 3.399 -7.693 1.00 0.00 H new ATOM 0 HA SER A 57 -6.081 4.297 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.428 2.598 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.514 1.964 -5.815 1.00 0.00 H new ATOM 0 HG SER A 57 -3.286 1.635 -6.366 1.00 0.00 H new ATOM 839 N THR A 58 -4.051 5.705 -4.531 1.00 0.00 N ATOM 840 CA THR A 58 -3.035 6.729 -4.323 1.00 0.00 C ATOM 841 C THR A 58 -2.115 6.363 -3.164 1.00 0.00 C ATOM 842 O THR A 58 -2.539 6.330 -2.008 1.00 0.00 O ATOM 843 CB THR A 58 -3.672 8.104 -4.043 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.645 7.989 -2.999 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.328 8.661 -5.297 1.00 0.00 C ATOM 0 H THR A 58 -4.562 5.441 -3.689 1.00 0.00 H new ATOM 0 HA THR A 58 -2.452 6.787 -5.242 1.00 0.00 H new ATOM 0 HB THR A 58 -2.884 8.789 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.283 7.438 -2.274 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.771 9.632 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.578 8.774 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.106 7.976 -5.636 1.00 0.00 H new ATOM 853 N CYS A 59 -0.854 6.089 -3.480 1.00 0.00 N ATOM 854 CA CYS A 59 0.127 5.724 -2.464 1.00 0.00 C ATOM 855 C CYS A 59 1.090 6.877 -2.200 1.00 0.00 C ATOM 856 O CYS A 59 1.861 7.266 -3.077 1.00 0.00 O ATOM 857 CB CYS A 59 0.906 4.482 -2.899 1.00 0.00 C ATOM 858 SG CYS A 59 2.288 4.059 -1.813 1.00 0.00 S ATOM 0 H CYS A 59 -0.487 6.113 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.408 5.502 -1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.222 3.635 -2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.286 4.640 -3.908 1.00 0.00 H new ATOM 0 HG CYS A 59 2.883 2.994 -2.263 1.00 0.00 H new ATOM 864 N GLU A 60 1.039 7.419 -0.988 1.00 0.00 N ATOM 865 CA GLU A 60 1.906 8.529 -0.610 1.00 0.00 C ATOM 866 C GLU A 60 2.599 8.250 0.720 1.00 0.00 C ATOM 867 O GLU A 60 1.969 7.805 1.679 1.00 0.00 O ATOM 868 CB GLU A 60 1.099 9.826 -0.516 1.00 0.00 C ATOM 869 CG GLU A 60 -0.119 9.721 0.387 1.00 0.00 C ATOM 870 CD GLU A 60 -0.496 11.049 1.014 1.00 0.00 C ATOM 871 OE1 GLU A 60 0.269 11.540 1.870 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.557 11.597 0.648 1.00 0.00 O ATOM 0 H GLU A 60 0.407 7.108 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 60 2.669 8.639 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.747 10.621 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.776 10.116 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.963 9.343 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.079 8.994 1.175 1.00 0.00 H new ATOM 879 N ALA A 61 3.900 8.516 0.770 1.00 0.00 N ATOM 880 CA ALA A 61 4.679 8.295 1.982 1.00 0.00 C ATOM 881 C ALA A 61 4.375 6.930 2.589 1.00 0.00 C ATOM 882 O ALA A 61 4.284 6.788 3.808 1.00 0.00 O ATOM 883 CB ALA A 61 4.405 9.398 2.994 1.00 0.00 C ATOM 0 H ALA A 61 4.437 8.885 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 61 5.735 8.317 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.993 9.220 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.680 10.362 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.345 9.403 3.248 1.00 0.00 H new ATOM 889 N GLY A 62 4.217 5.927 1.731 1.00 0.00 N ATOM 890 CA GLY A 62 3.923 4.586 2.202 1.00 0.00 C ATOM 891 C GLY A 62 2.495 4.443 2.690 1.00 0.00 C ATOM 892 O GLY A 62 2.210 3.629 3.569 1.00 0.00 O ATOM 0 H GLY A 62 4.287 6.019 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.101 3.874 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.607 4.330 3.011 1.00 0.00 H new ATOM 896 N VAL A 63 1.594 5.236 2.119 1.00 0.00 N ATOM 897 CA VAL A 63 0.188 5.194 2.501 1.00 0.00 C ATOM 898 C VAL A 63 -0.698 4.875 1.302 1.00 0.00 C ATOM 899 O VAL A 63 -1.136 5.773 0.584 1.00 0.00 O ATOM 900 CB VAL A 63 -0.266 6.530 3.119 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.741 6.476 3.486 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.582 6.869 4.336 1.00 0.00 C ATOM 0 H VAL A 63 1.813 5.915 1.390 1.00 0.00 H new ATOM 0 HA VAL A 63 0.086 4.404 3.245 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.130 7.318 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.043 7.429 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.332 6.282 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.907 5.678 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.248 7.816 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.479 6.081 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.627 6.953 4.039 1.00 0.00 H new ATOM 912 N ALA A 64 -0.958 3.589 1.092 1.00 0.00 N ATOM 913 CA ALA A 64 -1.794 3.150 -0.019 1.00 0.00 C ATOM 914 C ALA A 64 -3.273 3.356 0.293 1.00 0.00 C ATOM 915 