USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 12:sc= 0.875 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.38) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.178 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 86:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= 0.623 K(o=0.62,f=-0.088) USER MOD Single : A 87 SER OG : rot 180:sc= 0.119 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -120:sc= 0.896 (180deg=0.337) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 125:sc= 1.05 USER MOD Single : A 111 SER OG : rot 81:sc= 1.27 USER MOD Single : A 114 SER OG : rot 180:sc= -0.387 USER MOD Single : A 117 THR OG1 : rot 34:sc= 0.824 USER MOD Single : A 121 HIS : no HE2:sc= -2.12! K(o=-2.1!,f=-3.5) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 163:sc= -0.366 (180deg=-1.22) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.15) USER MOD Single : A 135 TYR OH : rot 165:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.884) USER MOD Single : A 145 MET CE :methyl -169:sc= -0.281 (180deg=-0.486) USER MOD Single : A 148 GLN : amide:sc= 0.105 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -66.395 97.654 -24.344 1.00 17.93 N ATOM 109 CA SER A 8 -67.001 96.386 -23.968 1.00 18.07 C ATOM 110 C SER A 8 -66.581 95.979 -22.558 1.00 17.91 C ATOM 111 O SER A 8 -66.213 94.833 -22.321 1.00 17.61 O ATOM 112 CB SER A 8 -66.594 95.310 -24.975 1.00 18.00 C ATOM 113 OG SER A 8 -65.756 95.853 -25.987 1.00 17.96 O ATOM 0 HA SER A 8 -68.085 96.498 -23.975 1.00 18.07 H new ATOM 0 HB2 SER A 8 -66.073 94.503 -24.460 1.00 18.00 H new ATOM 0 HB3 SER A 8 -67.485 94.876 -25.429 1.00 18.00 H new ATOM 0 HG SER A 8 -65.460 96.749 -25.721 1.00 17.96 H new ATOM 119 N LEU A 9 -66.650 96.930 -21.629 1.00 18.20 N ATOM 120 CA LEU A 9 -66.221 96.720 -20.251 1.00 18.26 C ATOM 121 C LEU A 9 -66.869 95.480 -19.645 1.00 18.43 C ATOM 122 O LEU A 9 -66.183 94.628 -19.079 1.00 18.25 O ATOM 123 CB LEU A 9 -66.558 97.947 -19.403 1.00 18.77 C ATOM 124 CG LEU A 9 -65.450 98.404 -18.454 1.00 18.82 C ATOM 125 CD1 LEU A 9 -65.025 99.828 -18.778 1.00 19.04 C ATOM 126 CD2 LEU A 9 -65.910 98.299 -17.008 1.00 18.92 C ATOM 0 H LEU A 9 -67.006 97.868 -21.812 1.00 18.20 H new ATOM 0 HA LEU A 9 -65.142 96.567 -20.259 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -66.807 98.773 -20.070 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -67.451 97.730 -18.816 1.00 18.77 H new ATOM 0 HG LEU A 9 -64.589 97.750 -18.589 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -64.236 100.137 -18.093 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -64.655 99.873 -19.802 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -65.880 100.496 -18.672 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -65.109 98.628 -16.346 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -66.786 98.930 -16.858 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -66.165 97.264 -16.782 1.00 18.92 H new ATOM 138 N ASP A 10 -68.187 95.371 -19.786 1.00 18.85 N ATOM 139 CA ASP A 10 -68.923 94.241 -19.221 1.00 19.17 C ATOM 140 C ASP A 10 -68.497 92.936 -19.881 1.00 18.74 C ATOM 141 O ASP A 10 -68.360 91.905 -19.219 1.00 18.78 O ATOM 142 CB ASP A 10 -70.429 94.438 -19.390 1.00 19.78 C ATOM 143 CG ASP A 10 -71.213 93.948 -18.187 1.00 19.90 C ATOM 144 OD1 ASP A 10 -70.602 93.714 -17.124 1.00 20.27 O ATOM 145 OD2 ASP A 10 -72.451 93.814 -18.293 1.00 19.72 O ATOM 0 H ASP A 10 -68.766 96.047 -20.284 1.00 18.85 H new ATOM 0 HA ASP A 10 -68.692 94.190 -18.157 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -70.639 95.495 -19.551 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -70.765 93.907 -20.281 1.00 19.78 H new ATOM 150 N ASP A 11 -68.270 92.994 -21.188 1.00 18.38 N ATOM 151 CA ASP A 11 -67.830 91.830 -21.947 1.00 18.04 C ATOM 152 C ASP A 11 -66.436 91.408 -21.500 1.00 17.56 C ATOM 153 O ASP A 11 -66.169 90.222 -21.307 1.00 17.42 O ATOM 154 CB ASP A 11 -67.832 92.132 -23.448 1.00 17.93 C ATOM 155 CG ASP A 11 -67.459 90.927 -24.291 1.00 17.97 C ATOM 156 OD1 ASP A 11 -68.119 89.876 -24.156 1.00 17.99 O ATOM 157 OD2 ASP A 11 -66.494 91.019 -25.078 1.00 18.05 O ATOM 0 H ASP A 11 -68.384 93.840 -21.747 1.00 18.38 H new ATOM 0 HA ASP A 11 -68.526 91.013 -21.758 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -68.821 92.483 -23.742 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -67.132 92.943 -23.652 1.00 17.93 H new ATOM 162 N ILE A 12 -65.558 92.390 -21.320 1.00 17.40 N ATOM 163 CA ILE A 12 -64.213 92.134 -20.820 1.00 17.12 C ATOM 164 C ILE A 12 -64.273 91.463 -19.466 1.00 17.38 C ATOM 165 O ILE A 12 -63.601 90.469 -19.236 1.00 17.18 O ATOM 166 CB ILE A 12 -63.389 93.421 -20.663 1.00 17.14 C ATOM 167 CG1 ILE A 12 -63.236 94.138 -22.002 1.00 16.99 C ATOM 168 CG2 ILE A 12 -62.020 93.101 -20.068 1.00 17.02 C ATOM 169 CD1 ILE A 12 -62.999 95.622 -21.856 1.00 17.20 C ATOM 0 H ILE A 12 -65.755 93.372 -21.514 1.00 17.40 H new ATOM 0 HA ILE A 12 -63.733 91.492 -21.558 1.00 17.12 H new ATOM 0 HB ILE A 12 -63.920 94.087 -19.983 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -62.405 93.696 -22.551 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -64.134 93.977 -22.598 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -61.445 94.021 -19.962 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -62.148 92.638 -19.090 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -61.488 92.415 -20.727 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -62.899 96.073 -22.843 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -63.841 96.075 -21.334 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -62.085 95.790 -21.286 1.00 17.20 H new ATOM 181 N ILE A 13 -65.074 92.028 -18.571 1.00 17.90 N ATOM 182 CA ILE A 13 -65.242 91.478 -17.228 1.00 18.37 C ATOM 183 C ILE A 13 -65.515 89.977 -17.287 1.00 18.32 C ATOM 184 O ILE A 13 -64.803 89.188 -16.672 1.00 18.33 O ATOM 185 CB ILE A 13 -66.389 92.177 -16.461 1.00 19.08 C ATOM 186 CG1 ILE A 13 -66.007 93.622 -16.132 1.00 19.19 C ATOM 187 CG2 ILE A 13 -66.729 91.419 -15.184 1.00 19.74 C ATOM 188 CD1 ILE A 13 -67.179 94.472 -15.689 1.00 19.76 C ATOM 0 H ILE A 13 -65.620 92.870 -18.750 1.00 17.90 H new ATOM 0 HA ILE A 13 -64.309 91.657 -16.693 1.00 18.37 H new ATOM 0 HB ILE A 13 -67.271 92.183 -17.101 