USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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: B 60 THR OG1 : rot -3:sc= 0.32! USER MOD Set 1.2: B 61 ASN : amide:sc= -4.99! C(o=-4.4!,f=-17!) USER MOD Set 1.3: B 63 THR OG1 : rot -11:sc= 0.264 USER MOD Set 2.1: B 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 58 THR OG1 : rot -15:sc= 0.716 USER MOD Single : A 1 LYS N :NH3+ -167:sc= 0.673 (180deg=-0.405) USER MOD Single : A 1 LYS NZ :NH3+ -152:sc= -0.145 (180deg=-0.895) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0319) USER MOD Single : A 8 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.61) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot -23:sc= -0.0953 USER MOD Single : B 27 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.64) USER MOD Single : B 30 LYS NZ :NH3+ -162:sc= -0.164 (180deg=-0.8) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 34:sc= 1.04 USER MOD Single : B 48 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.7) USER MOD Single : B 49 ASN : amide:sc= -0.0539 K(o=-0.054,f=-2.1!) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ 161:sc= -0.0485 (180deg=-0.552) USER MOD Single : B 57 SER OG : rot 40:sc= 1.21 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -22.644 6.925 -6.245 1.00 1.61 N ATOM 2 CA LYS A 1 -23.489 8.151 -6.179 1.00 0.97 C ATOM 3 C LYS A 1 -23.186 9.046 -7.380 1.00 0.57 C ATOM 4 O LYS A 1 -24.042 9.758 -7.868 1.00 1.10 O ATOM 5 CB LYS A 1 -23.180 8.913 -4.887 1.00 1.90 C ATOM 6 CG LYS A 1 -24.182 10.066 -4.714 1.00 1.99 C ATOM 7 CD LYS A 1 -23.761 10.972 -3.543 1.00 2.41 C ATOM 8 CE LYS A 1 -24.248 10.379 -2.215 1.00 3.14 C ATOM 9 NZ LYS A 1 -25.739 10.370 -2.195 1.00 3.88 N ATOM 0 H1 LYS A 1 -22.998 6.222 -5.565 1.00 1.61 H new ATOM 0 H2 LYS A 1 -22.683 6.528 -7.205 1.00 1.61 H new ATOM 0 H3 LYS A 1 -21.660 7.168 -6.011 1.00 1.61 H new ATOM 0 HA LYS A 1 -24.541 7.867 -6.194 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -23.236 8.238 -4.033 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -22.163 9.304 -4.918 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -24.236 10.650 -5.633 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -25.179 9.665 -4.532 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -22.676 11.078 -3.527 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -24.177 11.971 -3.678 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -23.865 9.366 -2.094 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -23.865 10.966 -1.380 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -26.073 10.435 -1.212 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -26.098 11.181 -2.738 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -26.087 9.487 -2.621 1.00 3.88 H new ATOM 25 N VAL A 2 -21.973 9.024 -7.859 1.00 0.65 N ATOM 26 CA VAL A 2 -21.616 9.880 -9.023 1.00 0.45 C ATOM 27 C VAL A 2 -20.355 9.325 -9.692 1.00 0.47 C ATOM 28 O VAL A 2 -20.406 8.347 -10.410 1.00 0.88 O ATOM 29 CB VAL A 2 -21.389 11.325 -8.530 1.00 0.73 C ATOM 30 CG1 VAL A 2 -20.567 11.314 -7.221 1.00 1.03 C ATOM 31 CG2 VAL A 2 -20.677 12.182 -9.618 1.00 1.00 C ATOM 0 H VAL A 2 -21.214 8.449 -7.494 1.00 0.65 H new ATOM 0 HA VAL A 2 -22.422 9.882 -9.757 1.00 0.45 H new ATOM 0 HB VAL A 2 -22.360 11.778 -8.332 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -20.412 12.338 -6.880 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -21.107 10.755 -6.457 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -19.602 10.841 -7.402 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -20.530 13.195 -9.244 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -19.710 11.739 -9.855 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -21.292 12.213 -10.517 1.00 1.00 H new ATOM 41 N GLY A 3 -19.226 9.931 -9.465 1.00 0.41 N ATOM 42 CA GLY A 3 -17.977 9.426 -10.090 1.00 0.54 C ATOM 43 C GLY A 3 -17.679 8.028 -9.553 1.00 0.41 C ATOM 44 O GLY A 3 -17.092 7.206 -10.228 1.00 0.45 O ATOM 0 H GLY A 3 -19.115 10.754 -8.873 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -18.084 9.397 -11.174 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -17.148 10.098 -9.869 1.00 0.54 H new ATOM 48 N PHE A 4 -18.082 7.752 -8.344 1.00 0.38 N ATOM 49 CA PHE A 4 -17.819 6.404 -7.766 1.00 0.44 C ATOM 50 C PHE A 4 -18.255 5.326 -8.760 1.00 0.47 C ATOM 51 O PHE A 4 -17.452 4.563 -9.260 1.00 0.68 O ATOM 52 CB PHE A 4 -18.611 6.225 -6.469 1.00 0.57 C ATOM 53 CG PHE A 4 -18.358 7.386 -5.535 1.00 0.70 C ATOM 54 CD1 PHE A 4 -17.227 7.395 -4.710 1.00 1.35 C ATOM 55 CD2 PHE A 4 -19.263 8.453 -5.488 1.00 1.56 C ATOM 56 CE1 PHE A 4 -17.003 8.470 -3.840 1.00 1.52 C ATOM 57 CE2 PHE A 4 -19.038 9.528 -4.620 1.00 1.74 C ATOM 58 CZ PHE A 4 -17.909 9.536 -3.797 1.00 1.26 C ATOM 0 H PHE A 4 -18.580 8.399 -7.733 1.00 0.38 H new ATOM 0 HA PHE A 4 -16.753 6.314 -7.559 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -19.676 6.154 -6.692 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -18.324 5.291 -5.985 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -16.527 6.573 -4.744 1.00 1.35 H new ATOM 0 HD2 PHE A 4 -20.137 8.447 -6.123 1.00 1.56 H new ATOM 0 HE1 PHE A 4 -16.131 8.476 -3.203 1.00 1.52 H new ATOM 0 HE2 PHE A 4 -19.737 10.351 -4.587 1.00 1.74 H new ATOM 0 HZ PHE A 4 -17.735 10.365 -3.127 1.00 1.26 H new ATOM 68 N PHE A 5 -19.527 5.252 -9.038 1.00 0.45 N ATOM 69 CA PHE A 5 -20.028 4.218 -9.985 1.00 0.59 C ATOM 70 C PHE A 5 -19.512 4.516 -11.399 1.00 0.56 C ATOM 71 O PHE A 5 -19.311 3.619 -12.195 1.00 0.72 O ATOM 72 CB PHE A 5 -21.581 4.197 -9.928 1.00 0.72 C ATOM 73 CG PHE A 5 -22.201 4.877 -11.135 1.00 0.73 C ATOM 74 CD1 PHE A 5 -22.198 4.227 -12.373 1.00 1.39 C ATOM 75 CD2 PHE A 5 -22.777 6.147 -11.011 1.00 1.48 C ATOM 76 CE1 PHE A 5 -22.772 4.845 -13.490 1.00 1.44 C ATOM 77 CE2 PHE A 5 -23.353 6.766 -12.129 1.00 1.65 C ATOM 78 CZ PHE A 5 -23.350 6.114 -13.368 1.00 1.10 C ATOM 0 H PHE A 5 -20.243 5.865 -8.649 1.00 0.45 H new ATOM 0 HA PHE A 5 -19.660 3.231 -9.704 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -21.928 3.165 -9.874 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.918 4.694 -9.018 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -21.753 3.248 -12.467 1.00 1.39 H new ATOM 0 HD2 PHE A 5 -22.778 6.649 -10.055 1.00 1.48 H new ATOM 0 HE1 PHE A 5 -22.769 4.343 -14.446 1.00 1.44 H new ATOM 0 HE2 PHE A 5 -23.799 7.745 -12.035 1.00 1.65 H new ATOM 0 HZ PHE A 5 -23.794 6.590 -14.230 1.00 1.10 H new ATOM 88 N LYS A 6 -19.309 5.767 -11.722 1.00 0.47 N ATOM 89 CA LYS A 6 -18.821 6.121 -13.089 1.00 0.55 C ATOM 90 C LYS A 6 -17.297 6.290 -13.085 1.00 0.47 C ATOM 91 O LYS A 6 -16.764 7.195 -13.693 1.00 0.56 O ATOM 92 CB LYS A 6 -19.468 7.437 -13.534 1.00 0.71 C ATOM 93 CG LYS A 6 -19.259 7.639 -15.055 1.00 1.24 C ATOM 94 CD LYS A 6 -19.082 9.130 -15.384 1.00 1.40 C ATOM 95 CE LYS A 6 -18.646 9.281 -16.842 1.00 1.81 C ATOM 96 NZ LYS A 6 -19.795 8.968 -17.738 1.00 2.26 N ATOM 0 H LYS A 6 -19.460 6.560 -11.098 1.00 0.47 H new ATOM 0 HA LYS A 6 -19.090 5.319 -13.776 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -20.533 7.425 -13.303 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -19.032 8.271 -12.984 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -18.382 7.082 -15.384 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -20.114 7.240 -15.601 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -20.017 9.664 -15.215 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -18.338 9.574 -14.723 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -18.295 10.297 -17.025 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -17.812 8.612 -17.055 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -19.525 9.152 -18.725 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -20.056 7.967 -17.631 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -20.607 9.566 -17.484 1.00 2.26 H new ATOM 110 N ARG A 7 -16.586 5.428 -12.409 1.00 0.52 N ATOM 111 CA ARG A 7 -15.094 5.554 -12.388 1.00 0.56 C ATOM 112 C ARG A 7 -14.439 4.201 -12.131 1.00 0.59 C ATOM 113 O ARG A 7 -13.289 3.996 -12.465 1.00 0.71 O ATOM 114 CB ARG A 7 -14.673 6.530 -11.293 1.00 0.76 C ATOM 115 CG ARG A 7 -13.150 6.663 -11.300 1.00 1.21 C ATOM 116 CD ARG A 7 -12.737 7.840 -10.421 1.00 1.68 C ATOM 117 NE ARG A 7 -11.268 8.058 -10.539 1.00 2.21 N ATOM 118 CZ ARG A 7 -10.741 9.183 -10.143 1.00 2.78 C ATOM 119 NH1 ARG A 7 -11.505 