USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 76 MET CE :methyl 159:sc= -0.663 (180deg=-1.07) USER MOD Set 1.2: A 91 THR OG1 : rot -170:sc= 0.0176 USER MOD Set 2.1: A 73 GLN : amide:sc= -2.62! C(o=-1.4!,f=-6.2!) USER MOD Set 2.2: A 93 TYR OH : rot -21:sc= 1.21 USER MOD Single : A 3 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.43) USER MOD Single : A 5 THR OG1 : rot -178:sc= 1.26 USER MOD Single : A 9 CYS SG : rot 90:sc= 0.493 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.145 (180deg=-0.206) USER MOD Single : A 12 ASN : amide:sc= -0.684 K(o=-0.68,f=-0.014) USER MOD Single : A 13 MET CE :methyl -160:sc= -4.81! (180deg=-7.31!) USER MOD Single : A 25 TYR OH : rot 30:sc=-0.000333 USER MOD Single : A 36 CYS SG : rot -36:sc= -1.29! USER MOD Single : A 37 SER OG : rot -24:sc= 0.773 USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 0.122 (180deg=-2.17!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 0.671 (180deg=0.515) USER MOD Single : A 44 SER OG : rot 33:sc= 1.04 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.041 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 167:sc= 0.475 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 80 THR OG1 : rot 49:sc= 1.08 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.17) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 173:sc= -0.731 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0594 USER MOD Single : A 99 TYR OH : rot 66:sc= 1.26 USER MOD Single : A 100 HIS : no HD1:sc= -0.318 K(o=-0.32,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.280 14.569 1.883 1.00 0.00 N ATOM 16 CA HIS A 3 11.509 15.751 1.543 1.00 0.00 C ATOM 17 C HIS A 3 10.024 15.374 1.460 1.00 0.00 C ATOM 18 O HIS A 3 9.701 14.193 1.308 1.00 0.00 O ATOM 19 CB HIS A 3 12.050 16.363 0.238 1.00 0.00 C ATOM 20 CG HIS A 3 12.024 15.508 -1.013 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.765 14.371 -1.258 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.397 15.844 -2.184 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.571 14.024 -2.540 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.755 14.900 -3.158 1.00 0.00 N ATOM 0 HA HIS A 3 11.607 16.516 2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.482 17.271 0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.082 16.666 0.414 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.741 16.689 -2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.010 13.158 -3.013 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.458 14.881 -4.134 1.00 0.00 H new ATOM 32 N PRO A 4 9.103 16.345 1.596 1.00 0.00 N ATOM 33 CA PRO A 4 7.693 16.148 1.290 1.00 0.00 C ATOM 34 C PRO A 4 7.559 15.914 -0.210 1.00 0.00 C ATOM 35 O PRO A 4 8.087 16.707 -0.994 1.00 0.00 O ATOM 36 CB PRO A 4 6.976 17.445 1.715 1.00 0.00 C ATOM 37 CG PRO A 4 8.094 18.491 1.715 1.00 0.00 C ATOM 38 CD PRO A 4 9.345 17.702 2.058 1.00 0.00 C ATOM 0 HA PRO A 4 7.261 15.292 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.180 17.709 1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.519 17.346 2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.184 18.977 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.905 19.276 2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.221 18.129 1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.536 17.721 3.131 1.00 0.00 H new ATOM 46 N THR A 5 6.796 14.893 -0.578 1.00 0.00 N ATOM 47 CA THR A 5 6.509 14.472 -1.944 1.00 0.00 C ATOM 48 C THR A 5 5.017 14.143 -2.000 1.00 0.00 C ATOM 49 O THR A 5 4.371 14.090 -0.950 1.00 0.00 O ATOM 50 CB THR A 5 7.392 13.261 -2.309 1.00 0.00 C ATOM 51 OG1 THR A 5 7.167 12.222 -1.376 1.00 0.00 O ATOM 52 CG2 THR A 5 8.878 13.623 -2.295 1.00 0.00 C ATOM 0 H THR A 5 6.333 14.300 0.111 1.00 0.00 H new ATOM 0 HA THR A 5 6.735 15.252 -2.671 1.00 0.00 H new ATOM 0 HB THR A 5 7.125 12.941 -3.316 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.754 11.465 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.469 12.745 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.066 14.416 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.160 13.966 -1.299 1.00 0.00 H new ATOM 60 N GLU A 6 4.457 13.942 -3.193 1.00 0.00 N ATOM 61 CA GLU A 6 3.030 13.637 -3.364 1.00 0.00 C ATOM 62 C GLU A 6 2.705 12.180 -2.975 1.00 0.00 C ATOM 63 O GLU A 6 1.537 11.824 -2.829 1.00 0.00 O ATOM 64 CB GLU A 6 2.553 14.007 -4.794 1.00 0.00 C ATOM 65 CG GLU A 6 3.082 15.398 -5.195 1.00 0.00 C ATOM 66 CD GLU A 6 2.461 16.181 -6.365 1.00 0.00 C ATOM 67 OE1 GLU A 6 1.689 15.643 -7.184 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.721 17.408 -6.449 1.00 0.00 O ATOM 0 H GLU A 6 4.977 13.985 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 6 2.463 14.261 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.903 13.259 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.464 14.000 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.008 16.033 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.143 15.283 -5.417 1.00 0.00 H new ATOM 75 N VAL A 7 3.724 11.341 -2.763 1.00 0.00 N ATOM 76 CA VAL A 7 3.608 9.895 -2.576 1.00 0.00 C ATOM 77 C VAL A 7 3.703 9.550 -1.087 1.00 0.00 C ATOM 78 O VAL A 7 4.782 9.593 -0.479 1.00 0.00 O ATOM 79 CB VAL A 7 4.668 9.157 -3.420 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.460 7.634 -3.375 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.638 9.622 -4.882 1.00 0.00 C ATOM 0 H VAL A 7 4.690 11.666 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 7 2.632 9.559 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 7 5.638 9.398 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.223 7.144 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.536 7.287 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.473 7.390 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.396 9.084 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.655 9.421 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.842 10.692 -4.928 1.00 0.00 H new ATOM 91 N LEU A 8 2.567 9.185 -0.488 1.00 0.00 N ATOM 92 CA LEU A 8 2.492 8.779 0.906 1.00 0.00 C ATOM 93 C LEU A 8 2.665 7.263 0.995 1.00 0.00 C ATOM 94 O LEU A 8 1.840 6.497 0.491 1.00 0.00 O ATOM 95 CB LEU A 8 1.181 9.284 1.539 1.00 0.00 C ATOM 96 CG LEU A 8 1.368 9.718 3.003 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.237 10.983 3.115 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.005 10.017 3.626 1.00 0.00 C ATOM 0 H LEU A 8 1.667 9.165 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 8 3.299 9.232 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.801 10.125 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.429 8.496 1.489 1.00 0.00 H new ATOM 0 HG LEU A 8 1.866 8.902 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.346 11.258 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.220 10.788 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.761 11.800 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.139 10.324 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.481 10.818 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.616 9.122 3.590 1.00 0.00 H new ATOM 110 N CYS A 9 3.774 6.824 1.591 1.00 0.00 N ATOM 111 CA CYS A 9 4.054 5.418 1.836 1.00 0.00 C ATOM 112 C CYS A 9 3.384 5.020 3.145 1.00 0.00 C ATOM 113 O CYS A 9 3.520 5.724 4.156 1.00 0.00 O ATOM 114 CB CYS A 9 5.571 5.209 1.926 1.00 0.00 C ATOM 115 SG CYS A 9 5.966 3.433 1.998 1.00 0.00 S ATOM 0 H CYS A 9 4.511 7.448 1.920 1.00 0.00 H new ATOM 0 HA CYS A 9 3.668 4.802 1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.058 5.661 1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.961 5.711 2.811 1.00 0.00 H new ATOM 0 HG CYS A 9 6.121 2.974 0.792 1.00 0.00 H new ATOM 121 N LEU A 10 2.701 3.874 3.135 1.00 0.00 N ATOM 122 CA LEU A 10 1.890 3.394 4.243 1.00 0.00 C ATOM 123 C LEU A 10 2.303 1.968 4.597 1.00 0.00 C ATOM 124 O LEU A 10 2.518 1.134 3.708 1.00 0.00 O ATOM 125 CB LEU A 10 0.415 3.385 3.837 1.00 0.00 C ATOM 126 CG LEU A 10 -0.119 4.714 3.290 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.579 4.517 2.909 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.014 5.849 4.308 1.00 0.00 C ATOM 0 H LEU A 10 2.700 3.242 2.334 1.00 0.00 H new ATOM 0 HA LEU A 10 2.037 4.052 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.267 2.614 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.182 3.101 4.703 1.00 0.00 H new ATOM 0 HG LEU A 10 0.486 4.997 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.982 5.451 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.655 3.741 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.148 4.218 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.405 6.767 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.592 5.595 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.030 5.995 4.584 1.00 0.00 H new ATOM 140 N MET A 11 2.356 1.667 5.894 1.00 0.00 N ATOM 141 CA MET A 11 2.666 0.334 6.410 1.00 0.00 C ATOM 142 C MET A 11 1.548 -0.115 7.348 1.00 0.00 C ATOM 143 O MET A 11 0.811 0.723 7.881 1.00 0.00 O ATOM 144 CB MET A 11 4.015 0.345 7.142 1.00 0.00 C ATOM 145 CG MET A 11 5.205 0.715 6.244 1.00 0.00 C ATOM 146 SD MET A 11 6.348 1.896 7.003 1.00 0.00 S ATOM 147 CE MET A 11 5.332 3.395 6.916 1.00 0.00 C ATOM 0 H MET A 11 2.182 2.354 6.628 1.00 0.00 H new ATOM 0 HA MET A 11 2.739 -0.368 5.580 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.963 1.052 7.970 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.191 -0.640 7.575 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.751 -0.193 5.987 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.828 1.135 5.311 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.702 4.128 7.633 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.385 3.813 5.911 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.297 3.147 7.152 1.00 0.00 H new ATOM 157 N ASN A 12 1.470 -1.427 7.594 1.00 0.00 N ATOM 158 CA ASN A 12 0.466 -2.127 8.400 1.00 0.00 C ATOM 159 C ASN A 12 -0.965 -1.959 7.854 1.00 0.00 C ATOM 160 O ASN A 12 -1.949 -1.952 8.602 1.00 0.00 O ATOM 161 CB ASN A 12 0.548 -1.728 9.875 1.00 0.00 C ATOM 162 CG ASN A 12 1.925 -1.683 10.498 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.825 -2.458 10.178 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.101 -0.750 11.418 1.00 0.00 N ATOM 0 H ASN A 12 2.157 -2.074 7.207 1.00 0.00 H new ATOM 0 HA ASN A 12 0.704 -3.188 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.094 -0.743 9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.061 -2.426 10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.003 -0.658 11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.335 -0.122 11.661 1.00 0.00 H new ATOM 171 N MET A 13 -1.096 -1.812 6.536 1.00 0.00 N ATOM 172 CA MET A 13 -2.369 -1.979 5.852 1.00 0.00 C ATOM 173 C MET A 13 -2.574 -3.487 5.756 1.00 0.00 C ATOM 174 O MET A 13 -3.226 -4.093 6.605 1.00 0.00 O ATOM 175 CB MET A 13 -2.342 -1.278 4.471 1.00 0.00 C ATOM 176 CG MET A 13 -3.358 -0.156 4.335 1.00 0.00 C ATOM 177 SD MET A 13 -2.643 1.499 4.523 1.00 0.00 S ATOM 178 CE MET A 13 -1.733 1.302 6.066 1.00 0.00 C ATOM 0 H MET A 13 -0.321 -1.574 5.917 1.00 0.00 H new ATOM 0 HA MET A 13 -3.201 -1.516 6.383 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.344 -0.875 4.297 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.526 -2.019 3.694 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.836 -0.227 3.358 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.139 -0.292 5.083 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.539 2.282 6.502 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.322 0.706 6.762 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.787 0.799 5.869 1.00 0.00 H new ATOM 188 N VAL A 14 -1.908 -4.100 4.786 1.00 0.00 N ATOM 189 CA VAL A 14 -2.170 -5.447 4.316 1.00 0.00 C ATOM 190 C VAL A 14 -1.125 -6.406 4.885 1.00 0.00 