USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 915 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 87 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.3!) USER MOD Set 1.2: A 100 SER OG : rot 140:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 161:sc= -0.0264 (180deg=-0.689) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.134) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= -0.989 (180deg=-1.63) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc=-0.00501 (180deg=-0.0113) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.102 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -1.16 (180deg=-2.29!) USER MOD Single : A 25 SER OG : rot -56:sc= 0.996 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.6! C(o=-1.6!,f=-1.7!) USER MOD Single : A 32 SER OG : rot -44:sc= -0.247 USER MOD Single : A 37 GLN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.867 USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0758) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000132) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.004 X(o=-0.004,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -38:sc= 0.225 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -133:sc= -1.01 (180deg=-3.13!) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 88 THR OG1 : rot -70:sc= 1.31 USER MOD Single : A 90 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.9!) USER MOD Single : A 94 SER OG : rot 99:sc= 0.0448 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 105 SER OG : rot 80:sc= 0.848 USER MOD Single : A 108 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 109 SER OG : rot 84:sc= 0.806 USER MOD Single : A 112 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 2.322 -19.455 -2.248 1.00 0.00 N ATOM 2 CA LYS A 11 1.616 -18.197 -2.483 1.00 0.00 C ATOM 3 C LYS A 11 1.522 -17.368 -1.204 1.00 0.00 C ATOM 4 O LYS A 11 1.821 -16.174 -1.209 1.00 0.00 O ATOM 5 CB LYS A 11 0.212 -18.465 -3.031 1.00 0.00 C ATOM 6 CG LYS A 11 0.204 -19.122 -4.402 1.00 0.00 C ATOM 7 CD LYS A 11 -0.998 -18.682 -5.220 1.00 0.00 C ATOM 8 CE LYS A 11 -1.232 -19.605 -6.405 1.00 0.00 C ATOM 9 NZ LYS A 11 -2.499 -19.282 -7.119 1.00 0.00 N ATOM 0 HA LYS A 11 2.186 -17.630 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.326 -19.103 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.332 -17.522 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.121 -18.868 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.191 -20.206 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.885 -18.668 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.845 -17.663 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.394 -19.526 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.263 -20.638 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.622 -19.934 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.301 -19.382 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.460 -18.304 -7.471 1.00 0.00 H new ATOM 23 N MET A 12 1.111 -18.010 -0.113 1.00 0.00 N ATOM 24 CA MET A 12 0.983 -17.330 1.177 1.00 0.00 C ATOM 25 C MET A 12 2.342 -16.830 1.662 1.00 0.00 C ATOM 26 O MET A 12 2.472 -15.682 2.088 1.00 0.00 O ATOM 27 CB MET A 12 0.357 -18.261 2.223 1.00 0.00 C ATOM 28 CG MET A 12 -0.486 -17.535 3.261 1.00 0.00 C ATOM 29 SD MET A 12 -2.157 -17.186 2.675 1.00 0.00 S ATOM 30 CE MET A 12 -2.487 -15.626 3.492 1.00 0.00 C ATOM 0 H MET A 12 0.861 -18.999 -0.095 1.00 0.00 H new ATOM 0 HA MET A 12 0.326 -16.471 1.040 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.264 -18.999 1.715 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.151 -18.808 2.731 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.541 -18.139 4.166 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.003 -16.599 3.531 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.309 -15.118 2.988 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.757 -15.810 4.532 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.596 -15.000 3.454 1.00 0.00 H new ATOM 40 N LYS A 13 3.353 -17.698 1.585 1.00 0.00 N ATOM 41 CA LYS A 13 4.706 -17.344 2.007 1.00 0.00 C ATOM 42 C LYS A 13 5.275 -16.219 1.146 1.00 0.00 C ATOM 43 O LYS A 13 5.953 -15.326 1.650 1.00 0.00 O ATOM 44 CB LYS A 13 5.624 -18.567 1.943 1.00 0.00 C ATOM 45 CG LYS A 13 6.782 -18.509 2.928 1.00 0.00 C ATOM 46 CD LYS A 13 7.039 -19.863 3.572 1.00 0.00 C ATOM 47 CE LYS A 13 8.516 -20.067 3.891 1.00 0.00 C ATOM 48 NZ LYS A 13 9.103 -18.909 4.628 1.00 0.00 N ATOM 0 H LYS A 13 3.258 -18.651 1.234 1.00 0.00 H new ATOM 0 HA LYS A 13 4.653 -16.993 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.036 -19.464 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.021 -18.661 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.682 -18.174 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.565 -17.773 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.454 -19.947 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.699 -20.654 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.635 -20.972 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.067 -20.222 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.046 -19.166 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.186 -18.095 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.487 -18.658 5.428 1.00 0.00 H new ATOM 62 N LYS A 14 4.990 -16.265 -0.156 1.00 0.00 N ATOM 63 CA LYS A 14 5.474 -15.243 -1.084 1.00 0.00 C ATOM 64 C LYS A 14 4.958 -13.858 -0.694 1.00 0.00 C ATOM 65 O LYS A 14 5.716 -12.886 -0.693 1.00 0.00 O ATOM 66 CB LYS A 14 5.049 -15.570 -2.522 1.00 0.00 C ATOM 67 CG LYS A 14 6.020 -16.487 -3.253 1.00 0.00 C ATOM 68 CD LYS A 14 6.335 -15.975 -4.652 1.00 0.00 C ATOM 69 CE LYS A 14 7.675 -15.254 -4.696 1.00 0.00 C ATOM 70 NZ LYS A 14 7.575 -13.927 -5.364 1.00 0.00 N ATOM 0 H LYS A 14 4.428 -16.997 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 14 6.563 -15.237 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.065 -16.038 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.949 -14.640 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.943 -16.570 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.595 -17.488 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.348 -16.811 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.546 -15.298 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.048 -15.121 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.401 -15.872 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.418 -13.361 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.512 -14.060 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.725 -13.431 -5.026 1.00 0.00 H new ATOM 84 N ILE A 15 3.668 -13.773 -0.359 1.00 0.00 N ATOM 85 CA ILE A 15 3.061 -12.501 0.030 1.00 0.00 C ATOM 86 C ILE A 15 3.634 -11.994 1.354 1.00 0.00 C ATOM 87 O ILE A 15 4.023 -10.829 1.460 1.00 0.00 O ATOM 88 CB ILE A 15 1.522 -12.603 0.156 1.00 0.00 C ATOM 89 CG1 ILE A 15 0.908 -13.172 -1.129 1.00 0.00 C ATOM 90 CG2 ILE A 15 0.926 -11.234 0.464 1.00 0.00 C ATOM 91 CD1 ILE A 15 -0.425 -13.860 -0.914 1.00 0.00 C ATOM 0 H ILE A 15 3.028 -14.567 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 15 3.300 -11.795 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 15 1.289 -13.281 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.778 -12.363 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.606 -13.882 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.157 -11.320 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.336 -10.861 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.172 -10.541 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.798 -14.237 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.298 -14.691 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.139 -13.148 -0.501 1.00 0.00 H new ATOM 103 N VAL A 16 3.679 -12.867 2.363 1.00 0.00 N ATOM 104 CA VAL A 16 4.199 -12.487 3.677 1.00 0.00 C ATOM 105 C VAL A 16 5.694 -12.156 3.620 1.00 0.00 C ATOM 106 O VAL A 16 6.133 -11.170 4.212 1.00 0.00 O ATOM 107 CB VAL A 16 3.941 -13.579 4.744 1.00 0.00 C ATOM 108 CG1 VAL A 16 4.640 -14.884 4.390 1.00 0.00 C ATOM 109 CG2 VAL A 16 4.377 -13.092 6.120 1.00 0.00 C ATOM 0 H VAL A 16 3.364 -13.835 2.296 1.00 0.00 H new ATOM 0 HA VAL A 16 3.655 -11.589 3.972 1.00 0.00 H new ATOM 0 HB VAL A 16 2.869 -13.776 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.436 -15.627 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.270 -15.246 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.715 -14.715 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.189 -13.871 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.441 -12.858 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.813 -12.198 6.385 1.00 0.00 H new ATOM 119 N ASP A 17 6.470 -12.972 2.900 1.00 0.00 N ATOM 120 CA ASP A 17 7.911 -12.742 2.771 1.00 0.00 C ATOM 121 C ASP A 17 8.192 -11.360 2.184 1.00 0.00 C ATOM 122 O ASP A 17 9.116 -10.672 2.616 1.00 0.00 O ATOM 123 CB ASP A 17 8.561 -13.821 1.892 1.00 0.00 C ATOM 124 CG ASP A 17 8.839 -15.116 2.639 1.00 0.00 C ATOM 125 OD1 ASP A 17 8.994 -15.077 3.879 1.00 0.00 O ATOM 126 OD2 ASP A 17 8.905 -16.175 1.981 1.00 0.00 O ATOM 0 H ASP A 17 6.127 -13.793 2.401 1.00 0.00 H new ATOM 0 HA ASP A 17 8.344 -12.794 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.909 -14.031 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.496 -13.435 1.487 1.00 0.00 H new ATOM 131 N ALA A 18 7.383 -10.956 1.202 1.00 0.00 N ATOM 132 CA ALA A 18 7.540 -9.653 0.560 1.00 0.00 C ATOM 133 C ALA A 18 7.187 -8.515 1.520 1.00 0.00 C ATOM 134 O ALA A 18 7.889 -7.503 1.575 1.00 0.00 O ATOM 135 CB ALA A 18 6.682 -9.574 -0.696 1.00 0.00 C ATOM 0 H ALA A 18 6.612 -11.515 0.835 1.00 0.00 H new ATOM 0 HA ALA A 18 8.587 -9.541 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.810 -8.597 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.987 -10.353 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.634 -9.715 -0.430 1.00 0.00 H new ATOM 141 N VAL A 19 6.100 -8.685 2.274 1.00 0.00 N ATOM 142 CA VAL A 19 5.663 -7.665 3.228 1.00 0.00 C ATOM 143 C VAL A 19 6.643 -7.541 4.394 1.00 0.00 C ATOM 144 O VAL A 19 7.050 -6.436 4.756 1.00 0.00 O ATOM 145 CB VAL A 19 4.248 -7.957 3.780 1.00 0.00 C ATOM 146 CG1 VAL A 19 3.766 -6.806 4.653 1.00 0.00 C ATOM 147 CG2 VAL A 19 3.266 -8.215 2.642 1.00 0.00 C ATOM 0 H VAL A 19 5.508 -9.515 2.243 1.00 0.00 H new ATOM 0 HA VAL A 19 5.634 -6.723 2.680 1.00 0.00 H new ATOM 0 HB VAL A 19 4.301 -8.856 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.769 -7.030 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.451 -6.673 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.733 -5.891 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.277 -8.418 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.217 -7.337 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.600 -9.074 2.061 1.00 0.00 H new ATOM 157 N ILE A 20 7.022 -8.679 4.976 1.00 0.00 N ATOM 158 CA ILE A 20 7.957 -8.692 6.099 1.00 0.00 C ATOM 159 C ILE A 20 9.344 -8.202 5.674 1.00 0.00 C ATOM 160 O ILE A 20 10.037 -7.545 6.453 1.00 0.00 O ATOM 161 CB ILE A 20 8.077 -10.097 6.730 1.00 0.00 C ATOM 162 CG1 ILE A 20 6.700 -10.607 7.171 1.00 0.00 C ATOM 163 CG2 ILE A 20 9.039 -10.078 7.914 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.061 -9.778 8.267 1.00 0.00 C ATOM 0 H ILE A 20 6.696 -9.602 4.688 1.00 0.00 H new ATOM 0 HA ILE A 20 7.553 -8.010 6.848 1.00 0.00 H new ATOM 0 HB ILE A 20 8.475 -10.776 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.036 -10.623 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.798 -11.636 7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.108 -11.078 8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.025 -9.759 7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.672 -9.384 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.090 -10.201 8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.704 -9.782 9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.929 -8.754 7.918 1.00 0.00 H new ATOM 176 N LYS A 21 9.746 -8.517 4.438 1.00 0.00 N ATOM 177 CA LYS A 21 11.052 -8.097 3.925 1.00 0.00 C ATOM 178 C LYS A 21 11.190 -6.570 3.952 1.00 0.00 C ATOM 179 O LYS A 21 12.293 -6.047 4.121 1.00 0.00 O ATOM 180 CB LYS A 21 11.272 -8.617 2.499 1.00 0.00 C ATOM 181 CG LYS A 21 12.060 -9.918 2.439 1.00 0.00 C ATOM 182 CD LYS A 21 12.357 -10.327 1.003 1.00 0.00 C ATOM 183 CE LYS A 21 13.050 -11.682 0.938 1.00 0.00 C ATOM 184 NZ LYS A 21 12.110 -12.808 1.215 1.00 0.00 N ATOM 0 H LYS A 21 9.188 -9.059 3.778 1.00 0.00 H new ATOM 0 HA LYS A 21 11.814 -8.525 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.303 -8.767 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.798 -7.857 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.996 -9.803 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.496 -10.709 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.427 -10.366 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.987 -9.572 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.493 -11.815 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.866 -11.706 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.616 -13.712 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.732 -12.715 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.326 -12.782 0.532 1.00 0.00 H new ATOM 198 N TYR A 22 10.067 -5.862 3.793 1.00 0.00 N ATOM 199 CA TYR A 22 10.068 -4.401 3.811 1.00 0.00 C ATOM 200 C TYR A 22 9.528 -3.869 5.144 1.00 0.00 C ATOM 201 O TYR A 22 8.606 -3.048 5.173 1.00 0.00 O ATOM 202 CB TYR A 22 9.238 -3.855 2.644 1.00 0.00 C ATOM 203 CG TYR A 22 