10.124 -9.659 1.00 3.15 N ATOM 120 NH2 ARG A 7 -9.453 9.370 -10.237 1.00 3.45 N ATOM 0 H ARG A 7 -16.966 4.647 -11.874 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.769 5.924 -13.361 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -15.136 7.503 -11.458 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -15.015 6.175 -10.321 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -12.693 5.744 -10.934 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.792 6.813 -12.319 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -13.274 8.739 -10.723 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -13.004 7.643 -9.383 1.00 1.68 H new ATOM 0 HE ARG A 7 -10.674 7.327 -10.930 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -12.512 9.979 -9.591 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -11.095 11.005 -9.349 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -8.858 8.636 -10.620 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -9.042 10.250 -9.927 1.00 3.45 H new ATOM 134 N ASN A 8 -15.146 3.280 -11.530 1.00 0.59 N ATOM 135 CA ASN A 8 -14.551 1.937 -11.237 1.00 0.68 C ATOM 136 C ASN A 8 -15.486 0.837 -11.750 1.00 0.60 C ATOM 137 O ASN A 8 -15.100 -0.310 -11.865 1.00 0.62 O ATOM 138 CB ASN A 8 -14.355 1.802 -9.717 1.00 0.91 C ATOM 139 CG ASN A 8 -14.087 3.179 -9.106 1.00 1.63 C ATOM 140 OD1 ASN A 8 -13.075 3.793 -9.380 1.00 2.44 O ATOM 141 ND2 ASN A 8 -14.958 3.691 -8.283 1.00 1.47 N ATOM 0 H ASN A 8 -16.113 3.398 -11.228 1.00 0.59 H new ATOM 0 HA ASN A 8 -13.588 1.838 -11.738 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -15.242 1.359 -9.264 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -13.522 1.132 -9.506 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -14.790 4.608 -7.868 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -15.807 3.175 -8.053 1.00 1.47 H new ATOM 148 N ARG A 9 -16.716 1.178 -12.052 1.00 0.66 N ATOM 149 CA ARG A 9 -17.692 0.166 -12.547 1.00 0.76 C ATOM 150 C ARG A 9 -17.982 0.270 -14.073 1.00 0.57 C ATOM 151 O ARG A 9 -18.582 -0.644 -14.603 1.00 0.61 O ATOM 152 CB ARG A 9 -19.000 0.362 -11.763 1.00 1.15 C ATOM 153 CG ARG A 9 -19.038 -0.586 -10.560 1.00 1.16 C ATOM 154 CD ARG A 9 -20.245 -0.257 -9.691 1.00 1.56 C ATOM 155 NE ARG A 9 -19.921 0.924 -8.840 1.00 1.99 N ATOM 156 CZ ARG A 9 -20.864 1.526 -8.177 1.00 2.90 C ATOM 157 NH1 ARG A 9 -22.086 1.084 -8.245 1.00 3.37 N ATOM 158 NH2 ARG A 9 -20.585 2.572 -7.447 1.00 3.67 N ATOM 0 H ARG A 9 -17.086 2.126 -11.974 1.00 0.66 H new ATOM 0 HA ARG A 9 -17.259 -0.822 -12.391 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -19.079 1.395 -11.425 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -19.855 0.173 -12.413 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -19.093 -1.620 -10.900 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -18.121 -0.490 -9.979 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -21.112 -0.045 -10.316 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -20.504 -1.112 -9.066 1.00 1.56 H new ATOM 0 HE ARG A 9 -18.960 1.260 -8.778 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -22.302 0.268 -8.817 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -22.828 1.554 -7.726 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -19.627 2.918 -7.396 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -21.325 3.043 -6.927 1.00 3.67 H new ATOM 172 N PRO A 10 -17.598 1.335 -14.770 1.00 0.48 N ATOM 173 CA PRO A 10 -17.906 1.408 -16.209 1.00 0.50 C ATOM 174 C PRO A 10 -17.379 0.170 -16.970 1.00 0.48 C ATOM 175 O PRO A 10 -18.099 -0.374 -17.783 1.00 0.62 O ATOM 176 CB PRO A 10 -17.275 2.729 -16.705 1.00 0.58 C ATOM 177 CG PRO A 10 -16.720 3.470 -15.452 1.00 0.57 C ATOM 178 CD PRO A 10 -16.872 2.518 -14.240 1.00 0.53 C ATOM 0 HA PRO A 10 -18.980 1.403 -16.392 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -16.477 2.530 -17.420 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -18.017 3.342 -17.218 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -15.674 3.739 -15.598 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -17.267 4.397 -15.282 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -15.900 2.236 -13.835 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -17.428 2.993 -13.432 1.00 0.53 H new ATOM 186 N PRO A 11 -16.155 -0.259 -16.711 1.00 0.44 N ATOM 187 CA PRO A 11 -15.607 -1.436 -17.411 1.00 0.58 C ATOM 188 C PRO A 11 -16.343 -2.710 -16.964 1.00 0.60 C ATOM 189 O PRO A 11 -15.941 -3.808 -17.291 1.00 0.91 O ATOM 190 CB PRO A 11 -14.111 -1.478 -17.016 1.00 0.66 C ATOM 191 CG PRO A 11 -13.860 -0.304 -16.025 1.00 0.57 C ATOM 192 CD PRO A 11 -15.225 0.364 -15.745 1.00 0.41 C ATOM 0 HA PRO A 11 -15.730 -1.375 -18.492 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -13.863 -2.432 -16.552 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -13.478 -1.378 -17.898 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -13.415 -0.671 -15.100 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -13.161 0.415 -16.451 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -15.547 0.191 -14.718 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -15.173 1.444 -15.885 1.00 0.41 H new ATOM 200 N LEU A 12 -17.419 -2.582 -16.228 1.00 0.55 N ATOM 201 CA LEU A 12 -18.155 -3.791 -15.790 1.00 0.62 C ATOM 202 C LEU A 12 -19.462 -3.367 -15.135 1.00 0.57 C ATOM 203 O LEU A 12 -19.494 -2.876 -14.027 1.00 0.87 O ATOM 204 CB LEU A 12 -17.312 -4.585 -14.790 1.00 0.80 C ATOM 205 CG LEU A 12 -16.880 -3.673 -13.605 1.00 0.87 C ATOM 206 CD1 LEU A 12 -17.540 -4.136 -12.297 1.00 1.13 C ATOM 207 CD2 LEU A 12 -15.360 -3.727 -13.440 1.00 1.05 C ATOM 0 H LEU A 12 -17.812 -1.694 -15.916 1.00 0.55 H new ATOM 0 HA LEU A 12 -18.362 -4.422 -16.654 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -17.884 -5.434 -14.415 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -16.430 -4.989 -15.287 1.00 0.80 H new ATOM 0 HG LEU A 12 -17.197 -2.653 -13.824 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -17.225 -3.486 -11.481 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -18.624 -4.090 -12.400 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -17.239 -5.161 -12.081 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -15.061 -3.087 -12.610 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -15.052 -4.753 -13.237 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -14.882 -3.379 -14.356 1.00 1.05 H new ATOM 219 N GLU A 13 -20.528 -3.550 -15.837 1.00 0.65 N ATOM 220 CA GLU A 13 -21.875 -3.174 -15.316 1.00 0.75 C ATOM 221 C GLU A 13 -21.947 -1.661 -15.139 1.00 0.74 C ATOM 222 O GLU A 13 -21.682 -1.132 -14.078 1.00 0.95 O ATOM 223 CB GLU A 13 -22.148 -3.869 -13.975 1.00 1.03 C ATOM 224 CG GLU A 13 -21.765 -5.350 -14.071 1.00 1.27 C ATOM 225 CD GLU A 13 -22.478 -5.987 -15.265 1.00 1.82 C ATOM 226 OE1 GLU A 13 -23.591 -6.454 -15.087 1.00 2.40 O ATOM 227 OE2 GLU A 13 -21.897 -6.001 -16.338 1.00 2.42 O ATOM 0 H GLU A 13 -20.533 -3.953 -16.774 1.00 0.65 H new ATOM 0 HA GLU A 13 -22.632 -3.495 -16.032 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -21.577 -3.387 -13.182 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -23.202 -3.773 -13.713 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -20.685 -5.450 -14.183 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -22.040 -5.868 -13.152 1.00 1.27 H new ATOM 234 N GLU A 14 -22.303 -0.956 -16.178 1.00 0.68 N ATOM 235 CA GLU A 14 -22.392 0.524 -16.077 1.00 0.89 C ATOM 236 C GLU A 14 -23.687 0.907 -15.353 1.00 0.94 C ATOM 237 O GLU A 14 -24.127 2.038 -15.405 1.00 1.55 O ATOM 238 CB GLU A 14 -22.388 1.130 -17.484 1.00 1.17 C ATOM 239 CG GLU A 14 -21.349 0.413 -18.346 1.00 1.14 C ATOM 240 CD GLU A 14 -21.139 1.194 -19.645 1.00 1.64 C ATOM 241 OE1 GLU A 14 -22.089 1.805 -20.105 1.00 2.31 O ATOM 242 OE2 GLU A 14 -20.033 1.165 -20.158 1.00 2.06 O ATOM 0 H GLU A 14 -22.536 -1.344 -17.092 1.00 0.68 H new ATOM 0 HA GLU A 14 -21.539 0.906 -15.517 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -23.376 1.037 -17.934 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -22.161 2.195 -17.432 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -20.407 0.328 -17.804 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -21.682 -0.601 -18.568 1.00 1.14 H new ATOM 249 N ASP A 15 -24.296 -0.028 -14.677 1.00 1.07 N ATOM 250 CA ASP A 15 -25.554 0.273 -13.951 1.00 1.20 C