O ALA A 64 -3.768 2.900 1.322 1.00 0.00 O ATOM 916 CB ALA A 64 -1.519 1.689 -0.341 1.00 0.00 C ATOM 0 H ALA A 64 -0.602 2.833 1.676 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.545 3.755 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.150 1.375 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.471 1.568 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.739 1.076 0.533 1.00 0.00 H new ATOM 922 N GLU A 65 -3.971 4.046 -0.604 1.00 0.00 N ATOM 923 CA GLU A 65 -5.393 4.312 -0.422 1.00 0.00 C ATOM 924 C GLU A 65 -6.163 4.061 -1.716 1.00 0.00 C ATOM 925 O GLU A 65 -5.633 4.243 -2.813 1.00 0.00 O ATOM 926 CB GLU A 65 -5.609 5.755 0.040 1.00 0.00 C ATOM 927 CG GLU A 65 -4.745 6.149 1.226 1.00 0.00 C ATOM 928 CD GLU A 65 -5.398 7.204 2.099 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.618 7.097 2.345 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.691 8.135 2.535 1.00 0.00 O ATOM 0 H GLU A 65 -3.576 4.430 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.769 3.632 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.400 6.429 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.658 5.890 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.535 5.265 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.787 6.524 0.865 1.00 0.00 H new ATOM 937 N LEU A 66 -7.416 3.641 -1.579 1.00 0.00 N ATOM 938 CA LEU A 66 -8.261 3.364 -2.736 1.00 0.00 C ATOM 939 C LEU A 66 -9.627 4.024 -2.583 1.00 0.00 C ATOM 940 O LEU A 66 -10.507 3.503 -1.898 1.00 0.00 O ATOM 941 CB LEU A 66 -8.429 1.854 -2.919 1.00 0.00 C ATOM 942 CG LEU A 66 -9.256 1.413 -4.126 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.409 1.428 -5.389 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.844 0.029 -3.892 1.00 0.00 C ATOM 0 H LEU A 66 -7.869 3.485 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.774 3.779 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.439 1.405 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.891 1.448 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.077 2.118 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.015 1.111 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.037 2.437 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.567 0.746 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.430 -0.269 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.037 -0.687 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.486 0.051 -3.012 1.00 0.00 H new ATOM 956 N HIS A 67 -9.798 5.174 -3.229 1.00 0.00 N ATOM 957 CA HIS A 67 -11.059 5.905 -3.168 1.00 0.00 C ATOM 958 C HIS A 67 -12.120 5.230 -4.031 1.00 0.00 C ATOM 959 O HIS A 67 -11.986 5.159 -5.253 1.00 0.00 O ATOM 960 CB HIS A 67 -10.857 7.350 -3.622 1.00 0.00 C ATOM 961 CG HIS A 67 -9.869 8.108 -2.790 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.225 9.150 -1.961 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.529 7.968 -2.662 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.147 9.620 -1.359 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.104 8.919 -1.767 1.00 0.00 N ATOM 0 H HIS A 67 -9.080 5.619 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.403 5.903 -2.134 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.523 7.353 -4.660 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.816 7.868 -3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.909 7.243 -3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.122 10.438 -0.654 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.140 9.061 -1.466 1.00 0.00 H new ATOM 974 N ILE A 68 -13.174 4.737 -3.389 1.00 0.00 N ATOM 975 CA ILE A 68 -14.257 4.069 -4.099 1.00 0.00 C ATOM 976 C ILE A 68 -15.603 4.706 -3.772 1.00 0.00 C ATOM 977 O ILE A 68 -16.175 4.460 -2.711 1.00 0.00 O ATOM 978 CB ILE A 68 -14.315 2.569 -3.756 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.973 1.901 -4.063 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.438 1.892 -4.527 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.569 1.998 -5.517 1.00 0.00 C ATOM 0 H ILE A 68 -13.301 4.788 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.053 4.182 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.517 2.463 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.199 2.360 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.026 0.850 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.466 0.832 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.390 2.353 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.264 2.005 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.608 1.503 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.323 1.514 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.484 