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -65.253 93.620 -15.345 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -65.550 94.077 -17.011 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -67.538 91.930 -14.662 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -67.042 90.405 -15.435 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -65.850 91.379 -14.540 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -66.834 95.483 -15.473 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -67.925 94.505 -16.483 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -67.623 94.040 -14.792 1.00 19.76 H new ATOM 200 N LYS A 14 -66.516 89.588 -18.063 1.00 18.34 N ATOM 201 CA LYS A 14 -66.876 88.179 -18.188 1.00 18.38 C ATOM 202 C LYS A 14 -65.770 87.382 -18.879 1.00 17.73 C ATOM 203 O LYS A 14 -65.462 86.257 -18.482 1.00 17.76 O ATOM 204 CB LYS A 14 -68.183 88.024 -18.970 1.00 18.59 C ATOM 205 CG LYS A 14 -69.269 89.003 -18.559 1.00 19.27 C ATOM 206 CD LYS A 14 -69.744 88.753 -17.139 1.00 19.91 C ATOM 207 CE LYS A 14 -70.812 89.753 -16.729 1.00 20.52 C ATOM 208 NZ LYS A 14 -72.182 89.224 -16.957 1.00 21.03 N ATOM 0 H LYS A 14 -67.093 90.223 -18.614 1.00 18.34 H new ATOM 0 HA LYS A 14 -67.010 87.785 -17.180 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -67.976 88.152 -20.032 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -68.555 87.008 -18.838 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -68.890 90.022 -18.642 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -70.112 88.920 -19.245 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -70.141 87.741 -17.059 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -68.899 88.819 -16.454 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -70.690 90.003 -15.675 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -70.681 90.676 -17.293 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -72.882 89.936 -16.665 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -72.308 89.009 -17.967 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -72.317 88.357 -16.399 1.00 21.03 H new ATOM 222 N LEU A 15 -65.170 87.968 -19.906 1.00 17.23 N ATOM 223 CA LEU A 15 -64.171 87.271 -20.710 1.00 16.69 C ATOM 224 C LEU A 15 -62.850 87.115 -19.961 1.00 16.61 C ATOM 225 O LEU A 15 -62.269 86.038 -19.947 1.00 16.40 O ATOM 226 CB LEU A 15 -63.932 88.010 -22.028 1.00 16.34 C ATOM 227 CG LEU A 15 -64.012 87.138 -23.284 1.00 16.28 C ATOM 228 CD1 LEU A 15 -64.231 88.000 -24.517 1.00 16.26 C ATOM 229 CD2 LEU A 15 -62.747 86.302 -23.434 1.00 16.28 C ATOM 0 H LEU A 15 -65.357 88.926 -20.204 1.00 17.23 H new ATOM 0 HA LEU A 15 -64.562 86.275 -20.919 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -64.664 88.813 -22.115 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -62.948 88.478 -21.991 1.00 16.34 H new ATOM 0 HG LEU A 15 -64.861 86.462 -23.181 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -64.285 87.364 -25.401 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -65.163 88.555 -24.412 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -63.402 88.699 -24.624 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -62.821 85.688 -24.332 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -61.883 86.961 -23.515 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -62.631 85.658 -22.563 1.00 16.28 H new ATOM 241 N ASN A 16 -62.388 88.184 -19.332 1.00 16.87 N ATOM 242 CA ASN A 16 -61.097 88.166 -18.651 1.00 17.01 C ATOM 243 C ASN A 16 -61.172 87.373 -17.351 1.00 17.40 C ATOM 244 O ASN A 16 -60.181 86.786 -16.919 1.00 17.38 O ATOM 245 CB ASN A 16 -60.580 89.595 -18.406 1.00 17.36 C ATOM 246 CG ASN A 16 -60.954 90.168 -17.047 1.00 17.34 C ATOM 247 OD1 ASN A 16 -60.232 90.004 -16.063 1.00 17.60 O ATOM 248 ND2 ASN A 16 -62.077 90.859 -16.989 1.00 17.15 N ATOM 0 H ASN A 16 -62.884 89.074 -19.277 1.00 16.87 H new ATOM 0 HA ASN A 16 -60.383 87.663 -19.303 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -59.494 89.598 -18.503 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -60.972 90.250 -19.184 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -62.373 91.279 -16.108 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -62.649 90.973 -17.826 1.00 17.15 H new ATOM 255 N ARG A 17 -62.348 87.336 -16.735 1.00 17.84 N ATOM 256 CA ARG A 17 -62.534 86.557 -15.519 1.00 18.36 C ATOM 257 C ARG A 17 -62.701 85.077 -15.856 1.00 18.04 C ATOM 258 O ARG A 17 -62.311 84.203 -15.080 1.00 18.25 O ATOM 259 CB ARG A 17 -63.737 87.074 -14.714 1.00 19.06 C ATOM 260 CG ARG A 17 -65.065 86.424 -15.077 1.00 19.37 C ATOM 261 CD ARG A 17 -66.245 87.255 -14.598 1.00 19.91 C ATOM 262 NE ARG A 17 -66.340 87.283 -13.142 1.00 20.74 N ATOM 263 CZ ARG A 17 -67.049 86.413 -12.423 1.00 21.41 C ATOM 264 NH1 ARG A 17 -67.737 85.447 -13.026 1.00 21.38 N ATOM 265 NH2 ARG A 17 -67.066 86.502 -11.100 1.00 22.20 N ATOM 0 H ARG A 17 -63.180 87.832 -17.055 1.00 17.84 H new ATOM 0 HA ARG A 17 -61.644 86.671 -14.900 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -63.545 86.912 -13.653 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -63.821 88.151 -14.862 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -65.124 86.296 -16.158 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -65.117 85.429 -14.635 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -66.148 88.273 -14.974 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -67.167 86.848 -15.014 1.00 19.91 H new ATOM 0 HE ARG A 17 -65.832 88.014 -12.644 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -67.723 85.370 -14.043 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -68.278 84.784 -12.471 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -66.536 87.237 -10.631 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -67.609 85.836 -10.551 1.00 22.20 H new ATOM 279 N ASN A 18 -63.265 84.801 -17.025 1.00 17.62 N ATOM 280 CA ASN A 18 -63.493 83.431 -17.458 1.00 17.37 C ATOM 281 C ASN A 18 -62.876 83.196 -18.831 1.00 16.66 C ATOM 282 O ASN A 18 -63.553 82.796 -19.780 1.00 16.34 O ATOM 283 CB ASN A 18 -64.992 83.118 -17.486 1.00 17.47 C ATOM 284 CG ASN A 18 -65.275 81.628 -17.460 1.00 17.64 C ATOM 285 OD1 ASN A 18 -65.059 80.956 -16.448 1.00 17.99 O ATOM 286 ND2 ASN A 18 -65.760 81.100 -18.570 1.00 17.50 N ATOM 0 H ASN A 18 -63.573 85.510 -17.690 1.00 17.62 H new ATOM 0 HA ASN A 18 -63.014 82.761 -16.744 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -65.475 83.591 -16.631 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -65.434 83.553 -18.382 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -65.970 80.103 -18.611 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -65.925 81.690 -19.386 1.00 17.50 H new ATOM 700 N ALA A 44 -40.546 29.831 -20.711 1.00 11.18 N ATOM 701 CA ALA A 44 -39.901 28.903 -21.619 1.00 10.95 C ATOM 702 C ALA A 44 -39.184 29.672 -22.719 1.00 11.14 C ATOM 703 O ALA A 44 -39.826 30.263 -23.592 1.00 11.37 O ATOM 704 CB ALA A 44 -40.918 27.939 -22.213 1.00 10.91 C ATOM 0 HA ALA A 44 -39.168 28.318 -21.063 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -40.414 27.251 -22.892 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -41.395 27.374 -21.412 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -41.674 28.500 -22.761 1.00 10.91 H new ATOM 710 N PRO A 45 -37.845 29.701 -22.669 1.00 11.20 N ATOM 711 CA PRO A 45 -37.024 30.399 -23.667 1.00 11.61 C ATOM 712 C PRO A 45 -37.235 29.847 -25.072 1.00 11.90 C ATOM 713 O PRO A 45 -37.220 30.591 -26.057 1.00 12.39 O ATOM 714 CB PRO A 45 -35.587 30.134 -23.200 1.00 11.62 C ATOM 715 CG PRO A 45 -35.710 29.785 -21.757 1.00 11.27 C ATOM 716 CD PRO A 45 -37.021 29.071 -21.625 1.00 11.04 C ATOM 0 HA PRO A 45 -37.275 31.458 -23.732 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -35.132 29.321 -23.765 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -34.957 31.012 -23.342 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -34.884 29.151 -21.435 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -35.686 30.679 -21.134 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -36.915 27.998 -21.787 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -37.455 29.203 -20.634 1.00 11.04 H new ATOM 724 N TYR A 46 -37.437 28.540 -25.154 1.00 11.78 N ATOM 725 CA TYR A 46 -37.662 27.867 -26.423 1.00 12.25 C ATOM 726 C TYR A 46 -38.913 27.001 -26.329 1.00 12.17 C ATOM 727 O TYR A 46 -39.821 27.313 -25.559 1.00 12.24 O ATOM 728 CB TYR A 46 -36.438 27.022 -26.796 1.00 12.71 C ATOM 729 CG TYR A 46 -35.170 27.833 -26.935 1.00 13.40 C ATOM 730 CD1 TYR A 46 -34.954 28.630 -28.051 1.00 13.66 C ATOM 731 CD2 TYR A 46 -34.198 27.814 -25.944 1.00 13.96 C ATOM 732 CE1 TYR A 46 -33.805 29.382 -28.179 1.00 14.45 C ATOM 733 CE2 TYR A 46 -33.045 28.567 -26.062 1.00 14.73 C ATOM 734 CZ TYR A 46 -32.855 29.348 -27.182 1.00 14.98 C ATOM 735 OH TYR A 46 -31.711 30.106 -27.303 1.00 15.86 O ATOM 0 H TYR A 46 -37.449 27.919 -24.345 1.00 11.78 H new ATOM 0 HA TYR A 46 -37.812 28.610 -27.206 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -36.289 26.256 -26.035 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -36.635 26.505 -27.735 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -35.699 28.662 -28.833 1.00 13.66 H new ATOM 0 HD2 TYR A 46 -34.345 27.201 -25.067 1.00 13.96 H new ATOM 0 HE1 TYR A 46 -33.651 29.994 -29.056 1.00 14.45 H new ATOM 0 HE2 TYR A 46 -32.298 28.544 -25.282 1.00 14.73 H new ATOM 0 HH TYR A 46 -31.144 29.971 -26.515 1.00 15.86 H new ATOM 745 N SER A 47 -38.965 25.922 -27.102 1.00 12.21 N ATOM 746 CA SER A 47 -40.104 25.016 -27.075 1.00 12.38 C ATOM 747 C SER A 47 -40.282 24.409 -25.683 1.00 11.92 C ATOM 748 O SER A 47 -41.403 24.259 -25.196 1.00 11.98 O ATOM 749 CB SER A 47 -39.908 23.918 -28.121 1.00 12.96 C ATOM 750 OG SER A 47 -38.756 24.177 -28.913 1.00 13.21 O ATOM 0 H SER A 47 -38.229 25.654 -27.756 1.00 12.21 H new ATOM 0 HA SER A 47 -41.008 25.577 -27.312 1.00 12.38 H new ATOM 0 HB2 SER A 47 -39.806 22.952 -27.626 1.00 12.96 H new ATOM 0 HB3 SER A 47 -40.789 23.857 -28.760 1.00 12.96 H new ATOM 0 HG SER A 47 -38.647 23.463 -29.575 1.00 13.21 H new ATOM 756 N ARG A 48 -39.170 24.068 -25.043 1.00 11.60 N ATOM 757 CA ARG A 48 -39.194 23.544 -23.686 1.00 11.33 C ATOM 758 C ARG A 48 -37.839 23.749 -23.018 1.00 10.91 C ATOM 759 O ARG A 48 -36.799 23.498 -23.633 1.00 10.95 O ATOM 760 CB ARG A 48 -39.554 22.057 -23.691 1.00 11.76 C ATOM 761 CG ARG A 48 -40.172 21.575 -22.388 1.00 12.38 C ATOM 762 CD ARG A 48 -41.674 21.361 -22.516 1.00 12.85 C ATOM 763 NE ARG A 48 -42.312 22.376 -23.353 1.00 12.95 N ATOM 764 CZ ARG A 48 -43.628 22.541 -23.457 1.00 13.65 C ATOM 765 NH1 ARG A 48 -44.459 21.776 -22.755 1.00 14.27 N ATOM 766 NH2 ARG A 48 -44.110 23.481 -24.258 1.00 13.88 N ATOM 0 H ARG A 48 -38.236 24.146 -25.446 1.00 11.60 H new ATOM 0 HA ARG A 48 -39.954 24.085 -23.122 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -40.250 21.863 -24.507 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -38.655 21.475 -23.894 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -39.697 20.642 -22.084 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -39.975 22.304 -21.602 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -41.863 20.374 -22.939 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -42.126 21.375 -21.524 1.00 12.85 H new ATOM 0 HE ARG A 48 -41.709 22.998 -23.892 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -44.088 21.058 -22.133 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -45.467 21.907 -22.839 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -43.473 24.073 -24.791 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -45.118 23.612 -24.342 1.00 13.88 H new ATOM 780 N PRO A 49 -37.831 24.226 -21.761 1.00 10.69 N ATOM 781 CA PRO A 49 -36.601 24.407 -20.986 1.00 10.51 C ATOM 782 C PRO A 49 -35.801 23.111 -20.877 1.00 10.52 C ATOM 783 O PRO A 49 -36.371 22.018 -20.784 1.00 10.80 O ATOM 784 CB PRO A 49 -37.091 24.857 -19.603 1.00 10.63 C ATOM 785 CG PRO A 49 -38.549 24.541 -19.574 1.00 10.68 C ATOM 786 CD PRO A 49 -39.021 24.631 -20.996 1.00 10.80 C ATOM 0 HA PRO A 49 -35.929 25.126 -21.455 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -36.560 24.332 -18.809 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -36.917 25.923 -19.453 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -38.724 23.545 -19.167 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -39.088 25.244 -18.939 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -39.867 23.970 -21.184 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -39.342 25.641 -21.252 1.00 10.80 H new ATOM 794 N LYS A 50 -34.484 23.236 -20.891 1.00 10.36 N ATOM 795 CA LYS A 50 -33.612 22.073 -20.895 1.00 10.37 C ATOM 796 C LYS A 50 -32.688 22.067 -19.684 1.00 10.32 C ATOM 797 O LYS A 50 -31.684 22.782 -19.650 1.00 10.35 O ATOM 798 CB LYS A 50 -32.784 22.039 -22.178 1.00 10.47 C ATOM 799 CG LYS A 50 -33.557 21.542 -23.386 1.00 10.65 C ATOM 800 CD LYS A 50 -33.243 22.365 -24.624 1.00 10.86 C ATOM 801 CE LYS A 50 -32.203 21.683 -25.498 1.00 11.05 C ATOM 802 NZ LYS A 50 -31.993 22.412 -26.776 1.00 11.40 N ATOM 0 H LYS A 50 -33.995 24.131 -20.900 1.00 10.36 H new ATOM 0 HA LYS A 50 -34.242 21.185 -20.846 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -32.408 23.041 -22.385 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -31.916 21.398 -22.024 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -33.312 20.496 -23.571 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -34.626 21.587 -23.179 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -34.156 22.522 -25.199 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -32.880 23.349 -24.326 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -31.259 21.619 -24.957 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -32.519 20.662 -25.710 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -31.277 21.916 -27.345 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -32.888 22.452 -27.304 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -31.667 23.379 -26.575 1.00 11.40 H new ATOM 816 N PRO A 51 -33.033 21.280 -18.659 1.00 10.48 N ATOM 817 CA PRO A 51 -32.164 21.058 -17.504 1.00 10.66 C ATOM 818 C PRO A 51 -30.954 20.208 -17.884 1.00 10.49 C ATOM 819 O PRO A 51 -29.821 20.690 -17.857 1.00 10.76 O ATOM 820 CB PRO A 51 -33.061 20.313 -16.504 1.00 11.11 C ATOM 821 CG PRO A 51 -34.449 20.449 -17.037 1.00 11.13 C ATOM 822 CD PRO A 51 -34.306 20.565 -18.524 1.00 10.75 C ATOM 0 HA PRO A 51 -31.762 21.987 -17.099 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -32.772 19.265 -16.423 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -32.979 20.744 -15.506 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -35.057 19.585 -16.769 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -34.943 21.328 -16.622 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -34.278 19.589 -19.007 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -35.133 21.118 -18.970 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.249 7.096 -8.665 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.822 7.340 -7.307 1.00 10.44 C ATOM 1138 C GLY A 74 -2.330 7.551 -7.201 1.00 10.53 C ATOM 1139 O GLY A 74 -1.726 8.202 -8.049 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.339 8.218 -6.919 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -4.112 6.496 -6.681 1.00 10.44 H new ATOM 1143 N ALA A 75 -1.730 6.976 -6.177 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.327 7.200 -5.889 1.00 10.45 C ATOM 1145 C ALA A 75 0.437 5.886 -5.866 1.00 10.02 C ATOM 1146 O ALA A 75 0.141 5.007 -5.052 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.195 7.905 -4.548 1.00 10.74 C ATOM 0 H ALA A 75 -2.197 6.345 -5.526 1.00 10.31 H new ATOM 0 HA ALA A 75 0.099 7.825 -6.674 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.859 8.075 -4.328 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -0.716 8.861 -4.587 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -0.633 7.285 -3.766 1.00 10.74 H new ATOM 1153 N LYS A 76 1.416 5.750 -6.759 1.00 10.22 N ATOM 1154 CA LYS A 76 2.247 4.560 -6.790 1.00 9.99 C ATOM 1155 C LYS A 76 3.599 4.842 -6.154 1.00 10.09 C ATOM 1156 O LYS A 76 4.387 5.640 -6.659 1.00 10.63 O ATOM 1157 CB LYS A 76 2.436 4.064 -8.225 1.00 10.41 C ATOM 1158 CG LYS A 76 1.885 4.995 -9.293 1.00 10.50 C ATOM 1159 CD LYS A 76 1.950 4.364 -10.676 1.00 11.20 C ATOM 1160 CE LYS A 76 3.377 4.017 -11.068 1.00 11.56 C ATOM 1161 NZ LYS A 76 3.613 4.192 -12.524 1.00 11.62 N ATOM 0 H LYS A 76 1.648 6.449 -7.465 1.00 10.22 H new ATOM 0 HA LYS A 76 1.743 3.780 -6.219 1.00 9.99 H new ATOM 0 HB2 LYS A 76 3.500 3.913 -8.406 1.00 10.41 H new ATOM 0 HB3 LYS A 76 1.955 3.091 -8.326 1.00 10.41 H new ATOM 0 HG2 LYS A 76 0.852 5.249 -9.057 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.451 5.927 -9.291 1.00 10.50 H new ATOM 0 HD2 LYS A 76 1.338 3.462 -10.694 1.00 11.20 H new ATOM 0 HD3 LYS A 76 1.528 5.051 -11.410 1.00 11.20 H new ATOM 0 HE2 LYS A 76 4.070 4.647 -10.510 1.00 11.56 H new ATOM 0 HE3 LYS A 76 3.589 2.985 -10.788 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 4.598 3.945 -12.748 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 2.970 3.572 -13.057 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 3.436 5.182 -12.788 1.00 11.62 H new ATOM 1175 N LEU A 77 3.841 4.183 -5.037 1.00 9.69 N ATOM 1176 CA LEU A 77 5.046 4.378 -4.252 1.00 9.77 C ATOM 1177 C LEU A 77 5.995 3.203 -4.458 1.00 9.68 C ATOM 1178 O LEU A 77 5.611 2.048 -4.284 1.00 9.42 O ATOM 1179 CB LEU A 77 4.640 4.522 -2.771 1.00 9.58 C ATOM 1180 CG LEU A 77 5.757 4.597 -1.712 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.289 3.220 -1.375 1.00 9.26 C ATOM 1182 CD2 LEU A 77 6.885 5.511 -2.147 1.00 10.17 C ATOM 0 H LEU A 77 3.202 3.491 -4.645 1.00 9.69 H new ATOM 0 HA LEU A 77 5.569 5.280 -4.568 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.033 5.423 -2.679 1.00 9.58 H new ATOM 0 HB3 LEU A 77 3.998 3.678 -2.518 1.00 9.58 H new ATOM 0 HG LEU A 77 5.313 5.022 -0.812 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.075 3.307 -0.625 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.480 2.604 -0.983 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.695 2.757 -2.274 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.652 5.536 -1.373 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.318 5.138 -3.075 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.497 6.517 -2.306 1.00 10.17 H new ATOM 1194 N LEU A 78 7.224 3.506 -4.833 1.00 10.10 N ATOM 1195 CA LEU A 78 8.250 2.490 -4.993 1.00 10.21 C ATOM 1196 C LEU A 78 9.205 2.542 -3.809 1.00 10.19 C ATOM 1197 O LEU A 78 9.361 3.590 -3.183 1.00 10.62 O ATOM 1198 CB LEU A 78 9.021 2.705 -6.300 1.00 10.97 C ATOM 1199 CG LEU A 78 8.309 3.566 -7.349 1.00 11.03 C ATOM 1200 CD1 LEU A 78 9.322 4.310 -8.203 