9.735 -2.527 2.101 1.00 0.00 C ATOM 204 CD1 TYR A 22 10.226 -1.537 2.949 1.00 0.00 C ATOM 205 CD2 TYR A 22 9.706 -2.264 0.736 1.00 0.00 C ATOM 206 CE1 TYR A 22 10.673 -0.329 2.450 1.00 0.00 C ATOM 207 CE2 TYR A 22 10.151 -1.056 0.232 1.00 0.00 C ATOM 208 CZ TYR A 22 10.634 -0.093 1.093 1.00 0.00 C ATOM 209 OH TYR A 22 11.076 1.111 0.594 1.00 0.00 O ATOM 0 H TYR A 22 9.147 -6.280 3.651 1.00 0.00 H new ATOM 0 HA TYR A 22 11.097 -4.060 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.237 -4.588 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.204 -3.739 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.258 -1.717 4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.330 -3.016 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.052 0.428 3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 22 10.121 -0.867 -0.831 1.00 0.00 H new ATOM 0 HH TYR A 22 11.780 1.468 1.175 1.00 0.00 H new ATOM 219 N LYS A 23 10.113 -4.335 6.248 1.00 0.00 N ATOM 220 CA LYS A 23 9.698 -3.898 7.579 1.00 0.00 C ATOM 221 C LYS A 23 10.721 -2.931 8.164 1.00 0.00 C ATOM 222 O LYS A 23 11.870 -3.305 8.408 1.00 0.00 O ATOM 223 CB LYS A 23 9.517 -5.100 8.510 1.00 0.00 C ATOM 224 CG LYS A 23 8.140 -5.736 8.424 1.00 0.00 C ATOM 225 CD LYS A 23 7.100 -4.931 9.190 1.00 0.00 C ATOM 226 CE LYS A 23 5.986 -4.439 8.276 1.00 0.00 C ATOM 227 NZ LYS A 23 6.384 -3.224 7.507 1.00 0.00 N ATOM 0 H LYS A 23 10.874 -5.014 6.246 1.00 0.00 H new ATOM 0 HA LYS A 23 8.741 -3.384 7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.270 -5.851 8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.698 -4.783 9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.841 -5.816 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.182 -6.750 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.675 -5.546 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.580 -4.079 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.711 -5.233 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.101 -4.216 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.532 -2.731 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.932 -2.589 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.965 -3.504 6.692 1.00 0.00 H new ATOM 241 N ASP A 24 10.299 -1.685 8.378 1.00 0.00 N ATOM 242 CA ASP A 24 11.179 -0.660 8.929 1.00 0.00 C ATOM 243 C ASP A 24 11.129 -0.656 10.454 1.00 0.00 C ATOM 244 O ASP A 24 10.052 -0.561 11.045 1.00 0.00 O ATOM 245 CB ASP A 24 10.792 0.722 8.393 1.00 0.00 C ATOM 246 CG ASP A 24 11.951 1.438 7.724 1.00 0.00 C ATOM 247 OD1 ASP A 24 13.082 1.368 8.253 1.00 0.00 O ATOM 248 OD2 ASP A 24 11.727 2.071 6.671 1.00 0.00 O ATOM 0 H ASP A 24 9.352 -1.363 8.177 1.00 0.00 H new ATOM 0 HA ASP A 24 12.197 -0.892 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.976 0.614 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.418 1.334 9.214 1.00 0.00 H new ATOM 253 N SER A 25 12.305 -0.762 11.081 1.00 0.00 N ATOM 254 CA SER A 25 12.418 -0.775 12.541 1.00 0.00 C ATOM 255 C SER A 25 11.621 -1.932 13.154 1.00 0.00 C ATOM 256 O SER A 25 11.017 -2.737 12.440 1.00 0.00 O ATOM 257 CB SER A 25 11.961 0.573 13.128 1.00 0.00 C ATOM 258 OG SER A 25 10.581 0.562 13.462 1.00 0.00 O ATOM 0 H SER A 25 13.198 -0.841 10.594 1.00 0.00 H new ATOM 0 HA SER A 25 13.467 -0.927 12.794 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.548 0.800 14.018 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.154 1.368 12.407 1.00 0.00 H new ATOM 0 HG SER A 25 10.055 0.315 12.673 1.00 0.00 H new ATOM 264 N SER A 26 11.623 -2.006 14.485 1.00 0.00 N ATOM 265 CA SER A 26 10.899 -3.054 15.200 1.00 0.00 C ATOM 266 C SER A 26 9.427 -2.682 15.382 1.00 0.00 C ATOM 267 O SER A 26 8.585 -3.554 15.602 1.00 0.00 O ATOM 268 CB SER A 26 11.541 -3.313 16.565 1.00 0.00 C ATOM 269 OG SER A 26 12.657 -4.180 16.451 1.00 0.00 O ATOM 0 H SER A 26 12.119 -1.351 15.089 1.00 0.00 H new ATOM 0 HA SER A 26 10.954 -3.963 14.601 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.855 -2.368 17.007 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.805 -3.751 17.239 1.00 0.00 H new ATOM 0 HG SER A 26 13.049 -4.327 17.337 1.00 0.00 H new ATOM 275 N SER A 27 9.122 -1.384 15.291 1.00 0.00 N ATOM 276 CA SER A 27 7.750 -0.904 15.445 1.00 0.00 C ATOM 277 C SER A 27 7.001 -0.912 14.107 1.00 0.00 C ATOM 278 O SER A 27 5.771 -0.863 14.081 1.00 0.00 O ATOM 279 CB SER A 27 7.747 0.512 16.032 1.00 0.00 C ATOM 280 OG SER A 27 8.737 0.658 17.035 1.00 0.00 O ATOM 0 H SER A 27 9.807 -0.650 15.112 1.00 0.00 H new ATOM 0 HA SER A 27 7.236 -1.581 16.127 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.922 1.237 15.237 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.766 0.731 16.453 1.00 0.00 H new ATOM 0 HG SER A 27 8.712 1.571 17.389 1.00 0.00 H new ATOM 286 N GLY A 28 7.747 -0.959 12.999 1.00 0.00 N ATOM 287 CA GLY A 28 7.128 -0.957 11.683 1.00 0.00 C ATOM 288 C GLY A 28 6.721 0.439 11.239 1.00 0.00 C ATOM 289 O GLY A 28 5.810 0.593 10.423 1.00 0.00 O ATOM 0 H GLY A 28 8.766 -0.998 12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.823 -1.379 10.957 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.250 -1.602 11.696 1.00 0.00 H new ATOM 293 N ARG A 29 7.402 1.456 11.775 1.00 0.00 N ATOM 294 CA ARG A 29 7.113 2.845 11.431 1.00 0.00 C ATOM 295 C ARG A 29 8.120 3.360 10.411 1.00 0.00 C ATOM 296 O ARG A 29 9.330 3.200 10.583 1.00 0.00 O ATOM 297 CB ARG A 29 7.139 3.731 12.682 1.00 0.00 C ATOM 298 CG ARG A 29 6.133 3.325 13.747 1.00 0.00 C ATOM 299 CD ARG A 29 6.564 3.790 15.129 1.00 0.00 C ATOM 300 NE ARG A 29 6.035 5.116 15.456 1.00 0.00 N ATOM 301 CZ ARG A 29 4.786 5.342 15.872 1.00 0.00 C ATOM 302 NH1 ARG A 29 3.922 4.335 15.999 1.00 0.00 N ATOM 303 NH2 ARG A 29 4.396 6.580 16.159 1.00 0.00 N ATOM 0 H ARG A 29 8.158 1.340 12.450 1.00 0.00 H new ATOM 0 HA ARG A 29 6.114 2.885 10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.140 3.704 13.113 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.946 4.763 12.388 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.158 3.749 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.019 2.241 13.746 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.224 3.071 15.875 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.653 3.812 15.180 1.00 0.00 H new ATOM 0 HE ARG A 29 6.659 5.917 15.360 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.213 3.383 15.778 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.970 4.517 16.317 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.050 7.356 16.061 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.442 6.754 16.477 1.00 0.00 H new ATOM 317 N GLN A 30 7.607 3.973 9.348 1.00 0.00 N ATOM 318 CA GLN A 30 8.450 4.512 8.284 1.00 0.00 C ATOM 319 C GLN A 30 7.709 5.591 7.495 1.00 0.00 C ATOM 320 O GLN A 30 6.570 5.933 7.814 1.00 0.00 O ATOM 321 CB GLN A 30 8.890 3.382 7.345 1.00 0.00 C ATOM 322 CG GLN A 30 7.730 2.615 6.724 1.00 0.00 C ATOM 323 CD GLN A 30 8.145 1.260 6.180 1.00 0.00 C ATOM 324 OE1 GLN A 30 7.652 0.223 6.624 1.00 0.00 O ATOM 325 NE2 GLN A 30 9.056 1.260 5.213 1.00 0.00 N ATOM 0 H GLN A 30 6.607 4.109 9.200 1.00 0.00 H new ATOM 0 HA GLN A 30 9.331 4.966 8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.504 3.802 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.519 2.686 7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.949 2.477 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.298 3.208 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.439 2.142 4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.372 0.378 4.810 1.00 0.00 H new ATOM 334 N LEU A 31 8.360 6.122 6.460 1.00 0.00 N ATOM 335 CA LEU A 31 7.758 7.159 5.619 1.00 0.00 C ATOM 336 C LEU A 31 6.447 6.674 4.999 1.00 0.00 C ATOM 337 O LEU A 31 5.484 7.433 4.896 1.00 0.00 O ATOM 338 CB LEU A 31 8.729 7.594 4.511 1.00 0.00 C ATOM 339 CG LEU A 31 9.374 6.459 3.705 1.00 0.00 C ATOM 340 CD1 LEU A 31 9.367 6.785 2.221 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.795 6.202 4.188 1.00 0.00 C ATOM 0 H LEU A 31 9.304 5.852 6.183 1.00 0.00 H new ATOM 0 HA LEU A 31 7.543 8.016 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.194 8.246 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.522 8.190 4.962 1.00 0.00 H new ATOM 0 HG LEU A 31 8.788 5.553 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.829 5.968 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.339 6.918 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.928 7.703 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.237 5.394 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.391 7.106 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.776 5.921 5.241 1.00 0.00 H new ATOM 353 N SER A 32 6.419 5.400 4.594 1.00 0.00 N ATOM 354 CA SER A 32 5.229 4.803 3.982 1.00 0.00 C ATOM 355 C SER A 32 4.085 4.617 4.989 1.00 0.00 C ATOM 356 O SER A 32 2.992 4.191 4.611 1.00 0.00 O ATOM 357 CB SER A 32 5.581 3.456 3.346 1.00 0.00 C ATOM 358 OG SER A 32 4.688 3.140 2.290 1.00 0.00 O ATOM 0 H SER A 32 7.210 4.761 4.680 1.00 0.00 H new ATOM 0 HA SER A 32 4.883 5.495 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.602 3.486 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.545 2.673 4.103 1.00 0.00 H new ATOM 0 HG SER A 32 3.769 3.335 2.569 1.00 0.00 H new ATOM 364 N GLU A 33 4.327 4.937 6.267 1.00 0.00 N ATOM 365 CA GLU A 33 3.298 4.797 7.297 1.00 0.00 C ATOM 366 C GLU A 33 2.043 5.597 6.937 1.00 0.00 C ATOM 367 O GLU A 33 0.936 5.231 7.332 1.00 0.00 O ATOM 368 CB GLU A 33 3.833 5.246 8.656 1.00 0.00 C ATOM 369 CG GLU A 33 2.987 4.778 9.829 1.00 0.00 C ATOM 370 CD GLU A 33 1.898 5.767 10.201 1.00 0.00 C ATOM 371 OE1 GLU A 33 2.212 6.964 10.374 1.00 0.00 O ATOM 372 OE2 GLU A 33 0.728 5.343 10.321 1.00 0.00 O ATOM 0 H GLU A 33 5.221 5.292 6.607 1.00 0.00 H new ATOM 0 HA GLU A 33 3.027 3.743 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.849 4.870 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.891 6.334 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.532 3.819 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.631 4.612 10.692 1.00 0.00 H new ATOM 379 N VAL A 34 2.218 6.679 6.171 1.00 0.00 N ATOM 380 CA VAL A 34 1.098 7.511 5.748 1.00 0.00 C ATOM 381 C VAL A 34 0.103 6.716 4.899 1.00 0.00 C ATOM 382 O VAL A 34 -1.091 7.016 4.890 1.00 0.00 O ATOM 383 CB VAL A 34 1.580 8.738 4.947 1.00 0.00 C ATOM 384 CG1 VAL A 34 2.207 9.766 5.878 1.00 0.00 C ATOM 385 CG2 VAL A 34 2.555 8.332 3.846 1.00 0.00 C ATOM 0 H VAL A 34 3.127 6.995 5.834 1.00 0.00 H new ATOM 0 HA VAL A 34 0.599 7.852 6.655 1.00 0.00 H new ATOM 0 HB VAL A 34 0.713 9.191 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.542 10.626 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.469 10.089 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.059 9.320 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.876 9.219 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.423 7.845 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.063 7.642 3.161 1.00 0.00 H new ATOM 395 N PHE A 35 0.600 5.698 4.192 1.00 0.00 N ATOM 396 CA PHE A 35 -0.248 4.856 3.351 1.00 0.00 C ATOM 397 C PHE A 35 -0.825 3.676 4.140 1.00 0.00 C ATOM 398 O PHE A 35 -1.733 2.996 3.663 1.00 0.00 O ATOM 399 CB PHE A 35 0.539 4.335 2.146 1.00 0.00 C ATOM 400 CG PHE A 35 0.986 5.416 1.198 1.00 0.00 C ATOM 401 CD1 PHE A 35 2.207 6.051 1.373 1.00 0.00 C ATOM 402 CD2 PHE A 35 0.184 5.796 0.133 1.00 0.00 C ATOM 403 CE1 PHE A 35 2.617 7.042 0.504 1.00 0.00 C ATOM 404 CE2 PHE A 35 0.591 6.788 -0.738 1.00 0.00 C ATOM 405 CZ PHE A 35 1.809 7.412 -0.553 1.00 0.00 C ATOM 0 H PHE A 35 1.586 5.438 4.187 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.076 5.472 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.415 3.793 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.079 3.620 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.844 5.767 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.769 5.311 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.570 7.528 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.043 7.076 -1.564 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.129 8.187 -1.233 1.00 0.00 H new ATOM 415 N ILE A 36 -0.299 3.435 5.346 1.00 0.00 N ATOM 416 CA ILE A 36 -0.778 2.338 6.185 1.00 0.00 C ATOM 417 C ILE A 36 -2.104 2.699 6.863 1.00 0.00 C ATOM 418 O ILE A 36 -2.955 1.834 7.061 1.00 0.00 O ATOM 419 CB ILE A 36 0.258 1.947 7.268 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.628 1.685 6.633 1.00 0.00 C ATOM 421 CG2 ILE A 36 -0.212 0.720 8.043 1.00 0.00 C ATOM 422 CD1 ILE A 36 2.700 1.302 7.633 1.00 0.00 C ATOM 0 H ILE A 36 0.455 3.984 5.759 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.931 1.484 5.525 1.00 0.00 H new ATOM 0 HB ILE A 36 0.354 2.779 7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.530 0.888 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.947 2.579 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.529 0.461 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.164 0.938 8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.338 -0.117 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.641 1.132 7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.827 2.107 8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.404 0.391 8.153 1.00 0.00 H new ATOM 434 N GLN A 37 -2.271 3.978 7.215 1.00 0.00 N ATOM 435 CA GLN A 37 -3.494 4.444 7.871 1.00 0.00 C ATOM 436 C GLN A 37 -4.175 5.543 7.052 1.00 0.00 C ATOM 437 O GLN A 37 -3.573 6.584 6.776 1.00 0.00 O ATOM 438 CB GLN A 37 -3.173 4.966 9.275 1.00 0.00 C ATOM 439 CG GLN A 37 -3.971 4.288 10.380 1.00 0.00 C ATOM 440 CD GLN A 37 -3.139 3.305 11.184 1.00 0.00 