3.047 -5.802 1.00 0.00 H new ATOM 993 N GLN A 69 -16.104 5.524 -4.692 1.00 0.00 N ATOM 994 CA GLN A 69 -17.384 6.196 -4.502 1.00 0.00 C ATOM 995 C GLN A 69 -18.536 5.317 -4.978 1.00 0.00 C ATOM 996 O GLN A 69 -18.325 4.325 -5.677 1.00 0.00 O ATOM 997 CB GLN A 69 -17.401 7.529 -5.251 1.00 0.00 C ATOM 998 CG GLN A 69 -17.330 7.379 -6.762 1.00 0.00 C ATOM 999 CD GLN A 69 -17.908 8.574 -7.495 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -18.891 9.170 -7.056 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -17.297 8.930 -8.619 1.00 0.00 N ATOM 0 H GLN A 69 -15.643 5.737 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.511 6.385 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.310 8.071 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.560 8.136 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.291 7.242 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.869 6.480 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.485 8.407 -8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.640 9.727 -9.156 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.753 5.686 -4.594 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.939 4.931 -4.982 1.00 0.00 C ATOM 1012 C ASP A 70 -20.779 3.453 -4.640 1.00 0.00 C ATOM 1013 O ASP A 70 -20.967 2.585 -5.491 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.206 5.094 -6.479 1.00 0.00 C ATOM 1015 CG ASP A 70 -22.657 4.844 -6.840 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -23.492 5.741 -6.598 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.958 3.751 -7.363 1.00 0.00 O ATOM 0 H ASP A 70 -19.944 6.503 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.788 5.325 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.927 6.102 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -20.572 4.403 -7.035 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.430 3.176 -3.388 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.246 1.803 -2.932 1.00 0.00 C ATOM 1024 C ALA A 71 -21.497 0.969 -3.182 1.00 0.00 C ATOM 1025 O ALA A 71 -22.417 0.951 -2.363 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.881 1.782 -1.455 1.00 0.00 C ATOM 0 H ALA A 71 -20.269 3.884 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.428 1.363 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.747 0.751 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.954 2.335 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.680 2.245 -0.876 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.527 0.281 -4.318 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.667 -0.556 -4.676 1.00 0.00 C ATOM 1034 C LEU A 72 -22.552 -1.936 -4.036 1.00 0.00 C ATOM 1035 O LEU A 72 -21.465 -2.398 -3.690 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.766 -0.693 -6.197 1.00 0.00 C ATOM 1037 CG LEU A 72 -23.360 0.503 -6.941 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -23.012 0.437 -8.420 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.869 0.554 -6.748 1.00 0.00 C ATOM 0 H LEU A 72 -20.775 0.286 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.571 -0.076 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.767 -0.881 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.369 -1.572 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.929 1.415 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.443 1.296 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.929 0.448 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.415 -0.481 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -25.276 1.411 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -25.316 -0.362 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -25.097 0.649 -5.686 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.700 -2.611 -3.876 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.755 -3.949 -3.279 1.00 0.00 C ATOM 1053 C PRO A 73 -23.141 -5.012 -4.184 1.00 0.00 C ATOM 1054 O PRO A 73 -22.980 -6.164 -3.781 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.255 -4.197 -3.103 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.905 -3.338 -4.132 1.00 0.00 C ATOM 1057 CD PRO A 73 -25.033 -2.120 -4.266 1.00 0.00 C ATOM 0 HA PRO A 73 -23.188 -4.005 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.502 -5.248 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.585 -3.930 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.989 -3.864 -5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.915 -3.063 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -25.037 -1.733 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.369 -1.311 -3.617 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.801 -4.618 -5.406 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.205 -5.539 -6.367 1.00 0.00 C ATOM 1067 C GLU A 74 -20.688 -5.380 -6.404 1.00 0.00 C ATOM 1068 O GLU A 74 -19.981 -6.203 -6.986 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.788 -5.304 -7.762 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.447 -3.941 -8.342 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.577 -3.901 -9.852 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.715 -3.756 -10.347 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.540 -4.014 -10.539 1.00 0.00 O ATOM 0 H GLU A 74 -22.928 -3.668 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.439 -6.555 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.421 -6.078 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.872 -5.409 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.104 -3.189 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.428 -3.676 -8.062 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.195 -4.316 -5.780 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.762 -4.049 -5.741 1.00 0.00 C ATOM 1082 C ASP A 75 -18.099 -4.805 -4.593 1.00 0.00 C ATOM 1083 O ASP A 75 -16.952 -5.241 -4.704 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.506 -2.548 -5.594 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.061 -2.178 -5.868 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.162 -2.849 -5.320 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.830 -1.217 -6.631 1.00 0.00 O ATOM 0 H ASP A 75 -20.766 -3.625 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.327 -4.395 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.154 -2.003 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.774 -2.234 -4.585 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.827 -4.956 -3.492 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.310 -5.659 -2.323 1.00 0.00 C ATOM 1094 C HIS A 76 -17.639 -6.968 -2.730 1.00 0.00 C ATOM 1095 O HIS A 76 -18.134 -7.688 -3.596 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.437 -5.938 -1.329 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.129 -7.246 -1.559 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.701 -7.594 -2.764 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.337 -8.295 -0.729 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.233 -8.799 -2.666 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.025 -9.247 -1.441 1.00 0.00 N ATOM 0 H HIS A 76 -19.777 -4.601 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.565 -5.022 -1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.030 -5.925 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.170 -5.133 -1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.021 -8.369 0.301 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.750 -9.328 -3.453 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.326 -10.153 -1.082 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.508 -7.269 -2.099 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.787 -8.489 -2.410 1.00 0.00 C ATOM 1112 C GLY A 77 -14.591 -8.703 -1.504 1.00 0.00 C ATOM 1113 O GLY A 77 -14.695 -8.577 -0.283 1.00 0.00 O ATOM 0 H GLY A 77 -16.078 -6.689 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.463 -9.339 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.452 -8.455 -3.447 1.00 0.00 H new ATOM 1117 N THR A 78 -13.449 -9.028 -2.102 1.00 0.00 N ATOM 1118 CA THR A 78 -12.228 -9.263 -1.341 1.00 0.00 C ATOM 1119 C THR A 78 -11.050 -8.505 -1.945 1.00 0.00 C ATOM 1120 O THR A 78 -10.424 -8.970 -2.898 1.00 0.00 O ATOM 1121 CB THR A 78 -11.882 -10.762 -1.281 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.974 -11.494 -0.712 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.625 -10.996 -0.458 1.00 0.00 C ATOM 0 H THR A 78 -13.344 -9.134 -3.111 1.00 0.00 H new ATOM 0 HA THR A 78 -12.411 -8.900 -0.330 1.00 0.00 H new ATOM 0 HB THR A 78 -11.701 -11.111 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.747 -12.447 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.401 -12.062 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.789 -10.462 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.782 -10.632 0.557 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.754 -7.338 -1.385 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.652 -6.515 -1.869 1.00 0.00 C ATOM 1133 C TYR A 79 -8.310 -7.073 -1.404 1.00 0.00 C ATOM 1134 O TYR A 79 -8.197 -7.617 -0.305 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.813 -5.073 -1.385 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.957 -4.338 -2.045 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.237 -4.375 -1.506 