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.403 2.707 -8.218 1.00 10.95 C ATOM 0 H LEU A 78 7.538 4.455 -5.034 1.00 10.10 H new ATOM 0 HA LEU A 78 7.774 1.510 -5.033 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.980 3.168 -6.065 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.236 1.731 -6.739 1.00 10.97 H new ATOM 0 HG LEU A 78 7.692 4.300 -6.832 1.00 11.03 H new ATOM 0 HD11 LEU A 78 8.799 4.916 -8.943 1.00 11.63 H new ATOM 0 HD12 LEU A 78 9.929 4.955 -7.568 1.00 11.63 H new ATOM 0 HD13 LEU A 78 9.966 3.593 -8.712 1.00 11.63 H new ATOM 0 HD21 LEU A 78 6.906 3.335 -8.957 1.00 10.95 H new ATOM 0 HD22 LEU A 78 7.999 1.950 -8.727 1.00 10.95 H new ATOM 0 HD23 LEU A 78 6.654 2.220 -7.593 1.00 10.95 H new ATOM 1213 N VAL A 79 9.865 1.425 -3.523 1.00 9.81 N ATOM 1214 CA VAL A 79 10.740 1.324 -2.356 1.00 9.81 C ATOM 1215 C VAL A 79 11.991 0.550 -2.725 1.00 10.08 C ATOM 1216 O VAL A 79 11.913 -0.623 -3.068 1.00 10.09 O ATOM 1217 CB VAL A 79 10.079 0.613 -1.150 1.00 9.37 C ATOM 1218 CG1 VAL A 79 10.729 1.054 0.150 1.00 9.42 C ATOM 1219 CG2 VAL A 79 8.587 0.865 -1.102 1.00 9.16 C ATOM 0 H VAL A 79 9.812 0.574 -4.083 1.00 9.81 H new ATOM 0 HA VAL A 79 10.968 2.347 -2.058 1.00 9.81 H new ATOM 0 HB VAL A 79 10.232 -0.459 -1.277 1.00 9.37 H new ATOM 0 HG11 VAL A 79 10.252 0.544 0.987 1.00 9.42 H new ATOM 0 HG12 VAL A 79 11.790 0.804 0.130 1.00 9.42 H new ATOM 0 HG13 VAL A 79 10.613 2.131 0.268 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.158 0.350 -0.242 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.401 1.935 -1.013 1.00 9.16 H new ATOM 0 HG23 VAL A 79 8.125 0.491 -2.016 1.00 9.16 H new ATOM 1229 N SER A 80 13.130 1.211 -2.680 1.00 10.48 N ATOM 1230 CA SER A 80 14.392 0.562 -2.992 1.00 10.87 C ATOM 1231 C SER A 80 15.464 0.925 -1.973 1.00 10.93 C ATOM 1232 O SER A 80 15.275 1.824 -1.155 1.00 11.28 O ATOM 1233 CB SER A 80 14.855 0.932 -4.405 1.00 11.70 C ATOM 1234 OG SER A 80 13.859 1.669 -5.102 1.00 11.92 O ATOM 0 H SER A 80 13.210 2.197 -2.431 1.00 10.48 H new ATOM 0 HA SER A 80 14.232 -0.515 -2.947 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.771 1.520 -4.347 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.094 0.025 -4.960 1.00 11.70 H new ATOM 0 HG SER A 80 13.945 2.621 -4.885 1.00 11.92 H new ATOM 1240 N ASN A 81 16.570 0.185 -2.011 1.00 10.71 N ATOM 1241 CA ASN A 81 17.739 0.462 -1.175 1.00 10.82 C ATOM 1242 C ASN A 81 17.463 0.145 0.285 1.00 11.07 C ATOM 1243 O ASN A 81 17.425 1.035 1.137 1.00 11.33 O ATOM 1244 CB ASN A 81 18.200 1.916 -1.322 1.00 10.85 C ATOM 1245 CG ASN A 81 19.672 2.079 -1.003 1.00 11.09 C ATOM 1246 OD1 ASN A 81 20.525 1.450 -1.629 1.00 11.13 O ATOM 1247 ND2 ASN A 81 19.982 2.908 -0.019 1.00 11.43 N ATOM 0 H ASN A 81 16.682 -0.624 -2.622 1.00 10.71 H new ATOM 0 HA ASN A 81 18.542 -0.189 -1.522 1.00 10.82 H new ATOM 0 HB2 ASN A 81 18.010 2.256 -2.340 1.00 10.85 H new ATOM 0 HB3 ASN A 81 17.613 2.551 -0.659 1.00 10.85 H new ATOM 0 HD21 ASN A 81 20.958 3.044 0.245 1.00 11.43 H new ATOM 0 HD22 ASN A 81 19.245 3.411 0.475 1.00 11.43 H new ATOM 1254 N LEU A 82 17.280 -1.130 0.568 1.00 11.17 N ATOM 1255 CA LEU A 82 17.054 -1.584 1.928 1.00 11.63 C ATOM 1256 C LEU A 82 18.084 -2.637 2.300 1.00 11.86 C ATOM 1257 O LEU A 82 18.761 -2.518 3.320 1.00 12.01 O ATOM 1258 CB LEU A 82 15.641 -2.147 2.075 1.00 12.01 C ATOM 1259 CG LEU A 82 14.566 -1.111 2.402 1.00 12.36 C ATOM 1260 CD1 LEU A 82 13.654 -0.892 1.206 1.00 12.48 C ATOM 1261 CD2 LEU A 82 13.761 -1.546 3.615 1.00 12.61 C ATOM 0 H LEU A 82 17.283 -1.874 -0.130 1.00 11.17 H new ATOM 0 HA LEU A 82 17.157 -0.735 2.604 1.00 11.63 H new ATOM 0 HB2 LEU A 82 15.368 -2.652 1.148 1.00 12.01 H new ATOM 0 HB3 LEU A 82 15.647 -2.903 2.860 1.00 12.01 H new ATOM 0 HG LEU A 82 15.057 -0.166 2.635 1.00 12.36 H new ATOM 0 HD11 LEU A 82 12.895 -0.151 1.458 1.00 12.48 H new ATOM 0 HD12 LEU A 82 14.242 -0.536 0.360 1.00 12.48 H new ATOM 0 HD13 LEU A 82 13.170 -1.832 0.941 1.00 12.48 H new ATOM 0 HD21 LEU A 82 13.000 -0.797 3.834 1.00 12.61 H new ATOM 0 HD22 LEU A 82 13.280 -2.502 3.409 1.00 12.61 H new ATOM 0 HD23 LEU A 82 14.424 -1.651 4.473 1.00 12.61 H new ATOM 1273 N ASP A 83 18.182 -3.670 1.456 1.00 12.07 N ATOM 1274 CA ASP A 83 19.152 -4.764 1.625 1.00 12.45 C ATOM 1275 C ASP A 83 18.790 -5.659 2.808 1.00 12.57 C ATOM 1276 O ASP A 83 19.447 -6.668 3.062 1.00 13.12 O ATOM 1277 CB ASP A 83 20.579 -4.225 1.792 1.00 12.62 C ATOM 1278 CG ASP A 83 21.621 -5.179 1.246 1.00 13.10 C ATOM 1279 OD1 ASP A 83 21.398 -5.749 0.160 1.00 13.12 O ATOM 1280 OD2 ASP A 83 22.676 -5.361 1.894 1.00 13.59 O ATOM 0 H ASP A 83 17.589 -3.774 0.632 1.00 12.07 H new ATOM 0 HA ASP A 83 19.112 -5.365 0.716 1.00 12.45 H new ATOM 0 HB2 ASP A 83 20.665 -3.266 1.282 1.00 12.62 H new ATOM 0 HB3 ASP A 83 20.775 -4.042 2.849 1.00 12.62 H new ATOM 1285 N PHE A 84 17.728 -5.300 3.514 1.00 12.22 N ATOM 1286 CA PHE A 84 17.290 -6.050 4.682 1.00 12.46 C ATOM 1287 C PHE A 84 16.461 -7.261 4.272 1.00 12.41 C ATOM 1288 O PHE A 84 16.168 -8.130 5.093 1.00 12.73 O ATOM 1289 CB PHE A 84 16.466 -5.158 5.612 1.00 12.51 C ATOM 1290 CG PHE A 84 17.166 -3.891 6.024 1.00 12.50 C ATOM 1291 CD1 PHE A 84 18.433 -3.937 6.580 1.00 12.69 C ATOM 1292 CD2 PHE A 84 16.558 -2.658 5.853 1.00 12.45 C ATOM 1293 CE1 PHE A 84 19.082 -2.777 6.958 1.00 12.83 C ATOM 1294 CE2 PHE A 84 17.200 -1.495 6.230 1.00 12.59 C ATOM 1295 CZ PHE A 84 18.450 -1.548 6.791 1.00 12.79 C ATOM 0 H PHE A 84 17.150 -4.488 3.296 1.00 12.22 H new ATOM 0 HA PHE A 84 18.179 -6.395 5.209 1.00 12.46 H new ATOM 0 HB2 PHE A 84 15.531 -4.899 5.116 1.00 12.51 H new ATOM 0 HB3 PHE A 84 16.206 -5.725 6.506 1.00 12.51 H new ATOM 0 HD1 PHE A 84 18.920 -4.891 6.720 1.00 12.69 H new ATOM 0 HD2 PHE A 84 15.570 -2.606 5.420 1.00 12.45 H new ATOM 0 HE1 PHE A 84 20.075 -2.824 7.381 1.00 12.83 H new ATOM 0 HE2 PHE A 84 16.716 -0.541 6.083 1.00 12.59 H new ATOM 0 HZ PHE A 84 18.943 -0.639 7.102 1.00 12.79 H new ATOM 1305 N GLY A 85 16.087 -7.315 2.997 1.00 12.18 N ATOM 1306 CA GLY A 85 15.234 -8.386 2.522 1.00 12.33 C ATOM 1307 C GLY A 85 13.877 -8.360 3.192 1.00 12.00 C ATOM 1308 O GLY A 85 13.355 -9.396 3.596 1.00 12.39 O ATOM 0 H GLY A 85 16.360 -6.636 2.286 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.109 -8.300 1.443 