C ATOM 441 OE1 GLN A 37 -2.907 3.502 12.376 1.00 0.00 O ATOM 442 NE2 GLN A 37 -2.684 2.239 10.532 1.00 0.00 N ATOM 0 H GLN A 37 -1.575 4.707 7.056 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.179 3.599 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.110 4.827 9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.365 6.038 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.376 5.048 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.820 3.765 9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.901 2.115 9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.118 1.545 11.021 1.00 0.00 H new ATOM 451 N LEU A 38 -5.433 5.310 6.672 1.00 0.00 N ATOM 452 CA LEU A 38 -6.199 6.284 5.889 1.00 0.00 C ATOM 453 C LEU A 38 -7.205 7.027 6.771 1.00 0.00 C ATOM 454 O LEU A 38 -7.818 6.431 7.659 1.00 0.00 O ATOM 455 CB LEU A 38 -6.941 5.595 4.740 1.00 0.00 C ATOM 456 CG LEU A 38 -6.067 5.176 3.555 1.00 0.00 C ATOM 457 CD1 LEU A 38 -6.752 4.081 2.752 1.00 0.00 C ATOM 458 CD2 LEU A 38 -5.756 6.370 2.667 1.00 0.00 C ATOM 0 H LEU A 38 -5.944 4.455 6.894 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.491 7.003 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.442 4.710 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.719 6.267 4.377 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.127 4.786 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.118 3.794 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.923 3.214 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.707 4.449 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.134 6.050 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.686 6.792 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.225 7.125 3.246 1.00 0.00 H new ATOM 470 N PRO A 39 -7.390 8.342 6.533 1.00 0.00 N ATOM 471 CA PRO A 39 -8.330 9.168 7.308 1.00 0.00 C ATOM 472 C PRO A 39 -9.796 8.827 7.018 1.00 0.00 C ATOM 473 O PRO A 39 -10.091 7.960 6.193 1.00 0.00 O ATOM 474 CB PRO A 39 -8.010 10.594 6.848 1.00 0.00 C ATOM 475 CG PRO A 39 -7.453 10.431 5.477 1.00 0.00 C ATOM 476 CD PRO A 39 -6.700 9.130 5.490 1.00 0.00 C ATOM 0 HA PRO A 39 -8.215 9.013 8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.904 11.218 6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.292 11.073 7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.248 10.415 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.794 11.261 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.739 8.634 4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.647 9.278 5.730 1.00 0.00 H new ATOM 484 N SER A 40 -10.708 9.515 7.706 1.00 0.00 N ATOM 485 CA SER A 40 -12.143 9.290 7.531 1.00 0.00 C ATOM 486 C SER A 40 -12.700 10.111 6.367 1.00 0.00 C ATOM 487 O SER A 40 -12.066 11.062 5.905 1.00 0.00 O ATOM 488 CB SER A 40 -12.894 9.646 8.818 1.00 0.00 C ATOM 489 OG SER A 40 -12.631 8.701 9.840 1.00 0.00 O ATOM 0 H SER A 40 -10.477 10.234 8.391 1.00 0.00 H new ATOM 0 HA SER A 40 -12.288 8.234 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.597 10.640 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.965 9.683 8.619 1.00 0.00 H new ATOM 0 HG SER A 40 -13.120 8.952 10.651 1.00 0.00 H new ATOM 495 N ARG A 41 -13.896 9.740 5.905 1.00 0.00 N ATOM 496 CA ARG A 41 -14.552 10.443 4.800 1.00 0.00 C ATOM 497 C ARG A 41 -14.754 11.920 5.140 1.00 0.00 C ATOM 498 O ARG A 41 -14.576 12.789 4.286 1.00 0.00 O ATOM 499 CB ARG A 41 -15.901 9.793 4.473 1.00 0.00 C ATOM 500 CG ARG A 41 -15.783 8.528 3.636 1.00 0.00 C ATOM 501 CD ARG A 41 -15.908 7.277 4.494 1.00 0.00 C ATOM 502 NE ARG A 41 -16.061 6.069 3.683 1.00 0.00 N ATOM 503 CZ ARG A 41 -16.042 4.828 4.175 1.00 0.00 C ATOM 504 NH1 ARG A 41 -15.902 4.621 5.483 1.00 0.00 N ATOM 505 NH2 ARG A 41 -16.172 3.790 3.357 1.00 0.00 N ATOM 0 H ARG A 41 -14.431 8.956 6.279 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.905 10.372 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.415 9.555 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.522 10.514 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.558 8.524 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.824 8.521 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.024 7.180 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.765 7.378 5.159 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.190 6.182 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.808 5.414 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.889 3.669 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.286 3.942 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.158 2.841 3.731 1.00 0.00 H new ATOM 519 N LYS A 42 -15.117 12.198 6.395 1.00 0.00 N ATOM 520 CA LYS A 42 -15.331 13.574 6.848 1.00 0.00 C ATOM 521 C LYS A 42 -14.005 14.335 6.918 1.00 0.00 C ATOM 522 O LYS A 42 -13.964 15.542 6.673 1.00 0.00 O ATOM 523 CB LYS A 42 -16.015 13.595 8.220 1.00 0.00 C ATOM 524 CG LYS A 42 -17.268 12.734 8.303 1.00 0.00 C ATOM 525 CD LYS A 42 -18.493 13.477 7.794 1.00 0.00 C ATOM 526 CE LYS A 42 -19.438 12.544 7.051 1.00 0.00 C ATOM 527 NZ LYS A 42 -20.868 12.910 7.260 1.00 0.00 N ATOM 0 H LYS A 42 -15.268 11.490 7.114 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.981 14.066 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.304 13.257 8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.277 14.624 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.125 11.825 7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.431 12.427 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.017 13.936 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.182 14.285 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.210 12.571 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.274 11.520 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -21.476 12.248 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.095 12.860 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.033 13.878 6.916 1.00 0.00 H new ATOM 541 N GLU A 43 -12.923 13.623 7.248 1.00 0.00 N ATOM 542 CA GLU A 43 -11.595 14.230 7.343 1.00 0.00 C ATOM 543 C GLU A 43 -11.117 14.708 5.973 1.00 0.00 C ATOM 544 O GLU A 43 -10.563 15.800 5.848 1.00 0.00 O ATOM 545 CB GLU A 43 -10.588 13.234 7.927 1.00 0.00 C ATOM 546 CG GLU A 43 -10.543 13.231 9.447 1.00 0.00 C ATOM 547 CD GLU A 43 -9.333 13.962 9.997 1.00 0.00 C ATOM 548 OE1 GLU A 43 -9.232 15.190 9.785 1.00 0.00 O ATOM 549 OE2 GLU A 43 -8.486 13.307 10.637 1.00 0.00 O ATOM 0 H GLU A 43 -12.943 12.624 7.454 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.667 15.091 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.837 12.232 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.595 13.468 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.450 13.695 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.534 12.201 9.804 1.00 0.00 H new ATOM 556 N LEU A 44 -11.340 13.885 4.947 1.00 0.00 N ATOM 557 CA LEU A 44 -10.933 14.230 3.589 1.00 0.00 C ATOM 558 C LEU A 44 -12.054 13.939 2.590 1.00 0.00 C ATOM 559 O LEU A 44 -12.003 12.952 1.851 1.00 0.00 O ATOM 560 CB LEU A 44 -9.663 13.468 3.198 1.00 0.00 C ATOM 561 CG LEU A 44 -8.390 14.316 3.137 1.00 0.00 C ATOM 562 CD1 LEU A 44 -7.173 13.433 2.904 1.00 0.00 C ATOM 563 CD2 LEU A 44 -8.503 15.375 2.048 1.00 0.00 C ATOM 0 H LEU A 44 -11.799 12.978 5.033 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.722 15.299 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.509 12.659 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.820 13.006 2.223 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.268 14.823 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.277 14.052 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.082 12.716 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.287 12.897 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.589 15.967 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.651 14.890 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.351 16.026 2.260 1.00 0.00 H new ATOM 575 N PRO A 45 -13.085 14.806 2.548 1.00 0.00 N ATOM 576 CA PRO A 45 -14.217 14.644 1.627 1.00 0.00 C ATOM 577 C PRO A 45 -13.783 14.712 0.163 1.00 0.00 C ATOM 578 O PRO A 45 -14.319 13.997 -0.684 1.00 0.00 O ATOM 579 CB PRO A 45 -15.144 15.817 1.971 1.00 0.00 C ATOM 580 CG PRO A 45 -14.280 16.809 2.674 1.00 0.00 C ATOM 581 CD PRO A 45 -13.225 16.011 3.387 1.00 0.00 C ATOM 0 HA PRO A 45 -14.694 13.670 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.585 16.247 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.968 15.493 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.830 17.505 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.862 17.403 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.287 16.561 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.529 15.760 4.403 1.00 0.00 H new ATOM 589 N GLU A 46 -12.801 15.573 -0.126 1.00 0.00 N ATOM 590 CA GLU A 46 -12.288 15.733 -1.486 1.00 0.00 C ATOM 591 C GLU A 46 -11.659 14.434 -1.992 1.00 0.00 C ATOM 592 O GLU A 46 -11.887 14.032 -3.134 1.00 0.00 O ATOM 593 CB GLU A 46 -11.259 16.864 -1.544 1.00 0.00 C ATOM 594 CG GLU A 46 -11.853 18.248 -1.333 1.00 0.00 C ATOM 595 CD GLU A 46 -10.809 19.273 -0.935 1.00 0.00 C ATOM 596 OE1 GLU A 46 -10.540 19.405 0.277 1.00 0.00 O ATOM 597 OE2 GLU A 46 -10.260 19.942 -1.836 1.00 0.00 O ATOM 0 H GLU A 46 -12.347 16.169 0.566 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.130 15.985 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.496 16.687 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.759 16.838 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.345 18.572 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.620 18.197 -0.561 1.00 0.00 H new ATOM 604 N TYR A 47 -10.868 13.783 -1.136 1.00 0.00 N ATOM 605 CA TYR A 47 -10.211 12.529 -1.502 1.00 0.00 C ATOM 606 C TYR A 47 -11.240 11.464 -1.874 1.00 0.00 C ATOM 607 O TYR A 47 -11.070 10.749 -2.860 1.00 0.00 O ATOM 608 CB TYR A 47 -9.328 12.028 -0.358 1.00 0.00 C ATOM 609 CG TYR A 47 -8.080 11.316 -0.830 1.00 0.00 C ATOM 610 CD1 TYR A 47 -8.144 10.027 -1.349 1.00 0.00 C ATOM 611 CD2 TYR A 47 -6.837 11.932 -0.759 1.00 0.00 C ATOM 612 CE1 TYR A 47 -7.006 9.375 -1.783 1.00 0.00 C ATOM 613 CE2 TYR A 47 -5.695 11.287 -1.190 1.00 0.00 C ATOM 614 CZ TYR A 47 -5.784 10.009 -1.701 1.00 0.00 C ATOM 615 OH TYR A 47 -4.649 9.362 -2.133 1.00 0.00 O ATOM 0 H TYR A 47 -10.668 14.103 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.582 12.722 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.041 12.874 0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.908 11.351 0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.099 9.528 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.763 12.933 -0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.073 8.375 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.737 11.781 -1.127 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.881 8.743 -2.857 1.00 0.00 H new ATOM 625 N TYR A 48 -12.311 11.371 -1.083 1.00 0.00 N ATOM 626 CA TYR A 48 -13.373 10.399 -1.338 1.00 0.00 C ATOM 627 C TYR A 48 -14.022 10.644 -2.702 1.00 0.00 C ATOM 628 O TYR A 48 -14.391 9.698 -3.399 1.00 0.00 O ATOM 629 CB TYR A 48 -14.432 10.466 -0.233 1.00 0.00 C ATOM 630 CG TYR A 48 -15.323 9.242 -0.154 1.00 0.00 C ATOM 631 CD1 TYR A 48 -14.820 8.016 0.266 1.00 0.00 C ATOM 632 CD2 TYR A 48 -16.671 9.317 -0.489 1.00 0.00 C ATOM 633 CE1 TYR A 48 -15.633 6.902 0.347 1.00 0.00 C ATOM 634 CE2 TYR A 48 -17.489 8.207 -0.408 1.00 0.00 C ATOM 635 CZ TYR A 48 -16.966 7.002 0.010 1.00 0.00 C ATOM 636 OH TYR A 48 -17.780 5.894 0.097 1.00 0.00 O ATOM 0 H TYR A 48 -12.465 11.957 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.928 9.404 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -13.932 10.601 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.055 11.346 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.777 7.933 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.085 10.259 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.226 5.956 0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.534 8.283 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.718 6.174 0.061 1.00 0.00 H new ATOM 646 N GLU A 49 -14.155 11.921 -3.075 1.00 0.00 N ATOM 647 CA GLU A 49 -14.757 12.294 -4.356 1.00 0.00 C ATOM 648 C GLU A 49 -13.857 11.893 -5.527 1.00 0.00 C ATOM 649 O GLU A 49 -14.321 11.287 -6.492 1.00 0.00 O ATOM 650 CB GLU A 49 -15.033 13.802 -4.403 1.00 0.00 C ATOM 651 CG GLU A 49 -16.023 14.280 -3.351 1.00 0.00 C ATOM 652 CD GLU A 49 -17.465 14.042 -3.755 1.00 0.00 C ATOM 653 OE1 GLU A 49 -17.934 12.890 -3.634 1.00 0.00 O ATOM 654 OE2 GLU A 49 -18.127 15.006 -4.194 1.00 0.00 O ATOM 0 H GLU A 49 -13.853 12.713 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.701 11.757 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.093 14.338 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.414 14.061 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.824 13.767 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.871 15.344 -3.172 1.00 0.00 H new ATOM 661 N LEU A 50 -12.569 12.236 -5.436 1.00 0.00 N ATOM 662 CA LEU A 50 -11.609 11.909 -6.492 1.00 0.00 C ATOM 663 C LEU A 50 -11.369 10.403 -6.567 1.00 0.00 C ATOM 664 O LEU A 50 -11.541 9.789 -7.620 1.00 0.00 O ATOM 665 CB LEU A 50 -10.282 12.642 -6.262 1.00 0.00 C ATOM 666 CG LEU A 50 -9.245 12.476 -7.379 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.416 13.559 -8.436 1.00 0.00 C ATOM 668 CD2 LEU A 50 -7.834 12.503 -6.807 1.00 0.00 C ATOM 0 H LEU A 50 -12.169 12.739 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.033 12.238 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.489 