C ATOM 191 O VAL A 14 -0.158 -5.970 5.534 1.00 0.00 O ATOM 192 CB VAL A 14 -2.244 -5.418 2.768 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.518 -4.688 2.306 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.007 -4.755 2.125 1.00 0.00 C ATOM 0 H VAL A 14 -1.140 -3.651 4.287 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.130 -5.823 4.671 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.269 -6.456 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.556 -4.676 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.395 -5.206 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.507 -3.664 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.113 -4.762 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.923 -3.726 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.111 -5.308 2.406 1.00 0.00 H new ATOM 204 N LEU A 15 -1.310 -7.714 4.710 1.00 0.00 N ATOM 205 CA LEU A 15 -0.389 -8.740 5.183 1.00 0.00 C ATOM 206 C LEU A 15 0.183 -9.503 3.985 1.00 0.00 C ATOM 207 O LEU A 15 -0.451 -9.569 2.927 1.00 0.00 O ATOM 208 CB LEU A 15 -1.141 -9.714 6.106 1.00 0.00 C ATOM 209 CG LEU A 15 -1.642 -9.187 7.460 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.499 -8.623 8.320 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.793 -8.180 7.374 1.00 0.00 C ATOM 0 H LEU A 15 -2.122 -8.095 4.225 1.00 0.00 H new ATOM 0 HA LEU A 15 0.426 -8.273 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.002 -10.096 5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.485 -10.563 6.300 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.054 -10.070 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.900 -8.262 9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.233 -9.407 8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.019 -7.799 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.077 -7.866 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.474 -7.311 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.648 -8.646 6.884 1.00 0.00 H new ATOM 223 N PRO A 16 1.331 -10.182 4.145 1.00 0.00 N ATOM 224 CA PRO A 16 1.934 -10.970 3.074 1.00 0.00 C ATOM 225 C PRO A 16 1.152 -12.250 2.737 1.00 0.00 C ATOM 226 O PRO A 16 1.567 -12.974 1.837 1.00 0.00 O ATOM 227 CB PRO A 16 3.356 -11.301 3.558 1.00 0.00 C ATOM 228 CG PRO A 16 3.201 -11.323 5.077 1.00 0.00 C ATOM 229 CD PRO A 16 2.205 -10.190 5.317 1.00 0.00 C ATOM 0 HA PRO A 16 1.931 -10.400 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.701 -12.261 3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.078 -10.550 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.822 -12.281 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.149 -11.146 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.634 -10.356 6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.717 -9.235 5.431 1.00 0.00 H new ATOM 237 N GLU A 17 -0.011 -12.491 3.337 1.00 0.00 N ATOM 238 CA GLU A 17 -0.830 -13.690 3.195 1.00 0.00 C ATOM 239 C GLU A 17 -2.292 -13.391 2.839 1.00 0.00 C ATOM 240 O GLU A 17 -3.153 -14.255 2.986 1.00 0.00 O ATOM 241 CB GLU A 17 -0.696 -14.488 4.490 1.00 0.00 C ATOM 242 CG GLU A 17 -1.112 -13.717 5.757 1.00 0.00 C ATOM 243 CD GLU A 17 -0.863 -14.491 7.047 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.170 -15.187 7.151 1.00 0.00 O ATOM 245 OE2 GLU A 17 -1.602 -14.305 8.039 1.00 0.00 O ATOM 0 H GLU A 17 -0.431 -11.813 3.973 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.470 -14.276 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.304 -15.389 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.340 -14.810 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.565 -12.775 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.171 -13.468 5.690 1.00 0.00 H new ATOM 252 N GLU A 18 -2.601 -12.167 2.412 1.00 0.00 N ATOM 253 CA GLU A 18 -3.973 -11.710 2.189 1.00 0.00 C ATOM 254 C GLU A 18 -4.115 -11.005 0.827 1.00 0.00 C ATOM 255 O GLU A 18 -5.221 -10.619 0.468 1.00 0.00 O ATOM 256 CB GLU A 18 -4.384 -10.761 3.329 1.00 0.00 C ATOM 257 CG GLU A 18 -4.247 -11.267 4.778 1.00 0.00 C ATOM 258 CD GLU A 18 -5.362 -12.182 5.292 1.00 0.00 C ATOM 259 OE1 GLU A 18 -6.531 -11.717 5.323 1.00 0.00 O ATOM 260 OE2 GLU A 18 -5.050 -13.279 5.808 1.00 0.00 O ATOM 0 H GLU A 18 -1.898 -11.457 2.209 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.632 -12.578 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.791 -9.851 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.425 -10.480 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.301 -11.801 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.186 -10.401 5.437 1.00 0.00 H new ATOM 267 N LEU A 19 -3.029 -10.809 0.067 1.00 0.00 N ATOM 268 CA LEU A 19 -3.012 -10.126 -1.244 1.00 0.00 C ATOM 269 C LEU A 19 -3.024 -11.161 -2.370 1.00 0.00 C ATOM 270 O LEU A 19 -2.161 -11.159 -3.254 1.00 0.00 O ATOM 271 CB LEU A 19 -1.788 -9.205 -1.412 1.00 0.00 C ATOM 272 CG LEU A 19 -1.676 -8.051 -0.420 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.325 -7.359 -0.654 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.851 -7.086 -0.677 1.00 0.00 C ATOM 0 H LEU A 19 -2.104 -11.131 0.353 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.905 -9.503 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.887 -9.814 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.806 -8.791 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.723 -8.393 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.217 -6.528 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.482 -8.074 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.281 -6.984 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.795 -6.250 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.797 -6.710 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.794 -7.614 -0.534 1.00 0.00 H new ATOM 286 N LEU A 20 -3.968 -12.093 -2.317 1.00 0.00 N ATOM 287 CA LEU A 20 -4.079 -13.165 -3.294 1.00 0.00 C ATOM 288 C LEU A 20 -5.400 -13.006 -4.029 1.00 0.00 C ATOM 289 O LEU A 20 -5.399 -12.915 -5.255 1.00 0.00 O ATOM 290 CB LEU A 20 -3.967 -14.550 -2.638 1.00 0.00 C ATOM 291 CG LEU A 20 -2.675 -14.917 -1.877 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.393 -14.481 -2.592 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.644 -14.424 -0.425 1.00 0.00 C ATOM 0 H LEU A 20 -4.682 -12.125 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.252 -13.096 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.799 -14.652 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.112 -15.296 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.701 -16.007 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.527 -14.773 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.340 -14.961 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.397 -13.398 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.704 -14.722 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.729 -13.337 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.476 -14.862 0.126 1.00 0.00 H new ATOM 305 N ASP A 21 -6.502 -12.948 -3.278 1.00 0.00 N ATOM 306 CA ASP A 21 -7.876 -12.822 -3.746 1.00 0.00 C ATOM 307 C ASP A 21 -8.028 -11.554 -4.577 1.00 0.00 C ATOM 308 O ASP A 21 -8.108 -10.447 -4.036 1.00 0.00 O ATOM 309 CB ASP A 21 -8.843 -12.832 -2.550 1.00 0.00 C ATOM 310 CG ASP A 21 -9.018 -14.246 -2.021 1.00 0.00 C ATOM 311 OD1 ASP A 21 -9.794 -15.014 -2.638 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.340 -14.622 -1.036 1.00 0.00 O ATOM 0 H ASP A 21 -6.450 -12.991 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.123 -13.672 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.460 -12.186 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.809 -12.428 -2.852 1.00 0.00 H new ATOM 317 N ASP A 22 -8.023 -11.712 -5.900 1.00 0.00 N ATOM 318 CA ASP A 22 -7.854 -10.615 -6.853 1.00 0.00 C ATOM 319 C ASP A 22 -9.171 -9.915 -7.203 1.00 0.00 C ATOM 320 O ASP A 22 -9.201 -8.898 -7.896 1.00 0.00 O ATOM 321 CB ASP A 22 -7.147 -11.151 -8.109 1.00 0.00 C ATOM 322 CG ASP A 22 -6.288 -10.094 -8.805 1.00 0.00 C ATOM 323 OD1 ASP A 22 -5.785 -9.165 -8.135 1.00 0.00 O ATOM 324 OD2 ASP A 22 -5.994 -10.277 -10.015 1.00 0.00 O ATOM 0 H ASP A 22 -8.138 -12.621 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.238 -9.849 -6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.519 -11.998 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.894 -11.523 -8.810 1.00 0.00 H new ATOM 329 N GLU A 23 -10.275 -10.483 -6.727 1.00 0.00 N ATOM 330 CA GLU A 23 -11.597 -9.878 -6.684 1.00 0.00 C ATOM 331 C GLU A 23 -11.619 -8.873 -5.529 1.00 0.00 C ATOM 332 O GLU A 23 -11.804 -7.679 -5.758 1.00 0.00 O ATOM 333 CB GLU A 23 -12.635 -11.007 -6.539 1.00 0.00 C ATOM 334 CG GLU A 23 -12.667 -11.885 -7.806 1.00 0.00 C ATOM 335 CD GLU A 23 -13.505 -13.172 -7.714 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.294 -13.368 -6.765 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.272 -14.080 -8.555 1.00 0.00 O ATOM 0 H GLU A 23 -10.268 -11.427 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.842 -9.331 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.393 -11.621 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.622 -10.580 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.050 -11.284 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.643 -12.159 -8.060 1.00 0.00 H new ATOM 344 N GLU A 24 -11.374 -9.344 -4.301 1.00 0.00 N ATOM 345 CA GLU A 24 -11.475 -8.538 -3.092 1.00 0.00 C ATOM 346 C GLU A 24 -10.450 -7.392 -3.077 1.00 0.00 C ATOM 347 O GLU A 24 -10.768 -6.305 -2.591 1.00 0.00 O ATOM 348 CB GLU A 24 -11.328 -9.476 -1.883 1.00 0.00 C ATOM 349 CG GLU A 24 -12.083 -8.956 -0.658 1.00 0.00 C ATOM 350 CD GLU A 24 -12.121 -10.005 0.454 1.00 0.00 C ATOM 351 OE1 GLU A 24 -11.035 -10.505 0.833 1.00 0.00 O ATOM 352 OE2 GLU A 24 -13.229 -10.293 0.975 1.00 0.00 O ATOM 0 H GLU A 24 -11.097 -10.309 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.448 -8.049 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.701 -10.466 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.272 -9.588 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.603 -8.049 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.100 -8.686 -0.942 1.00 0.00 H new ATOM 359 N TYR A 25 -9.247 -7.604 -3.639 1.00 0.00 N ATOM 360 CA TYR A 25 -8.262 -6.567 -3.918 1.00 0.00 C ATOM 361 C TYR A 25 -8.912 -5.330 -4.563 1.00 0.00 C ATOM 362 O TYR A 25 -8.610 -4.203 -4.166 1.00 0.00 O ATOM 363 CB TYR A 25 -7.196 -7.169 -4.853 1.00 0.00 C ATOM 364 CG TYR A 25 -6.103 -6.214 -5.296 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.328 -5.348 -6.384 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.853 -6.210 -4.646 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.346 -4.427 -6.781 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.851 -5.313 -5.062 1.00 0.00 C ATOM 369 CZ TYR A 25 -4.106 -4.395 -6.110 1.00 0.00 C ATOM 370 OH TYR A 25 -3.161 -3.485 -6.484 1.00 0.00 O ATOM 0 H TYR A 25 -8.932 -8.534 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.808 -6.233 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.732 -8.016 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.694 -7.560 -5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.266 -5.393 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.664 -6.893 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.539 -3.746 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.884 -5.325 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.601 -2.682 -6.834 1.00 0.00 H new ATOM 380 N GLU A 26 -9.788 -5.511 -5.560 1.00 0.00 N ATOM 381 CA GLU A 26 -10.263 -4.423 -6.403 1.00 0.00 C ATOM 382 C GLU A 26 -11.356 -3.612 -5.727 1.00 0.00 C ATOM 383 O GLU A 26 -11.570 -2.455 -6.095 1.00 0.00 O ATOM 384 CB GLU A 26 -10.779 -5.009 -7.734 1.00 0.00 C ATOM 385 CG GLU A 26 -10.144 -4.209 -8.869 1.00 