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.715 -9.346 2.711 1.00 12.33 H new ATOM 1312 N VAL A 86 13.322 -7.160 3.321 1.00 11.43 N ATOM 1313 CA VAL A 86 12.036 -6.965 3.978 1.00 11.18 C ATOM 1314 C VAL A 86 10.934 -7.733 3.264 1.00 11.50 C ATOM 1315 O VAL A 86 10.802 -7.660 2.042 1.00 11.42 O ATOM 1316 CB VAL A 86 11.655 -5.470 4.041 1.00 10.44 C ATOM 1317 CG1 VAL A 86 12.334 -4.795 5.222 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.014 -4.764 2.741 1.00 10.15 C ATOM 0 H VAL A 86 13.748 -6.300 2.975 1.00 11.43 H new ATOM 0 HA VAL A 86 12.138 -7.346 4.994 1.00 11.18 H new ATOM 0 HB VAL A 86 10.576 -5.400 4.178 1.00 10.44 H new ATOM 0 HG11 VAL A 86 12.054 -3.742 5.250 1.00 10.36 H new ATOM 0 HG12 VAL A 86 12.020 -5.279 6.147 1.00 10.36 H new ATOM 0 HG13 VAL A 86 13.416 -4.880 5.117 1.00 10.36 H new ATOM 0 HG21 VAL A 86 11.736 -3.712 2.809 1.00 10.15 H new ATOM 0 HG22 VAL A 86 13.087 -4.845 2.567 1.00 10.15 H new ATOM 0 HG23 VAL A 86 11.476 -5.228 1.914 1.00 10.15 H new ATOM 1328 N SER A 87 10.166 -8.490 4.031 1.00 12.04 N ATOM 1329 CA SER A 87 9.075 -9.270 3.493 1.00 12.55 C ATOM 1330 C SER A 87 7.929 -8.366 3.047 1.00 12.18 C ATOM 1331 O SER A 87 7.914 -7.171 3.348 1.00 11.57 O ATOM 1332 CB SER A 87 8.593 -10.249 4.560 1.00 13.39 C ATOM 1333 OG SER A 87 9.391 -10.152 5.730 1.00 13.46 O ATOM 0 H SER A 87 10.285 -8.578 5.040 1.00 12.04 H new ATOM 0 HA SER A 87 9.424 -9.820 2.619 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.552 -10.042 4.806 1.00 13.39 H new ATOM 0 HB3 SER A 87 8.632 -11.266 4.171 1.00 13.39 H new ATOM 0 HG SER A 87 9.065 -10.786 6.402 1.00 13.46 H new ATOM 1339 N ASP A 88 6.971 -8.954 2.340 1.00 12.66 N ATOM 1340 CA ASP A 88 5.812 -8.215 1.840 1.00 12.44 C ATOM 1341 C ASP A 88 5.069 -7.533 2.983 1.00 12.35 C ATOM 1342 O ASP A 88 4.640 -6.386 2.862 1.00 11.82 O ATOM 1343 CB ASP A 88 4.855 -9.133 1.069 1.00 13.21 C ATOM 1344 CG ASP A 88 4.951 -10.583 1.493 1.00 13.68 C ATOM 1345 OD1 ASP A 88 4.713 -10.879 2.680 1.00 13.63 O ATOM 1346 OD2 ASP A 88 5.287 -11.432 0.640 1.00 14.23 O ATOM 0 H ASP A 88 6.972 -9.945 2.098 1.00 12.66 H new ATOM 0 HA ASP A 88 6.183 -7.452 1.155 1.00 12.44 H new ATOM 0 HB2 ASP A 88 3.832 -8.785 1.214 1.00 13.21 H new ATOM 0 HB3 ASP A 88 5.069 -9.058 0.003 1.00 13.21 H new ATOM 1351 N ALA A 89 4.939 -8.240 4.098 1.00 13.02 N ATOM 1352 CA ALA A 89 4.279 -7.692 5.276 1.00 13.24 C ATOM 1353 C ALA A 89 5.134 -6.628 5.958 1.00 12.75 C ATOM 1354 O ALA A 89 4.605 -5.721 6.593 1.00 12.82 O ATOM 1355 CB ALA A 89 3.945 -8.801 6.258 1.00 14.29 C ATOM 0 H ALA A 89 5.282 -9.194 4.212 1.00 13.02 H new ATOM 0 HA ALA A 89 3.356 -7.216 4.944 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.452 -8.376 7.133 1.00 14.29 H new ATOM 0 HB2 ALA A 89 3.280 -9.521 5.781 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.862 -9.303 6.566 1.00 14.29 H new ATOM 1361 N ASP A 90 6.452 -6.736 5.813 1.00 12.38 N ATOM 1362 CA ASP A 90 7.377 -5.822 6.485 1.00 12.03 C ATOM 1363 C ASP A 90 7.150 -4.381 6.040 1.00 11.35 C ATOM 1364 O ASP A 90 6.792 -3.523 6.849 1.00 11.52 O ATOM 1365 CB ASP A 90 8.826 -6.226 6.219 1.00 11.82 C ATOM 1366 CG ASP A 90 9.602 -6.477 7.494 1.00 12.43 C ATOM 1367 OD1 ASP A 90 10.093 -5.501 8.097 1.00 12.67 O ATOM 1368 OD2 ASP A 90 9.720 -7.650 7.909 1.00 12.76 O ATOM 0 H ASP A 90 6.905 -7.446 5.237 1.00 12.38 H new ATOM 0 HA ASP A 90 7.183 -5.887 7.556 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.842 -7.126 5.605 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.319 -5.441 5.646 1.00 11.82 H new ATOM 1373 N ILE A 91 7.376 -4.115 4.756 1.00 10.74 N ATOM 1374 CA ILE A 91 7.166 -2.781 4.196 1.00 10.19 C ATOM 1375 C ILE A 91 5.716 -2.318 4.377 1.00 10.43 C ATOM 1376 O ILE A 91 5.465 -1.145 4.660 1.00 10.36 O ATOM 1377 CB ILE A 91 7.549 -2.736 2.696 1.00 9.70 C ATOM 1378 CG1 ILE A 91 9.072 -2.665 2.543 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.892 -1.557 1.984 1.00 9.94 C ATOM 1380 CD1 ILE A 91 9.696 -1.446 3.194 1.00 9.17 C ATOM 0 H ILE A 91 7.705 -4.806 4.082 1.00 10.74 H new ATOM 0 HA ILE A 91 7.817 -2.099 4.744 1.00 10.19 H new ATOM 0 HB ILE A 91 7.183 -3.651 2.230 1.00 9.70 H new ATOM 0 HG12 ILE A 91 9.514 -3.563 2.976 1.00 9.11 H new ATOM 0 HG13 ILE A 91 9.322 -2.667 1.482 1.00 9.11 H new ATOM 0 HG21 ILE A 91 7.184 -1.558 0.934 1.00 9.94 H new ATOM 0 HG22 ILE A 91 5.808 -1.644 2.060 1.00 9.94 H new ATOM 0 HG23 ILE A 91 7.214 -0.625 2.449 1.00 9.94 H new ATOM 0 HD11 ILE A 91 10.775 -1.466 3.044 1.00 9.17 H new ATOM 0 HD12 ILE A 91 9.283 -0.542 2.745 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.478 -1.452 4.262 1.00 9.17 H new ATOM 1392 N GLN A 92 4.773 -3.244 4.238 1.00 10.89 N ATOM 1393 CA GLN A 92 3.360 -2.914 4.381 1.00 11.26 C ATOM 1394 C GLN A 92 3.068 -2.424 5.796 1.00 11.84 C ATOM 1395 O GLN A 92 2.463 -1.371 5.986 1.00 11.95 O ATOM 1396 CB GLN A 92 2.484 -4.120 4.051 1.00 11.85 C ATOM 1397 CG GLN A 92 1.052 -3.745 3.703 1.00 12.25 C ATOM 1398 CD GLN A 92 0.049 -4.784 4.159 1.00 13.23 C ATOM 1399 OE1 GLN A 92 -0.873 -4.481 4.916 1.00 13.70 O ATOM 1400 NE2 GLN A 92 0.213 -6.011 3.694 1.00 13.70 N ATOM 0 H GLN A 92 4.960 -4.224 4.027 1.00 10.89 H new ATOM 0 HA GLN A 92 3.126 -2.116 3.677 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.924 -4.662 3.214 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.478 -4.800 4.903 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.810 -2.786 4.162 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.967 -3.613 2.624 1.00 12.25 H new ATOM 0 HE21 GLN A 92 0.991 -6.220 3.068 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -0.439 -6.749 3.961 1.00 13.70 H new ATOM 1409 N GLU A 93 3.518 -3.194 6.779 1.00 12.34 N ATOM 1410 CA GLU A 93 3.382 -2.827 8.184 1.00 13.06 C ATOM 1411 C GLU A 93 4.041 -1.478 8.465 1.00 12.81 C ATOM 1412 O GLU A 93 3.556 -0.697 9.283 1.00 13.39 O ATOM 1413 CB GLU A 93 4.015 -3.904 9.063 1.00 13.62 C ATOM 1414 CG GLU A 93 3.249 -4.193 10.339 1.00 14.57 C ATOM 1415 CD GLU A 93 4.107 -4.880 11.379 1.00 15.36 C ATOM 1416 OE1 GLU A 93 5.218 -5.330 11.040 1.00 15.72 O ATOM 1417 OE2 GLU A 93 3.670 -4.980 12.547 1.00 15.75 O ATOM 0 H GLU A 93 3.986 -4.087 6.626 1.00 12.34 H new ATOM 0 HA GLU A 93 2.320 -2.744 8.415 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.099 -4.825 8.486 1.00 13.62 H new ATOM 0 HB3 GLU A 93 5.028 -3.597 9.322 1.00 13.62 H new ATOM 0 HG2 GLU A 93 2.863 -3.259 10.748 1.00 14.57 H new ATOM 0 HG3 GLU A 93 2.388 -4.820 10.109 1.00 14.57 H new ATOM 1424 N LEU A 94 5.135 -1.209 7.766 1.00 12.08 N ATOM 1425 CA LEU A 94 5.887 0.024 7.955 1.00 11.97 C ATOM 1426 C LEU A 94 5.097 1.222 7.435 1.00 11.94 C ATOM 1427 O LEU A 94 4.842 2.171 8.165 1.00 12.57 O ATOM 1428 CB LEU A 94 7.240 -0.061 7.244 1.00 11.31 C ATOM 1429 CG LEU A 94 8.429 0.474 8.044 1.00 11.47 C ATOM 1430 CD1 LEU A 94 8.756 -0.451 9.204 1.00 11.42 C ATOM 1431 CD2 LEU A 94 9.641 0.645 7.140 1.00 11.53 C ATOM 0 H LEU A 94 5.524 -1.833 7.058 1.00 12.08 H new ATOM 0 HA LEU A 94 6.058 0.158 9.023 1.00 11.97 H new ATOM 0 HB2 LEU A 94 7.434 -1.103 6.988 1.00 11.31 H new ATOM 0 HB3 LEU A 94 7.175 0.491 6.306 1.00 11.31 H new ATOM 0 HG LEU A 94 8.159 1.448 8.451 1.00 11.47 H new ATOM 0 HD11 LEU A 94 9.605 -0.052 9.760 1.00 11.42 H new ATOM 0 HD12 LEU A 94 7.892 -0.525 9.865 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.006 -1.440 8.821 1.00 11.42 H new ATOM 0 HD21 LEU A 94 10.479 1.026 7.723 1.00 11.53 H new ATOM 0 HD22 LEU A 94 9.910 -0.318 6.706 1.00 11.53 H new ATOM 0 HD23 LEU A 94 9.404 1.349 6.343 1.00 11.53 H new ATOM 1443 N PHE A 95 4.747 1.181 6.157 1.00 11.31 N ATOM 1444 CA PHE A 95 3.914 2.219 5.553 1.00 11.29 C ATOM 1445 C PHE A 95 2.546 2.349 6.237 1.00 11.98 C ATOM 1446 O PHE A 95 1.927 3.409 6.185 1.00 12.28 O ATOM 1447 CB PHE A 95 3.743 1.957 4.064 1.00 10.57 C ATOM 1448 CG PHE A 95 4.465 2.956 3.214 1.00 10.24 C ATOM 1449 CD1 PHE A 95 3.850 4.136 2.836 1.00 10.59 C ATOM 1450 CD2 PHE A 95 5.757 2.707 2.785 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.513 5.051 2.044 1.00 10.56 C ATOM 1452 CE2 PHE A 95 6.424 3.618 1.994 1.00 9.76 C ATOM 1453 CZ PHE A 95 5.808 4.818 1.661 1.00 10.20 C ATOM 0 H PHE A 95 5.026 0.439 5.515 1.00 11.31 H new ATOM 0 HA PHE A 95 4.430 3.168 5.696 1.00 11.29 H new ATOM 0 HB2 PHE A 95 4.108 0.957 3.831 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.682 1.975 3.816 1.00 10.57 H new ATOM 0 HD1 PHE A 95 2.842 4.343 3.164 1.00 10.59 H new ATOM 0 HD2 PHE A 95 6.248 1.789 3.073 1.00 9.80 H new ATOM 0 HE1 PHE A 95 4.010 5.952 1.725 1.00 10.56 H new ATOM 0 HE2 PHE A 95 7.419 3.400 1.635 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.349 5.566 1.101 1.00 10.20 H new ATOM 1463 N ALA A 96 2.068 1.280 6.864 1.00 12.37 N ATOM 1464 CA ALA A 96 0.855 1.364 7.675 1.00 13.23 C ATOM 1465 C ALA A 96 1.148 2.122 8.967 1.00 14.04 C ATOM 1466 O ALA A 96 0.391 2.994 9.381 1.00 14.68 O ATOM 1467 CB ALA A 96 0.307 -0.025 7.972 1.00 13.64 C ATOM 0 H ALA A 96 2.495 0.354 6.829 1.00 12.37 H new ATOM 0 HA ALA A 96 0.094 1.908 7.116 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.596 0.062 8.577 1.00 13.64 H new ATOM 0 HB2 ALA A 96 0.070 -0.530 7.036 1.00 13.64 H new ATOM 0 HB3 ALA A 96 1.054 -0.602 8.516 1.00 13.64 H new ATOM 1473 N GLU A 97 2.242 1.743 9.609 1.00 14.09 N ATOM 1474 CA GLU A 97 2.804 2.520 10.715 1.00 14.82 C ATOM 1475 C GLU A 97 2.918 3.995 10.305 1.00 14.74 C ATOM 1476 O GLU A 97 2.624 4.903 11.083 1.00 15.58 O ATOM 1477 CB GLU A 97 4.180 1.966 11.097 1.00 14.74 C ATOM 1478 CG GLU A 97 4.578 2.240 12.534 1.00 15.73 C ATOM 1479 CD GLU A 97 5.319 3.549 12.694 1.00 16.14 C ATOM 1480 OE1 GLU A 97 6.204 3.838 11.859 1.00 16.68 O ATOM 1481 OE2 GLU A 97 5.021 4.301 13.647 1.00 16.03 O ATOM 0 H GLU A 97 2.765 0.897 9.385 1.00 14.09 H new ATOM 0 HA GLU A 97 2.145 2.444 11.580 1.00 14.82 H new ATOM 0 HB2 GLU A 97 4.186 0.889 10.928 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.931 2.397 10.434 1.00 14.74 H new ATOM 0 HG2 GLU A 97 3.684 2.254 13.158 1.00 15.73 H new ATOM 0 HG3 GLU A 97 5.206 1.425 12.895 1.00 15.73 H new ATOM 1488 N PHE A 98 3.336 4.201 9.062 1.00 13.84 N ATOM 1489 CA PHE A 98 3.472 5.523 8.449 1.00 13.78 C ATOM 1490 C PHE A 98 2.122 6.240 8.245 1.00 14.08 C ATOM 1491 O PHE A 98 2.083 7.384 7.789 1.00 14.23 O ATOM 1492 CB PHE A 98 4.205 5.375 7.113 1.00 12.84 C ATOM 1493 CG PHE A 98 4.722 6.661 6.546 1.00 12.77 C ATOM 1494 CD1 PHE A 98 5.313 7.612 7.361 1.00 12.86 C ATOM 1495 CD2 PHE A 98 4.612 6.913 5.193 1.00 12.76 C ATOM 1496 CE1 PHE A 98 5.787 8.795 6.831 1.00 12.95 C ATOM 1497 CE2 PHE A 98 5.081 8.094 4.656 1.00 12.87 C ATOM 1498 CZ PHE A 98 5.671 9.037 5.475 1.00 12.97 C ATOM 0 H PHE A 98 3.596 3.439 8.436 1.00 13.84 H new ATOM 0 HA PHE A 98 4.044 6.148 9.134 1.00 13.78 H new ATOM 0 HB2 PHE A 98 5.041 4.688 7.245 1.00 12.84 H new ATOM 0 HB3 PHE A 98 3.529 4.919 6.390 1.00 12.84 H new ATOM 0 HD1 PHE A 98 5.404 7.426 8.421 1.00 12.86 H new ATOM 0 HD2 PHE A 98 4.154 6.178 4.548 1.00 12.76 H new ATOM 0 HE1 PHE A 98 6.248 9.530 7.474 1.00 12.95 H new ATOM 0 HE2 PHE A 98 4.987 8.281 3.596 1.00 12.87 H new ATOM 0 HZ PHE A 98 6.041 9.961 5.057 1.00 12.97 H new ATOM 1508 N GLY A 99 1.025 5.590 8.609 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.277 6.200 8.395 1.00 14.54 C ATOM 1510 C GLY A 99 -1.324 5.268 7.821 1.00 14.14 C ATOM 1511 O GLY A 99 -1.804 4.362 8.502 1.00 14.45 O ATOM 0 H GLY A 99 1.009 4.666 9.042 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -0.640 6.592 9.345 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.159 7.050 7.723 1.00 14.54 H new ATOM 1515 N THR A 100 -1.697 5.509 6.575 1.00 13.58 N ATOM 1516 CA THR A 100 -2.782 4.773 5.946 1.00 13.32 C ATOM 1517 C THR A 100 -2.299 4.051 4.696 1.00 12.31 C ATOM 1518 O THR A 100 -1.900 4.685 3.720 1.00 11.75 O ATOM 1519 CB THR A 100 -3.931 5.724 5.565 1.00 13.60 C ATOM 1520 OG1 THR A 100 -3.443 7.075 5.494 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.057 5.643 6.580 1.00 14.35 C ATOM 0 H THR A 100 -1.263 6.212 5.977 1.00 13.58 H new ATOM 0 HA THR A 100 -3.141 4.038 6.666 1.00 13.32 H new ATOM 0 HB THR A 100 -4.317 5.423 4.591 1.00 13.60 H new ATOM 0 HG1 THR A 100 -4.178 7.676 5.250 1.00 14.03 H new ATOM 0 HG21 THR A 100 -5.858 6.323 6.290 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.442 4.624 6.616 1.00 14.35 H new ATOM 0 HG23 THR A 100 -4.681 5.923 7.564 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.318 2.729 4.731 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.883 1.946 3.589 1.00 11.47 C ATOM 1531 C LEU A 101 -3.046 