13.705 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.846 12.288 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.405 11.508 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.671 13.423 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.414 13.491 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.286 14.539 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.112 12.384 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.663 13.455 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.716 11.689 -6.091 1.00 0.00 H new ATOM 680 N ILE A 51 -10.974 9.819 -5.439 1.00 0.00 N ATOM 681 CA ILE A 51 -10.713 8.385 -5.364 1.00 0.00 C ATOM 682 C ILE A 51 -11.630 7.725 -4.334 1.00 0.00 C ATOM 683 O ILE A 51 -11.382 7.799 -3.129 1.00 0.00 O ATOM 684 CB ILE A 51 -9.236 8.087 -5.003 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.288 8.883 -5.907 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.945 6.594 -5.112 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.210 9.626 -5.149 1.00 0.00 C ATOM 0 H ILE A 51 -10.827 10.319 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.915 7.971 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.070 8.396 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.818 8.202 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.869 9.598 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.903 6.407 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.592 6.046 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.132 6.260 -6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.577 10.167 -5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.671 10.333 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.604 8.915 -4.588 1.00 0.00 H new ATOM 699 N ARG A 52 -12.692 7.080 -4.818 1.00 0.00 N ATOM 700 CA ARG A 52 -13.647 6.408 -3.941 1.00 0.00 C ATOM 701 C ARG A 52 -13.249 4.946 -3.701 1.00 0.00 C ATOM 702 O ARG A 52 -14.107 4.059 -3.648 1.00 0.00 O ATOM 703 CB ARG A 52 -15.058 6.490 -4.538 1.00 0.00 C ATOM 704 CG ARG A 52 -16.126 6.889 -3.532 1.00 0.00 C ATOM 705 CD ARG A 52 -17.049 5.725 -3.203 1.00 0.00 C ATOM 706 NE ARG A 52 -18.417 6.163 -2.921 1.00 0.00 N ATOM 707 CZ ARG A 52 -19.417 5.337 -2.599 1.00 0.00 C ATOM 708 NH1 ARG A 52 -19.209 4.024 -2.517 1.00 0.00 N ATOM 709 NH2 ARG A 52 -20.629 5.824 -2.358 1.00 0.00 N ATOM 0 H ARG A 52 -12.911 7.010 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.640 6.916 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.055 7.210 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.318 5.522 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.651 7.247 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.712 7.717 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.059 5.025 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.657 5.186 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.620 7.161 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.281 3.642 -2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.978 3.400 -2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.796 6.828 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.392 5.194 -2.112 1.00 0.00 H new ATOM 723 N LYS A 53 -11.944 4.703 -3.546 1.00 0.00 N ATOM 724 CA LYS A 53 -11.433 3.355 -3.304 1.00 0.00 C ATOM 725 C LYS A 53 -9.989 3.390 -2.782 1.00 0.00 C ATOM 726 O LYS A 53 -9.104 2.734 -3.337 1.00 0.00 O ATOM 727 CB LYS A 53 -11.512 2.520 -4.589 1.00 0.00 C ATOM 728 CG LYS A 53 -10.831 3.171 -5.786 1.00 0.00 C ATOM 729 CD LYS A 53 -11.227 2.495 -7.088 1.00 0.00 C ATOM 730 CE LYS A 53 -10.617 3.203 -8.289 1.00 0.00 C ATOM 731 NZ LYS A 53 -11.566 3.281 -9.433 1.00 0.00 N ATOM 0 H LYS A 53 -11.224 5.424 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.056 2.892 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.056 1.547 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.560 2.341 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.098 4.227 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.749 3.120 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.902 1.455 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.313 2.488 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.314 4.209 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.716 2.676 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.110 3.770 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.836 2.320 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.416 3.807 -9.144 1.00 0.00 H new ATOM 745 N PRO A 54 -9.729 4.152 -1.700 1.00 0.00 N ATOM 746 CA PRO A 54 -8.391 4.254 -1.117 1.00 0.00 C ATOM 747 C PRO A 54 -8.053 3.055 -0.234 1.00 0.00 C ATOM 748 O PRO A 54 -8.646 2.866 0.831 1.00 0.00 O ATOM 749 CB PRO A 54 -8.474 5.539 -0.296 1.00 0.00 C ATOM 750 CG PRO A 54 -9.898 5.619 0.135 1.00 0.00 C ATOM 751 CD PRO A 54 -10.713 4.968 -0.955 1.00 0.00 C ATOM 0 HA PRO A 54 -7.605 4.268 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.802 5.506 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.190 6.408 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.045 5.108 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.202 6.656 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.511 4.352 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.184 5.711 -1.599 1.00 0.00 H new ATOM 759 N VAL A 55 -7.098 2.246 -0.689 1.00 0.00 N ATOM 760 CA VAL A 55 -6.675 1.063 0.053 1.00 0.00 C ATOM 761 C VAL A 55 -5.359 1.329 0.778 1.00 0.00 C ATOM 762 O VAL A 55 -4.430 1.903 0.208 1.00 0.00 O ATOM 763 CB VAL A 55 -6.516 -0.166 -0.873 1.00 0.00 C ATOM 764 CG1 VAL A 55 -6.229 -1.423 -0.058 1.00 0.00 C ATOM 765 CG2 VAL A 55 -7.763 -0.354 -1.733 1.00 0.00 C ATOM 0 H VAL A 55 -6.603 2.390 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.454 0.843 0.782 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.667 0.011 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.121 -2.275 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.307 -1.287 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.054 -1.606 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.633 -1.223 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.629 -0.506 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.919 0.533 -2.347 1.00 0.00 H new ATOM 775 N ASP A 56 -5.295 0.913 2.039 1.00 0.00 N ATOM 776 CA ASP A 56 -4.100 1.107 2.856 1.00 0.00 C ATOM 777 C ASP A 56 -3.529 -0.230 3.323 1.00 0.00 C ATOM 778 O ASP A 56 -4.158 -1.279 3.155 1.00 0.00 O ATOM 779 CB ASP A 56 -4.413 1.998 4.068 1.00 0.00 C ATOM 780 CG ASP A 56 -5.736 1.664 4.745 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.157 0.492 4.695 1.00 0.00 O ATOM 782 OD2 ASP A 56 -6.347 2.577 5.333 1.00 0.00 O ATOM 0 H ASP A 56 -6.059 0.438 2.519 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.351 1.602 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.608 1.903 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.431 3.040 3.748 1.00 0.00 H new ATOM 787 N PHE A 57 -2.330 -0.185 3.907 1.00 0.00 N ATOM 788 CA PHE A 57 -1.661 -1.391 4.398 1.00 0.00 C ATOM 789 C PHE A 57 -2.480 -2.092 5.480 1.00 0.00 C ATOM 790 O PHE A 57 -2.494 -3.321 5.548 1.00 0.00 O ATOM 791 CB PHE A 57 -0.258 -1.064 4.929 1.00 0.00 C ATOM 792 CG PHE A 57 0.829 -1.946 4.368 1.00 0.00 C ATOM 793 CD1 PHE A 57 1.098 -1.959 3.008 1.00 0.00 C ATOM 794 CD2 PHE A 57 1.581 -2.763 5.201 1.00 0.00 C ATOM 795 CE1 PHE A 57 2.094 -2.768 2.490 1.00 0.00 C ATOM 796 CE2 PHE A 57 2.578 -3.572 4.688 1.00 0.00 C ATOM 797 CZ PHE A 57 2.834 -3.575 3.331 1.00 0.00 C ATOM 0 H PHE A 57 -1.802 0.675 4.052 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.568 -2.071 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.025 -0.025 4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.261 -1.154 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.523 -1.330 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.385 -2.767 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.292 -2.768 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.156 -4.201 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.611 -4.207 2.928 1.00 0.00 H new ATOM 807 N LYS A 58 -3.161 -1.314 6.321 1.00 0.00 N ATOM 808 CA LYS A 58 -3.980 -1.881 7.393 1.00 0.00 C ATOM 809 C LYS A 58 -5.081 -2.780 6.825 1.00 0.00 C ATOM 810 O LYS A 58 -5.308 -3.877 7.330 1.00 0.00 O ATOM 811 CB LYS A 58 -4.585 -0.773 8.265 1.00 0.00 C ATOM 812 CG LYS A 58 -5.355 0.270 7.479 1.00 0.00 C ATOM 813 CD LYS A 58 -5.577 1.536 8.296 1.00 0.00 C ATOM 814 CE LYS A 58 -6.833 1.442 9.149 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.073 1.567 8.333 1.00 0.00 N ATOM 0 H LYS A 58 -3.162 -0.295 6.282 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.331 -2.493 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.250 -1.225 9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.785 -0.281 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.810 0.515 6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.318 -0.141 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.714 1.711 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.655 2.392 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.842 0.489 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.817 2.226 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.888 1.719 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.981 2.374 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.217 0.695 7.784 1.00 0.00 H new ATOM 829 N LYS A 59 -5.751 -2.316 5.768 1.00 0.00 N ATOM 830 CA LYS A 59 -6.817 -3.097 5.133 1.00 0.00 C ATOM 831 C LYS A 59 -6.259 -4.386 4.531 1.00 0.00 C ATOM 832 O LYS A 59 -6.857 -5.452 4.672 1.00 0.00 O ATOM 833 CB LYS A 59 -7.530 -2.283 4.045 1.00 0.00 C ATOM 834 CG LYS A 59 -8.991 -1.994 4.362 1.00 0.00 C ATOM 835 CD LYS A 59 -9.338 -0.526 4.153 1.00 0.00 C ATOM 836 CE LYS A 59 -10.169 0.024 5.305 1.00 0.00 C ATOM 837 NZ LYS A 59 -11.501 -0.643 5.412 1.00 0.00 N ATOM 0 H LYS A 59 -5.577 -1.409 5.335 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.542 -3.351 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.003 -1.339 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.471 -2.824 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.629 -2.611 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.200 -2.273 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.421 0.055 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.889 -0.411 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.623 -0.108 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.312 1.096 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.037 -0.224 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.028 -0.511 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.367 -1.659 5.587 1.00 0.00 H new ATOM 851 N ILE A 60 -5.109 -4.282 3.864 1.00 0.00 N ATOM 852 CA ILE A 60 -4.475 -5.444 3.247 1.00 0.00 C ATOM 853 C ILE A 60 -3.957 -6.413 4.311 1.00 0.00 C ATOM 854 O ILE A 60 -4.260 -7.605 4.268 1.00 0.00 O ATOM 855 CB ILE A 60 -3.309 -5.043 2.310 1.00 0.00 C ATOM 856 CG1 ILE A 60 -3.762 -3.975 1.306 1.00 0.00 C ATOM 857 CG2 ILE A 60 -2.770 -6.266 1.577 1.00 0.00 C ATOM 858 CD1 ILE A 60 -2.621 -3.165 0.726 1.00 0.00 C ATOM 0 H ILE A 60 -4.600 -3.407 3.738 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.242 -5.935 2.648 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.510 -4.623 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.303 -4.459 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.463 -3.300 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.951 -5.967 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.407 -6.994 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.566 -6.713 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.016 -2.430 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.093 -2.652 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.931 -3.829 0.205 1.00 0.00 H new ATOM 870 N LYS A 61 -3.180 -5.895 5.266 1.00 0.00 N ATOM 871 CA LYS A 61 -2.624 -6.722 6.340 1.00 0.00 C ATOM 872 C LYS A 61 -3.729 -7.391 7.160 1.00 0.00 C ATOM 873 O LYS A 61 -3.597 -8.551 7.554 1.00 0.00 O ATOM 874 CB LYS A 61 -1.722 -5.887 7.257 1.00 0.00 C ATOM 875 CG LYS A 61 -0.259 -5.882 6.834 1.00 0.00 C ATOM 876 CD LYS A 61 0.662 -6.230 7.995 1.00 0.00 C ATOM 877 CE LYS A 61 1.915 -5.367 7.994 1.00 0.00 C ATOM 878 NZ LYS A 61 1.759 -4.158 8.851 1.00 0.00 N ATOM 0 H LYS A 61 -2.922 -4.909 5.317 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.026 -7.504 5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.089 -4.861 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.796 -6.272 8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.111 -6.597 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.004 -4.899 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.128 -6.097 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.944 -7.281 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.761 -5.956 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.144 -5.061 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.634 -3.597 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.968 -3.582 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.566 -4.449 9.830 1.00 0.00 H new ATOM 892 N GLU A 62 -4.816 -6.661 7.414 1.00 0.00 N ATOM 893 CA GLU A 62 -5.936 -7.202 8.181 1.00 0.00 C ATOM 894 C GLU A 62 -6.693 -8.254 7.370 1.00 0.00 C ATOM 895 O GLU A 62 -7.064 -9.304 7.899 1.00 0.00 O ATOM 896 CB GLU A 62 -6.888 -6.081 8.614 1.00 0.00 C ATOM 897 CG GLU A 62 -6.361 -5.251 9.778 1.00 0.00 C ATOM 898 CD GLU A 62 -6.878 -5.727 11.124 1.00 0.00 C ATOM 899 OE1 GLU A 62 -6.728 -6.931 11.429 1.00 0.00 O ATOM 900 OE2 GLU A 62 -7.429 -4.895 11.876 1.00 0.00 O ATOM 0 H GLU A 62 -4.943 -5.699 7.101 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.532 -7.679 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.073 -5.424 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.847 -6.517 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.272 -5.287 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.646 -4.209 9.633 1.00 0.00 H new ATOM 907 N ARG A 63 -6.917 -7.974 6.083 1.00 0.00 N ATOM 908 CA ARG A 63 -7.627 -8.907 5.209 1.00 0.00 C ATOM 909 C ARG A 63 -6.827 -10.195 5.015 1.00 0.00 C ATOM 910 O ARG A 63 -7.374 -11.293 5.124 1.00 0.00 O ATOM 911 CB ARG A 63 -7.914 -8.263 3.847 1.00 0.00 C ATOM 912 CG ARG A 63 -9.164 -7.392 3.826 1.00 0.00 C ATOM 913 CD ARG A 63 -9.968 -7.602 2.551 1.00 0.00 C ATOM 914 NE ARG A 63 -10.434 -6.339 1.972 1.00 0.00 N ATOM 915 CZ ARG A 63 -10.948 -6.225 0.744 1.00 0.00 C ATOM 916 NH1 ARG A 63 -11.055 -7.292 -0.046 1.00 0.00 N ATOM 917 NH2 ARG A 63 -11.356 -5.039 0.302 1.00 0.00 N ATOM 0 H ARG A 63 -6.618 -7.112 5.626 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.573 -9.155 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.056 -7.657 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.019 -9.049 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.785 -7.624 4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.879 -6.343 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.355 -8.129 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.826 -8.239 2.766 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.362 -5.496 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.743 -8.205 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.449 -7.196 -0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.276 -4.217 0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.748 -4.952 -0.635 1.00 0.00 H new ATOM 931 N ILE A 64 -5.529 -10.058 4.731 1.00 0.00 N ATOM 932 CA ILE A 64 -4.664 -11.220 4.527 1.00 0.00 C ATOM 933 C ILE A 64 -4.559 -12.068 5.797 1.00 0.00 C ATOM 934 O ILE A 64 -4.331 -13.276 5.721 1.00 0.00 O ATOM 935 CB ILE A 64 -3.243 -10.824 4.062 1.00 0.00 C ATOM 936 CG1 ILE A 64 -2.504 -10.047 5.160 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.303 -10.010 2.777 1.00 0.00 C ATOM 938 CD1 ILE A 64 -1.080 -9.682 4.795 1.00 0.00 C ATOM 0 H ILE A 64 -5.057 -9.159 4.638 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.132 -11.807 3.737 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.687 -11.740 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.058 -9.135 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.494 -10.644 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.292 -9.742 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.777 -10.601 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.882 -9.103 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.622 -9.135 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.510 -10.591 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.082 -9.058 3.902 1.00 0.00 H new ATOM 950 N ARG A 65 -4.734 -11.431 6.960 1.00 0.00 N ATOM 951 CA ARG A 65 -4.667 -12.134 8.242 1.00 0.00 C ATOM 952 C ARG A 65 -5.673 -13.288 8.287 1.00 0.00 C ATOM 953 O ARG A 65 -5.413 -14.324 8.901 1.00 0.00 O ATOM 954 CB ARG A 65 -4.932 -11.161 9.397 1.00 0.00 C ATOM 955 CG ARG A 65 -4.114 -11.451 10.644 1.00 0.00 C ATOM 956 CD ARG A 65 -4.934 -11.237 11.909 1.00 0.00 C ATOM 957 NE ARG A 65 -4.092 -11.118 13.101 1.00 0.00 N ATOM 958 CZ ARG A 65 -4.542 -10.723 14.297 1.00 0.00 C ATOM 959 NH1 ARG A 65 -5.824 -10.409 14.466 1.00 0.00 N ATOM 960 NH2 ARG A 65 -3.706 -10.644 15.326 1.00 0.00 N ATOM 0 H ARG A 65 -4.923 -10.432 7.038 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.664 -12.548 8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.718 -10.146 9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.991 -11.195 9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.752 -12.479 10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.237 -10.805 10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.537 -10.335 11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.626 -12.070 12.037 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.103 -11.350 13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.472 -10.469 13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.159 -10.109 15.381 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.722 -10.884 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.048 -10.343 16.239 1.00 0.00 H new ATOM 974 N ASN A 66 -6.818 -13.101 7.625 1.00 0.00 N ATOM 975 CA ASN A 66 -7.861 -14.124 7.576 1.00 0.00 C ATOM 976 C ASN A 66 -7.750 -14.979 6.305 1.00 0.00 C ATOM 977 O ASN A 66 -8.674 -15.723 5.972 1.00 0.00 O ATOM 978 CB ASN A 66 -9.246 -13.470 7.640 1.00 0.00 C ATOM 979 CG ASN A 66 -9.360 -12.450 8.760 1.00 0.00 C ATOM 980 OD1 ASN A 66 -9.265 -12.794 9.939 1.00 0.00 O ATOM 981 ND2 ASN A 66 -9.564 -11.187 8.399 1.00 0.00 N ATOM 0 H ASN A 66 -7.045 -12.247 7.115 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.726 -14.777 8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.458 -12.984 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.002 -14.243 7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.648 -10.461 9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.637 -10.944 7.411 1.00 0.00 H new ATOM 988 N HIS A 67 -6.618 -14.862 5.597 1.00 0.00 N ATOM 989 CA HIS A 67 -6.383 -15.611 4.363 1.00 0.00 C ATOM 990 C HIS A 67 -7.345 -15.161 3.261 1.00 0.00 C ATOM 991 O HIS A 67 -7.948 -15.985 2.568 1.00 0.00 O ATOM 992 CB HIS A 67 -6.516 -17.121 4.608 1.00 0.00 C ATOM 993 CG HIS A 67 -5.719 -17.614 5.776 1.00 0.00 C ATOM 994 ND1 HIS A 67 -6.271 -17.846 7.019 1.00 0.00 N ATOM 995 CD2 HIS A 67 -4.405 -17.920 5.887 1.00 0.00 C ATOM 996 CE1 HIS A 67 -5.331 -18.273 7.843 1.00 0.00 C ATOM 997 NE2 HIS A 67 -4.191 -18.327 7.179 1.00 0.00 N ATOM 0 H HIS A 67 -5.847 -14.249 5.864 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.365 -15.405 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.567 -17.363 4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -6.199 -17.655 3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.664 -17.856 5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.471 -18.533 8.882 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.295 -18.624 7.565 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.480 -13.844 3.103 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.360 -13.279 2.082 1.00 0.00 C ATOM 1008 C LYS A 68 -7.683 -13.291 0.712 1.00 0.00 C ATOM 1009 O LYS A 68 -8.294 -13.673 -0.286 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.770 -11.849 2.450 1.00 0.00 C ATOM 1011 CG LYS A 68 -9.912 -11.780 3.452 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.047 -10.902 2.947 1.00 0.00 C ATOM 1013 CE LYS A 68 -12.166 -11.731 2.333 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.029 -10.923 1.424 1.00 0.00 N ATOM 0 H LYS A 68 -6.991 -13.150 3.669 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.255 -13.899 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.906 -11.327 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.061 -11.319 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.287 -12.785 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.542 -11.389 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.443 -10.309 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.663 -10.201 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.736 -12.565 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.778 -12.159 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.777 -11.527 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.461 -10.142 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.452 -10.536 0.651 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.416 -12.868 0.676 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.648 -12.828 -0.567 1.00 0.00 C ATOM 1030 C TYR A 69 -4.920 -14.147 -0.806 1.00 0.00 C ATOM 1031 O TYR A 69 -4.507 -14.822 0.141 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.635 -11.681 -0.529 1.00 0.00 C ATOM 1033 CG TYR A 69 -5.255 -10.310 -0.673 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.482 -9.758 -1.927 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -5.614 -9.566 0.447 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -6.046 -8.504 -2.064 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -6.180 -8.313 0.318 1.00 0.00 C ATOM 1038 CZ TYR A 69 -6.395 -7.785 -0.940 1.00 0.00 C ATOM 1039 OH TYR A 69 -6.957 -6.535 -1.071 1.00 0.00 O ATOM 0 H TYR A 69 -5.902 -12.548 1.497 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.348 -12.665 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.088 -11.724 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.907 -11.825 -1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.213 -10.318 -2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.447 -9.975 1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.213 -8.089 -3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.453 -7.748 1.197 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.534 -6.063 -1.818 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.762 -14.506 -2.080 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.079 -15.742 -2.455 1.00 0.00 C ATOM 1051 C ARG A 70 -2.969 -15.469 -3.470 1.00 0.00 C ATOM 1052 O ARG A 70 -1.830 -15.899 -3.281 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.080 -16.748 -3.031 1.00 0.00 C ATOM 1054 CG ARG A 70 -5.387 -17.903 -2.094 1.00 0.00 C ATOM 1055 CD ARG A 70 -6.666 -18.623 -2.492 1.00 0.00 C ATOM 1056 NE ARG A 70 -6.526 -20.077 -2.410 1.00 0.00 N ATOM 1057 CZ ARG A 70 -5.934 -20.828 -3.344 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -5.413 -20.266 -4.432 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -5.861 -22.146 -3.188 1.00 0.00 N ATOM 0 H ARG A 70 -5.099 -13.956 -2.871 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.626 -16.163 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.008 -16.228 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.686 -17.145 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.555 -18.608 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.481 -17.530 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.480 -18.300 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.938 -18.342 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.904 -20.548 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.464 -19.255 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.963 -20.846 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.257 -22.584 -2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.409 -22.720 -3.900 1.00 0.00 H new ATOM 1073 N SER A 71 -3.308 -14.755 -4.544 1.00 0.00 N ATOM 1074 CA SER A 71 -2.336 -14.429 -5.584 1.00 0.00 C ATOM 1075 C SER A 71 -1.498 -13.214 -5.190 1.00 0.00 C ATOM 1076 O SER A 71 -2.037 -12.141 -4.912 1.00 0.00 O ATOM 1077 CB SER A 71 -3.044 -14.165 -6.918 1.00 0.00 C ATOM 1078 OG SER A 71 -2.340 -14.765 -7.994 1.00 0.00 O ATOM 0 H SER A 71 -4.246 -14.393 -4.715 1.00 0.00 H new ATOM 0 HA SER A 71 -1.671 -15.285 -5.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.060 -14.558 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.124 -13.091 -7.085 1.00 0.00 H new ATOM 0 HG SER A 71 -2.811 -14.585 -8.834 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.175 -13.393 -5.175 1.00 0.00 N ATOM 1085 CA LEU A 72 0.747 -12.311 -4.822 1.00 0.00 C ATOM 1086 C LEU A 72 0.573 -11.109 -5.755 1.00 0.00 C ATOM 1087 O LEU A 72 0.724 -9.962 -5.333 1.00 0.00 O ATOM 1088 CB LEU A 72 2.202 -12.800 -4.859 1.00 0.00 C ATOM 1089 CG LEU A 72 2.624 -13.534 -6.139 1.00 0.00 C ATOM 1090 CD1 LEU A 72 4.006 -13.080 -6.584 1.00 0.00 C ATOM 1091 CD2 LEU A 72 2.600 -15.043 -5.928 1.00 0.00 C ATOM 0 H LEU A 72 0.281 -14.276 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 72 0.509 -11.995 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.859 -11.941 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.365 -13.465 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 72 1.910 -13.287 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.288 -13.611 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.991 -12.008 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.730 -13.295 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.902 -15.544 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.289 -15.309 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.591 -15.357 -5.659 1.00 0.00 H new ATOM 1103 N ASN A 73 0.248 -11.383 -7.023 1.00 0.00 N ATOM 1104 CA ASN A 73 0.044 -10.328 -8.014 1.00 0.00 C ATOM 1105 C ASN A 73 -1.072 -9.375 -7.585 1.00 0.00 C ATOM 1106 O ASN A 73 -0.957 -8.163 -7.757 1.00 0.00 O ATOM 1107 CB ASN A 73 -0.288 -10.938 -9.381 1.00 0.00 C ATOM 1108 CG ASN A 73 -0.344 -9.896 -10.486 1.00 0.00 C ATOM 1109 OD1 ASN A 73 -1.394 -9.309 -10.746 1.00 0.00 O ATOM 1110 ND2 ASN A 73 0.787 -9.663 -11.144 1.00 0.00 N ATOM 0 H ASN A 73 0.121 -12.328 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 73 0.970 -9.758 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.461 -11.689 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.247 -11.452 -9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.807 -8.975 -11.897 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.635 -10.172 -10.896 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.148 -9.930 -7.024 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.284 -9.125 -6.568 1.00 0.00 C ATOM 