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.758 -3.603 -3.208 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.285 -3.705 -2.106 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.800 -2.929 -3.814 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.062 -2.983 -3.260 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.103 -2.313 -3.860 1.00 0.00 O ATOM 0 H TYR A 79 -11.262 -6.940 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.673 -6.529 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.968 -5.076 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.887 -4.530 -1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.416 -4.938 -0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.771 -3.558 -3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.274 -3.746 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.628 -2.362 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.672 -2.953 -4.337 1.00 0.00 H new ATOM 1152 N THR A 80 -7.294 -6.934 -2.249 1.00 0.00 N ATOM 1153 CA THR A 80 -5.959 -7.423 -1.927 1.00 0.00 C ATOM 1154 C THR A 80 -4.887 -6.450 -2.404 1.00 0.00 C ATOM 1155 O THR A 80 -4.701 -6.257 -3.606 1.00 0.00 O ATOM 1156 CB THR A 80 -5.700 -8.804 -2.557 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.785 -9.690 -2.258 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.398 -9.398 -2.042 1.00 0.00 C ATOM 0 H THR A 80 -7.370 -6.486 -3.162 1.00 0.00 H new ATOM 0 HA THR A 80 -5.908 -7.512 -0.842 1.00 0.00 H new ATOM 0 HB THR A 80 -5.621 -8.677 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.614 -10.566 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.236 -10.373 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.570 -8.736 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.453 -9.511 -0.959 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.183 -5.841 -1.457 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.128 -4.887 -1.781 1.00 0.00 C ATOM 1168 C CYS A 81 -1.773 -5.582 -1.860 1.00 0.00 C ATOM 1169 O CYS A 81 -1.123 -5.817 -0.840 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.083 -3.771 -0.737 1.00 0.00 C ATOM 1171 SG CYS A 81 -1.943 -2.427 -1.143 1.00 0.00 S ATOM 0 H CYS A 81 -4.323 -5.991 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.351 -4.453 -2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.085 -3.359 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.797 -4.198 0.224 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.976 -1.531 -0.202 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.353 -5.910 -3.077 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.074 -6.581 -3.289 1.00 0.00 C ATOM 1179 C LEU A 82 1.070 -5.573 -3.319 1.00 0.00 C ATOM 1180 O LEU A 82 0.954 -4.504 -3.918 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.104 -7.375 -4.596 1.00 0.00 C ATOM 1182 CG LEU A 82 1.254 -7.811 -5.148 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.041 -8.569 -4.090 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.074 -8.663 -6.395 1.00 0.00 C ATOM 0 H LEU A 82 -1.878 -5.723 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 82 0.092 -7.267 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.714 -8.265 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.605 -6.771 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 82 1.818 -6.919 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.004 -8.871 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.201 -7.925 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.482 -9.454 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.051 -8.964 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.491 -9.550 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.551 -8.086 -7.158 1.00 0.00 H new ATOM 1196 N ALA A 83 2.176 -5.922 -2.670 1.00 0.00 N ATOM 1197 CA ALA A 83 3.344 -5.050 -2.626 1.00 0.00 C ATOM 1198 C ALA A 83 4.635 -5.859 -2.683 1.00 0.00 C ATOM 1199 O ALA A 83 4.969 -6.580 -1.744 1.00 0.00 O ATOM 1200 CB ALA A 83 3.313 -4.190 -1.371 1.00 0.00 C ATOM 0 H ALA A 83 2.288 -6.802 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 83 3.315 -4.400 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.191 -3.544 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.411 -3.577 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.315 -4.832 -0.490 1.00 0.00 H new ATOM 1206 N GLU A 84 5.357 -5.734 -3.793 1.00 0.00 N ATOM 1207 CA GLU A 84 6.612 -6.456 -3.972 1.00 0.00 C ATOM 1208 C GLU A 84 7.669 -5.559 -4.609 1.00 0.00 C ATOM 1209 O GLU A 84 7.374 -4.782 -5.516 1.00 0.00 O ATOM 1210 CB GLU A 84 6.392 -7.698 -4.838 1.00 0.00 C ATOM 1211 CG GLU A 84 6.187 -7.385 -6.310 1.00 0.00 C ATOM 1212 CD