0.00 C ATOM 386 CD GLU A 26 -10.532 -4.661 -10.285 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.737 -4.752 -10.615 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.612 -4.858 -11.115 1.00 0.00 O ATOM 0 H GLU A 26 -10.184 -6.420 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.431 -3.744 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.516 -6.064 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.866 -4.947 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.419 -3.161 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.060 -4.267 -8.771 1.00 0.00 H new ATOM 395 N GLU A 27 -12.035 -4.227 -4.765 1.00 0.00 N ATOM 396 CA GLU A 27 -12.953 -3.546 -3.872 1.00 0.00 C ATOM 397 C GLU A 27 -12.156 -2.677 -2.901 1.00 0.00 C ATOM 398 O GLU A 27 -12.451 -1.493 -2.754 1.00 0.00 O ATOM 399 CB GLU A 27 -13.820 -4.553 -3.105 1.00 0.00 C ATOM 400 CG GLU A 27 -14.553 -5.581 -3.986 1.00 0.00 C ATOM 401 CD GLU A 27 -15.609 -6.376 -3.198 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.558 -6.379 -1.944 1.00 0.00 O ATOM 403 OE2 GLU A 27 -16.510 -7.004 -3.813 1.00 0.00 O ATOM 0 H GLU A 27 -11.959 -5.228 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.620 -2.916 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.188 -5.089 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.559 -4.004 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.034 -5.066 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.827 -6.271 -4.416 1.00 0.00 H new ATOM 410 N ILE A 28 -11.137 -3.251 -2.253 1.00 0.00 N ATOM 411 CA ILE A 28 -10.373 -2.604 -1.190 1.00 0.00 C ATOM 412 C ILE A 28 -9.695 -1.330 -1.695 1.00 0.00 C ATOM 413 O ILE A 28 -9.667 -0.336 -0.969 1.00 0.00 O ATOM 414 CB ILE A 28 -9.383 -3.619 -0.569 1.00 0.00 C ATOM 415 CG1 ILE A 28 -10.180 -4.658 0.252 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.351 -2.936 0.350 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.375 -5.911 0.602 1.00 0.00 C ATOM 0 H ILE A 28 -10.817 -4.197 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.049 -2.283 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.838 -4.097 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.528 -4.191 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.066 -4.951 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.678 -3.687 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.776 -2.210 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.869 -2.427 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.998 -6.595 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.049 -6.402 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.503 -5.630 1.193 1.00 0.00 H new ATOM 429 N VAL A 29 -9.140 -1.333 -2.908 1.00 0.00 N ATOM 430 CA VAL A 29 -8.507 -0.132 -3.454 1.00 0.00 C ATOM 431 C VAL A 29 -9.519 1.020 -3.496 1.00 0.00 C ATOM 432 O VAL A 29 -9.162 2.160 -3.192 1.00 0.00 O ATOM 433 CB VAL A 29 -7.905 -0.441 -4.836 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.350 0.813 -5.529 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.738 -1.433 -4.730 1.00 0.00 C ATOM 0 H VAL A 29 -9.116 -2.145 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.688 0.184 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.727 -0.859 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.937 0.539 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.152 1.538 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.566 1.253 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.336 -1.629 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.956 -1.009 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.092 -2.366 -4.291 1.00 0.00 H new ATOM 445 N GLU A 30 -10.769 0.739 -3.869 1.00 0.00 N ATOM 446 CA GLU A 30 -11.785 1.768 -4.015 1.00 0.00 C ATOM 447 C GLU A 30 -12.341 2.185 -2.657 1.00 0.00 C ATOM 448 O GLU A 30 -12.550 3.378 -2.425 1.00 0.00 O ATOM 449 CB GLU A 30 -12.902 1.280 -4.946 1.00 0.00 C ATOM 450 CG GLU A 30 -12.373 0.991 -6.356 1.00 0.00 C ATOM 451 CD GLU A 30 -12.890 1.973 -7.408 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.020 1.822 -7.917 1.00 0.00 O ATOM 453 OE2 GLU A 30 -12.089 2.844 -7.828 1.00 0.00 O ATOM 0 H GLU A 30 -11.098 -0.204 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.325 2.648 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.352 0.377 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.688 2.033 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.284 1.024 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.657 -0.021 -6.643 1.00 0.00 H new ATOM 460 N ASP A 31 -12.568 1.231 -1.752 1.00 0.00 N ATOM 461 CA ASP A 31 -13.138 1.520 -0.433 1.00 0.00 C ATOM 462 C ASP A 31 -12.153 2.346 0.389 1.00 0.00 C ATOM 463 O ASP A 31 -12.551 3.227 1.148 1.00 0.00 O ATOM 464 CB ASP A 31 -13.544 0.227 0.300 1.00 0.00 C ATOM 465 CG ASP A 31 -14.791 0.443 1.158 1.00 0.00 C ATOM 466 OD1 ASP A 31 -15.851 0.762 0.569 1.00 0.00 O ATOM 467 OD2 ASP A 31 -14.745 0.280 2.400 1.00 0.00 O ATOM 0 H ASP A 31 -12.364 0.244 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.048 2.104 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.733 -0.562 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.721 -0.110 0.930 1.00 0.00 H new ATOM 472 N VAL A 32 -10.851 2.117 0.207 1.00 0.00 N ATOM 473 CA VAL A 32 -9.815 2.872 0.899 1.00 0.00 C ATOM 474 C VAL A 32 -9.645 4.233 0.228 1.00 0.00 C ATOM 475 O VAL A 32 -9.441 5.222 0.926 1.00 0.00 O ATOM 476 CB VAL A 32 -8.509 2.050 0.922 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.309 2.855 1.440 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.676 0.821 1.828 1.00 0.00 C ATOM 0 H VAL A 32 -10.489 1.402 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.099 3.056 1.935 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.313 1.759 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.419 2.226 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.146 3.720 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.508 3.191 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.749 0.247 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.912 1.145 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.485 0.197 1.449 1.00 0.00 H new ATOM 488 N ARG A 33 -9.759 4.330 -1.100 1.00 0.00 N ATOM 489 CA ARG A 33 -9.617 5.612 -1.797 1.00 0.00 C ATOM 490 C ARG A 33 -10.644 6.600 -1.264 1.00 0.00 C ATOM 491 O ARG A 33 -10.262 7.749 -1.059 1.00 0.00 O ATOM 492 CB ARG A 33 -9.693 5.402 -3.324 1.00 0.00 C ATOM 493 CG ARG A 33 -9.869 6.697 -4.143 1.00 0.00 C ATOM 494 CD ARG A 33 -9.210 6.639 -5.531 1.00 0.00 C ATOM 495 NE ARG A 33 -9.729 5.547 -6.373 1.00 0.00 N ATOM 496 CZ ARG A 33 -8.999 4.782 -7.198 1.00 0.00 C ATOM 497 NH1 ARG A 33 -7.721 5.035 -7.449 1.00 0.00 N ATOM 498 NH2 ARG A 33 -9.536 3.733 -7.787 1.00 0.00 N ATOM 0 H ARG A 33 -9.949 3.537 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.635 6.044 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.784 4.900 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.525 4.733 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.933 6.900 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.447 7.532 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.368 7.589 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.134 6.517 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.730 5.356 -6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.263 5.833 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.196 4.431 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.514 3.498 -7.617 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.974 3.156 -8.413 1.00 0.00 H new ATOM 512 N ASP A 34 -11.879 6.195 -0.951 1.00 0.00 N ATOM 513 CA ASP A 34 -12.817 7.128 -0.297 1.00 0.00 C ATOM 514 C ASP A 34 -12.296 7.611 1.068 1.00 0.00 C ATOM 515 O ASP A 34 -12.572 8.747 1.456 1.00 0.00 O ATOM 516 CB ASP A 34 -14.188 6.477 -0.087 1.00 0.00 C ATOM 517 CG ASP A 34 -15.122 7.376 0.746 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.436 8.510 0.308 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.525 6.996 1.874 1.00 0.00 O ATOM 0 H ASP A 34 -12.249 5.261 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.908 7.984 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.646 6.273 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.063 5.518 0.415 1.00 0.00 H new ATOM 524 N GLU A 35 -11.564 6.785 1.823 1.00 0.00 N ATOM 525 CA GLU A 35 -11.094 7.162 3.148 1.00 0.00 C ATOM 526 C GLU A 35 -9.953 8.180 3.056 1.00 0.00 C ATOM 527 O GLU A 35 -9.929 9.131 3.839 1.00 0.00 O ATOM 528 CB GLU A 35 -10.733 5.953 4.023 1.00 0.00 C ATOM 529 CG GLU A 35 -9.275 5.490 4.130 1.00 0.00 C ATOM 530 CD GLU A 35 -9.124 4.769 5.471 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.009 5.498 6.493 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.233 3.529 5.547 1.00 0.00 O ATOM 0 H GLU A 35 -11.286 5.848 1.532 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.928 7.647 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.079 6.170 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.316 5.106 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.022 4.824 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.596 6.341 4.073 1.00 0.00 H new ATOM 539 N CYS A 36 -9.013 8.006 2.122 1.00 0.00 N ATOM 540 CA CYS A 36 -7.918 8.926 1.897 1.00 0.00 C ATOM 541 C CYS A 36 -8.289 10.147 1.049 1.00 0.00 C ATOM 542 O CYS A 36 -7.747 11.226 1.292 1.00 0.00 O ATOM 543 CB CYS A 36 -6.642 8.185 1.478 1.00 0.00 C ATOM 544 SG CYS A 36 -6.821 6.682 0.497 1.00 0.00 S ATOM 0 H CYS A 36 -9.001 7.202 1.494 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.680 9.386 2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.022 8.881 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.091 7.930 2.383 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.877 6.032 0.888 1.00 0.00 H new ATOM 550 N SER A 37 -9.274 10.054 0.152 1.00 0.00 N ATOM 551 CA SER A 37 -9.732 11.205 -0.625 1.00 0.00 C ATOM 552 C SER A 37 -10.565 12.183 0.219 1.00 0.00 C ATOM 553 O SER A 37 -10.866 13.276 -0.251 1.00 0.00 O ATOM 554 CB SER A 37 -10.463 10.747 -1.896 1.00 0.00 C ATOM 555 OG SER A 37 -10.151 11.594 -2.983 1.00 0.00 O ATOM 0 H SER A 37 -9.771 9.187 -0.054 1.00 0.00 H new ATOM 0 HA SER A 37 -8.852 11.766 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.181 9.722 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.539 10.749 -1.724 1.00 0.00 H new ATOM 0 HG SER A 37 -9.872 12.471 -2.645 1.00 0.00 H new ATOM 561 N LYS A 38 -10.861 11.890 1.493 1.00 0.00 N ATOM 562 CA LYS A 38 -11.448 12.872 2.417 1.00 0.00 C ATOM 563 C LYS A 38 -10.612 14.148 2.574 1.00 0.00 C ATOM 564 O LYS A 38 -11.147 15.161 3.028 1.00 0.00 O ATOM 565 CB LYS A 38 -11.664 12.210 3.785 1.00 0.00 C ATOM 566 CG LYS A 38 -12.911 11.332 3.744 1.00 0.00 C ATOM 567 CD LYS A 38 -13.052 10.426 4.972 1.00 0.00 C ATOM 568 CE LYS A 38 -14.333 9.585 4.891 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.332 8.624 3.768 1.00 0.00 N ATOM 0 H LYS A 38 -10.702 10.973 1.910 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.398 13.188 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.794 11.609 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.771 12.973 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.793 11.968 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.883 10.715 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.185 9.769 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.068 11.034 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.461 9.040 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.190 10.250 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.244 8.670 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.565 8.863 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.186 7.662 4.135 1.00 0.00 H new ATOM 583 N TYR A 39 -9.330 