ATOM 251 C ASP A 15 -25.273 1.306 -12.854 1.00 1.34 C ATOM 252 O ASP A 15 -24.212 1.895 -12.802 1.00 2.23 O ATOM 253 CB ASP A 15 -26.078 -1.024 -13.331 1.00 1.49 C ATOM 254 CG ASP A 15 -24.903 -1.853 -12.813 1.00 1.87 C ATOM 255 OD1 ASP A 15 -23.828 -1.295 -12.668 1.00 2.50 O ATOM 256 OD2 ASP A 15 -25.098 -3.032 -12.568 1.00 2.03 O ATOM 0 H ASP A 15 -23.972 -0.992 -14.598 1.00 1.07 H new ATOM 0 HA ASP A 15 -26.299 0.680 -14.634 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -26.765 -0.798 -12.515 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -26.639 -1.593 -14.072 1.00 1.49 H new ATOM 261 N ASP A 16 -26.215 1.529 -11.978 1.00 1.38 N ATOM 262 CA ASP A 16 -26.009 2.516 -10.892 1.00 1.96 C ATOM 263 C ASP A 16 -25.255 1.856 -9.740 1.00 2.73 C ATOM 264 O ASP A 16 -24.052 1.688 -9.780 1.00 3.35 O ATOM 265 CB ASP A 16 -27.377 2.990 -10.400 1.00 1.75 C ATOM 266 CG ASP A 16 -27.956 4.010 -11.384 1.00 2.35 C ATOM 267 OD1 ASP A 16 -27.427 4.111 -12.479 1.00 2.63 O ATOM 268 OD2 ASP A 16 -28.916 4.671 -11.025 1.00 3.01 O ATOM 0 H ASP A 16 -27.123 1.064 -11.972 1.00 1.38 H new ATOM 0 HA ASP A 16 -25.429 3.362 -11.261 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -28.053 2.141 -10.302 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -27.283 3.438 -9.411 1.00 1.75 H new ATOM 273 N GLU A 17 -25.962 1.489 -8.708 1.00 2.99 N ATOM 274 CA GLU A 17 -25.319 0.845 -7.530 1.00 3.97 C ATOM 275 C GLU A 17 -26.195 -0.308 -7.041 1.00 4.44 C ATOM 276 O GLU A 17 -25.728 -1.409 -6.843 1.00 4.39 O ATOM 277 CB GLU A 17 -25.183 1.881 -6.421 1.00 4.23 C ATOM 278 CG GLU A 17 -24.671 3.200 -7.006 1.00 4.26 C ATOM 279 CD GLU A 17 -24.335 4.166 -5.869 1.00 5.23 C ATOM 280 OE1 GLU A 17 -25.254 4.599 -5.195 1.00 5.57 O ATOM 281 OE2 GLU A 17 -23.163 4.454 -5.691 1.00 5.91 O ATOM 0 H GLU A 17 -26.972 1.610 -8.630 1.00 2.99 H new ATOM 0 HA GLU A 17 -24.337 0.461 -7.805 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -26.147 2.037 -5.936 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -24.496 1.520 -5.656 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -23.787 3.020 -7.618 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -25.426 3.638 -7.659 1.00 4.26 H new ATOM 288 N GLU A 18 -27.467 -0.064 -6.848 1.00 5.24 N ATOM 289 CA GLU A 18 -28.371 -1.153 -6.376 1.00 5.97 C ATOM 290 C GLU A 18 -28.116 -2.406 -7.212 1.00 5.91 C ATOM 291 O GLU A 18 -28.032 -3.504 -6.698 1.00 6.62 O ATOM 292 CB GLU A 18 -29.829 -0.720 -6.540 1.00 6.80 C ATOM 293 CG GLU A 18 -30.186 0.297 -5.455 1.00 7.66 C ATOM 294 CD GLU A 18 -30.285 -0.414 -4.104 1.00 8.51 C ATOM 295 OE1 GLU A 18 -30.931 -1.447 -4.048 1.00 8.87 O ATOM 296 OE2 GLU A 18 -29.713 0.086 -3.149 1.00 8.98 O ATOM 0 H GLU A 18 -27.916 0.840 -6.997 1.00 5.24 H new ATOM 0 HA GLU A 18 -28.176 -1.362 -5.324 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -29.980 -0.283 -7.527 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -30.486 -1.587 -6.471 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -29.429 1.080 -5.412 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -31.133 0.782 -5.693 1.00 7.66 H new ATOM 303 N GLY A 19 -27.975 -2.244 -8.500 1.00 5.28 N ATOM 304 CA GLY A 19 -27.706 -3.419 -9.375 1.00 5.61 C ATOM 305 C GLY A 19 -26.214 -3.692 -9.383 1.00 5.58 C ATOM 306 O GLY A 19 -25.678 -4.252 -10.318 1.00 6.33 O ATOM 0 H GLY A 19 -28.035 -1.348 -8.983 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -28.247 -4.292 -9.011 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -28.059 -3.224 -10.388 1.00 5.61 H new ATOM 310 N GLU A 20 -25.549 -3.302 -8.333 1.00 4.99 N ATOM 311 CA GLU A 20 -24.090 -3.523 -8.216 1.00 5.43 C ATOM 312 C GLU A 20 -23.706 -4.896 -8.794 1.00 5.84 C ATOM 313 O GLU A 20 -24.572 -5.754 -8.857 1.00 6.24 O ATOM 314 CB GLU A 20 -23.737 -3.473 -6.732 1.00 5.87 C ATOM 315 CG GLU A 20 -24.836 -4.161 -5.912 1.00 6.13 C ATOM 316 CD GLU A 20 -24.382 -4.293 -4.458 1.00 6.76 C ATOM 317 OE1 GLU A 20 -23.187 -4.396 -4.236 1.00 7.17 O ATOM 318 OE2 GLU A 20 -25.239 -4.289 -3.589 1.00 7.07 O ATOM 319 OXT GLU A 20 -22.554 -5.061 -9.160 1.00 6.10 O ATOM 0 H GLU A 20 -25.970 -2.828 -7.534 1.00 4.99 H new ATOM 0 HA GLU A 20 -23.547 -2.759 -8.773 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -22.780 -3.966 -6.560 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -23.625 -2.438 -6.410 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -25.759 -3.584 -5.965 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -25.052 -5.145 -6.327 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -19.036 17.261 -5.444 1.00 0.00 N ATOM 328 CA LYS B 21 -18.494 17.899 -4.211 1.00 0.00 C ATOM 329 C LYS B 21 -17.136 17.263 -3.870 1.00 0.00 C ATOM 330 O LYS B 21 -16.486 16.677 -4.714 1.00 0.00 O ATOM 331 CB LYS B 21 -19.511 17.716 -3.055 1.00 0.00 C ATOM 332 CG LYS B 21 -20.292 19.017 -2.819 1.00 0.00 C ATOM 333 CD LYS B 21 -21.450 18.751 -1.854 1.00 0.00 C ATOM 334 CE LYS B 21 -22.332 19.998 -1.757 1.00 0.00 C ATOM 335 NZ LYS B 21 -23.281 19.847 -0.618 1.00 0.00 N ATOM 0 HA LYS B 21 -18.342 18.967 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -20.202 16.908 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.987 17.428 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -19.631 19.781 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -20.674 19.401 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -22.039 17.902 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -21.063 18.489 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -21.713 20.884 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -22.883 20.140 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -23.881 20.694 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -23.879 19.010 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -22.746 19.731 0.266 1.00 0.00 H new ATOM 351 N LEU B 22 -16.692 17.408 -2.654 1.00 0.00 N ATOM 352 CA LEU B 22 -15.360 16.853 -2.262 1.00 0.00 C ATOM 353 C LEU B 22 -15.464 15.365 -1.899 1.00 0.00 C ATOM 354 O LEU B 22 -14.480 14.656 -1.908 1.00 0.00 O ATOM 355 CB LEU B 22 -14.826 17.621 -1.042 1.00 0.00 C ATOM 356 CG LEU B 22 -14.415 19.062 -1.413 1.00 0.00 C ATOM 357 CD1 LEU B 22 -13.179 19.059 -2.326 1.00 0.00 C ATOM 358 CD2 LEU B 22 -15.573 19.781 -2.117 1.00 0.00 C ATOM 0 H LEU B 22 -17.194 17.889 -1.908 1.00 0.00 H new ATOM 0 HA LEU B 22 -14.685 16.962 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -15.590 17.649 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -13.968 17.093 -0.626 1.00 0.00 H new ATOM 0 HG LEU B 22 -14.169 19.591 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -12.908 20.085 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -12.347 18.578 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -13.404 18.511 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -15.269 20.796 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -15.837 19.241 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.436 19.817 -1.453 1.00 0.00 H new ATOM 370 N LEU B 23 -16.631 14.890 -1.565 1.00 0.00 N ATOM 371 CA LEU B 23 -16.775 13.447 -1.180 1.00 0.00 C ATOM 372 C LEU B 23 -16.055 12.533 -2.179 1.00 0.00 C ATOM 373 O LEU B 23 -15.805 11.383 -1.901 1.00 0.00 O ATOM 374 CB LEU B 23 -18.262 13.054 -1.086 1.00 0.00 C ATOM 375 CG LEU B 23 -18.961 13.125 -2.458 1.00 0.00 C ATOM 376 CD1 LEU B 23 -20.318 12.424 -2.360 1.00 0.00 C ATOM 377 CD2 LEU B 23 -19.177 14.587 -2.872 1.00 0.00 C ATOM 0 H LEU B 23 -17.494 15.433 -1.540 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.313 13.319 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.346 12.043 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.769 13.717 -0.385 1.00 0.00 H new ATOM 0 HG LEU B 23 -18.335 12.636 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -20.821 12.469 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -20.170 11.382 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -20.931 12.921 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -19.672 14.621 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -19.799 15.087 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -18.214 15.093 -2.938 1.00 0.00 H new ATOM 389 N ILE B 24 -15.732 13.039 -3.333 1.00 0.00 N ATOM 390 CA ILE B 24 -15.030 12.234 -4.374 1.00 0.00 C ATOM 391 C ILE B 24 -13.542 12.529 -4.290 1.00 0.00 C ATOM 392 O ILE B 24 -12.712 11.649 -4.331 1.00 