1119 C ASP A 74 -2.854 -8.132 -5.490 1.00 0.00 C ATOM 1120 O ASP A 74 -3.138 -6.937 -5.586 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.398 -10.027 -6.026 1.00 0.00 C ATOM 1122 CG ASP A 74 -5.648 -9.989 -6.884 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.385 -8.983 -6.816 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -5.891 -10.967 -7.622 1.00 0.00 O ATOM 0 H ASP A 74 -2.257 -10.933 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.662 -8.566 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.034 -11.053 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.649 -9.719 -5.011 1.00 0.00 H new ATOM 1129 N LEU A 75 -2.164 -8.637 -4.468 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.689 -7.801 -3.369 1.00 0.00 C ATOM 1131 C LEU A 75 -0.679 -6.764 -3.864 1.00 0.00 C ATOM 1132 O LEU A 75 -0.769 -5.586 -3.515 1.00 0.00 O ATOM 1133 CB LEU A 75 -1.063 -8.668 -2.274 1.00 0.00 C ATOM 1134 CG LEU A 75 -1.187 -8.108 -0.854 1.00 0.00 C ATOM 1135 CD1 LEU A 75 -1.658 -9.189 0.108 1.00 0.00 C ATOM 1136 CD2 LEU A 75 0.141 -7.517 -0.397 1.00 0.00 C ATOM 0 H LEU A 75 -1.922 -9.624 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.546 -7.270 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.528 -9.653 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.006 -8.808 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.931 -7.312 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.740 -8.772 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.632 -9.561 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.940 -10.009 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.035 -7.123 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.907 -8.293 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.432 -6.712 -1.071 1.00 0.00 H new ATOM 1148 N GLU A 76 0.275 -7.208 -4.685 1.00 0.00 N ATOM 1149 CA GLU A 76 1.294 -6.313 -5.234 1.00 0.00 C ATOM 1150 C GLU A 76 0.655 -5.243 -6.117 1.00 0.00 C ATOM 1151 O GLU A 76 1.012 -4.065 -6.036 1.00 0.00 O ATOM 1152 CB GLU A 76 2.332 -7.103 -6.039 1.00 0.00 C ATOM 1153 CG GLU A 76 3.771 -6.796 -5.649 1.00 0.00 C ATOM 1154 CD GLU A 76 4.352 -7.833 -4.708 1.00 0.00 C ATOM 1155 OE1 GLU A 76 4.097 -7.738 -3.488 1.00 0.00 O ATOM 1156 OE2 GLU A 76 5.061 -8.741 -5.190 1.00 0.00 O ATOM 0 H GLU A 76 0.363 -8.179 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 76 1.796 -5.824 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.148 -8.169 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.198 -6.887 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.384 -6.742 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.814 -5.815 -5.175 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.298 -5.660 -6.954 1.00 0.00 N ATOM 1164 CA LYS A 77 -0.998 -4.741 -7.848 1.00 0.00 C ATOM 1165 C LYS A 77 -1.765 -3.681 -7.054 1.00 0.00 C ATOM 1166 O LYS A 77 -1.890 -2.539 -7.497 1.00 0.00 O ATOM 1167 CB LYS A 77 -1.962 -5.511 -8.758 1.00 0.00 C ATOM 1168 CG LYS A 77 -2.390 -4.738 -9.997 1.00 0.00 C ATOM 1169 CD LYS A 77 -1.904 -5.410 -11.273 1.00 0.00 C ATOM 1170 CE LYS A 77 -2.219 -4.571 -12.503 1.00 0.00 C ATOM 1171 NZ LYS A 77 -1.270 -4.840 -13.622 1.00 0.00 N ATOM 0 H LYS A 77 -0.601 -6.631 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.252 -4.238 -8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.488 -6.442 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.849 -5.781 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.477 -4.658 -10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.996 -3.723 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.828 -5.576 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.372 -6.389 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.237 -4.780 -12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.179 -3.514 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.521 -4.248 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.301 -4.617 -13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.326 -5.843 -13.891 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.268 -4.065 -5.875 1.00 0.00 N ATOM 1186 CA ASP A 78 -3.010 -3.141 -5.021 1.00 0.00 C ATOM 1187 C ASP A 78 -2.109 -2.001 -4.557 1.00 0.00 C ATOM 1188 O ASP A 78 -2.499 -0.835 -4.603 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.594 -3.871 -3.802 1.00 0.00 C ATOM 1190 CG ASP A 78 -5.006 -4.382 -4.034 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -5.779 -3.707 -4.749 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.342 -5.457 -3.492 1.00 0.00 O ATOM 0 H ASP A 78 -2.173 -5.007 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.831 -2.729 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.948 -4.710 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.594 -3.195 -2.947 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.900 -2.349 -4.118 1.00 0.00 N ATOM 1198 CA VAL A 79 0.064 -1.356 -3.649 1.00 0.00 C ATOM 1199 C VAL A 79 0.385 -0.343 -4.749 1.00 0.00 C ATOM 1200 O VAL A 79 0.428 0.862 -4.500 1.00 0.00 O ATOM 1201 CB VAL A 79 1.379 -2.010 -3.171 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.300 -0.962 -2.565 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.098 -3.129 -2.172 1.00 0.00 C ATOM 0 H VAL A 79 -0.565 -3.312 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.400 -0.847 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 79 1.878 -2.450 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.223 -1.437 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.531 -0.204 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.807 -0.492 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.039 -3.574 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.575 -2.722 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.479 -3.892 -2.645 1.00 0.00 H new ATOM 1213 N MET A 80 0.603 -0.841 -5.967 1.00 0.00 N ATOM 1214 CA MET A 80 0.911 0.023 -7.105 1.00 0.00 C ATOM 1215 C MET A 80 -0.303 0.873 -7.491 1.00 0.00 C ATOM 1216 O MET A 80 -0.160 2.042 -7.853 1.00 0.00 O ATOM 1217 CB MET A 80 1.377 -0.807 -8.309 1.00 0.00 C ATOM 1218 CG MET A 80 2.438 -1.847 -7.972 1.00 0.00 C ATOM 1219 SD MET A 80 4.096 -1.338 -8.464 1.00 0.00 S ATOM 1220 CE MET A 80 5.053 -2.773 -7.979 1.00 0.00 C ATOM 0 H MET A 80 0.572 -1.836 -6.189 1.00 0.00 H new ATOM 0 HA MET A 80 1.720 0.690 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.515 -1.311 -8.745 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.772 -0.134 -9.070 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.425 -2.038 -6.899 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.190 -2.786 -8.466 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.940 -2.451 -7.433 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.447 -3.416 -7.341 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.355 -3.326 -8.868 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.496 0.277 -7.408 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.736 0.978 -7.749 1.00 0.00 C ATOM 1232 C LEU A 81 -3.033 2.103 -6.755 1.00 0.00 C ATOM 1233 O LEU A 81 -3.355 3.221 -7.160 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.917 -0.001 -7.784 1.00 0.00 C ATOM 1235 CG LEU A 81 -4.605 -0.144 -9.144 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -3.909 -1.202 -9.990 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -6.079 -0.485 -8.963 1.00 0.00 C ATOM 0 H LEU A 81 -1.629 -0.689 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.601 1.417 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.564 -0.983 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.658 0.322 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.535 0.810 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.413 -1.288 -10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.870 -0.915 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.945 -2.162 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.552 -0.583 -9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.171 -1.425 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.570 0.309 -8.400 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.923 1.805 -5.458 1.00 0.00 N ATOM 1250 CA LEU A 82 -3.186 2.803 -4.417 1.00 0.00 C ATOM 1251 C LEU A 82 -2.149 3.928 -4.457 1.00 0.00 C ATOM 1252 O LEU A 82 -2.488 5.095 -4.252 1.00 0.00 O ATOM 1253 CB LEU A 82 -3.224 2.159 -3.022 1.00 0.00 C ATOM 1254 CG LEU A 82 -1.965 1.391 -2.600 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -0.943 2.327 -1.968 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -2.329 0.270 -1.635 1.00 0.00 C ATOM 0 H LEU A 82 -2.655 0.886 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.167 3.233 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.411 2.942 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.072 1.476 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.517 0.954 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.060 1.758 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.660 3.095 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.377 2.798 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.426 -0.267 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.802 0.692 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.020 -0.419 -2.121 1.00 0.00 H new ATOM 1268 N CYS A 83 -0.889 3.574 -4.727 1.00 0.00 N ATOM 1269 CA CYS A 83 0.186 4.562 -4.802 1.00 0.00 C ATOM 1270 C CYS A 83 -0.085 5.564 -5.923 1.00 0.00 C ATOM 1271 O CYS A 83 0.097 6.770 -5.745 1.00 0.00 O ATOM 1272 CB CYS A 83 1.539 3.878 -5.027 1.00 0.00 C ATOM 1273 SG CYS A 83 2.532 3.695 -3.525 1.00 0.00 S ATOM 0 H CYS A 83 -0.591 2.613 -4.896 1.00 0.00 H new ATOM 0 HA CYS A 83 0.220 5.096 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.368 2.892 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.108 4.453 -5.758 1.00 0.00 H new ATOM 0 HG CYS A 83 3.654 3.105 -3.815 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.531 5.059 -7.075 1.00 0.00 N ATOM 1280 CA GLN A 84 -0.839 5.910 -8.222 1.00 0.00 C ATOM 1281 C GLN A 84 -1.989 6.866 -7.905 1.00 0.00 C ATOM 1282 O GLN A 84 -1.968 8.027 -8.317 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.192 5.055 -9.443 1.00 0.00 C ATOM 1284 CG GLN A 84 -0.708 5.647 -10.757 1.00 0.00 C ATOM 1285 CD GLN A 84 -0.635 4.618 -11.871 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -1.559 3.826 -12.063 1.00 0.00 O ATOM 1287 NE2 GLN A 84 0.467 4.624 -12.613 1.00 0.00 N ATOM 0 H GLN A 84 -0.686 4.064 -7.237 1.00 0.00 H new ATOM 0 HA GLN A 84 0.048 6.502 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.759 4.062 -9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.274 4.928 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.378 6.453 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.278 6.089 -10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.208 5.297 -12.420 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.572 3.955 -13.376 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.989 6.375 -7.167 1.00 0.00 N ATOM 1297 CA ASN A 85 -4.142 7.196 -6.793 1.00 0.00 C ATOM 1298 C ASN A 85 -3.702 8.392 -5.950 1.00 0.00 C ATOM 1299 O ASN A 85 -4.223 9.496 -6.109 1.00 0.00 O ATOM 1300 CB ASN A 85 -5.175 6.365 -6.022 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.742 5.220 -6.845 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.560 5.161 -8.062 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.438 4.300 -6.184 1.00 0.00 N ATOM 0 H ASN A 85 -3.023 5.417 -6.818 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.603 7.563 -7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.712 5.964 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.990 7.014 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.844 3.510 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.566 4.385 -5.176 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.733 8.168 -5.063 1.00 0.00 N ATOM 1311 CA ALA A 86 -2.216 9.233 -4.209 1.00 0.00 C ATOM 1312 C ALA A 86 -1.513 10.302 -5.043 1.00 0.00 C ATOM 1313 O ALA A 86 -1.663 11.497 -4.785 1.00 0.00 O ATOM 1314 CB ALA A 86 -1.266 8.668 -3.162 1.00 0.00 C ATOM 0 H ALA A 86 -2.292 7.260 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.059 9.696 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.892 9.478 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.796 7.945 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.429 8.176 -3.658 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.749 9.864 -6.045 1.00 0.00 N ATOM 1321 CA GLN A 87 -0.025 10.786 -6.919 1.00 0.00 C ATOM 1322 C GLN A 87 -0.985 11.672 -7.715 1.00 0.00 C ATOM 1323 O GLN A 87 -0.696 12.845 -7.949 1.00 0.00 O ATOM 1324 CB GLN A 87 0.887 10.013 -7.875 1.00 0.00 C ATOM 1325 CG GLN A 87 2.354 10.399 -7.755 1.00 0.00 C ATOM 1326 CD GLN A 87 3.292 9.212 -7.883 1.00 0.00 C ATOM 1327 OE1 GLN A 87 2.861 8.083 -8.126 1.00 0.00 O ATOM 1328 NE2 GLN A 87 4.587 9.461 -7.718 1.00 0.00 N ATOM 0 H GLN A 87 -0.616 8.878 -6.271 1.00 0.00 H new ATOM 0 HA GLN A 87 0.585 11.430 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.783 8.945 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.556 10.185 -8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.596 11.131 -8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.519 10.883 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.902 10.410 -7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.265 8.703 -7.791 1.00 0.00 H new ATOM 1337 N THR A 88 -2.128 11.111 -8.129 1.00 0.00 N ATOM 1338 CA THR A 88 -3.119 11.873 -8.896 1.00 0.00 C ATOM 1339 C THR A 88 -3.625 13.081 -8.096 1.00 0.00 C ATOM 1340 O THR A 88 -3.893 14.140 -8.664 1.00 0.00 O ATOM 