14.115 2.207 1.00 0.00 N ATOM 584 CA TYR A 39 -8.352 15.168 2.477 1.00 0.00 C ATOM 585 C TYR A 39 -7.745 15.768 1.196 1.00 0.00 C ATOM 586 O TYR A 39 -6.887 16.647 1.282 1.00 0.00 O ATOM 587 CB TYR A 39 -7.275 14.614 3.427 1.00 0.00 C ATOM 588 CG TYR A 39 -7.820 13.944 4.683 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.167 12.579 4.655 1.00 0.00 C ATOM 590 CD2 TYR A 39 -8.022 14.685 5.865 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.772 11.975 5.769 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.611 14.078 6.992 1.00 0.00 C ATOM 593 CZ TYR A 39 -9.018 12.725 6.938 1.00 0.00 C ATOM 594 OH TYR A 39 -9.669 12.139 7.983 1.00 0.00 O ATOM 0 H TYR A 39 -8.931 13.327 1.696 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.865 16.000 2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.665 13.893 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.616 15.430 3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.966 11.993 3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.724 15.722 5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.050 10.932 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.752 14.647 7.899 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.761 12.785 8.714 1.00 0.00 H new ATOM 604 N GLY A 40 -8.165 15.314 0.013 1.00 0.00 N ATOM 605 CA GLY A 40 -7.642 15.741 -1.278 1.00 0.00 C ATOM 606 C GLY A 40 -8.055 14.727 -2.329 1.00 0.00 C ATOM 607 O GLY A 40 -9.137 14.145 -2.208 1.00 0.00 O ATOM 0 H GLY A 40 -8.904 14.616 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.026 16.728 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.556 15.822 -1.238 1.00 0.00 H new ATOM 611 N LEU A 41 -7.216 14.466 -3.334 1.00 0.00 N ATOM 612 CA LEU A 41 -7.514 13.479 -4.363 1.00 0.00 C ATOM 613 C LEU A 41 -6.425 12.431 -4.406 1.00 0.00 C ATOM 614 O LEU A 41 -5.280 12.699 -4.768 1.00 0.00 O ATOM 615 CB LEU A 41 -7.744 14.147 -5.717 1.00 0.00 C ATOM 616 CG LEU A 41 -8.415 13.288 -6.810 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.454 12.331 -7.532 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.603 12.486 -6.276 1.00 0.00 C ATOM 0 H LEU A 41 -6.317 14.932 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.445 12.972 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.356 15.035 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.781 14.488 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.766 14.020 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.002 11.764 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.664 12.905 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.013 11.644 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.039 11.899 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.264 11.818 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.354 13.169 -5.878 1.00 0.00 H new ATOM 630 N VAL A 42 -6.801 11.221 -4.019 1.00 0.00 N ATOM 631 CA VAL A 42 -5.994 10.023 -4.163 1.00 0.00 C ATOM 632 C VAL A 42 -5.927 9.698 -5.652 1.00 0.00 C ATOM 633 O VAL A 42 -6.922 9.287 -6.255 1.00 0.00 O ATOM 634 CB VAL A 42 -6.636 8.885 -3.367 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.920 7.551 -3.627 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.668 9.161 -1.861 1.00 0.00 C ATOM 0 H VAL A 42 -7.705 11.043 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.985 10.166 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.666 8.819 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.399 6.762 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.978 7.308 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.875 7.635 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.134 8.320 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.650 9.292 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.243 10.067 -1.669 1.00 0.00 H new ATOM 646 N LYS A 43 -4.759 9.902 -6.249 1.00 0.00 N ATOM 647 CA LYS A 43 -4.520 9.663 -7.660 1.00 0.00 C ATOM 648 C LYS A 43 -4.569 8.167 -7.948 1.00 0.00 C ATOM 649 O LYS A 43 -5.287 7.731 -8.846 1.00 0.00 O ATOM 650 CB LYS A 43 -3.161 10.274 -7.999 1.00 0.00 C ATOM 651 CG LYS A 43 -2.841 10.230 -9.489 1.00 0.00 C ATOM 652 CD LYS A 43 -1.606 11.095 -9.735 1.00 0.00 C ATOM 653 CE LYS A 43 -0.943 10.740 -11.062 1.00 0.00 C ATOM 654 NZ LYS A 43 0.369 11.398 -11.170 1.00 0.00 N ATOM 0 H LYS A 43 -3.937 10.245 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.287 10.125 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.140 11.309 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.383 9.743 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.657 9.204 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.686 10.599 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.890 12.147 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.894 10.958 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.823 9.659 -11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.582 11.049 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.921 10.949 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.235 12.406 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.879 11.305 -10.269 1.00 0.00 H new ATOM 668 N SER A 44 -3.792 7.368 -7.222 1.00 0.00 N ATOM 669 CA SER A 44 -3.710 5.920 -7.382 1.00 0.00 C ATOM 670 C SER A 44 -3.104 5.296 -6.131 1.00 0.00 C ATOM 671 O SER A 44 -2.550 6.009 -5.296 1.00 0.00 O ATOM 672 CB SER A 44 -2.891 5.610 -8.645 1.00 0.00 C ATOM 673 OG SER A 44 -3.757 5.630 -9.770 1.00 0.00 O ATOM 0 H SER A 44 -3.184 7.722 -6.484 1.00 0.00 H new ATOM 0 HA SER A 44 -4.703 5.487 -7.506 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.095 6.345 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.413 4.635 -8.554 1.00 0.00 H new ATOM 0 HG SER A 44 -4.463 6.295 -9.628 1.00 0.00 H new ATOM 679 N ILE A 45 -3.263 3.981 -5.971 1.00 0.00 N ATOM 680 CA ILE A 45 -2.835 3.240 -4.798 1.00 0.00 C ATOM 681 C ILE A 45 -2.170 1.988 -5.346 1.00 0.00 C ATOM 682 O ILE A 45 -2.800 1.093 -5.915 1.00 0.00 O ATOM 683 CB ILE A 45 -3.974 2.893 -3.827 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.775 4.130 -3.407 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.331 2.248 -2.590 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.147 3.788 -2.816 1.00 0.00 C ATOM 0 H ILE A 45 -3.706 3.392 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.161 3.847 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.675 2.219 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.201 4.695 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.911 4.778 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.108 1.985 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.792 1.348 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.637 2.952 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.663 4.707 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.738 3.249 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.017 3.164 -1.932 1.00 0.00 H new ATOM 698 N GLU A 46 -0.866 1.974 -5.201 1.00 0.00 N ATOM 699 CA GLU A 46 0.034 0.924 -5.661 1.00 0.00 C ATOM 700 C GLU A 46 0.231 -0.100 -4.532 1.00 0.00 C ATOM 701 O GLU A 46 0.652 0.256 -3.429 1.00 0.00 O ATOM 702 CB GLU A 46 1.346 1.567 -6.144 1.00 0.00 C ATOM 703 CG GLU A 46 1.774 1.090 -7.537 1.00 0.00 C ATOM 704 CD GLU A 46 0.707 1.301 -8.619 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.255 2.440 -8.869 1.00 0.00 O ATOM 706 OE2 GLU A 46 0.310 0.298 -9.258 1.00 0.00 O ATOM 0 H GLU A 46 -0.370 2.733 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.384 0.381 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.229 2.651 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.138 1.341 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.682 1.617 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.023 0.030 -7.487 1.00 0.00 H new ATOM 713 N ILE A 47 -0.153 -1.357 -4.782 1.00 0.00 N ATOM 714 CA ILE A 47 -0.188 -2.461 -3.819 1.00 0.00 C ATOM 715 C ILE A 47 0.460 -3.690 -4.486 1.00 0.00 C ATOM 716 O ILE A 47 -0.232 -4.502 -5.103 1.00 0.00 O ATOM 717 CB ILE A 47 -1.620 -2.757 -3.309 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.351 -1.471 -2.879 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.563 -3.798 -2.170 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.754 -1.699 -2.320 1.00 0.00 C ATOM 0 H ILE A 47 -0.464 -1.645 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 47 0.375 -2.185 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.201 -3.177 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.751 -0.962 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.419 -0.802 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.573 -4.003 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.115 -4.719 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.961 -3.407 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.195 -0.742 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.374 -2.178 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.695 -2.340 -1.440 1.00 0.00 H new ATOM 732 N PRO A 48 1.793 -3.833 -4.427 1.00 0.00 N ATOM 733 CA PRO A 48 2.459 -5.022 -4.944 1.00 0.00 C ATOM 734 C PRO A 48 2.009 -6.243 -4.134 1.00 0.00 C ATOM 735 O PRO A 48 1.921 -6.169 -2.904 1.00 0.00 O ATOM 736 CB PRO A 48 3.956 -4.753 -4.799 1.00 0.00 C ATOM 737 CG PRO A 48 4.029 -3.741 -3.658 1.00 0.00 C ATOM 738 CD PRO A 48 2.734 -2.949 -3.764 1.00 0.00 C ATOM 0 HA PRO A 48 2.215 -5.230 -5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.506 -5.664 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.382 -4.352 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.111 -4.238 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.900 -3.093 -3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.371 -2.657 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.880 -2.032 -4.335 1.00 0.00 H new ATOM 746 N ARG A 49 1.716 -7.350 -4.819 1.00 0.00 N ATOM 747 CA ARG A 49 1.292 -8.618 -4.210 1.00 0.00 C ATOM 748 C ARG A 49 2.500 -9.565 -4.094 1.00 0.00 C ATOM 749 O ARG A 49 3.510 -9.315 -4.765 1.00 0.00 O ATOM 750 CB ARG A 49 0.167 -9.211 -5.087 1.00 0.00 C ATOM 751 CG ARG A 49 -1.115 -8.347 -5.081 1.00 0.00 C ATOM 752 CD ARG A 49 -1.554 -7.891 -6.476 1.00 0.00 C ATOM 753 NE ARG A 49 -2.137 -8.988 -7.261 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.378 -8.982 -8.575 1.00 0.00 C ATOM 755 NH1 ARG A 49 -1.943 -7.986 -9.338 1.00 0.00 N ATOM 756 NH2 ARG A 49 -3.062 -9.979 -9.115 1.00 0.00 N ATOM 0 H ARG A 49 1.767 -7.394 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 49 0.908 -8.467 -3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.526 -9.313 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.074 -10.213 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.924 -8.916 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.949 -7.469 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.284 -7.087 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.696 -7.481 -7.009 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.382 -9.838 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.419 -7.216 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.132 -7.991 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.400 -10.742 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.251 -9.984 -10.117 1.00 0.00 H new ATOM 770 N PRO A 50 2.440 -10.659 -3.310 1.00 0.00 N ATOM 771 CA PRO A 50 3.433 -11.728 -3.375 1.00 0.00 C ATOM 772 C PRO A 50 3.362 -12.424 -4.739 1.00 0.00 C ATOM 773 O PRO A 50 2.420 -12.202 -5.512 1.00 0.00 O ATOM 774 CB PRO A 50 3.098 -12.680 -2.222 1.00 0.00 C ATOM 775 CG PRO A 50 1.593 -12.508 -2.060 1.00 0.00 C ATOM 776 CD PRO A 50 1.368 -11.035 -2.402 1.00 0.00 C ATOM 0 HA PRO A 50 4.453 -11.357 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.363 -13.710 -2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.635 -12.415 -1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.039 -13.166 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.269 -12.739 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.394 -10.888 -2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.386 -10.420 -1.502 1.00 0.00 H new ATOM 866 N PRO A 57 10.587 -7.876 -3.380 1.00 0.00 N ATOM 867 CA PRO A 57 10.980 -6.513 -3.062 1.00 0.00 C ATOM 868 C PRO A 57 9.796 -5.592 -3.357 1.00 0.00 C ATOM 869 O PRO A 57 9.312 -5.526 -4.490 1.00 0.00 O ATOM 870 CB PRO A 57 12.213 -6.225 -3.926 1.00 0.00 C ATOM 871 CG PRO A 57 11.994 -7.100 -5.154 1.00 0.00 C ATOM 872 CD PRO A 57 11.298 -8.330 -4.571 1.00 0.00 C ATOM 0 HA PRO A 57 11.238 -6.355 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.281 -5.170 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.136 -6.483 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.377 -6.602 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.935 -7.359 -5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.607 -8.764 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.023 -9.104 -4.319 1.00 0.00 H new ATOM 880 N GLY A 58 9.279 -4.932 -2.327 1.00 0.00 N ATOM 881 CA GLY A 58 8.157 -4.008 -2.361 1.00 0.00 C ATOM 882 C GLY A 58 6.974 -4.508 -1.546 1.00 0.00 C ATOM 883 O GLY A 58 6.059 -3.736 -1.262 1.00 0.00 O ATOM 0 H GLY A 58 9.659 -5.037 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.476 -3.038 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.845 -3.856 -3.394 1.00 0.00 H new ATOM 887 N CYS A 59 6.961 -5.789 -1.181 1.00 0.00 N ATOM 888 CA CYS A 59 5.771 -6.373 -0.605 1.00 0.00 C ATOM 889 C CYS A 59 5.597 -5.948 0.849 1.00 0.00 C ATOM 890 O CYS A 59 6.565 -5.705 1.574 1.00 0.00 O ATOM 891 CB CYS A 59 5.831 -7.892 -0.768 1.00 0.00 C ATOM 892 SG CYS A 59 4.152 -8.577 -0.842 1.00 0.00 S ATOM 0 H CYS A 59 7.752 -6.426 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 59 4.890 -6.007 -1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.377 -8.147 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.376 -8.334 0.066 1.00 0.00 H new ATOM 0 HG CYS A 59 4.216 -9.868 -0.983 1.00 0.00 H new ATOM 898 N GLY A 60 4.334 -5.849 1.253 1.00 0.00 N ATOM 899 CA GLY A 60 3.884 -5.336 2.530 1.00 0.00 C ATOM 900 C GLY A 60 3.686 -3.821 2.518 1.00 0.00 C ATOM 901 O GLY A 60 3.062 -3.284 3.441 1.00 0.00 O ATOM 0 H GLY A 60 3.558 -6.143 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.945 -5.819 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.611 -5.598 3.299 1.00 0.00 H new ATOM 905 N LYS A 61 4.220 -3.089 1.533 1.00 0.00 N ATOM 906 CA LYS A 61 4.086 -1.635 1.470 1.00 0.00 C ATOM 907 C LYS A 61 2.861 -1.296 0.628 1.00 0.00 C ATOM 908 O LYS A 61 2.440 -2.097 -0.214 1.00 0.00 O ATOM 909 CB LYS A 61 5.328 -0.976 0.846 1.00 0.00 C ATOM 910 CG LYS A 61 6.625 -1.111 1.654 1.00 0.00 C ATOM 911 CD LYS A 61 7.336 -2.445 1.395 1.00 0.00 C ATOM 912 CE LYS A 61 8.655 -2.498 2.151 1.00 0.00 C ATOM 913 NZ LYS A 61 9.254 -3.846 2.118 1.00 0.00 N ATOM 0 H LYS A 61 4.754 -3.489 0.762 1.00 0.00 H new ATOM 0 HA LYS A 61 3.980 -1.253 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.489 -1.408 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.120 0.084 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.295 -0.290 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.399 -1.022 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.697 -3.271 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.516 -2.567 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.351 -1.781 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.492 -2.198 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.724 -4.039 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.509 -4.553 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.952 -3.897 1.349 1.00 0.00 H new ATOM 927 N ILE A 62 2.313 -0.103 0.836 1.00 0.00 N ATOM 928 CA ILE A 62 1.365 0.521 -0.070 1.00 0.00 C ATOM 929 C ILE A 62 1.887 1.937 -0.312 1.00 0.00 C ATOM 930 O ILE A 62 2.521 2.528 0.572 1.00 0.00 O ATOM 931 CB ILE A 62 -0.063 0.476 0.520 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.519 -0.999 0.589 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.012 1.341 -0.326 1.00 0.00 C ATOM 934 CD1 ILE A 62 -1.996 -1.201 0.927 1.00 0.00 C ATOM 0 H ILE A 62 2.522 0.466 1.657 1.00 0.00 H new ATOM 0 HA ILE A 62 1.286 -0.004 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.076 0.889 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.313 -1.473 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.084 -1.516 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.015 1.302 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.659 2.372 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.035 0.963 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.221 -2.267 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.210 -0.762 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.612 -0.718 0.168 1.00 0.00 H new ATOM 946 N PHE A 63 1.615 2.473 -1.498 1.00 0.00 N ATOM 947 CA PHE A 63 1.990 3.812 -1.915 1.00 0.00 C ATOM 948 C PHE A 63 0.723 4.454 -2.453 1.00 0.00 C ATOM 949 O PHE A 63 0.155 3.964 -3.432 1.00 0.00 O ATOM 950 CB PHE A 63 3.093 3.749 -2.981 1.00 0.00 C ATOM 951 CG PHE A 63 4.226 2.816 -2.616 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.092 1.435 -2.864 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.363 3.307 -1.950 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.066 0.539 -2.405 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.353 2.410 -1.515 1.00 0.00 C ATOM 956 CZ PHE A 63 6.193 1.030 -1.725 1.00 0.00 C ATOM 0 H PHE A 63 1.107 1.963 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 63 2.395 4.398 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.657 3.427 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.493 4.750 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.236 1.067 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.475 4.367 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.951 -0.522 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.237 2.781 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.942 0.342 -1.361 1.00 0.00 H new ATOM 966 N VAL A 64 0.232 5.488 -1.783 1.00 0.00 N ATOM 967 CA VAL A 64 -0.933 6.246 -2.213 1.00 0.00 C ATOM 968 C VAL A 64 -0.345 7.519 -2.833 1.00 0.00 C ATOM 969 O VAL A 64 0.328 8.298 -2.152 1.00 0.00 O ATOM 970 CB VAL A 64 -1.852 6.482 -0.999 1.00 0.00 C ATOM 971 CG1 VAL A 64 -3.079 7.348 -1.296 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.354 5.201 -0.323 1.00 0.00 C ATOM 0 H VAL A 64 0.639 5.828 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.567 5.747 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.184 7.013 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.671 7.464 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.756 8.328 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.685 6.869 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.993 5.461 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.923 4.610 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.503 4.620 0.032 1.00 0.00 H new ATOM 982 N GLU A 65 -0.489 7.645 -4.149 1.00 0.00 N ATOM 983 CA GLU A 65 -0.121 8.811 -4.951 1.00 0.00 C ATOM 984 C GLU A 65 -1.274 9.815 -4.809 1.00 0.00 C ATOM 985 O GLU A 65 -2.443 9.412 -4.707 1.00 0.00 O ATOM 986 CB GLU A 65 0.007 8.313 -6.403 1.00 0.00 C ATOM 987 CG GLU A 65 0.855 8.981 -7.508 1.00 0.00 C ATOM 988 CD GLU A 65 1.351 10.424 -7.404 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.579 10.930 -6.294 1.00 0.00 O ATOM 990 OE2 GLU A 65 1.623 11.009 -8.491 1.00 0.00 O ATOM 0 H GLU A 65 -0.887 6.897 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 65 0.812 9.285 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.365 7.286 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.010 8.271 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.738 8.357 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.275 8.916 -8.428 1.00 0.00 H new ATOM 997 N PHE A 66 -0.978 11.107 -4.863 1.00 0.00 N ATOM 998 CA PHE A 66 -1.946 12.190 -4.709 1.00 0.00 C ATOM 999 C PHE A 66 -1.795 13.188 -5.855 1.00 0.00 C ATOM 1000 O PHE A 66 -0.965 13.021 -6.748 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.813 12.848 -3.322 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.421 12.055 -2.177 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.780 12.229 -1.840 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -1.630 11.160 -1.436 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -4.331 11.557 -0.738 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -2.181 10.481 -0.335 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.530 10.683 0.013 1.00 0.00 C ATOM 0 H PHE A 66 -0.028 11.443 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.957 11.786 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.756 13.009 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.284 13.830 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.400 12.884 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.599 10.994 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.366 11.712 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.569 9.805 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.950 10.163 0.861 1.00 0.00 H new ATOM 1017 N THR A 67 -2.624 14.228 -5.848 1.00 0.00 N ATOM 1018 CA THR A 67 -2.646 15.240 -6.890 1.00 0.00 C ATOM 1019 C THR A 67 -1.704 16.419 -6.613 1.00 0.00 C ATOM 1020 O THR A 67 -1.464 17.204 -7.532 1.00 0.00 O ATOM 1021 CB THR A 67 -4.099 15.697 -7.076 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.757 15.862 -5.828 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.867 14.629 -7.868 1.00 0.00 C ATOM 0 H THR A 67 -3.306 14.390 -5.107 1.00 0.00 H new ATOM 0 HA THR A 67 -2.268 14.801 -7.813 1.00 0.00 H new ATOM 0 HB THR A 67 -4.081 16.651 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.382 16.637 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.900 14.949 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.399 14.492 -8.843 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.848 13.686 -7.321 1.00 0.00 H new ATOM 1031 N SER A 68 -1.178 16.570 -5.394 1.00 0.00 N ATOM 1032 CA SER A 68 -0.282 17.655 -5.032 1.00 0.00 C ATOM 1033 C SER A 68 0.423 17.333 -3.724 1.00 0.00 C ATOM 1034 O SER A 68 -0.133 16.662 -2.849 1.00 0.00 O ATOM 1035 CB SER A 68 -1.082 18.947 -4.856 1.00 0.00 C ATOM 1036 OG SER A 68 -0.287 20.106 -5.008 1.00 0.00 O ATOM 0 H SER A 68 -1.370 15.929 -4.625 1.00 0.00 H new ATOM 0 HA SER A 68 0.456 17.779 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.893 18.969 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.541 18.953 -3.867 1.00 0.00 H new ATOM 0 HG SER A 68 -0.844 20.903 -4.888 1.00 0.00 H new ATOM 1042 N VAL A 69 1.589 17.945 -3.524 1.00 0.00 N ATOM 1043 CA VAL A 69 2.348 17.850 -2.279 1.00 0.00 C ATOM 1044 C VAL A 69 1.546 18.516 -1.147 1.00 0.00 C ATOM 1045 O VAL A 69 1.743 18.214 0.030 1.00 0.00 O ATOM 1046 CB VAL A 69 3.756 18.474 -2.455 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.624 18.291 -1.206 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.596 17.879 -3.593 1.00 0.00 C ATOM 0 H VAL A 69 2.038 18.528 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 69 2.502 16.804 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 69 3.520 19.516 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.602 18.743 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.142 18.772 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.746 17.228 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.562 18.382 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.749 16.815 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.075 18.017 -4.540 1.00 0.00 H new ATOM 1058 N PHE A 70 