0.00 O ATOM 393 CB ILE B 24 -15.573 12.604 -5.763 1.00 0.00 C ATOM 394 CG1 ILE B 24 -15.093 14.013 -6.157 1.00 0.00 C ATOM 395 CG2 ILE B 24 -17.105 12.567 -5.731 1.00 0.00 C ATOM 396 CD1 ILE B 24 -15.878 14.517 -7.373 1.00 0.00 C ATOM 0 H ILE B 24 -15.929 14.001 -3.607 1.00 0.00 H new ATOM 0 HA ILE B 24 -15.200 11.170 -4.209 1.00 0.00 H new ATOM 0 HB ILE B 24 -15.205 11.889 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -15.226 14.698 -5.320 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -14.027 13.992 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -17.496 12.829 -6.714 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -17.439 11.565 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -17.471 13.281 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -15.530 15.514 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -15.723 13.839 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -16.940 14.557 -7.130 1.00 0.00 H new ATOM 408 N THR B 25 -13.211 13.778 -4.164 1.00 0.00 N ATOM 409 CA THR B 25 -11.785 14.168 -4.062 1.00 0.00 C ATOM 410 C THR B 25 -11.188 13.449 -2.860 1.00 0.00 C ATOM 411 O THR B 25 -10.109 12.896 -2.927 1.00 0.00 O ATOM 412 CB THR B 25 -11.685 15.680 -3.864 1.00 0.00 C ATOM 413 OG1 THR B 25 -12.505 16.062 -2.770 1.00 0.00 O ATOM 414 CG2 THR B 25 -12.153 16.396 -5.131 1.00 0.00 C ATOM 0 H THR B 25 -13.874 14.552 -4.127 1.00 0.00 H new ATOM 0 HA THR B 25 -11.246 13.897 -4.970 1.00 0.00 H new ATOM 0 HB THR B 25 -10.650 15.955 -3.659 1.00 0.00 H new ATOM 0 HG1 THR B 25 -13.201 15.386 -2.631 1.00 0.00 H new ATOM 0 HG21 THR B 25 -12.081 17.474 -4.987 1.00 0.00 H new ATOM 0 HG22 THR B 25 -11.524 16.099 -5.970 1.00 0.00 H new ATOM 0 HG23 THR B 25 -13.188 16.126 -5.340 1.00 0.00 H new ATOM 422 N ILE B 26 -11.896 13.429 -1.764 1.00 0.00 N ATOM 423 CA ILE B 26 -11.370 12.716 -0.576 1.00 0.00 C ATOM 424 C ILE B 26 -11.348 11.235 -0.893 1.00 0.00 C ATOM 425 O ILE B 26 -10.501 10.502 -0.423 1.00 0.00 O ATOM 426 CB ILE B 26 -12.258 12.977 0.650 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.716 12.543 0.363 1.00 0.00 C ATOM 428 CG2 ILE B 26 -12.223 14.474 0.973 1.00 0.00 C ATOM 429 CD1 ILE B 26 -13.933 11.029 0.584 1.00 0.00 C ATOM 0 H ILE B 26 -12.807 13.872 -1.644 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.367 13.073 -0.344 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.885 12.400 1.496 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -14.393 13.103 1.009 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.973 12.798 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.850 14.673 1.842 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -11.198 14.776 1.188 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.596 15.039 0.119 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -14.971 10.775 0.370 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -13.277 10.467 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.704 10.776 1.619 1.00 0.00 H new ATOM 441 N HIS B 27 -12.276 10.779 -1.692 1.00 0.00 N ATOM 442 CA HIS B 27 -12.289 9.322 -2.033 1.00 0.00 C ATOM 443 C HIS B 27 -11.367 9.074 -3.231 1.00 0.00 C ATOM 444 O HIS B 27 -11.038 7.951 -3.551 1.00 0.00 O ATOM 445 CB HIS B 27 -13.732 8.889 -2.353 1.00 0.00 C ATOM 446 CG HIS B 27 -14.325 8.127 -1.192 1.00 0.00 C ATOM 447 ND1 HIS B 27 -13.601 7.185 -0.480 1.00 0.00 N ATOM 448 CD2 HIS B 27 -15.564 8.165 -0.613 1.00 0.00 C ATOM 449 CE1 HIS B 27 -14.408 6.697 0.480 1.00 0.00 C ATOM 450 NE2 HIS B 27 -15.617 7.262 0.443 1.00 0.00 N ATOM 0 H HIS B 27 -13.014 11.339 -2.118 1.00 0.00 H new ATOM 0 HA HIS B 27 -11.928 8.734 -1.189 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.342 9.766 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -13.741 8.266 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -16.378 8.801 -0.929 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -14.114 5.941 1.193 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -16.409 7.072 1.057 1.00 0.00 H new ATOM 458 N ASP B 28 -10.953 10.110 -3.898 1.00 0.00 N ATOM 459 CA ASP B 28 -10.062 9.926 -5.074 1.00 0.00 C ATOM 460 C ASP B 28 -8.649 9.610 -4.601 1.00 0.00 C ATOM 461 O ASP B 28 -7.910 8.903 -5.253 1.00 0.00 O ATOM 462 CB ASP B 28 -10.031 11.210 -5.891 1.00 0.00 C ATOM 463 CG ASP B 28 -9.151 11.011 -7.126 1.00 0.00 C ATOM 464 OD1 ASP B 28 -7.942 11.092 -6.987 1.00 0.00 O ATOM 465 OD2 ASP B 28 -9.701 10.783 -8.191 1.00 0.00 O ATOM 0 H ASP B 28 -11.193 11.077 -3.681 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.439 9.105 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -11.042 11.486 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.645 12.029 -5.285 1.00 0.00 H new ATOM 470 N ARG B 29 -8.272 10.122 -3.469 1.00 0.00 N ATOM 471 CA ARG B 29 -6.913 9.848 -2.951 1.00 0.00 C ATOM 472 C ARG B 29 -6.759 8.348 -2.758 1.00 0.00 C ATOM 473 O ARG B 29 -5.670 7.811 -2.812 1.00 0.00 O ATOM 474 CB ARG B 29 -6.728 10.571 -1.620 1.00 0.00 C ATOM 475 CG ARG B 29 -6.979 12.072 -1.803 1.00 0.00 C ATOM 476 CD ARG B 29 -5.929 12.673 -2.747 1.00 0.00 C ATOM 477 NE ARG B 29 -5.820 14.137 -2.494 1.00 0.00 N ATOM 478 CZ ARG B 29 -4.805 14.806 -2.967 1.00 0.00 C ATOM 479 NH1 ARG B 29 -3.884 14.193 -3.658 1.00 0.00 N ATOM 480 NH2 ARG B 29 -4.712 16.090 -2.749 1.00 0.00 N ATOM 0 H ARG B 29 -8.850 10.721 -2.879 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.160 10.203 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -7.416 10.166 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -5.719 10.405 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -7.978 12.235 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -6.941 12.575 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -4.964 12.192 -2.589 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -6.210 12.491 -3.784 1.00 0.00 H new ATOM 0 HE ARG B 29 -6.539 14.616 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -3.957 13.190 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -3.091 14.717 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -5.433 16.569 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -3.919 16.614 -3.118 1.00 0.00 H new ATOM 494 N LYS B 30 -7.846 7.662 -2.556 1.00 0.00 N ATOM 495 CA LYS B 30 -7.764 6.192 -2.388 1.00 0.00 C ATOM 496 C LYS B 30 -7.042 5.635 -3.611 1.00 0.00 C ATOM 497 O LYS B 30 -6.501 4.547 -3.599 1.00 0.00 O ATOM 498 CB LYS B 30 -9.185 5.606 -2.254 1.00 0.00 C ATOM 499 CG LYS B 30 -9.801 5.279 -3.625 1.00 0.00 C ATOM 500 CD LYS B 30 -11.276 4.908 -3.444 1.00 0.00 C ATOM 501 CE LYS B 30 -11.831 4.369 -4.763 1.00 0.00 C ATOM 502 NZ LYS B 30 -11.292 5.176 -5.894 1.00 0.00 N ATOM 0 H LYS B 30 -8.785 8.057 -2.500 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.216 5.923 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -9.149 4.701 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -9.823 6.317 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.709 6.137 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.262 4.454 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -11.380 4.158 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -11.846 5.782 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.555 3.322 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.920 4.413 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.880 5.026 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -11.304 6.184 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.315 4.882 -6.096 1.00 0.00 H new ATOM 516 N GLU B 31 -7.036 6.404 -4.668 1.00 0.00 N ATOM 517 CA GLU B 31 -6.354 5.978 -5.925 1.00 0.00 C ATOM 518 C GLU B 31 -5.007 5.336 -5.578 1.00 0.00 C ATOM 519 O GLU B 31 -4.591 4.368 -6.184 1.00 0.00 O ATOM 520 CB GLU B 31 -6.159 7.218 -6.822 1.00 0.00 C ATOM 521 CG GLU B 31 -4.990 7.013 -7.795 1.00 0.00 C ATOM 522 CD GLU B 31 -5.113 7.987 -8.971 1.00 0.00 C ATOM 523 OE1 GLU B 31 -5.732 9.023 -8.794 1.00 0.00 O ATOM 524 OE2 GLU B 31 -4.584 7.680 -10.027 1.00 0.00 O ATOM 0 H GLU B 31 -7.481 7.321 -4.714 1.00 0.00 H new ATOM 0 HA GLU B 31 -6.956 5.243 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.073 7.414 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -5.971 8.094 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -4.043 7.171 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -4.986 5.986 -8.161 1.00 0.00 H new ATOM 531 N PHE B 32 -4.329 5.868 -4.604 1.00 0.00 N ATOM 532 CA PHE B 32 -3.013 5.292 -4.205 1.00 0.00 C ATOM 533 C PHE B 32 -3.247 4.118 -3.257 1.00 0.00 C ATOM 534 O PHE B 32 -2.568 3.110 -3.305 1.00 0.00 O ATOM 535 CB PHE B 32 -2.173 6.363 -3.490 1.00 0.00 C ATOM 536 CG PHE B 32 -0.708 5.994 -3.545 1.00 0.00 C ATOM 537 CD1 PHE B 32 -0.242 4.922 -2.788 1.00 0.00 C ATOM 538 CD2 PHE B 32 0.178 6.724 -4.349 1.00 0.00 C ATOM 539 CE1 PHE B 32 1.112 4.568 -2.829 1.00 0.00 C ATOM 540 CE2 PHE B 32 1.533 6.372 -4.393 1.00 0.00 C ATOM 541 CZ PHE B 32 1.999 5.293 -3.633 1.00 0.00 C ATOM 0 H PHE B 32 -4.628 6.680 -4.064 1.00 0.00 H new ATOM 0 HA PHE B 32 -2.481 4.951 -5.093 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -2.330 7.334 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.494 6.456 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -0.927 4.362 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -0.184 7.557 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE B 32 1.472 3.737 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE B 32 2.217 6.932 -5.013 1.00 0.00 H new ATOM 0 HZ PHE B 32 3.043 5.020 -3.667 1.00 0.00 H new ATOM 551 N ALA B 33 -4.190 4.266 -2.382 1.00 0.00 N ATOM 552 CA ALA B 33 -4.485 3.197 -1.389 1.00 0.00 C ATOM 553 C ALA B 33 -4.465 1.811 -2.040 1.00 0.00 C ATOM 554 O ALA B 33 -3.928 0.879 -1.490 1.00 0.00 O ATOM 555 CB ALA B 33 -5.865 3.444 -0.777 1.00 0.00 C ATOM 0 H ALA B 33 -4.781 5.094 -2.307 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.715 3.225 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.085 2.663 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.875 4.415 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.620 3.430 -1.563 1.00 0.00 H new ATOM 561 N LYS B 34 -5.067 1.646 -3.186 1.00 0.00 N ATOM 562 CA LYS B 34 -5.089 0.287 -3.815 1.00 0.00 C ATOM 563 C LYS B 34 -3.820 0.021 -4.621 1.00 0.00 C ATOM 564 O LYS B 34 -3.375 -1.106 -4.705 1.00 0.00 O ATOM 565 CB LYS B 34 -6.312 0.163 -4.725 1.00 0.00 C ATOM 566 CG LYS B 34 -6.544 -1.309 -5.084 1.00 0.00 C ATOM 567 CD LYS B 34 -7.468 -1.403 -6.302 1.00 0.00 C ATOM 568 CE LYS B 34 -8.756 -0.621 -6.034 1.00 0.00 C ATOM 569 NZ LYS B 34 -9.786 -1.006 -7.041 1.00 0.00 N ATOM 0 H LYS B 34 -5.540 2.381 -3.712 1.00 0.00 H new ATOM 0 HA LYS B 34 -5.142 -0.453 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -7.192 0.568 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -6.163 0.749 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -5.592 -1.795 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -6.987 -1.834 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -6.966 -1.004 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -7.702 -2.446 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -9.119 -0.830 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -8.562 0.450 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -10.663 -0.476 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -9.438 -0.785 -7.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -9.977 -2.026 -6.969 1.00 0.00 H new ATOM 583 N PHE B 35 -3.213 1.022 -5.205 1.00 0.00 N ATOM 584 CA PHE B 35 -1.961 0.768 -5.974 1.00 0.00 C ATOM 585 C PHE B 35 -1.033 -0.054 -5.075 1.00 0.00 C ATOM 586 O PHE B 35 -0.121 -0.723 -5.518 1.00 0.00 O ATOM 587 CB PHE B 35 -1.313 2.123 -6.329 1.00 0.00 C ATOM 588 CG PHE B 35 -1.342 2.362 -7.818 1.00 0.00 C ATOM 589 CD1 PHE B 35 -2.451 2.968 -8.421 1.00 0.00 C ATOM 590 CD2 PHE B 35 -0.254 1.976 -8.584 1.00 0.00 C ATOM 591 CE1 PHE B 35 -2.459 3.185 -9.804 1.00 0.00 C ATOM 592 CE2 PHE B 35 -0.255 2.189 -9.967 1.00 0.00 C ATOM 593 CZ PHE B 35 -1.359 2.794 -10.579 1.00 0.00 C ATOM 0 H PHE B 35 -3.526 1.992 -5.183 1.00 0.00 H new ATOM 0 HA PHE B 35 -2.158 0.226 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -1.841 2.928 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE B 35 -0.283 2.142 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE B 35 -3.298 3.267 -7.821 1.00 0.00 H new ATOM 0 HD2 PHE B 35 0.598 1.509 -8.112 1.00 0.00 H new ATOM 0 HE1 PHE B 35 -3.312 3.653 -10.273 1.00 0.00 H new ATOM 0 HE2 PHE B 35 0.595 1.887 -10.561 1.00 0.00 H new ATOM 0 HZ PHE B 35 -1.363 2.959 -11.646 1.00 0.00 H new ATOM 603 N GLU B 36 -1.298 0.009 -3.806 1.00 0.00 N ATOM 604 CA GLU B 36 -0.501 -0.732 -2.809 1.00 0.00 C ATOM 605 C GLU B 36 -0.693 -2.243 -3.004 1.00 0.00 C ATOM 606 O GLU B 36 0.138 -3.040 -2.615 1.00 0.00 O ATOM 607 CB GLU B 36 -0.981 -0.288 -1.412 1.00 0.00 C ATOM 608 CG GLU B 36 -2.210 -1.089 -0.946 1.00 0.00 C ATOM 609 CD GLU B 36 -1.777 -2.450 -0.390 1.00 0.00 C ATOM 610 OE1 GLU B 36 -0.586 -2.716 -0.385 1.00 0.00 O ATOM 611 OE2 GLU B 36 -2.645 -3.202 0.021 1.00 0.00 O ATOM 0 H GLU B 36 -2.058 0.562 -3.410 1.00 0.00 H new ATOM 0 HA GLU B 36 0.562 -0.521 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -0.172 -0.414 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.226 0.774 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -2.748 -0.530 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.898 -1.231 -1.780 1.00 0.00 H new ATOM 618 N GLU B 37 -1.780 -2.642 -3.612 1.00 0.00 N ATOM 619 CA GLU B 37 -2.021 -4.098 -3.839 1.00 0.00 C ATOM 620 C GLU B 37 -1.349 -4.484 -5.143 1.00 0.00 C ATOM 621 O GLU B 37 -0.737 -5.526 -5.272 1.00 0.00 O ATOM 622 CB GLU B 37 -3.524 -4.362 -3.936 1.00 0.00 C ATOM 623 CG GLU B 37 -4.147 -4.300 -2.540 1.00 0.00 C ATOM 624 CD GLU B 37 -3.716 -5.528 -1.736 1.00 0.00 C ATOM 625 OE1 GLU B 37 -3.600 -6.587 -2.328 1.00 0.00 O ATOM 626 OE2 GLU B 37 -3.511 -5.387 -0.542 1.00 0.00 O ATOM 0 H GLU B 37 -2.511 -2.022 -3.961 1.00 0.00 H new ATOM 0 HA GLU B 37 -1.616 -4.684 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.992 -3.624 -4.587 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -3.704 -5.340 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -3.833 -3.389 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -5.234 -4.265 -2.616 1.00 0.00 H new ATOM 633 N GLU B 38 -1.462 -3.624 -6.107 1.00 0.00 N ATOM 634 CA GLU B 38 -0.846 -3.865 -7.435 1.00 0.00 C ATOM 635 C GLU B 38 0.578 -4.401 -7.243 1.00 0.00 C ATOM 636 O GLU B 38 1.039 -5.252 -7.979 1.00 0.00 O ATOM 637 CB GLU B 38 -0.835 -2.518 -8.186 1.00 0.00 C ATOM 638 CG GLU B 38 -1.932 -2.491 -9.260 1.00 0.00 C ATOM 639 CD GLU B 38 -1.858 -1.175 -10.034 1.00 0.00 C ATOM 640 OE1 GLU B 38 -1.222 -0.258 -9.545 1.00 0.00 O ATOM 641 OE2 GLU B 38 -2.441 -1.107 -11.104 1.00 0.00 O ATOM 0 H GLU B 38 -1.968 -2.742 -6.029 1.00 0.00 H new ATOM 0 HA GLU B 38 -1.406 -4.603 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -0.988 -1.701 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU B 38 0.139 -2.361 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -1.809 -3.333 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.912 -2.597 -8.796 1.00 0.00 H new ATOM 648 N ARG B 39 1.271 -3.916 -6.254 1.00 0.00 N ATOM 649 CA ARG B 39 2.654 -4.404 -6.006 1.00 0.00 C ATOM 650 C ARG B 39 2.595 -5.881 -5.636 1.00 0.00 C ATOM 651 O ARG B 39 3.154 -6.730 -6.303 1.00 0.00 O ATOM 652 CB ARG B 39 3.256 -3.624 -4.839 1.00 0.00 C ATOM 653 CG ARG B 39 4.750 -3.929 -4.736 1.00 0.00 C ATOM 654 CD ARG B 39 5.344 -3.181 -3.543 1.00 0.00 C ATOM 655 NE ARG B 39 4.730 -3.689 -2.283 1.00 0.00 N ATOM 656 CZ ARG B 39 5.288 -3.424 -1.132 1.00 0.00 C ATOM 657 NH1 ARG B 39 6.381 -2.714 -1.084 1.00 0.00 N ATOM 658 NH2 ARG B 39 4.751 -3.870 -0.030 1.00 0.00 N ATOM 0 H ARG B 39 0.939 -3.202 -5.606 1.00 0.00 H new ATOM 0 HA ARG B 39 3.264 -4.265 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG B 39 3.102 -2.555 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG B 39 2.754 -3.895 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG B 39 4.905 -5.002 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG B 39 5.257 -3.631 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG B 39 6.425 -3.319 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG B 39 5.162 -2.111 -3.643 1.00 0.00 H new ATOM 0 HE ARG B 39 3.875 -4.243 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG B 39 6.801 -2.365 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG B 39 6.816 -2.508 -0.185 1.00 0.00 H new ATOM 0 HH21 ARG B 39 3.896 -4.425 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG B 39 5.186 -3.664 0.869 1.00 0.00 H new ATOM 672 N ALA B 40 1.920 -6.184 -4.568 1.00 0.00 N ATOM 673 CA ALA B 40 1.807 -7.601 -4.119 1.00 0.00 