GLU A 84 6.137 -8.633 -7.170 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.461 -9.603 -6.768 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.772 -8.640 -8.245 1.00 0.00 O ATOM 0 H GLU A 84 5.095 -5.141 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 84 6.967 -6.766 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.251 -8.361 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.523 -8.241 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.259 -6.826 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.995 -6.741 -6.657 1.00 0.00 H new ATOM 1221 N ASN A 85 8.902 -5.672 -4.126 1.00 0.00 N ATOM 1222 CA ASN A 85 10.004 -4.871 -4.647 1.00 0.00 C ATOM 1223 C ASN A 85 11.191 -5.755 -5.018 1.00 0.00 C ATOM 1224 O ASN A 85 11.095 -6.981 -4.998 1.00 0.00 O ATOM 1225 CB ASN A 85 10.434 -3.826 -3.616 1.00 0.00 C ATOM 1226 CG ASN A 85 10.977 -4.455 -2.348 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.183 -5.666 -2.281 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.211 -3.631 -1.333 1.00 0.00 N ATOM 0 H ASN A 85 9.163 -6.310 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 85 9.657 -4.363 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.196 -3.180 -4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.583 -3.192 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.576 -3.996 -0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.025 -2.633 -1.433 1.00 0.00 H new ATOM 1235 N ALA A 86 12.310 -5.122 -5.356 1.00 0.00 N ATOM 1236 CA ALA A 86 13.516 -5.850 -5.729 1.00 0.00 C ATOM 1237 C ALA A 86 14.135 -6.543 -4.520 1.00 0.00 C ATOM 1238 O ALA A 86 15.185 -7.178 -4.625 1.00 0.00 O ATOM 1239 CB ALA A 86 14.524 -4.908 -6.372 1.00 0.00 C ATOM 0 H ALA A 86 12.406 -4.107 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 86 13.238 -6.617 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.420 -5.465 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.087 -4.462 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.788 -4.121 -5.666 1.00 0.00 H new ATOM 1245 N LEU A 87 13.478 -6.417 -3.372 1.00 0.00 N ATOM 1246 CA LEU A 87 13.964 -7.032 -2.141 1.00 0.00 C ATOM 1247 C LEU A 87 13.037 -8.157 -1.691 1.00 0.00 C ATOM 1248 O LEU A 87 13.353 -9.335 -1.848 1.00 0.00 O ATOM 1249 CB LEU A 87 14.083 -5.981 -1.036 1.00 0.00 C ATOM 1250 CG LEU A 87 15.409 -5.222 -0.971 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.358 -3.984 -1.852 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.738 -4.844 0.466 1.00 0.00 C ATOM 0 H LEU A 87 12.608 -5.895 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 87 14.949 -7.455 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.279 -5.257 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.921 -6.472 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 87 16.198 -5.875 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.310 -3.456 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.170 -4.279 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.558 -3.327 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.685 -4.305 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.947 -4.209 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.818 -5.747 1.071 1.00 0.00 H new ATOM 1264 N GLY A 88 11.889 -7.784 -1.133 1.00 0.00 N ATOM 1265 CA GLY A 88 10.933 -8.773 -0.672 1.00 0.00 C ATOM 1266 C GLY A 88 9.573 -8.611 -1.321 1.00 0.00 C ATOM 1267 O GLY A 88 9.409 -7.811 -2.242 1.00 0.00 O ATOM 0 H GLY A 88 11.604 -6.815 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.317 -9.771 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.827 -8.695 0.410 1.00 0.00 H new ATOM 1271 N GLN A 89 8.595 -9.373 -0.841 1.00 0.00 N ATOM 1272 CA GLN A 89 7.243 -9.312 -1.383 1.00 0.00 C ATOM 1273 C GLN A 89 6.214 -9.691 -0.323 1.00 0.00 C ATOM 1274 O GLN A 89 6.377 -10.683 0.388 1.00 0.00 O ATOM 1275 CB GLN A 89 7.113 -10.240 -2.592 1.00 0.00 C ATOM 1276 CG GLN A 89 7.264 -11.713 -2.248 1.00 0.00 C ATOM 1277 CD GLN A 89 6.905 -12.623 -3.406 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.671 -13.517 -3.768 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.736 -12.400 -3.993 1.00 0.00 N ATOM 0 H GLN A 89 8.714 -10.039 -0.078 1.00 0.00 H new ATOM 0 HA GLN A 89 7.051 -8.287 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.140 -10.082 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.868 -9.969 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.292 -11.907 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.629 -11.950 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.133 -11.648 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.440 -12.981 -4.778 1.00 0.00 H new ATOM 