0.632 19.436 -1.467 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.185 20.085 -0.455 1.00 0.00 C ATOM 1060 C PHE A 70 -1.422 19.279 -0.073 1.00 0.00 C ATOM 1061 O PHE A 70 -1.980 19.553 0.985 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.539 21.503 -0.895 1.00 0.00 C ATOM 1063 CG PHE A 70 0.503 22.511 -0.435 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.767 22.578 -1.056 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.230 23.347 0.665 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.731 23.500 -0.608 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.194 24.263 1.124 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.440 24.345 0.477 1.00 0.00 C ATOM 0 H PHE A 70 0.444 19.744 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 70 0.412 20.142 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.623 21.537 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.514 21.777 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.997 21.918 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.728 23.284 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.692 23.558 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.978 24.900 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.176 25.060 0.815 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.847 18.311 -0.889 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.995 17.453 -0.577 1.00 0.00 C ATOM 1080 C ASP A 71 -2.551 16.417 0.461 1.00 0.00 C ATOM 1081 O ASP A 71 -3.197 16.201 1.492 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.505 16.742 -1.847 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.127 17.649 -2.913 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -5.030 18.447 -2.603 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -3.749 17.552 -4.105 1.00 0.00 O ATOM 0 H ASP A 71 -1.406 18.099 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.810 18.060 -0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.672 16.201 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.246 15.999 -1.552 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.385 15.810 0.224 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.937 14.649 0.982 1.00 0.00 C ATOM 1092 C CYS A 72 -0.541 15.053 2.413 1.00 0.00 C ATOM 1093 O CYS A 72 -0.819 14.343 3.377 1.00 0.00 O ATOM 1094 CB CYS A 72 0.208 13.973 0.218 1.00 0.00 C ATOM 1095 SG CYS A 72 1.605 15.090 -0.048 1.00 0.00 S ATOM 0 H CYS A 72 -0.730 16.112 -0.497 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.748 13.928 1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.546 13.098 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.160 13.618 -0.745 1.00 0.00 H new ATOM 0 HG CYS A 72 2.638 14.406 -0.442 1.00 0.00 H new ATOM 1101 N GLN A 73 0.056 16.236 2.568 1.00 0.00 N ATOM 1102 CA GLN A 73 0.303 16.937 3.827 1.00 0.00 C ATOM 1103 C GLN A 73 -0.931 16.980 4.737 1.00 0.00 C ATOM 1104 O GLN A 73 -0.783 16.900 5.963 1.00 0.00 O ATOM 1105 CB GLN A 73 0.830 18.354 3.500 1.00 0.00 C ATOM 1106 CG GLN A 73 2.371 18.483 3.486 1.00 0.00 C ATOM 1107 CD GLN A 73 3.121 17.303 2.883 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.178 16.247 3.496 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.777 17.482 1.756 1.00 0.00 N ATOM 0 H GLN A 73 0.401 16.763 1.766 1.00 0.00 H new ATOM 0 HA GLN A 73 1.053 16.386 4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.445 18.654 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.427 19.055 4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.638 19.383 2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.716 18.626 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.712 18.373 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.350 16.729 1.374 1.00 0.00 H new ATOM 1118 N LYS A 74 -2.134 17.113 4.170 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.355 17.211 4.957 1.00 0.00 C ATOM 1120 C LYS A 74 -3.756 15.811 5.412 1.00 0.00 C ATOM 1121 O LYS A 74 -3.976 15.589 6.606 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.458 17.916 4.145 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.934 19.141 3.378 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.817 20.389 3.413 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.290 21.343 2.334 1.00 0.00 C ATOM 1126 NZ LYS A 74 -4.908 22.681 2.407 1.00 0.00 N ATOM 0 H LYS A 74 -2.283 17.155 3.162 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.193 17.820 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.893 17.209 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.257 18.227 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.955 19.403 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.786 18.855 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.858 20.130 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.780 20.860 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.209 21.440 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.479 20.913 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.517 23.285 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.937 22.595 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.706 23.106 3.334 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.772 14.864 4.466 1.00 0.00 N ATOM 1141 CA ALA A 75 -4.091 13.462 4.702 1.00 0.00 C ATOM 1142 C ALA A 75 -3.197 12.865 5.792 1.00 0.00 C ATOM 1143 O ALA A 75 -3.715 12.226 6.701 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.962 12.672 3.391 1.00 0.00 C ATOM 0 H ALA A 75 -3.556 15.064 3.489 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.120 13.395 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.201 11.624 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.652 13.079 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.941 12.751 3.017 1.00 0.00 H new ATOM 1150 N MET A 76 -1.878 13.076 5.710 1.00 0.00 N ATOM 1151 CA MET A 76 -0.877 12.554 6.629 1.00 0.00 C ATOM 1152 C MET A 76 -1.294 12.817 8.072 1.00 0.00 C ATOM 1153 O MET A 76 -1.629 11.882 8.804 1.00 0.00 O ATOM 1154 CB MET A 76 0.489 13.174 6.273 1.00 0.00 C ATOM 1155 CG MET A 76 1.543 12.955 7.362 1.00 0.00 C ATOM 1156 SD MET A 76 3.237 13.341 6.860 1.00 0.00 S ATOM 1157 CE MET A 76 3.840 11.655 6.673 1.00 0.00 C ATOM 0 H MET A 76 -1.468 13.641 4.966 1.00 0.00 H new ATOM 0 HA MET A 76 -0.790 11.472 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.845 12.743 5.337 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.364 14.244 6.104 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.286 13.567 8.226 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.502 11.915 7.685 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.718 11.652 6.028 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.107 11.253 7.651 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.060 11.037 6.227 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.253 14.081 8.488 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.538 14.454 9.866 1.00 0.00 C ATOM 1169 C GLN A 77 -2.980 14.073 10.241 1.00 0.00 C ATOM 1170 O GLN A 77 -3.196 13.658 11.378 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.235 15.946 10.106 1.00 0.00 C ATOM 1172 CG GLN A 77 0.241 16.311 9.848 1.00 0.00 C ATOM 1173 CD GLN A 77 0.622 17.750 10.222 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -0.133 18.490 10.846 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.828 18.161 9.863 1.00 0.00 N ATOM 0 H GLN A 77 -1.023 14.868 7.882 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.878 13.893 10.528 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.871 16.549 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.493 16.203 11.134 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.874 15.624 10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.460 16.155 8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.446 17.537 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.139 19.102 10.105 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.938 14.128 9.304 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.341 13.779 9.531 1.00 0.00 C ATOM 1186 C GLY A 78 -5.581 12.283 9.777 1.00 0.00 C ATOM 1187 O GLY A 78 -6.660 11.911 10.248 1.00 0.00 O ATOM 0 H GLY A 78 -3.750 14.424 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.710 14.341 10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.927 14.093 8.667 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.620 11.408 9.457 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.777 9.948 9.480 1.00 0.00 C ATOM 1193 C LEU A 79 -3.646 9.244 10.236 1.00 0.00 C ATOM 1194 O LEU A 79 -3.544 8.016 10.204 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.901 9.425 8.037 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.163 9.895 7.288 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.135 9.407 5.834 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.425 9.342 7.949 1.00 0.00 C ATOM 0 H LEU A 79 -3.688 11.703 9.167 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.690 9.715 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.022 9.740 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.892 8.335 8.058 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.176 10.984 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.033 9.747 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.255 9.809 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.097 8.318 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.303 9.687 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.395 8.252 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.479 9.691 8.980 1.00 0.00 H new ATOM 1210 N THR A 80 -2.785 9.988 10.923 1.00 0.00 N ATOM 1211 CA THR A 80 -1.701 9.447 11.726 1.00 0.00 C ATOM 1212 C THR A 80 -2.267 8.614 12.890 1.00 0.00 C ATOM 1213 O THR A 80 -2.707 9.150 13.916 1.00 0.00 O ATOM 1214 CB THR A 80 -0.818 10.611 12.180 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.212 11.228 11.060 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.289 10.134 13.122 1.00 0.00 C ATOM 0 H THR A 80 -2.825 11.007 10.935 1.00 0.00 H new ATOM 0 HA THR A 80 -1.081 8.763 11.147 1.00 0.00 H new ATOM 0 HB THR A 80 -1.458 11.320 12.706 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.891 11.404 10.376 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.899 10.984 13.427 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.157 9.673 14.003 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.915 9.404 12.608 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.222 7.291 12.726 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.679 6.310 13.700 1.00 0.00 C ATOM 1226 C GLY A 81 -4.042 5.714 13.357 1.00 0.00 C ATOM 1227 O GLY A 81 -4.522 4.863 14.106 1.00 0.00 O ATOM 0 H GLY A 81 -1.852 6.862 11.878 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.945 5.507 13.769 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.731 6.780 14.682 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.659 6.090 12.228 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.896 5.457 11.764 1.00 0.00 C ATOM 1233 C ARG A 82 -5.685 3.969 11.456 1.00 0.00 C ATOM 1234 O ARG A 82 -4.583 3.452 11.621 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.479 6.253 10.575 1.00 0.00 C ATOM 1236 CG ARG A 82 -8.003 6.399 10.705 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.766 5.939 9.459 1.00 0.00 C ATOM 1238 NE ARG A 82 -10.215 5.849 9.718 1.00 0.00 N ATOM 1239 CZ ARG A 82 -11.061 4.968 9.164 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.677 4.159 8.195 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -12.307 4.891 9.612 1.00 0.00 N ATOM 0 H ARG A 82 -4.317 6.833 11.619 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.636 5.485 12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.018 7.240 10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.237 