C ATOM 674 C ALA B 40 0.926 -8.396 -5.091 1.00 0.00 C ATOM 675 O ALA B 40 1.021 -9.604 -5.171 1.00 0.00 O ATOM 676 CB ALA B 40 1.183 -7.641 -2.722 1.00 0.00 C ATOM 0 H ALA B 40 1.436 -5.507 -3.979 1.00 0.00 H new ATOM 0 HA ALA B 40 2.801 -8.047 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA B 40 1.099 -8.676 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA B 40 1.813 -7.087 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA B 40 0.192 -7.188 -2.753 1.00 0.00 H new ATOM 682 N ARG B 41 0.068 -7.739 -5.828 1.00 0.00 N ATOM 683 CA ARG B 41 -0.808 -8.483 -6.782 1.00 0.00 C ATOM 684 C ARG B 41 -0.037 -8.755 -8.076 1.00 0.00 C ATOM 685 O ARG B 41 -0.457 -9.533 -8.909 1.00 0.00 O ATOM 686 CB ARG B 41 -2.054 -7.647 -7.095 1.00 0.00 C ATOM 687 CG ARG B 41 -3.140 -8.546 -7.707 1.00 0.00 C ATOM 688 CD ARG B 41 -4.388 -7.708 -8.071 1.00 0.00 C ATOM 689 NE ARG B 41 -5.629 -8.414 -7.614 1.00 0.00 N ATOM 690 CZ ARG B 41 -5.814 -9.688 -7.850 1.00 0.00 C ATOM 691 NH1 ARG B 41 -4.963 -10.355 -8.580 1.00 0.00 N ATOM 692 NH2 ARG B 41 -6.872 -10.286 -7.377 1.00 0.00 N ATOM 0 H ARG B 41 -0.064 -6.728 -5.811 1.00 0.00 H new ATOM 0 HA ARG B 41 -1.111 -9.429 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -2.427 -7.178 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -1.801 -6.844 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -2.753 -9.040 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -3.413 -9.330 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -4.326 -6.725 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -4.427 -7.547 -9.148 1.00 0.00 H new ATOM 0 HE ARG B 41 -6.344 -7.891 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -4.147 -9.884 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -5.113 -11.348 -8.760 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -7.551 -9.761 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -7.021 -11.279 -7.558 1.00 0.00 H new ATOM 706 N ALA B 42 1.088 -8.119 -8.249 1.00 0.00 N ATOM 707 CA ALA B 42 1.884 -8.338 -9.489 1.00 0.00 C ATOM 708 C ALA B 42 2.393 -9.779 -9.525 1.00 0.00 C ATOM 709 O ALA B 42 3.518 -10.054 -9.161 1.00 0.00 O ATOM 710 CB ALA B 42 3.076 -7.381 -9.507 1.00 0.00 C ATOM 0 H ALA B 42 1.491 -7.457 -7.586 1.00 0.00 H new ATOM 0 HA ALA B 42 1.253 -8.153 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA B 42 3.658 -7.542 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.717 -6.352 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA B 42 3.704 -7.566 -8.636 1.00 0.00 H new ATOM 716 N LYS B 43 1.576 -10.696 -9.970 1.00 0.00 N ATOM 717 CA LYS B 43 2.011 -12.122 -10.041 1.00 0.00 C ATOM 718 C LYS B 43 2.547 -12.582 -8.684 1.00 0.00 C ATOM 719 O LYS B 43 1.841 -13.180 -7.896 1.00 0.00 O ATOM 720 CB LYS B 43 3.110 -12.267 -11.103 1.00 0.00 C ATOM 721 CG LYS B 43 2.484 -12.239 -12.502 1.00 0.00 C ATOM 722 CD LYS B 43 3.593 -12.334 -13.582 1.00 0.00 C ATOM 723 CE LYS B 43 3.141 -13.255 -14.719 1.00 0.00 C ATOM 724 NZ LYS B 43 4.022 -13.055 -15.904 1.00 0.00 N ATOM 0 H LYS B 43 0.623 -10.519 -10.288 1.00 0.00 H new ATOM 0 HA LYS B 43 1.155 -12.741 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS B 43 3.835 -11.459 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS B 43 3.651 -13.202 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS B 43 1.785 -13.068 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS B 43 1.913 -11.320 -12.635 1.00 0.00 H new ATOM 0 HD2 LYS B 43 3.816 -11.342 -13.974 1.00 0.00 H new ATOM 0 HD3 LYS B 43 4.512 -12.715 -13.138 1.00 0.00 H new ATOM 0 HE2 LYS B 43 3.180 -14.295 -14.395 1.00 0.00 H new ATOM 0 HE3 LYS B 43 2.105 -13.042 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 3.714 -13.681 -16.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 3.963 -12.065 -16.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 5.005 -13.279 -15.648 1.00 0.00 H new ATOM 738 N TRP B 44 3.797 -12.318 -8.425 1.00 0.00 N ATOM 739 CA TRP B 44 4.429 -12.739 -7.133 1.00 0.00 C ATOM 740 C TRP B 44 3.448 -12.550 -5.967 1.00 0.00 C ATOM 741 O TRP B 44 2.550 -11.732 -6.020 1.00 0.00 O ATOM 742 CB TRP B 44 5.700 -11.899 -6.886 1.00 0.00 C ATOM 743 CG TRP B 44 6.294 -11.478 -8.194 1.00 0.00 C ATOM 744 CD1 TRP B 44 6.560 -10.199 -8.546 1.00 0.00 C ATOM 745 CD2 TRP B 44 6.694 -12.305 -9.326 1.00 0.00 C ATOM 746 NE1 TRP B 44 7.098 -10.188 -9.820 1.00 0.00 N ATOM 747 CE2 TRP B 44 7.200 -11.461 -10.343 1.00 0.00 C ATOM 748 CE3 TRP B 44 6.668 -13.691 -9.569 1.00 0.00 C ATOM 749 CZ2 TRP B 44 7.663 -11.972 -11.555 1.00 0.00 C ATOM 750 CZ3 TRP B 44 7.133 -14.208 -10.789 1.00 0.00 C ATOM 751 CH2 TRP B 44 7.629 -13.349 -11.780 1.00 0.00 C ATOM 0 H TRP B 44 4.421 -11.821 -9.061 1.00 0.00 H new ATOM 0 HA TRP B 44 4.693 -13.795 -7.197 1.00 0.00 H new ATOM 0 HB2 TRP B 44 5.456 -11.021 -6.288 1.00 0.00 H new ATOM 0 HB3 TRP B 44 6.426 -12.480 -6.317 1.00 0.00 H new ATOM 0 HD1 TRP B 44 6.381 -9.329 -7.932 1.00 0.00 H new ATOM 0 HE1 TRP B 44 7.384 -9.342 -10.313 1.00 0.00 H new ATOM 0 HE3 TRP B 44 6.288 -14.361 -8.812 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 8.045 -11.306 -12.315 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 7.108 -15.273 -10.965 1.00 0.00 H new ATOM 0 HH2 TRP B 44 7.984 -13.753 -12.717 1.00 0.00 H new ATOM 762 N ASP B 45 3.619 -13.306 -4.914 1.00 0.00 N ATOM 763 CA ASP B 45 2.708 -13.180 -3.740 1.00 0.00 C ATOM 764 C ASP B 45 3.408 -13.732 -2.494 1.00 0.00 C ATOM 765 O ASP B 45 4.147 -14.694 -2.562 1.00 0.00 O ATOM 766 CB ASP B 45 1.429 -13.978 -3.998 1.00 0.00 C ATOM 767 CG ASP B 45 0.662 -13.351 -5.164 1.00 0.00 C ATOM 768 OD1 ASP B 45 0.381 -12.165 -5.093 1.00 0.00 O ATOM 769 OD2 ASP B 45 0.367 -14.067 -6.106 1.00 0.00 O ATOM 0 H ASP B 45 4.353 -14.007 -4.817 1.00 0.00 H new ATOM 0 HA ASP B 45 2.457 -12.131 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP B 45 1.675 -15.015 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP B 45 0.807 -13.987 -3.103 1.00 0.00 H new ATOM 774 N THR B 46 3.183 -13.132 -1.356 1.00 0.00 N ATOM 775 CA THR B 46 3.839 -13.627 -0.112 1.00 0.00 C ATOM 776 C THR B 46 3.311 -15.025 0.224 1.00 0.00 C ATOM 777 O THR B 46 2.304 -15.174 0.887 1.00 0.00 O ATOM 778 CB THR B 46 3.527 -12.673 1.043 1.00 0.00 C ATOM 779 OG1 THR B 46 2.133 -12.705 1.318 1.00 0.00 O ATOM 780 CG2 THR B 46 3.943 -11.252 0.662 1.00 0.00 C ATOM 0 H THR B 46 2.575 -12.322 -1.234 1.00 0.00 H new ATOM 0 HA THR B 46 4.917 -13.674 -0.264 1.00 0.00 H new ATOM 0 HB THR B 46 4.079 -12.983 1.930 1.00 0.00 H new ATOM 0 HG1 THR B 46 1.789 -13.608 1.157 1.00 0.00 H new ATOM 0 HG21 THR B 46 3.720 -10.574 1.486 1.00 0.00 H new ATOM 0 HG22 THR B 46 5.013 -11.230 0.453 1.00 0.00 H new ATOM 0 HG23 THR B 46 3.394 -10.938 -0.225 1.00 0.00 H new ATOM 788 N ALA B 47 3.984 -16.049 -0.228 1.00 0.00 N ATOM 789 CA ALA B 47 3.524 -17.440 0.065 1.00 0.00 C ATOM 790 C ALA B 47 4.137 -17.912 1.385 1.00 0.00 C ATOM 791 O ALA B 47 4.661 -17.130 2.153 1.00 0.00 O ATOM 792 CB ALA B 47 3.973 -18.370 -1.064 1.00 0.00 C ATOM 0 H ALA B 47 4.834 -15.983 -0.788 1.00 0.00 H new ATOM 0 HA ALA B 47 2.437 -17.456 0.142 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.639 -19.386 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA B 47 3.540 -18.034 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA B 47 5.060 -18.354 -1.138 1.00 0.00 H new ATOM 798 N ASN B 48 4.077 -19.189 1.655 1.00 0.00 N ATOM 799 CA ASN B 48 4.658 -19.713 2.925 1.00 0.00 C ATOM 800 C ASN B 48 4.964 -21.206 2.769 1.00 0.00 C ATOM 801 O ASN B 48 4.613 -21.822 1.783 1.00 0.00 O ATOM 802 CB ASN B 48 3.660 -19.513 4.067 1.00 0.00 C ATOM 803 CG ASN B 48 4.328 -19.863 5.397 1.00 0.00 C ATOM 804 OD1 ASN B 48 3.881 -20.745 6.102 1.00 0.00 O ATOM 805 ND2 ASN B 48 5.391 -19.204 5.772 1.00 0.00 N ATOM 0 H ASN B 48 3.651 -19.892 1.051 1.00 0.00 H new ATOM 0 HA ASN B 48 5.578 -19.175 3.151 1.00 0.00 H new ATOM 0 HB2 ASN B 48 3.313 -18.480 4.083 1.00 0.00 H new ATOM 0 HB3 ASN B 48 2.783 -20.142 3.912 1.00 0.00 H new ATOM 0 HD21 ASN B 48 5.846 -19.430 6.657 1.00 0.00 H new ATOM 0 HD22 ASN B 48 5.767 -18.463 5.180 1.00 0.00 H new ATOM 812 N ASN B 49 5.622 -21.789 3.735 1.00 0.00 N ATOM 813 CA ASN B 49 5.958 -23.239 3.642 1.00 0.00 C ATOM 814 C ASN B 49 6.550 -23.713 4.989 1.00 0.00 C ATOM 815 O ASN B 49 7.706 -23.447 5.252 1.00 0.00 O ATOM 816 CB ASN B 49 7.009 -23.435 2.548 1.00 0.00 C ATOM 817 CG ASN B 