1341 CB THR A 88 -4.302 10.985 -9.322 1.00 0.00 C ATOM 1342 OG1 THR A 88 -5.157 10.702 -8.226 1.00 0.00 O ATOM 1343 CG2 THR A 88 -3.886 9.661 -9.938 1.00 0.00 C ATOM 0 H THR A 88 -2.387 10.141 -7.948 1.00 0.00 H new ATOM 0 HA THR A 88 -2.623 12.236 -9.796 1.00 0.00 H new ATOM 0 HB THR A 88 -4.821 11.569 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.700 10.100 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.774 9.092 -10.212 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.285 9.847 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.299 9.092 -9.216 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.746 12.913 -6.776 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.211 13.988 -5.898 1.00 0.00 C ATOM 1353 C PHE A 89 -3.046 14.883 -5.455 1.00 0.00 C ATOM 1354 O PHE A 89 -3.219 16.089 -5.272 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.915 13.394 -4.668 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.668 14.405 -3.842 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -5.018 15.149 -2.870 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -7.027 14.608 -4.037 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -5.707 16.076 -2.110 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -7.720 15.532 -3.280 1.00 0.00 C ATOM 1361 CZ PHE A 89 -7.059 16.268 -2.315 1.00 0.00 C ATOM 0 H PHE A 89 -3.528 12.042 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.917 14.602 -6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.609 12.621 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.172 12.907 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.961 15.003 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.549 14.036 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.188 16.650 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.778 15.679 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.599 16.992 -1.722 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.867 14.282 -5.270 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.680 15.022 -4.834 1.00 0.00 C ATOM 1373 C ASN A 90 -0.054 15.840 -5.969 1.00 0.00 C ATOM 1374 O ASN A 90 -0.455 15.726 -7.129 1.00 0.00 O ATOM 1375 CB ASN A 90 0.359 14.058 -4.256 1.00 0.00 C ATOM 1376 CG ASN A 90 0.475 14.179 -2.750 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.284 14.955 -2.239 1.00 0.00 O ATOM 1378 ND2 ASN A 90 -0.336 13.412 -2.030 1.00 0.00 N ATOM 0 H ASN A 90 -1.709 13.285 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.003 15.723 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.088 13.035 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.329 14.257 -4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.304 13.451 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.991 12.784 -2.496 1.00 0.00 H new ATOM 1385 N LEU A 91 0.938 16.667 -5.613 1.00 0.00 N ATOM 1386 CA LEU A 91 1.634 17.516 -6.583 1.00 0.00 C ATOM 1387 C LEU A 91 3.152 17.451 -6.386 1.00 0.00 C ATOM 1388 O LEU A 91 3.634 16.940 -5.374 1.00 0.00 O ATOM 1389 CB LEU A 91 1.160 18.966 -6.453 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.289 19.219 -6.878 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -0.868 20.406 -6.122 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -0.369 19.447 -8.381 1.00 0.00 C ATOM 0 H LEU A 91 1.276 16.765 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 91 1.399 17.146 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.277 19.278 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.813 19.600 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.881 18.337 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.898 20.571 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.844 20.202 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.277 21.297 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.405 19.625 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.236 20.313 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.005 18.566 -8.903 1.00 0.00 H new ATOM 1404 N GLU A 92 3.895 17.981 -7.360 1.00 0.00 N ATOM 1405 CA GLU A 92 5.354 17.994 -7.303 1.00 0.00 C ATOM 1406 C GLU A 92 5.851 18.968 -6.240 1.00 0.00 C ATOM 1407 O GLU A 92 5.410 20.117 -6.178 1.00 0.00 O ATOM 1408 CB GLU A 92 5.941 18.363 -8.668 1.00 0.00 C ATOM 1409 CG GLU A 92 6.189 17.163 -9.567 1.00 0.00 C ATOM 1410 CD GLU A 92 6.535 17.558 -10.990 1.00 0.00 C ATOM 1411 OE1 GLU A 92 5.625 18.005 -11.720 1.00 0.00 O ATOM 1412 OE2 GLU A 92 7.714 17.419 -11.374 1.00 0.00 O ATOM 0 H GLU A 92 3.506 18.408 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 92 5.688 16.992 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.262 19.050 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.880 18.895 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.001 16.566 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.301 16.531 -9.576 1.00 0.00 H new ATOM 1419 N GLY A 93 6.769 18.492 -5.408 1.00 0.00 N ATOM 1420 CA GLY A 93 7.327 19.314 -4.347 1.00 0.00 C ATOM 1421 C GLY A 93 6.589 19.145 -3.030 1.00 0.00 C ATOM 1422 O GLY A 93 6.403 20.113 -2.291 1.00 0.00 O ATOM 0 H GLY A 93 7.141 17.543 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.377 19.057 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.293 20.361 -4.647 1.00 0.00 H new ATOM 1426 N SER A 94 6.163 17.915 -2.739 1.00 0.00 N ATOM 1427 CA SER A 94 5.436 17.623 -1.507 1.00 0.00 C ATOM 1428 C SER A 94 6.004 16.387 -0.814 1.00 0.00 C ATOM 1429 O SER A 94 6.575 15.507 -1.464 1.00 0.00 O ATOM 1430 CB SER A 94 3.949 17.413 -1.809 1.00 0.00 C ATOM 1431 OG SER A 94 3.421 18.492 -2.567 1.00 0.00 O ATOM 0 H SER A 94 6.310 17.105 -3.342 1.00 0.00 H new ATOM 0 HA SER A 94 5.551 18.475 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.815 16.480 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.396 17.316 -0.875 1.00 0.00 H new ATOM 0 HG SER A 94 3.388 18.241 -3.514 1.00 0.00 H new ATOM 1437 N LEU A 95 5.842 16.327 0.510 1.00 0.00 N ATOM 1438 CA LEU A 95 6.338 15.199 1.302 1.00 0.00 C ATOM 1439 C LEU A 95 5.739 13.878 0.816 1.00 0.00 C ATOM 1440 O LEU A 95 6.457 12.893 0.645 1.00 0.00 O ATOM 1441 CB LEU A 95 6.017 15.404 2.790 1.00 0.00 C ATOM 1442 CG LEU A 95 7.152 16.010 3.624 1.00 0.00 C ATOM 1443 CD1 LEU A 95 7.506 17.403 3.126 1.00 0.00 C ATOM 1444 CD2 LEU A 95 6.765 16.052 5.097 1.00 0.00 C ATOM 0 H LEU A 95 5.370 17.048 1.057 1.00 0.00 H new ATOM 0 HA LEU A 95 7.420 15.153 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.143 16.050 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.743 14.442 3.222 1.00 0.00 H new ATOM 0 HG LEU A 95 8.032 15.377 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.313 17.812 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.827 17.347 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.632 18.050 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.581 16.485 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.870 16.661 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.567 15.040 5.450 1.00 0.00 H new ATOM 1456 N ILE A 96 4.424 13.866 0.589 1.00 0.00 N ATOM 1457 CA ILE A 96 3.735 12.664 0.118 1.00 0.00 C ATOM 1458 C ILE A 96 4.192 12.284 -1.293 1.00 0.00 C ATOM 1459 O ILE A 96 4.401 11.106 -1.587 1.00 0.00 O ATOM 1460 CB ILE A 96 2.198 12.842 0.122 1.00 0.00 C ATOM 1461 CG1 ILE A 96 1.709 13.348 1.485 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.508 11.529 -0.231 1.00 0.00 C ATOM 1463 CD1 ILE A 96 0.413 14.129 1.413 1.00 0.00 C ATOM 0 H ILE A 96 3.816 14.674 0.724 1.00 0.00 H new ATOM 0 HA ILE A 96 3.995 11.864 0.812 1.00 0.00 H new ATOM 0 HB ILE A 96 1.942 13.587 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.574 12.497 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.480 13.980 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.427 11.672 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.824 11.207 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.778 10.768 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.129 14.455 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.548 15.000 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.372 13.494 1.001 1.00 0.00 H new ATOM 1475 N TYR A 97 4.352 13.287 -2.161 1.00 0.00 N ATOM 1476 CA TYR A 97 4.791 13.050 -3.536 1.00 0.00 C ATOM 1477 C TYR A 97 6.180 12.412 -3.558 1.00 0.00 C ATOM 1478 O TYR A 97 6.394 11.405 -4.233 1.00 0.00 O ATOM 1479 CB TYR A 97 4.799 14.358 -4.331 1.00 0.00 C ATOM 1480 CG TYR A 97 4.907 14.163 -5.828 1.00 0.00 C ATOM 1481 CD1 TYR A 97 3.818 13.722 -6.571 1.00 0.00 C ATOM 1482 CD2 TYR A 97 6.095 14.421 -6.498 1.00 0.00 C ATOM 1483 CE1 TYR A 97 3.912 13.544 -7.938 1.00 0.00 C ATOM 1484 CE2 TYR A 97 6.198 14.247 -7.864 1.00 0.00 C ATOM 1485 CZ TYR A 97 5.103 13.808 -8.580 1.00 0.00 C ATOM 1486 OH TYR A 97 5.200 13.635 -9.942 1.00 0.00 O ATOM 0 H TYR A 97 4.184 14.267 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 97 4.086 12.362 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.886 14.911 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.633 14.973 -3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.883 13.515 -6.072 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.954 14.764 -5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.057 13.200 -8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.130 14.453 -8.369 1.00 0.00 H new ATOM 0 HH TYR A 97 6.106 13.866 -10.237 1.00 0.00 H new ATOM 1496 N GLU A 98 7.110 12.995 -2.800 1.00 0.00 N ATOM 1497 CA GLU A 98 8.474 12.471 -2.718 1.00 0.00 C ATOM 1498 C GLU A 98 8.458 11.049 -2.158 1.00 0.00 C ATOM 1499 O GLU A 98 9.222 10.189 -2.598 1.00 0.00 O ATOM 1500 CB GLU A 98 9.337 13.376 -1.833 1.00 0.00 C ATOM 1501 CG GLU A 98 10.829 13.084 -1.919 1.00 0.00 C ATOM 1502 CD GLU A 98 11.684 14.235 -1.418 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.435 14.720 -0.292 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.604 14.652 -2.152 1.00 0.00 O ATOM 0 H GLU A 98 6.944 13.828 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 98 8.902 12.450 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.163 14.415 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.015 13.268 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.054 12.190 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.093 12.865 -2.954 1.00 0.00 H new ATOM 1511 N ASP A 99 7.564 10.812 -1.196 1.00 0.00 N ATOM 1512 CA ASP A 99 7.415 9.497 -0.577 1.00 0.00 C ATOM 1513 C ASP A 99 7.120 8.435 -1.633 1.00 0.00 C ATOM 1514 O ASP A 99 7.672 7.335 -1.590 1.00 0.00 O ATOM 1515 CB ASP A 99 6.284 9.527 0.452 1.00 0.00 C ATOM 1516 CG ASP A 99 6.746 9.129 1.837 1.00 0.00 C ATOM 1517 OD1 ASP A 99 7.496 9.910 2.460 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.361 8.036 2.294 1.00 0.00 O ATOM 0 H ASP A 99 6.929 11.520 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 99 8.351 9.245 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.858 10.530 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.488 8.855 0.131 1.00 0.00 H new ATOM 1523 N SER A 100 6.250 8.776 -2.584 1.00 0.00 N ATOM 1524 CA SER A 100 5.887 7.856 -3.657 1.00 0.00 C ATOM 1525 C SER A 100 7.091 7.565 -4.554 1.00 0.00 C ATOM 1526 O SER A 100 7.291 6.430 -4.983 1.00 0.00 O ATOM 1527 CB SER A 100 4.742 8.434 -4.493 1.00 0.00 C ATOM 1528 OG SER A 100 4.335 7.523 -5.502 1.00 0.00 O ATOM 0 H SER A 100 5.785 9.683 -2.631 1.00 0.00 H new ATOM 0 HA SER A 100 5.558 6.921 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.896 8.666 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.059 9.371 -4.951 1.00 0.00 H new ATOM 0 HG SER A 100 3.358 7.535 -5.579 1.00 0.00 H new ATOM 1534 N ILE A 101 7.892 8.597 -4.834 1.00 0.00 N ATOM 1535 CA ILE A 101 9.075 8.440 -5.681 1.00 0.00 C ATOM 1536 C ILE A 101 10.088 7.490 -5.041 1.00 0.00 C ATOM 1537 O ILE A 101 10.590 6.576 -5.698 1.00 0.00 O ATOM 1538 CB ILE A 101 9.770 9.792 -5.971 1.00 0.00 C ATOM 1539 CG1 ILE A 101 8.765 10.819 -6.502 1.00 0.00 C ATOM 1540 CG2 ILE A 101 10.905 9.600 -6.971 1.00 0.00 C ATOM 1541 CD1 ILE A 101 9.350 12.206 -6.676 1.00 0.00 C ATOM 0 H ILE A 101 7.743 9.545 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 101 8.722 8.021 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 101 10.184 10.170 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.378 10.474 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.918 10.874 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.385 10.559 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.637 8.905 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.505 9.199 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.582 12.880 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.712 12.572 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.178 12.165 -7.384 1.00 0.00 H new ATOM 1553 N VAL A 102 10.382 7.706 -3.758 1.00 0.00 N ATOM 1554 CA VAL A 102 11.334 6.858 -3.043 1.00 0.00 C ATOM 1555 C VAL A 102 10.791 5.436 -2.880 1.00 0.00 C ATOM 1556 O VAL A 102 11.516 4.462 -3.093 1.00 0.00 O ATOM 1557 CB VAL A 102 11.715 7.442 -1.659 1.00 0.00 C ATOM 1558 CG1 VAL A 102 10.500 7.575 -0.754 1.00 0.00 C ATOM 1559 CG2 VAL A 102 12.790 6.589 -0.996 1.00 0.00 C ATOM 0 H VAL A 102 9.977 8.456 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 102 12.239 6.825 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 102 12.115 8.443 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.806 7.988 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.771 8.239 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.051 6.594 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.045 7.014 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.417 5.574 