1288 N VAL A 90 5.154 -8.895 -0.222 1.00 0.00 N ATOM 1289 CA VAL A 90 4.098 -9.148 0.750 1.00 0.00 C ATOM 1290 C VAL A 90 2.724 -8.856 0.158 1.00 0.00 C ATOM 1291 O VAL A 90 2.605 -8.145 -0.840 1.00 0.00 O ATOM 1292 CB VAL A 90 4.289 -8.297 2.020 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.588 -8.666 2.720 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.261 -6.815 1.677 1.00 0.00 C ATOM 0 H VAL A 90 5.004 -8.069 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 90 4.159 -10.203 1.016 1.00 0.00 H new ATOM 0 HB VAL A 90 3.465 -8.504 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.706 -8.055 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.564 -9.719 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.427 -8.489 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.397 -6.229 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.064 -6.589 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.302 -6.564 1.224 1.00 0.00 H new ATOM 1304 N SER A 91 1.688 -9.409 0.780 1.00 0.00 N ATOM 1305 CA SER A 91 0.321 -9.210 0.312 1.00 0.00 C ATOM 1306 C SER A 91 -0.659 -9.214 1.482 1.00 0.00 C ATOM 1307 O SER A 91 -0.661 -10.133 2.301 1.00 0.00 O ATOM 1308 CB SER A 91 -0.061 -10.300 -0.691 1.00 0.00 C ATOM 1309 OG SER A 91 0.076 -11.590 -0.120 1.00 0.00 O ATOM 0 H SER A 91 1.769 -9.998 1.609 1.00 0.00 H new ATOM 0 HA SER A 91 0.269 -8.239 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.090 -10.152 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.571 -10.222 -1.576 1.00 0.00 H new ATOM 0 HG SER A 91 -0.190 -11.560 0.823 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.491 -8.181 1.551 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.477 -8.063 2.620 1.00 0.00 C ATOM 1317 C CYS A 92 -3.894 -8.066 2.056 1.00 0.00 C ATOM 1318 O CYS A 92 -4.182 -7.387 1.071 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.237 -6.784 3.424 1.00 0.00 C ATOM 1320 SG CYS A 92 -3.700 -6.177 4.298 1.00 0.00 S ATOM 0 H CYS A 92 -1.503 -7.413 0.880 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.367 -8.924 3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.443 -6.966 4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.880 -6.005 2.750 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.988 -4.979 3.883 1.00 0.00 H new ATOM 1326 N SER A 93 -4.774 -8.837 2.687 1.00 0.00 N ATOM 1327 CA SER A 93 -6.161 -8.933 2.244 1.00 0.00 C ATOM 1328 C SER A 93 -7.110 -8.404 3.315 1.00 0.00 C ATOM 1329 O SER A 93 -6.748 -8.303 4.487 1.00 0.00 O ATOM 1330 CB SER A 93 -6.511 -10.383 1.907 1.00 0.00 C ATOM 1331 OG SER A 93 -6.268 -11.237 3.011 1.00 0.00 O ATOM 0 H SER A 93 -4.552 -9.404 3.506 1.00 0.00 H new ATOM 0 HA SER A 93 -6.275 -8.322 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.559 -10.449 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.922 -10.713 1.052 1.00 0.00 H new ATOM 0 HG SER A 93 -6.501 -12.158 2.770 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.328 -8.068 2.903 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.332 -7.552 3.826 1.00 0.00 C ATOM 1339 C ALA A 94 -10.741 -7.876 3.342 1.00 0.00 C ATOM 1340 O ALA A 94 -10.970 -8.058 2.146 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.164 -6.050 4.001 1.00 0.00 C ATOM 0 H ALA A 94 -8.644 -8.144 1.936 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.187 -8.038 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.920 -5.677 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.172 -5.839 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.280 -5.556 3.036 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.681 -7.947 4.278 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.068 -8.250 3.946 1.00 0.00 C ATOM 1349 C TRP A 95 -13.947 -7.014 4.099 1.00 0.00 C ATOM 1350 O TRP A 95 -14.237 -6.580 5.214 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.592 -9.377 4.837 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.037 -9.698 4.601 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.107 -8.881 4.834 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.571 -10.923 4.087 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.273 -9.525 4.496 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.971 -10.779 4.035 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.002 -12.127 3.665 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.807 -11.794 3.578 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.833 -13.134 3.212 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.223 -12.962 3.171 1.00 0.00 C ATOM 0 H TRP A 95 -11.508 -7.799 5.272 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.105 -8.572 2.905 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.996 -10.273 4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.455 -9.098 5.882 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.045 -7.877 5.226 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.211 -9.133 4.576 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.932 -12.268 3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.879 -11.664 3.