5.747 9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.344 5.822 11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.245 7.443 10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.584 6.636 8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.391 4.967 9.139 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.610 6.518 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.717 4.195 7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.340 3.498 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.614 5.499 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.958 4.224 9.197 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.716 3.261 10.996 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.611 1.876 10.538 1.00 0.00 C ATOM 1257 C LYS A 83 -7.151 1.853 9.124 1.00 0.00 C ATOM 1258 O LYS A 83 -8.145 2.528 8.874 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.431 0.922 11.416 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.125 1.022 12.918 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.070 1.988 13.636 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.757 2.043 15.133 1.00 0.00 C ATOM 1263 NZ LYS A 83 -8.966 1.778 15.931 1.00 0.00 N ATOM 0 H LYS A 83 -7.661 3.639 10.930 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.575 1.542 10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.491 1.124 11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.249 -0.101 11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.206 0.034 13.370 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.096 1.353 13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.976 2.984 13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.102 1.672 13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.988 1.309 15.375 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.355 3.023 15.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.730 1.820 16.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.689 2.493 15.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.334 0.833 15.701 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.523 1.100 8.226 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.987 0.943 6.841 1.00 0.00 C ATOM 1279 C PHE A 84 -7.337 -0.531 6.571 1.00 0.00 C ATOM 1280 O PHE A 84 -7.535 -0.949 5.431 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.881 1.451 5.894 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.822 2.928 5.526 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.091 3.951 6.455 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.446 3.278 4.217 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.053 5.299 6.055 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.434 4.622 3.805 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.773 5.631 4.718 1.00 0.00 C ATOM 0 H PHE A 84 -5.673 0.576 8.434 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.891 1.528 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.923 1.189 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.963 0.887 4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.327 3.700 7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.163 2.504 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.239 6.081 6.777 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.165 4.876 2.790 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.819 6.660 4.395 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.442 -1.310 7.646 1.00 0.00 N ATOM 1298 CA ALA A 85 -7.893 -2.691 7.698 1.00 0.00 C ATOM 1299 C ALA A 85 -8.331 -2.982 9.133 1.00 0.00 C ATOM 1300 O ALA A 85 -9.521 -3.119 9.435 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.781 -3.654 7.241 1.00 0.00 C ATOM 0 H ALA A 85 -7.194 -0.961 8.572 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.730 -2.842 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.146 -4.680 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.495 -3.419 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.915 -3.545 7.894 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.346 -3.056 10.034 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.545 -3.256 11.467 1.00 0.00 C ATOM 1309 C ASN A 86 -6.302 -2.872 12.273 1.00 0.00 C ATOM 1310 O ASN A 86 -6.438 -2.471 13.425 1.00 0.00 O ATOM 1311 CB ASN A 86 -7.891 -4.736 11.756 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.314 -4.921 12.276 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.793 -4.166 13.117 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.054 -5.894 11.769 1.00 0.00 N ATOM 0 H ASN A 86 -6.362 -2.976 9.776 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.368 -2.610 11.771 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.764 -5.319 10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.187 -5.132 12.488 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.019 -6.015 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.660 -6.523 11.070 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.089 -2.994 11.714 1.00 0.00 N ATOM 1322 CA ARG A 87 -3.857 -2.583 12.408 1.00 0.00 C ATOM 1323 C ARG A 87 -3.713 -1.059 12.333 1.00 0.00 C ATOM 1324 O ARG A 87 -4.513 -0.406 11.663 1.00 0.00 O ATOM 1325 CB ARG A 87 -2.640 -3.316 11.812 1.00 0.00 C ATOM 1326 CG ARG A 87 -2.698 -4.821 12.123 1.00 0.00 C ATOM 1327 CD ARG A 87 -1.446 -5.560 11.630 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.488 -7.007 11.919 1.00 0.00 N ATOM 1329 CZ ARG A 87 -1.234 -7.597 13.097 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -0.988 -6.864 14.180 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -1.233 -8.921 13.197 1.00 0.00 N ATOM 0 H ARG A 87 -4.934 -3.375 10.781 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.912 -2.861 13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.612 -3.165 10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.721 -2.892 12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.804 -4.965 13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.582 -5.254 11.655 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.341 -5.411 10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.564 -5.125 12.100 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.736 -7.622 11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.992 -5.846 14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.796 -7.320 15.072 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.426 -9.495 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.039 -9.364 14.095 1.00 0.00 H new ATOM 1345 N VAL A 88 -2.702 -0.491 12.992 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.420 0.944 12.904 1.00 0.00 C ATOM 1347 C VAL A 88 -2.022 1.287 11.468 1.00 0.00 C ATOM 1348 O VAL A 88 -1.689 0.398 10.695 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.364 1.319 13.963 1.00 0.00 C ATOM 1350 CG1 VAL A 88 0.024 0.761 13.628 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.249 2.826 14.224 1.00 0.00 C ATOM 0 H VAL A 88 -2.061 -1.006 13.596 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.302 1.544 13.129 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.731 0.852 14.877 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.731 1.053 14.405 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.025 -0.326 13.572 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.354 1.159 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.486 3.007 14.981 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.973 3.335 13.301 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.207 3.208 14.576 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.010 2.562 11.116 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.411 3.093 9.909 1.00 0.00 C ATOM 1363 C VAL A 89 -0.256 3.977 10.349 1.00 0.00 C ATOM 1364 O VAL A 89 -0.415 4.893 11.162 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.492 3.824 9.097 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.909 4.737 8.010 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.446 2.795 8.462 1.00 0.00 C ATOM 0 H VAL A 89 -2.438 3.286 11.693 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.014 2.324 9.247 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.035 4.466 9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.721 5.225 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.274 5.493 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.318 4.142 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.212 3.315 7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.883 2.135 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.920 2.205 9.247 1.00 0.00 H new ATOM 1377 N VAL A 90 0.925 3.684 9.815 1.00 0.00 N ATOM 1378 CA VAL A 90 2.087 4.552 9.901 1.00 0.00 C ATOM 1379 C VAL A 90 2.248 5.167 8.521 1.00 0.00 C ATOM 1380 O VAL A 90 2.221 4.445 7.522 1.00 0.00 O ATOM 1381 CB VAL A 90 3.326 3.754 10.352 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.549 4.676 10.474 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.072 3.056 11.697 1.00 0.00 C ATOM 0 H VAL A 90 1.101 2.820 9.302 1.00 0.00 H new ATOM 0 HA VAL A 90 1.965 5.337 10.647 1.00 0.00 H new ATOM 0 HB VAL A 90 3.524 2.995 9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.413 4.094 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.757 5.134 9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.345 5.455 11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.962 2.500 11.992 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.842 3.803 12.457 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.232 2.369 11.597 1.00 0.00 H new ATOM 1393 N THR A 91 2.377 6.488 8.469 1.00 0.00 N ATOM 1394 CA THR A 91 2.646 7.243 7.259 1.00 0.00 C ATOM 1395 C THR A 91 4.139 7.566 7.206 1.00 0.00 C ATOM 1396 O THR A 91 4.759 7.839 8.237 1.00 0.00 O ATOM 1397 CB THR A 91 1.787 8.524 7.267 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.848 9.197 8.514 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.309 8.211 7.029 1.00 0.00 C ATOM 0 H THR A 91 2.294 7.078 9.297 1.00 0.00 H new ATOM 0 HA THR A 91 2.387 6.667 6.371 1.00 0.00 H new ATOM 0 HB THR A 91 2.194 9.146 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.175 9.909 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.266 9.137 7.041 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.192 7.724 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.054 7.549 7.815 1.00 0.00 H new ATOM 1407 N LYS A 92 4.715 7.618 6.009 1.00 0.00 N ATOM 1408 CA LYS A 92 5.978 8.282 5.707 1.00 0.00 C ATOM 1409 C LYS A 92 5.829 8.942 4.339 1.00 0.00 C ATOM 1410 O LYS A 92 4.954 8.556 3.562 1.00 0.00 O ATOM 1411 CB LYS A 92 7.134 7.274 5.650 1.00 0.00 C ATOM 1412 CG LYS A 92 7.623 6.753 7.006 1.00 0.00 C ATOM 1413 CD LYS A 92 8.819 5.801 6.858 1.00 0.00 C ATOM 1414 CE LYS A 92 10.071 6.526 6.353 1.00 0.00 C ATOM 1415 NZ LYS A 92 11.194 5.616 6.067 1.00 0.00 N ATOM 0 H LYS A 92 4.296 7.180 5.188 1.00 0.00 H new ATOM 0 HA LYS A 92 6.204 9.011 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.821 6.423 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.974 7.740 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.906 7.595 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.808 6.235 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.033 5.335 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.561 4.999 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.822 7.080 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.385 7.257 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.009 6.166 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.456 5.105 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.910 4.934 5.335 1.00 0.00 H new ATOM 1429 N TYR A 93 6.688 9.907 4.022 1.00 0.00 N ATOM 1430 CA TYR A 93 6.925 10.264 2.628 1.00 0.00 C ATOM 1431 C TYR A 93 7.670 9.121 1.944 1.00 0.00 