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.678 6.568 -1.627 1.00 0.00 H new ATOM 1569 N LEU A 103 9.512 5.323 -2.515 1.00 0.00 N ATOM 1570 CA LEU A 103 8.876 4.018 -2.335 1.00 0.00 C ATOM 1571 C LEU A 103 8.825 3.248 -3.656 1.00 0.00 C ATOM 1572 O LEU A 103 9.144 2.061 -3.698 1.00 0.00 O ATOM 1573 CB LEU A 103 7.462 4.174 -1.767 1.00 0.00 C ATOM 1574 CG LEU A 103 7.366 4.156 -0.238 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.102 4.864 0.228 1.00 0.00 C ATOM 1576 CD2 LEU A 103 7.404 2.725 0.285 1.00 0.00 C ATOM 0 H LEU A 103 8.898 6.118 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 103 9.478 3.452 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.044 5.113 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.838 3.373 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 103 8.226 4.691 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.052 4.840 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.118 5.899 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.229 4.360 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.335 2.733 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.565 2.164 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.339 2.253 -0.015 1.00 0.00 H new ATOM 1588 N GLN A 104 8.425 3.931 -4.730 1.00 0.00 N ATOM 1589 CA GLN A 104 8.336 3.305 -6.049 1.00 0.00 C ATOM 1590 C GLN A 104 9.704 2.814 -6.515 1.00 0.00 C ATOM 1591 O GLN A 104 9.823 1.709 -7.042 1.00 0.00 O ATOM 1592 CB GLN A 104 7.760 4.285 -7.077 1.00 0.00 C ATOM 1593 CG GLN A 104 6.263 4.510 -6.931 1.00 0.00 C ATOM 1594 CD GLN A 104 5.451 3.704 -7.927 1.00 0.00 C ATOM 1595 OE1 GLN A 104 4.837 4.261 -8.837 1.00 0.00 O ATOM 1596 NE2 GLN A 104 5.438 2.386 -7.759 1.00 0.00 N ATOM 0 H GLN A 104 8.158 4.915 -4.712 1.00 0.00 H new ATOM 0 HA GLN A 104 7.668 2.448 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 104 8.274 5.242 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.967 3.910 -8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.957 4.245 -5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.044 5.570 -7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.961 1.965 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.905 1.796 -8.398 1.00 0.00 H new ATOM 1605 N SER A 105 10.734 3.636 -6.314 1.00 0.00 N ATOM 1606 CA SER A 105 12.093 3.274 -6.715 1.00 0.00 C ATOM 1607 C SER A 105 12.568 2.020 -5.976 1.00 0.00 C ATOM 1608 O SER A 105 13.165 1.126 -6.580 1.00 0.00 O ATOM 1609 CB SER A 105 13.055 4.438 -6.454 1.00 0.00 C ATOM 1610 OG SER A 105 12.733 5.558 -7.263 1.00 0.00 O ATOM 0 H SER A 105 10.654 4.554 -5.877 1.00 0.00 H new ATOM 0 HA SER A 105 12.083 3.057 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.012 4.721 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.078 4.121 -6.657 1.00 0.00 H new ATOM 0 HG SER A 105 11.984 6.046 -6.862 1.00 0.00 H new ATOM 1616 N VAL A 106 12.293 1.957 -4.671 1.00 0.00 N ATOM 1617 CA VAL A 106 12.690 0.807 -3.858 1.00 0.00 C ATOM 1618 C VAL A 106 11.813 -0.412 -4.162 1.00 0.00 C ATOM 1619 O VAL A 106 12.321 -1.520 -4.339 1.00 0.00 O ATOM 1620 CB VAL A 106 12.617 1.116 -2.345 1.00 0.00 C ATOM 1621 CG1 VAL A 106 13.157 -0.054 -1.534 1.00 0.00 C ATOM 1622 CG2 VAL A 106 13.378 2.396 -2.011 1.00 0.00 C ATOM 0 H VAL A 106 11.799 2.686 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 106 13.725 0.586 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 106 11.570 1.267 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.098 0.182 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 106 12.564 -0.945 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.196 -0.237 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 106 13.311 2.590 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 106 14.424 2.282 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.943 3.232 -2.559 1.00 0.00 H new ATOM 1632 N PHE A 107 10.496 -0.195 -4.221 1.00 0.00 N ATOM 1633 CA PHE A 107 9.543 -1.272 -4.504 1.00 0.00 C ATOM 1634 C PHE A 107 9.782 -1.872 -5.887 1.00 0.00 C ATOM 1635 O PHE A 107 9.790 -3.093 -6.046 1.00 0.00 O ATOM 1636 CB PHE A 107 8.106 -0.743 -4.413 1.00 0.00 C ATOM 1637 CG PHE A 107 7.089 -1.791 -4.047 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.821 -2.852 -4.898 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.398 -1.708 -2.848 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.884 -3.811 -4.560 1.00 0.00 C ATOM 1641 CE2 PHE A 107 5.461 -2.662 -2.505 1.00 0.00 C ATOM 1642 CZ PHE A 107 5.203 -3.715 -3.362 1.00 0.00 C ATOM 0 H PHE A 107 10.065 0.718 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 107 9.691 -2.054 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.070 0.057 -3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.830 -0.303 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.350 -2.930 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.595 -0.887 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.685 -4.633 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.930 -2.585 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 107 4.470 -4.462 -3.095 1.00 0.00 H new ATOM 1652 N THR A 108 9.979 -1.007 -6.886 1.00 0.00 N ATOM 1653 CA THR A 108 10.223 -1.457 -8.257 1.00 0.00 C ATOM 1654 C THR A 108 11.514 -2.269 -8.336 1.00 0.00 C ATOM 1655 O THR A 108 11.570 -3.282 -9.033 1.00 0.00 O ATOM 1656 CB THR A 108 10.284 -0.264 -9.222 1.00 0.00 C ATOM 1657 OG1 THR A 108 9.048 0.428 -9.235 1.00 0.00 O ATOM 1658 CG2 THR A 108 10.601 -0.656 -10.652 1.00 0.00 C ATOM 0 H THR A 108 9.974 0.006 -6.770 1.00 0.00 H new ATOM 0 HA THR A 108 9.392 -2.097 -8.554 1.00 0.00 H new ATOM 0 HB THR A 108 11.093 0.365 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.030 1.079 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.628 0.237 -11.277 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.571 -1.152 -10.687 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.833 -1.335 -11.022 1.00 0.00 H new ATOM 1666 N SER A 109 12.544 -1.828 -7.609 1.00 0.00 N ATOM 1667 CA SER A 109 13.826 -2.530 -7.593 1.00 0.00 C ATOM 1668 C SER A 109 13.656 -3.940 -7.029 1.00 0.00 C ATOM 1669 O SER A 109 14.195 -4.905 -7.575 1.00 0.00 O ATOM 1670 CB SER A 109 14.858 -1.751 -6.767 1.00 0.00 C ATOM 1671 OG SER A 109 15.278 -0.582 -7.450 1.00 0.00 O ATOM 0 H SER A 109 12.514 -0.991 -7.027 1.00 0.00 H new ATOM 0 HA SER A 109 14.187 -2.605 -8.619 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.427 -1.478 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.720 -2.386 -6.562 1.00 0.00 H new ATOM 0 HG SER A 109 14.640 0.143 -7.281 1.00 0.00 H new ATOM 1677 N VAL A 110 12.891 -4.052 -5.941 1.00 0.00 N ATOM 1678 CA VAL A 110 12.638 -5.346 -5.310 1.00 0.00 C ATOM 1679 C VAL A 110 11.726 -6.209 -6.188 1.00 0.00 C ATOM 1680 O VAL A 110 12.020 -7.381 -6.432 1.00 0.00 O ATOM 1681 CB VAL A 110 12.000 -5.190 -3.910 1.00 0.00 C ATOM 1682 CG1 VAL A 110 11.871 -6.542 -3.226 1.00 0.00 C ATOM 1683 CG2 VAL A 110 12.810 -4.226 -3.049 1.00 0.00 C ATOM 0 H VAL A 110 12.437 -3.263 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 110 13.605 -5.836 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 110 11.001 -4.773 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 110 11.420 -6.411 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 110 11.242 -7.196 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.859 -6.990 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.342 -4.132 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.824 -4.607 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.843 -3.249 -3.530 1.00 0.00 H new ATOM 1693 N ARG A 111 10.627 -5.619 -6.668 1.00 0.00 N ATOM 1694 CA ARG A 111 9.678 -6.330 -7.529 1.00 0.00 C ATOM 1695 C ARG A 111 10.373 -6.849 -8.788 1.00 0.00 C ATOM 1696 O ARG A 111 10.143 -7.985 -9.208 1.00 0.00 O ATOM 1697 CB ARG A 111 8.510 -5.415 -7.918 1.00 0.00 C ATOM 1698 CG ARG A 111 7.141 -6.061 -7.749 1.00 0.00 C ATOM 1699 CD ARG A 111 6.776 -6.925 -8.948 1.00 0.00 C ATOM 1700 NE ARG A 111 6.350 -6.124 -10.099 1.00 0.00 N ATOM 1701 CZ ARG A 111 5.138 -5.569 -10.223 1.00 0.00 C ATOM 1702 NH1 ARG A 111 4.221 -5.730 -9.273 1.00 0.00 N ATOM 1703 NH2 ARG A 111 4.845 -4.856 -11.305 1.00 0.00 N ATOM 0 H ARG A 111 10.373 -4.650 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 111 9.288 -7.180 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.552 -4.510 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.631 -5.108 -8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.135 -6.671 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.386 -5.286 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.635 -7.534 -9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.976 -7.611 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 111 7.020 -5.980 -10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.439 -6.280 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.300 -5.304 -9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.543 -4.733 -12.039 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.922 -4.432 -11.402 1.00 0.00 H new ATOM 1717 N GLN A 112 11.228 -6.012 -9.382 1.00 0.00 N ATOM 1718 CA GLN A 112 11.963 -6.386 -10.588 1.00 0.00 C ATOM 1719 C GLN A 112 12.849 -7.605 -10.332 1.00 0.00 C ATOM 1720 O GLN A 112 12.971 -8.475 -11.191 1.00 0.00 O ATOM 1721 CB GLN A 112 12.819 -5.218 -11.085 1.00 0.00 C ATOM 1722 CG GLN A 112 13.044 -5.224 -12.590 1.00 0.00 C ATOM 1723 CD GLN A 112 12.108 -4.282 -13.328 1.00 0.00 C ATOM 1724 OE1 GLN A 112 11.337 -4.705 -14.189 1.00 0.00 O ATOM 1725 NE2 GLN A 112 12.172 -2.997 -12.996 1.00 0.00 N ATOM 0 H GLN A 112 11.427 -5.070 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 112 11.233 -6.640 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 112 12.340 -4.281 -10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 112 13.785 -5.247 -10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.076 -4.942 -12.800 1.00 0.00 H new ATOM 0 HG3 GLN A 112 12.907 -6.237 -12.969 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.826 -2.688 -12.276 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.567 -2.319 -13.461 1.00 0.00 H new ATOM 1734 N LYS A 113 13.457 -7.665 -9.144 1.00 0.00 N ATOM 1735 CA LYS A 113 14.322 -8.787 -8.779 1.00 0.00 C ATOM 1736 C LYS A 113 13.536 -10.099 -8.794 1.00 0.00 C ATOM 1737 O LYS A 113 14.038 -11.124 -9.261 1.00 0.00 O ATOM 1738 CB LYS A 113 14.936 -8.563 -7.391 1.00 0.00 C ATOM 1739 CG LYS A 113 16.436 -8.309 -7.415 1.00 0.00 C ATOM 1740 CD LYS A 113 17.202 -9.521 -7.924 1.00 0.00 C ATOM 1741 CE LYS A 113 18.510 -9.118 -8.587 1.00 0.00 C ATOM 1742 NZ LYS A 113 19.575 -8.820 -7.589 1.00 0.00 N ATOM 0 H LYS A 113 13.366 -6.951 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 113 15.125 -8.850 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.441 -7.715 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.735 -9.436 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 113 16.650 -7.450 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.779 -8.056 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.407 -10.197 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 113 16.586 -10.069 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.845 -9.920 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.344 -8.241 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.449 -8.550 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.268 -8.038 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.753 -9.664 -7.009 1.00 0.00 H new ATOM 1756 N ILE A 114 12.301 -10.055 -8.291 1.00 0.00 N ATOM 1757 CA ILE A 114 11.445 -11.239 -8.254 1.00 0.00 C ATOM 1758 C ILE A 114 11.066 -11.683 -9.667 1.00 0.00 C ATOM 1759 O ILE A 114 11.162 -12.863 -10.002 1.00 0.00 O ATOM 1760 CB ILE A 114 10.152 -10.990 -7.441 1.00 0.00 C ATOM 1761 CG1 ILE A 114 10.472 -10.375 -6.072 1.00 0.00 C ATOM 1762 CG2 ILE A 114 9.375 -12.287 -7.272 1.00 0.00 C ATOM 1763 CD1 ILE A 114 11.331 -11.254 -5.185 1.00 0.00 C ATOM 0 H ILE A 114 11.873 -9.214 -7.905 1.00 0.00 H new ATOM 0 HA ILE A 114 12.020 -12.025 -7.764 1.00 0.00 H new ATOM 0 HB ILE A 114 9.535 -10.281 -7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 114 10.980 -9.423 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.537 -10.159 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.468 -12.096 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.108 -12.681 -8.252 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.992 -13.014 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 114 11.512 -10.748 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.817 -12.197 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.283 -11.450 -5.679 1.00 0.00 H new ATOM 1775 N GLU A 115 10.639 -10.725 -10.491 1.00 0.00 N ATOM 1776 CA GLU A 115 10.246 -11.011 -11.871 1.00 0.00 C ATOM 1777 C GLU A 115 11.452 -11.404 -12.727 1.00 0.00 C ATOM 1778 O GLU A 115 11.323 -12.187 -13.668 1.00 0.00 O ATOM 1779 CB GLU A 115 9.546 -9.797 -12.491 1.00 0.00 C ATOM 1780 CG GLU A 115 8.152 -9.541 -11.937 1.00 0.00 C ATOM 1781 CD GLU A 115 7.504 -8.306 -12.536 1.00 0.00 C ATOM 1782 OE1 GLU A 115 8.013 -7.191 -12.296 1.00 0.00 O ATOM 1783 OE2 GLU A 115 6.489 -8.454 -13.247 1.00 0.00 O ATOM 0 H GLU A 115 10.557 -9.743 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 115 9.555 -11.853 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.160 -8.912 -12.326 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.477 -9.941 -13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.522 -10.409 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.210 -9.427 -10.854 1.00 0.00 H new TER 1790 GLU A 115