49 7.144 -24.926 2.232 1.00 0.00 C ATOM 818 OD1 ASN B 49 6.247 -25.700 2.505 1.00 0.00 O ATOM 819 ND2 ASN B 49 8.234 -25.364 1.663 1.00 0.00 N ATOM 0 H ASN B 49 5.941 -21.324 4.585 1.00 0.00 H new ATOM 0 HA ASN B 49 5.060 -23.811 3.410 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.722 -22.887 1.651 1.00 0.00 H new ATOM 0 HB3 ASN B 49 7.968 -23.033 2.874 1.00 0.00 H new ATOM 0 HD21 ASN B 49 8.333 -26.356 1.447 1.00 0.00 H new ATOM 0 HD22 ASN B 49 8.986 -24.714 1.434 1.00 0.00 H new ATOM 826 N PRO B 50 5.770 -24.387 5.822 1.00 0.00 N ATOM 827 CA PRO B 50 6.282 -24.852 7.126 1.00 0.00 C ATOM 828 C PRO B 50 7.484 -25.788 6.918 1.00 0.00 C ATOM 829 O PRO B 50 8.619 -25.401 7.114 1.00 0.00 O ATOM 830 CB PRO B 50 5.089 -25.583 7.790 1.00 0.00 C ATOM 831 CG PRO B 50 3.858 -25.404 6.854 1.00 0.00 C ATOM 832 CD PRO B 50 4.358 -24.738 5.553 1.00 0.00 C ATOM 0 HA PRO B 50 6.639 -24.036 7.754 1.00 0.00 H new ATOM 0 HB2 PRO B 50 5.315 -26.640 7.929 1.00 0.00 H new ATOM 0 HB3 PRO B 50 4.885 -25.168 8.777 1.00 0.00 H new ATOM 0 HG2 PRO B 50 3.397 -26.368 6.639 1.00 0.00 H new ATOM 0 HG3 PRO B 50 3.098 -24.787 7.333 1.00 0.00 H new ATOM 0 HD2 PRO B 50 4.275 -25.417 4.704 1.00 0.00 H new ATOM 0 HD3 PRO B 50 3.770 -23.852 5.311 1.00 0.00 H new ATOM 840 N LEU B 51 7.246 -27.010 6.526 1.00 0.00 N ATOM 841 CA LEU B 51 8.383 -27.953 6.312 1.00 0.00 C ATOM 842 C LEU B 51 7.881 -29.226 5.630 1.00 0.00 C ATOM 843 O LEU B 51 8.526 -29.767 4.754 1.00 0.00 O ATOM 844 CB LEU B 51 9.016 -28.302 7.669 1.00 0.00 C ATOM 845 CG LEU B 51 7.950 -28.898 8.634 1.00 0.00 C ATOM 846 CD1 LEU B 51 8.046 -30.431 8.663 1.00 0.00 C ATOM 847 CD2 LEU B 51 8.177 -28.366 10.057 1.00 0.00 C ATOM 0 H LEU B 51 6.319 -27.396 6.345 1.00 0.00 H new ATOM 0 HA LEU B 51 9.130 -27.482 5.673 1.00 0.00 H new ATOM 0 HB2 LEU B 51 9.825 -29.018 7.525 1.00 0.00 H new ATOM 0 HB3 LEU B 51 9.456 -27.408 8.112 1.00 0.00 H new ATOM 0 HG LEU B 51 6.964 -28.602 8.276 1.00 0.00 H new ATOM 0 HD11 LEU B 51 7.293 -30.830 9.343 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.876 -30.825 7.661 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.038 -30.727 9.006 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.427 -28.787 10.727 1.00 0.00 H new ATOM 0 HD22 LEU B 51 9.171 -28.653 10.399 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.094 -27.279 10.057 1.00 0.00 H new ATOM 859 N TYR B 52 6.739 -29.714 6.026 1.00 0.00 N ATOM 860 CA TYR B 52 6.203 -30.956 5.402 1.00 0.00 C ATOM 861 C TYR B 52 7.280 -32.043 5.428 1.00 0.00 C ATOM 862 O TYR B 52 8.139 -32.100 4.570 1.00 0.00 O ATOM 863 CB TYR B 52 5.804 -30.670 3.953 1.00 0.00 C ATOM 864 CG TYR B 52 5.216 -31.919 3.342 1.00 0.00 C ATOM 865 CD1 TYR B 52 3.851 -32.194 3.488 1.00 0.00 C ATOM 866 CD2 TYR B 52 6.036 -32.802 2.629 1.00 0.00 C ATOM 867 CE1 TYR B 52 3.307 -33.353 2.923 1.00 0.00 C ATOM 868 CE2 TYR B 52 5.490 -33.961 2.063 1.00 0.00 C ATOM 869 CZ TYR B 52 4.126 -34.236 2.210 1.00 0.00 C ATOM 870 OH TYR B 52 3.588 -35.379 1.653 1.00 0.00 O ATOM 0 H TYR B 52 6.153 -29.307 6.755 1.00 0.00 H new ATOM 0 HA TYR B 52 5.329 -31.294 5.959 1.00 0.00 H new ATOM 0 HB2 TYR B 52 5.078 -29.857 3.917 1.00 0.00 H new ATOM 0 HB3 TYR B 52 6.674 -30.346 3.381 1.00 0.00 H new ATOM 0 HD1 TYR B 52 3.218 -31.512 4.036 1.00 0.00 H new ATOM 0 HD2 TYR B 52 7.089 -32.590 2.516 1.00 0.00 H new ATOM 0 HE1 TYR B 52 2.254 -33.566 3.037 1.00 0.00 H new ATOM 0 HE2 TYR B 52 6.122 -34.643 1.513 1.00 0.00 H new ATOM 0 HH TYR B 52 4.292 -35.881 1.192 1.00 0.00 H new ATOM 880 N LYS B 53 7.243 -32.905 6.407 1.00 0.00 N ATOM 881 CA LYS B 53 8.265 -33.988 6.493 1.00 0.00 C ATOM 882 C LYS B 53 8.408 -34.670 5.130 1.00 0.00 C ATOM 883 O LYS B 53 7.437 -35.076 4.523 1.00 0.00 O ATOM 884 CB LYS B 53 7.825 -35.023 7.536 1.00 0.00 C ATOM 885 CG LYS B 53 7.620 -34.349 8.906 1.00 0.00 C ATOM 886 CD LYS B 53 8.957 -34.243 9.650 1.00 0.00 C ATOM 887 CE LYS B 53 8.742 -33.527 10.986 1.00 0.00 C ATOM 888 NZ LYS B 53 7.801 -34.320 11.830 1.00 0.00 N ATOM 0 H LYS B 53 6.548 -32.906 7.153 1.00 0.00 H new ATOM 0 HA LYS B 53 9.223 -33.558 6.785 1.00 0.00 H new ATOM 0 HB2 LYS B 53 6.899 -35.500 7.216 1.00 0.00 H new ATOM 0 HB3 LYS B 53 8.577 -35.808 7.618 1.00 0.00 H new ATOM 0 HG2 LYS B 53 7.191 -33.356 8.770 1.00 0.00 H new ATOM 0 HG3 LYS B 53 6.910 -34.924 9.500 1.00 0.00 H new ATOM 0 HD2 LYS B 53 9.370 -35.237 9.820 1.00 0.00 H new ATOM 0 HD3 LYS B 53 9.680 -33.697 9.044 1.00 0.00 H new ATOM 0 HE2 LYS B 53 9.694 -33.404 11.502 1.00 0.00 H new ATOM 0 HE3 LYS B 53 8.340 -32.528 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 7.897 -34.030 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 6.825 -34.152 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 8.024 -35.332 11.742 1.00 0.00 H new ATOM 902 N GLU B 54 9.614 -34.801 4.647 1.00 0.00 N ATOM 903 CA GLU B 54 9.822 -35.458 3.326 1.00 0.00 C ATOM 904 C GLU B 54 9.260 -36.880 3.367 1.00 0.00 C ATOM 905 O GLU B 54 8.255 -37.178 2.753 1.00 0.00 O ATOM 906 CB GLU B 54 11.320 -35.511 3.016 1.00 0.00 C ATOM 907 CG GLU B 54 11.524 -35.852 1.537 1.00 0.00 C ATOM 908 CD GLU B 54 11.184 -34.632 0.680 1.00 0.00 C ATOM 909 OE1 GLU B 54 10.925 -33.585 1.250 1.00 0.00 O ATOM 910 OE2 GLU B 54 11.188 -34.765 -0.533 1.00 0.00 O ATOM 0 H GLU B 54 10.464 -34.481 5.111 1.00 0.00 H new ATOM 0 HA GLU B 54 9.308 -34.888 2.552 1.00 0.00 H new ATOM 0 HB2 GLU B 54 11.784 -34.552 3.246 1.00 0.00 H new ATOM 0 HB3 GLU B 54 11.806 -36.259 3.643 1.00 0.00 H new ATOM 0 HG2 GLU B 54 12.556 -36.156 1.362 1.00 0.00 H new ATOM 0 HG3 GLU B 54 10.892 -36.694 1.257 1.00 0.00 H new ATOM 917 N ALA B 55 9.901 -37.762 4.085 1.00 0.00 N ATOM 918 CA ALA B 55 9.401 -39.164 4.162 1.00 0.00 C ATOM 919 C ALA B 55 7.957 -39.163 4.665 1.00 0.00 C ATOM 920 O ALA B 55 7.429 -38.144 5.062 1.00 0.00 O ATOM 921 CB ALA B 55 10.277 -39.968 5.127 1.00 0.00 C ATOM 0 H ALA B 55 10.748 -37.573 4.621 1.00 0.00 H new ATOM 0 HA ALA B 55 9.441 -39.618 3.172 1.00 0.00 H new ATOM 0 HB1 ALA B 55 9.911 -40.993 5.183 1.00 0.00 H new ATOM 0 HB2 ALA B 55 11.306 -39.969 4.769 1.00 0.00 H new ATOM 0 HB3 ALA B 55 10.238 -39.514 6.117 1.00 0.00 H new ATOM 927 N THR B 56 7.314 -40.298 4.651 1.00 0.00 N ATOM 928 CA THR B 56 5.905 -40.360 5.129 1.00 0.00 C ATOM 929 C THR B 56 5.831 -39.846 6.567 1.00 0.00 C ATOM 930 O THR B 56 6.838 -39.595 7.200 1.00 0.00 O ATOM 931 CB THR B 56 5.413 -41.808 5.079 1.00 0.00 C ATOM 932 OG1 THR B 56 6.000 -42.542 6.144 1.00 0.00 O ATOM 933 CG2 THR B 56 5.811 -42.438 3.742 1.00 0.00 C ATOM 0 H THR B 56 7.703 -41.184 4.329 1.00 0.00 H new ATOM 0 HA THR B 56 5.277 -39.740 4.489 1.00 0.00 H new ATOM 0 HB THR B 56 4.328 -41.828 5.178 1.00 0.00 H new ATOM 0 HG1 THR B 56 5.685 -43.469 6.115 1.00 0.00 H new ATOM 0 HG21 THR B 56 5.460 -43.469 3.707 1.00 0.00 H new ATOM 0 HG22 THR B 56 5.361 -41.874 2.925 1.00 0.00 H new ATOM 0 HG23 THR B 56 6.896 -42.420 3.640 1.00 0.00 H new ATOM 941 N SER B 57 4.646 -39.685 7.091 1.00 0.00 N ATOM 942 CA SER B 57 4.509 -39.185 8.488 1.00 0.00 C ATOM 943 C SER B 57 5.082 -40.218 9.460 1.00 0.00 C ATOM 944 O SER B 57 4.396 -41.121 9.896 1.00 0.00 O ATOM 945 CB SER B 57 3.031 -38.954 8.803 1.00 0.00 C ATOM 946 OG SER B 57 2.353 -40.204 8.811 1.00 0.00 O ATOM 0 H SER B 57 3.767 -39.878 6.611 1.00 0.00 H new ATOM 0 HA SER B 57 5.055 -38.247 8.593 1.00 0.00 H new ATOM 0 HB2 SER B 57 2.926 -38.464 9.771 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.588 -38.291 8.060 1.00 0.00 H new ATOM 0 HG SER B 57 2.916 -40.879 9.244 1.00 0.00 H new ATOM 952 N THR B 58 6.336 -40.095 9.801 1.00 0.00 N ATOM 953 CA THR B 58 6.949 -41.071 10.744 1.00 0.00 C ATOM 954 C THR B 58 8.284 -40.522 11.251 1.00 0.00 C ATOM 955 O THR B 58 8.956 -39.771 10.571 1.00 0.00 O ATOM 956 CB THR B 58 7.185 -42.399 10.021 1.00 0.00 C ATOM 957 OG1 THR B 58 5.936 -42.947 9.624 1.00 0.00 O ATOM 958 CG2 THR B 58 7.898 -43.375 10.960 1.00 0.00 C ATOM 0 H THR B 58 6.961 -39.361 9.467 1.00 0.00 H new ATOM 0 HA THR B 58 6.278 -41.231 11.588 1.00 0.00 H new ATOM 0 HB THR B 58 7.805 -42.229 9.141 1.00 0.00 H new ATOM 0 HG1 THR B 58 5.212 -42.494 10.105 1.00 0.00 H new ATOM 0 HG21 THR B 58 8.065 -44.320 10.444 1.00 0.00 H new ATOM 0 HG22 THR B 58 8.856 -42.953 11.264 1.00 0.00 H new ATOM 0 HG23 THR B 58 7.281 -43.548 11.842 1.00 0.00 H new ATOM 966 N PHE B 59 8.675 -40.891 12.440 1.00 0.00 N ATOM 967 CA PHE B 59 