C ATOM 1432 O TYR A 93 8.355 8.324 2.598 1.00 0.00 O ATOM 1433 CB TYR A 93 7.713 11.580 2.530 1.00 0.00 C ATOM 1434 CG TYR A 93 7.018 12.753 3.193 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.638 12.940 3.003 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.736 13.637 4.021 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.961 13.954 3.689 1.00 0.00 C ATOM 1438 CE2 TYR A 93 7.072 14.664 4.712 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.676 14.817 4.556 1.00 0.00 C ATOM 1440 OH TYR A 93 5.042 15.830 5.199 1.00 0.00 O ATOM 0 H TYR A 93 7.224 10.448 4.700 1.00 0.00 H new ATOM 0 HA TYR A 93 5.972 10.420 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.693 11.442 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.882 11.815 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.097 12.297 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.805 13.525 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.896 14.079 3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.624 15.331 5.357 1.00 0.00 H new ATOM 0 HH TYR A 93 4.213 16.050 4.726 1.00 0.00 H new ATOM 1450 N CYS A 94 7.563 9.060 0.625 1.00 0.00 N ATOM 1451 CA CYS A 94 8.403 8.263 -0.255 1.00 0.00 C ATOM 1452 C CYS A 94 9.202 9.232 -1.126 1.00 0.00 C ATOM 1453 O CYS A 94 9.071 10.446 -0.964 1.00 0.00 O ATOM 1454 CB CYS A 94 7.512 7.322 -1.086 1.00 0.00 C ATOM 1455 SG CYS A 94 7.982 5.605 -0.751 1.00 0.00 S ATOM 0 H CYS A 94 6.855 9.590 0.116 1.00 0.00 H new ATOM 0 HA CYS A 94 9.100 7.635 0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.463 7.480 -0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.622 7.541 -2.148 1.00 0.00 H new ATOM 0 HG CYS A 94 7.137 4.803 -1.328 1.00 0.00 H new ATOM 1461 N ASP A 95 9.996 8.720 -2.062 1.00 0.00 N ATOM 1462 CA ASP A 95 10.373 9.521 -3.223 1.00 0.00 C ATOM 1463 C ASP A 95 9.449 9.090 -4.367 1.00 0.00 C ATOM 1464 O ASP A 95 9.088 7.912 -4.436 1.00 0.00 O ATOM 1465 CB ASP A 95 11.835 9.321 -3.623 1.00 0.00 C ATOM 1466 CG ASP A 95 12.843 9.842 -2.597 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.634 10.907 -1.974 1.00 0.00 O ATOM 1468 OD2 ASP A 95 13.914 9.201 -2.446 1.00 0.00 O ATOM 0 H ASP A 95 10.383 7.777 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 95 10.268 10.580 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.014 8.258 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.011 9.821 -4.575 1.00 0.00 H new ATOM 1473 N PRO A 96 9.037 9.999 -5.260 1.00 0.00 N ATOM 1474 CA PRO A 96 8.064 9.699 -6.299 1.00 0.00 C ATOM 1475 C PRO A 96 8.673 8.961 -7.489 1.00 0.00 C ATOM 1476 O PRO A 96 7.951 8.256 -8.184 1.00 0.00 O ATOM 1477 CB PRO A 96 7.495 11.060 -6.711 1.00 0.00 C ATOM 1478 CG PRO A 96 8.653 12.008 -6.434 1.00 0.00 C ATOM 1479 CD PRO A 96 9.234 11.425 -5.159 1.00 0.00 C ATOM 0 HA PRO A 96 7.294 9.022 -5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.202 11.075 -7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.611 11.321 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.378 12.016 -7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.316 13.036 -6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.292 11.669 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.733 11.829 -4.279 1.00 0.00 H new ATOM 1487 N ASP A 97 9.983 9.085 -7.733 1.00 0.00 N ATOM 1488 CA ASP A 97 10.627 8.404 -8.864 1.00 0.00 C ATOM 1489 C ASP A 97 10.347 6.905 -8.822 1.00 0.00 C ATOM 1490 O ASP A 97 9.908 6.318 -9.811 1.00 0.00 O ATOM 1491 CB ASP A 97 12.143 8.603 -8.891 1.00 0.00 C ATOM 1492 CG ASP A 97 12.623 8.677 -10.338 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.450 9.757 -10.967 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.145 7.662 -10.842 1.00 0.00 O ATOM 0 H ASP A 97 10.616 9.648 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 97 10.202 8.852 -9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.410 9.518 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.637 7.780 -8.375 1.00 0.00 H new ATOM 1499 N SER A 98 10.522 6.318 -7.636 1.00 0.00 N ATOM 1500 CA SER A 98 10.357 4.905 -7.392 1.00 0.00 C ATOM 1501 C SER A 98 8.872 4.501 -7.334 1.00 0.00 C ATOM 1502 O SER A 98 8.567 3.350 -7.022 1.00 0.00 O ATOM 1503 CB SER A 98 11.142 4.514 -6.125 1.00 0.00 C ATOM 1504 OG SER A 98 11.153 5.531 -5.131 1.00 0.00 O ATOM 0 H SER A 98 10.790 6.839 -6.801 1.00 0.00 H new ATOM 0 HA SER A 98 10.770 4.344 -8.230 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.707 3.608 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.169 4.276 -6.402 1.00 0.00 H new ATOM 0 HG SER A 98 11.664 5.223 -4.353 1.00 0.00 H new ATOM 1510 N TYR A 99 7.939 5.431 -7.564 1.00 0.00 N ATOM 1511 CA TYR A 99 6.541 5.146 -7.833 1.00 0.00 C ATOM 1512 C TYR A 99 6.334 5.063 -9.344 1.00 0.00 C ATOM 1513 O TYR A 99 5.701 4.116 -9.820 1.00 0.00 O ATOM 1514 CB TYR A 99 5.630 6.220 -7.213 1.00 0.00 C ATOM 1515 CG TYR A 99 4.147 5.912 -7.342 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.478 6.112 -8.566 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.425 5.433 -6.235 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.122 5.756 -8.711 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.060 5.114 -6.357 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.417 5.230 -7.607 1.00 0.00 C ATOM 1521 OH TYR A 99 0.132 4.806 -7.755 1.00 0.00 O ATOM 0 H TYR A 99 8.150 6.429 -7.566 1.00 0.00 H new ATOM 0 HA TYR A 99 6.274 4.192 -7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.879 6.330 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.836 7.178 -7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.010 6.543 -9.402 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.922 5.309 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.625 5.885 -9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.504 4.780 -5.493 1.00 0.00 H new ATOM 0 HH TYR A 99 0.111 4.028 -8.350 1.00 0.00 H new ATOM 1531 N HIS A 100 6.834 6.055 -10.095 1.00 0.00 N ATOM 1532 CA HIS A 100 6.669 6.109 -11.543 1.00 0.00 C ATOM 1533 C HIS A 100 7.291 4.888 -12.217 1.00 0.00 C ATOM 1534 O HIS A 100 6.843 4.484 -13.297 1.00 0.00 O ATOM 1535 CB HIS A 100 7.337 7.360 -12.119 1.00 0.00 C ATOM 1536 CG HIS A 100 6.955 8.664 -11.474 1.00 0.00 C ATOM 1537 ND1 HIS A 100 7.825 9.529 -10.867 1.00 0.00 N ATOM 1538 CD2 HIS A 100 5.708 9.215 -11.387 1.00 0.00 C ATOM 1539 CE1 HIS A 100 7.105 10.562 -10.416 1.00 0.00 C ATOM 1540 NE2 HIS A 100 5.808 10.449 -10.739 1.00 0.00 N ATOM 0 H HIS A 100 7.362 6.838 -9.710 1.00 0.00 H new ATOM 0 HA HIS A 100 5.597 6.131 -11.739 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.418 7.240 -12.040 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.100 7.419 -13.181 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.796 8.771 -11.758 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.519 11.389 -9.858 1.00 0.00 H new ATOM 0 HE2 HIS A 100 5.060 11.117 -10.553 1.00 0.00 H new ATOM 1548 N ARG A 101 8.350 4.334 -11.618 1.00 0.00 N ATOM 1549 CA ARG A 101 8.957 3.075 -12.017 1.00 0.00 C ATOM 1550 C ARG A 101 8.574 1.983 -11.034 1.00 0.00 C ATOM 1551 O ARG A 101 8.215 2.242 -9.896 1.00 0.00 O ATOM 1552 CB ARG A 101 10.479 3.219 -12.078 1.00 0.00 C ATOM 1553 CG ARG A 101 10.971 4.179 -13.169 1.00 0.00 C ATOM 1554 CD ARG A 101 12.424 3.810 -13.459 1.00 0.00 C ATOM 1555 NE ARG A 101 13.100 4.748 -14.359 1.00 0.00 N ATOM 1556 CZ ARG A 101 14.407 5.031 -14.343 1.00 0.00 C ATOM 1557 NH1 ARG A 101 15.238 4.403 -13.521 1.00 0.00 N ATOM 1558 NH2 ARG A 101 14.874 5.932 -15.194 1.00 0.00 N ATOM 0 H ARG A 101 8.816 4.767 -10.821 1.00 0.00 H new ATOM 0 HA ARG A 101 8.592 2.804 -13.008 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.840 3.569 -11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.920 2.237 -12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.362 4.087 -14.068 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.894 5.214 -12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.973 3.763 -12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.456 2.812 -13.897 1.00 0.00 H new ATOM 0 HE ARG A 101 12.527 5.224 -15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.883 3.689 -12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 101 16.231 4.634 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.240 6.395 -15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.868 6.163 -15.198 1.00 0.00 H new ATOM 1572 N ARG A 102 8.763 0.734 -11.440 1.00 0.00 N ATOM 1573 CA ARG A 102 8.506 -0.492 -10.684 1.00 0.00 C ATOM 1574 C ARG A 102 9.539 -0.734 -9.574 1.00 0.00 C ATOM 1575 O ARG A 102 9.868 -1.888 -9.284 1.00 0.00 O ATOM 1576 CB ARG A 102 8.468 -1.640 -11.709 1.00 0.00 C ATOM 1577 CG ARG A 102 7.565 -2.813 -11.325 1.00 0.00 C ATOM 1578 CD ARG A 102 8.061 -4.117 -11.960 1.00 0.00 C ATOM 1579 NE ARG A 102 8.719 -3.960 -13.276 1.00 0.00 N ATOM 1580 CZ ARG A 102 8.178 -3.502 -14.407 1.00 0.00 C ATOM 1581 NH1 ARG A 102 6.863 -3.464 -14.593 1.00 0.00 N ATOM 1582 NH2 ARG A 102 8.977 -3.063 -15.373 1.00 0.00 N ATOM 0 H ARG A 102 9.126 0.533 -12.372 1.00 0.00 H new ATOM 0 HA ARG A 102 7.556 -0.417 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.135 -1.242 -12.667 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.482 -2.013 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.541 -2.918 -10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.544 -2.612 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.762 -4.594 -11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.214 -4.794 -12.072 1.00 0.00 H new ATOM 0 HE ARG A 102 9.700 -4.234 -13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.234 -3.791 -13.859 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.482 -3.108 -15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.989 -3.079 -15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.579 -2.710 -16.243 1.00 0.00 H new ATOM 1596 N ASP A 103 10.231 0.307 -9.115 1.00 0.00 N ATOM 1597 CA ASP A 103 11.507 0.189 -8.424 1.00 0.00 C ATOM 1598 C ASP A 103 11.305 0.020 -6.920 1.00 0.00 C ATOM 1599 O ASP A 103 11.676 0.885 -6.126 1.00 0.00 O ATOM 1600 CB ASP A 103 12.397 1.380 -8.778 1.00 0.00 C ATOM 1601 CG ASP A 103 13.846 1.158 -8.338 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.213 0.026 -7.928 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.647 2.089 -8.583 1.00 0.00 O ATOM 0 H ASP A 103 9.913 1.271 -9.216 1.00 0.00 H new ATOM 0 HA ASP A 103 12.020 -0.713 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.366 1.550 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.006 2.280 -8.302 1.00 0.00 H new ATOM 1608 N PHE A 104 10.676 -1.093 -6.528 1.00 0.00 N ATOM 1609 CA PHE A 104 10.215 -1.306 -5.166 1.00 0.00 C ATOM 1610 C PHE A 104 11.267 -2.098 -4.385 1.00 0.00 C ATOM 1611 O PHE A 104 12.193 -2.667 -4.976 1.00 0.00 O ATOM 1612 CB PHE A 104 8.848 -2.007 -5.201 1.00 0.00 C ATOM 1613 CG PHE A 104 7.868 -1.508 -6.257 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.640 -0.128 -6.448 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.203 -2.437 -7.083 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.749 0.313 -7.446 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.316 -1.998 -8.079 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.069 -0.623 -8.245 1.00 0.00 C ATOM 0 H PHE A 104 10.475 -1.871 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 104 10.083 -0.355 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.012 -3.073 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.382 -1.900 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.151 0.593 -5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.377 -3.494 -6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.588 1.370 -7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.823 -2.716 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.358 -0.287 -8.985 1.00 0.00 H new