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.404 -14.069 2.884 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.846 -13.768 2.811 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.369 -6.449 2.972 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.216 -5.263 2.981 1.00 0.00 C ATOM 1373 C VAL A 96 -16.671 -5.624 2.701 1.00 0.00 C ATOM 1374 O VAL A 96 -16.962 -6.454 1.840 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.747 -4.229 1.940 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.666 -3.017 1.938 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.308 -3.816 2.212 1.00 0.00 C ATOM 0 H VAL A 96 -14.138 -6.794 2.041 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.137 -4.827 3.977 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.790 -4.688 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.318 -2.298 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.681 -3.330 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.659 -2.553 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.992 -3.085 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.238 -3.375 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.662 -4.692 2.157 1.00 0.00 H new ATOM 1387 N THR A 97 -17.583 -4.995 3.436 1.00 0.00 N ATOM 1388 CA THR A 97 -19.008 -5.250 3.268 1.00 0.00 C ATOM 1389 C THR A 97 -19.764 -3.963 2.959 1.00 0.00 C ATOM 1390 O THR A 97 -19.546 -2.934 3.597 1.00 0.00 O ATOM 1391 CB THR A 97 -19.615 -5.899 4.526 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.937 -7.125 4.820 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.100 -6.168 4.334 1.00 0.00 C ATOM 0 H THR A 97 -17.360 -4.305 4.153 1.00 0.00 H new ATOM 0 HA THR A 97 -19.109 -5.938 2.429 1.00 0.00 H new ATOM 0 HB THR A 97 -19.493 -5.207 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.328 -7.531 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.506 -6.626 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.618 -5.229 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.241 -6.842 3.489 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.656 -4.028 1.975 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.447 -2.868 1.582 1.00 0.00 C ATOM 1403 C VAL A 98 -22.927 -3.087 1.873 1.00 0.00 C ATOM 1404 O VAL A 98 -23.564 -3.961 1.283 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.271 -2.549 0.086 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -21.929 -1.222 -0.259 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -19.796 -2.535 -0.286 1.00 0.00 C ATOM 0 H VAL A 98 -20.849 -4.872 1.436 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.085 -2.025 2.171 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.761 -3.331 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.794 -1.014 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -22.994 -1.274 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.471 -0.426 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.690 -2.308 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.280 -1.775 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.359 -3.512 -0.079 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.470 -2.289 2.787 1.00 0.00 N ATOM 1418 CA HIS A 99 -24.877 -2.395 3.156 1.00 0.00 C ATOM 1419 C HIS A 99 -25.774 -1.886 2.032 1.00 0.00 C ATOM 1420 O HIS A 99 -26.825 -1.296 2.282 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.151 -1.608 4.438 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.311 -2.044 5.600 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.371 -3.313 6.137 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.387 -1.373 6.325 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.522 -3.402 7.145 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -22.911 -2.239 7.279 1.00 0.00 N ATOM 0 H HIS A 99 -22.957 -1.562 3.286 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.103 -3.447 3.329 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -24.974 -0.549 4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.203 -1.713 4.701 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -24.976 -4.065 5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.081 -0.347 6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.356 -4.277 7.756 1.00 0.00 H new TER 1435 HIS A 99