9.966 -40.389 12.990 1.00 0.00 C ATOM 968 C PHE B 59 10.414 -41.289 14.144 1.00 0.00 C ATOM 969 O PHE B 59 9.612 -41.941 14.783 1.00 0.00 O ATOM 970 CB PHE B 59 9.783 -38.958 13.499 1.00 0.00 C ATOM 971 CG PHE B 59 8.818 -38.953 14.662 1.00 0.00 C ATOM 972 CD1 PHE B 59 7.440 -39.026 14.428 1.00 0.00 C ATOM 973 CD2 PHE B 59 9.302 -38.875 15.974 1.00 0.00 C ATOM 974 CE1 PHE B 59 6.545 -39.020 15.505 1.00 0.00 C ATOM 975 CE2 PHE B 59 8.407 -38.868 17.051 1.00 0.00 C ATOM 976 CZ PHE B 59 7.029 -38.941 16.817 1.00 0.00 C ATOM 0 H PHE B 59 8.156 -41.518 13.054 1.00 0.00 H new ATOM 0 HA PHE B 59 10.723 -40.401 12.206 1.00 0.00 H new ATOM 0 HB2 PHE B 59 10.743 -38.546 13.809 1.00 0.00 H new ATOM 0 HB3 PHE B 59 9.406 -38.322 12.698 1.00 0.00 H new ATOM 0 HD1 PHE B 59 7.067 -39.087 13.416 1.00 0.00 H new ATOM 0 HD2 PHE B 59 10.365 -38.820 16.155 1.00 0.00 H new ATOM 0 HE1 PHE B 59 5.482 -39.076 15.324 1.00 0.00 H new ATOM 0 HE2 PHE B 59 8.780 -38.806 18.063 1.00 0.00 H new ATOM 0 HZ PHE B 59 6.339 -38.936 17.648 1.00 0.00 H new ATOM 986 N THR B 60 11.693 -41.330 14.416 1.00 0.00 N ATOM 987 CA THR B 60 12.202 -42.187 15.530 1.00 0.00 C ATOM 988 C THR B 60 13.404 -41.504 16.185 1.00 0.00 C ATOM 989 O THR B 60 14.310 -41.052 15.514 1.00 0.00 O ATOM 990 CB THR B 60 12.630 -43.547 14.971 1.00 0.00 C ATOM 991 OG1 THR B 60 13.899 -43.419 14.344 1.00 0.00 O ATOM 992 CG2 THR B 60 11.600 -44.031 13.948 1.00 0.00 C ATOM 0 H THR B 60 12.409 -40.806 13.913 1.00 0.00 H new ATOM 0 HA THR B 60 11.415 -42.330 16.271 1.00 0.00 H new ATOM 0 HB THR B 60 12.695 -44.270 15.784 1.00 0.00 H new ATOM 0 HG1 THR B 60 14.184 -42.482 14.371 1.00 0.00 H new ATOM 0 HG21 THR B 60 11.907 -44.999 13.552 1.00 0.00 H new ATOM 0 HG22 THR B 60 10.627 -44.128 14.429 1.00 0.00 H new ATOM 0 HG23 THR B 60 11.531 -43.311 13.133 1.00 0.00 H new ATOM 1000 N ASN B 61 13.411 -41.430 17.495 1.00 0.00 N ATOM 1001 CA ASN B 61 14.545 -40.780 18.225 1.00 0.00 C ATOM 1002 C ASN B 61 14.992 -39.511 17.493 1.00 0.00 C ATOM 1003 O ASN B 61 14.290 -38.987 16.650 1.00 0.00 O ATOM 1004 CB ASN B 61 15.720 -41.759 18.333 1.00 0.00 C ATOM 1005 CG ASN B 61 16.135 -42.228 16.937 1.00 0.00 C ATOM 1006 OD1 ASN B 61 16.821 -41.521 16.225 1.00 0.00 O ATOM 1007 ND2 ASN B 61 15.747 -43.399 16.513 1.00 0.00 N ATOM 0 H ASN B 61 12.672 -41.796 18.095 1.00 0.00 H new ATOM 0 HA ASN B 61 14.209 -40.507 19.225 1.00 0.00 H new ATOM 0 HB2 ASN B 61 16.562 -41.277 18.830 1.00 0.00 H new ATOM 0 HB3 ASN B 61 15.436 -42.615 18.945 1.00 0.00 H new ATOM 0 HD21 ASN B 61 16.019 -43.721 15.584 1.00 0.00 H new ATOM 0 HD22 ASN B 61 15.171 -43.993 17.110 1.00 0.00 H new ATOM 1014 N ILE B 62 16.157 -39.008 17.812 1.00 0.00 N ATOM 1015 CA ILE B 62 16.652 -37.769 17.139 1.00 0.00 C ATOM 1016 C ILE B 62 17.457 -38.150 15.895 1.00 0.00 C ATOM 1017 O ILE B 62 17.539 -37.399 14.943 1.00 0.00 O ATOM 1018 CB ILE B 62 17.547 -36.989 18.105 1.00 0.00 C ATOM 1019 CG1 ILE B 62 17.964 -35.667 17.458 1.00 0.00 C ATOM 1020 CG2 ILE B 62 18.794 -37.815 18.428 1.00 0.00 C ATOM 1021 CD1 ILE B 62 18.559 -34.741 18.520 1.00 0.00 C ATOM 0 H ILE B 62 16.788 -39.402 18.510 1.00 0.00 H new ATOM 0 HA ILE B 62 15.803 -37.150 16.847 1.00 0.00 H new ATOM 0 HB ILE B 62 16.998 -36.787 19.025 1.00 0.00 H new ATOM 0 HG12 ILE B 62 18.695 -35.851 16.670 1.00 0.00 H new ATOM 0 HG13 ILE B 62 17.102 -35.192 16.989 1.00 0.00 H new ATOM 0 HG21 ILE B 62 19.431 -37.259 19.116 1.00 0.00 H new ATOM 0 HG22 ILE B 62 18.497 -38.757 18.889 1.00 0.00 H new ATOM 0 HG23 ILE B 62 19.344 -38.019 17.509 1.00 0.00 H new ATOM 0 HD11 ILE B 62 18.855 -33.800 18.057 1.00 0.00 H new ATOM 0 HD12 ILE B 62 17.814 -34.547 19.292 1.00 0.00 H new ATOM 0 HD13 ILE B 62 19.432 -35.215 18.969 1.00 0.00 H new ATOM 1033 N THR B 63 18.051 -39.311 15.893 1.00 0.00 N ATOM 1034 CA THR B 63 18.850 -39.738 14.708 1.00 0.00 C ATOM 1035 C THR B 63 17.908 -40.248 13.616 1.00 0.00 C ATOM 1036 O THR B 63 16.937 -40.926 13.887 1.00 0.00 O ATOM 1037 CB THR B 63 19.810 -40.855 15.120 1.00 0.00 C ATOM 1038 OG1 THR B 63 19.062 -41.978 15.563 1.00 0.00 O ATOM 1039 CG2 THR B 63 20.715 -40.364 16.251 1.00 0.00 C ATOM 0 H THR B 63 18.018 -39.983 16.660 1.00 0.00 H new ATOM 0 HA THR B 63 19.421 -38.891 14.327 1.00 0.00 H new ATOM 0 HB THR B 63 20.425 -41.140 14.266 1.00 0.00 H new ATOM 0 HG1 THR B 63 18.123 -41.722 15.676 1.00 0.00 H new ATOM 0 HG21 THR B 63 21.398 -41.162 16.543 1.00 0.00 H new ATOM 0 HG22 THR B 63 21.288 -39.502 15.910 1.00 0.00 H new ATOM 0 HG23 THR B 63 20.104 -40.078 17.107 1.00 0.00 H new ATOM 1047 N TYR B 64 18.184 -39.925 12.379 1.00 0.00 N ATOM 1048 CA TYR B 64 17.303 -40.388 11.267 1.00 0.00 C ATOM 1049 C TYR B 64 17.740 -41.780 10.808 1.00 0.00 C ATOM 1050 O TYR B 64 16.926 -42.649 10.567 1.00 0.00 O ATOM 1051 CB TYR B 64 17.410 -39.411 10.093 1.00 0.00 C ATOM 1052 CG TYR B 64 18.863 -39.216 9.733 1.00 0.00 C ATOM 1053 CD1 TYR B 64 19.624 -38.240 10.390 1.00 0.00 C ATOM 1054 CD2 TYR B 64 19.451 -40.011 8.741 1.00 0.00 C ATOM 1055 CE1 TYR B 64 20.970 -38.061 10.056 1.00 0.00 C ATOM 1056 CE2 TYR B 64 20.799 -39.832 8.408 1.00 0.00 C ATOM 1057 CZ TYR B 64 21.558 -38.856 9.064 1.00 0.00 C ATOM 1058 OH TYR B 64 22.887 -38.679 8.735 1.00 0.00 O ATOM 0 H TYR B 64 18.983 -39.360 12.091 1.00 0.00 H new ATOM 0 HA TYR B 64 16.272 -40.430 11.618 1.00 0.00 H new ATOM 0 HB2 TYR B 64 16.860 -39.796 9.234 1.00 0.00 H new ATOM 0 HB3 TYR B 64 16.958 -38.455 10.359 1.00 0.00 H new ATOM 0 HD1 TYR B 64 19.171 -37.626 11.154 1.00 0.00 H new ATOM 0 HD2 TYR B 64 18.864 -40.762 8.233 1.00 0.00 H new ATOM 0 HE1 TYR B 64 21.557 -37.309 10.563 1.00 0.00 H new ATOM 0 HE2 TYR B 64 21.253 -40.447 7.645 1.00 0.00 H new ATOM 0 HH TYR B 64 23.136 -39.312 8.029 1.00 0.00 H new ATOM 1068 N ARG B 65 19.020 -42.000 10.682 1.00 0.00 N ATOM 1069 CA ARG B 65 19.507 -43.336 10.235 1.00 0.00 C ATOM 1070 C ARG B 65 19.489 -44.311 11.415 1.00 0.00 C ATOM 1071 O ARG B 65 19.394 -45.509 11.240 1.00 0.00 O ATOM 1072 CB ARG B 65 20.936 -43.206 9.704 1.00 0.00 C ATOM 1073 CG ARG B 65 21.355 -44.516 9.034 1.00 0.00 C ATOM 1074 CD ARG B 65 22.836 -44.447 8.662 1.00 0.00 C ATOM 1075 NE ARG B 65 23.054 -43.340 7.690 1.00 0.00 N ATOM 1076 CZ ARG B 65 24.261 -42.899 7.462 1.00 0.00 C ATOM 1077 NH1 ARG B 65 25.278 -43.430 8.086 1.00 0.00 N ATOM 1078 NH2 ARG B 65 24.452 -41.928 6.612 1.00 0.00 N ATOM 0 H ARG B 65 19.750 -41.312 10.869 1.00 0.00 H new ATOM 0 HA ARG B 65 18.857 -43.712 9.445 1.00 0.00 H new ATOM 0 HB2 ARG B 65 20.996 -42.385 8.990 1.00 0.00 H new ATOM 0 HB3 ARG B 65 21.618 -42.969 10.520 1.00 0.00 H new ATOM 0 HG2 ARG B 65 21.177 -45.354 9.707 1.00 0.00 H new ATOM 0 HG3 ARG B 65 20.753 -44.690 8.142 1.00 0.00 H new ATOM 0 HD2 ARG B 65 23.439 -44.284 9.555 1.00 0.00 H new ATOM 0 HD3 ARG B 65 23.157 -45.394 8.229 1.00 0.00 H new ATOM 0 HE ARG B 65 22.260 -42.926 7.202 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.129 -44.189 8.751 1.00 0.00 H new ATOM 0 HH12 ARG B 65 26.222 -43.086 7.908 1.00 0.00 H new ATOM 0 HH21 ARG B 65 23.658 -41.513 6.125 1.00 0.00 H new ATOM 0 HH22 ARG B 65 25.396 -41.584 6.434 1.00 0.00 H new ATOM 1092 N GLY B 66 19.579 -43.807 12.616 1.00 0.00 N ATOM 1093 CA GLY B 66 19.568 -44.709 13.804 1.00 0.00 C ATOM 1094 C GLY B 66 20.967 -45.288 14.019 1.00 0.00 C ATOM 1095 O GLY B 66 21.296 -46.345 13.518 1.00 0.00 O ATOM 0 H GLY B 66 19.659 -42.812 12.826 1.00 0.00 H new ATOM 0 HA2 GLY B 66 19.251 -44.158 14.689 1.00 0.00 H new ATOM 0 HA3 GLY B 66 18.849 -45.514 13.656 1.00 0.00 H new ATOM 1099 N THR B 67 21.793 -44.606 14.763 1.00 0.00 N ATOM 1100 CA THR B 67 23.170 -45.119 15.011 1.00 0.00 C ATOM 1101 C THR B 67 23.096 -46.376 15.880 1.00 0.00 C ATOM 1102 O THR B 67 22.097 -46.543 16.561 1.00 0.00 O ATOM 1103 CB THR B 67 23.992 -44.049 15.730 1.00 0.00 C ATOM 1104 OG1 THR B 67 23.824 -42.801 15.070 1.00 0.00 O ATOM 1105 CG2 THR B 67 25.470 -44.441 15.713 1.00 0.00 C ATOM 1106 OXT THR B 67 24.039 -47.149 15.851 1.00 0.00 O ATOM 0 H THR B 67 21.574 -43.716 15.210 1.00 0.00 H new ATOM 0 HA THR B 67 23.644 -45.362 14.060 1.00 0.00 H new ATOM 0 HB THR B 67 23.653 -43.963 16.762 1.00 0.00 H new ATOM 0 HG1 THR B 67 24.349 -42.114 15.531 1.00 0.00 H new ATOM 0 HG21 THR B 67 26.055 -43.677 16.226 1.00 0.00 H new ATOM 0 HG22 THR B 67 25.599 -45.398 16.219 1.00 0.00 H new ATOM 0 HG23 THR B 67 25.812 -44.528 14.682 1.00 0.00 H new TER 1114 THR B 67