1.224 2.920 1.00 11.61 C ATOM 1532 O LEU A 101 -3.591 0.259 3.458 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.807 0.947 3.998 1.00 11.39 C ATOM 1534 CG LEU A 101 0.553 1.153 3.328 1.00 10.65 C ATOM 1535 CD1 LEU A 101 1.231 -0.180 3.099 1.00 10.24 C ATOM 1536 CD2 LEU A 101 0.409 1.900 2.009 1.00 10.45 C ATOM 0 H LEU A 101 -2.628 2.179 5.532 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.462 2.641 2.863 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.675 1.000 5.079 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.160 -0.059 3.769 1.00 11.39 H new ATOM 0 HG LEU A 101 1.169 1.757 3.995 1.00 10.65 H new ATOM 0 HD11 LEU A 101 2.198 -0.019 2.622 1.00 10.24 H new ATOM 0 HD12 LEU A 101 1.377 -0.683 4.055 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.607 -0.800 2.455 1.00 10.24 H new ATOM 0 HD21 LEU A 101 1.392 2.032 1.556 1.00 10.45 H new ATOM 0 HD22 LEU A 101 -0.228 1.328 1.334 1.00 10.45 H new ATOM 0 HD23 LEU A 101 -0.040 2.876 2.191 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.416 1.717 1.750 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.451 1.086 0.946 1.00 11.26 C ATOM 1550 C LYS A 102 -3.962 -0.252 0.395 1.00 11.16 C ATOM 1551 O LYS A 102 -4.498 -1.305 0.742 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.894 2.012 -0.192 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.406 2.148 -0.327 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.120 2.007 1.012 1.00 11.57 C ATOM 1555 CE LYS A 102 -7.066 3.295 1.824 1.00 12.20 C ATOM 1556 NZ LYS A 102 -8.364 4.022 1.806 1.00 12.64 N ATOM 0 H LYS A 102 -3.013 2.556 1.334 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.313 0.898 1.585 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.463 3.000 -0.031 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -4.488 1.637 -1.131 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.644 3.118 -0.763 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.777 1.389 -1.016 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -8.160 1.729 0.841 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -6.664 1.199 1.583 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -6.795 3.063 2.854 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -6.283 3.941 1.427 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -8.227 4.967 1.394 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -9.051 3.491 1.233 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -8.723 4.116 2.778 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.946 -0.218 -0.460 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.362 -1.444 -0.988 1.00 10.59 C ATOM 1572 C LYS A 103 -0.847 -1.346 -0.979 1.00 10.09 C ATOM 1573 O LYS A 103 -0.303 -0.261 -1.118 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.865 -1.725 -2.410 1.00 10.70 C ATOM 1575 CG LYS A 103 -3.471 -0.516 -3.106 1.00 10.37 C ATOM 1576 CD LYS A 103 -4.276 -0.919 -4.331 1.00 10.76 C ATOM 1577 CE LYS A 103 -3.387 -1.481 -5.430 1.00 11.04 C ATOM 1578 NZ LYS A 103 -3.807 -2.848 -5.835 1.00 12.01 N ATOM 0 H LYS A 103 -2.512 0.640 -0.800 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.670 -2.271 -0.349 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -2.035 -2.098 -3.010 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.611 -2.519 -2.370 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -4.114 0.021 -2.409 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -2.677 0.170 -3.401 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -5.020 -1.664 -4.048 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -4.820 -0.054 -4.710 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -3.418 -0.820 -6.296 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -2.354 -1.506 -5.084 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -3.177 -3.197 -6.586 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -3.754 -3.485 -5.015 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -4.785 -2.820 -6.189 1.00 12.01 H new ATOM 1592 N ALA A 104 -0.172 -2.468 -0.773 1.00 10.38 N ATOM 1593 CA ALA A 104 1.283 -2.511 -0.856 1.00 10.01 C ATOM 1594 C ALA A 104 1.775 -3.940 -0.975 1.00 10.44 C ATOM 1595 O ALA A 104 1.256 -4.843 -0.319 1.00 10.99 O ATOM 1596 CB ALA A 104 1.922 -1.846 0.353 1.00 9.89 C ATOM 0 H ALA A 104 -0.608 -3.362 -0.547 1.00 10.38 H new ATOM 0 HA ALA A 104 1.576 -1.961 -1.750 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.007 -1.893 0.263 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.607 -0.804 0.404 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.610 -2.364 1.260 1.00 9.89 H new ATOM 1602 N ALA A 105 2.767 -4.136 -1.823 1.00 10.39 N ATOM 1603 CA ALA A 105 3.391 -5.433 -1.993 1.00 10.98 C ATOM 1604 C ALA A 105 4.894 -5.265 -2.113 1.00 10.79 C ATOM 1605 O ALA A 105 5.364 -4.255 -2.633 1.00 10.39 O ATOM 1606 CB ALA A 105 2.844 -6.127 -3.226 1.00 11.52 C ATOM 0 H ALA A 105 3.162 -3.402 -2.412 1.00 10.39 H new ATOM 0 HA ALA A 105 3.167 -6.049 -1.122 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.323 -7.099 -3.339 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.768 -6.263 -3.120 1.00 11.52 H new ATOM 0 HB3 ALA A 105 3.047 -5.518 -4.107 1.00 11.52 H new ATOM 1612 N VAL A 106 5.645 -6.245 -1.645 1.00 11.23 N ATOM 1613 CA VAL A 106 7.092 -6.186 -1.734 1.00 11.21 C ATOM 1614 C VAL A 106 7.583 -7.044 -2.885 1.00 11.93 C ATOM 1615 O VAL A 106 7.334 -8.251 -2.945 1.00 12.59 O ATOM 1616 CB VAL A 106 7.756 -6.636 -0.414 1.00 11.39 C ATOM 1617 CG1 VAL A 106 9.237 -6.918 -0.599 1.00 10.93 C ATOM 1618 CG2 VAL A 106 7.543 -5.579 0.656 1.00 11.99 C ATOM 0 H VAL A 106 5.279 -7.087 -1.201 1.00 11.23 H new ATOM 0 HA VAL A 106 7.374 -5.149 -1.916 1.00 11.21 H new ATOM 0 HB VAL A 106 7.286 -7.567 -0.098 1.00 11.39 H new ATOM 0 HG11 VAL A 106 9.669 -7.232 0.351 1.00 10.93 H new ATOM 0 HG12 VAL A 106 9.367 -7.710 -1.336 1.00 10.93 H new ATOM 0 HG13 VAL A 106 9.739 -6.014 -0.945 1.00 10.93 H new ATOM 0 HG21 VAL A 106 8.013 -5.902 1.585 1.00 11.99 H new ATOM 0 HG22 VAL A 106 7.988 -4.638 0.332 1.00 11.99 H new ATOM 0 HG23 VAL A 106 6.475 -5.438 0.820 1.00 11.99 H new ATOM 1628 N ASP A 107 8.260 -6.388 -3.808 1.00 11.95 N ATOM 1629 CA ASP A 107 8.740 -7.015 -5.021 1.00 12.77 C ATOM 1630 C ASP A 107 10.227 -7.311 -4.936 1.00 13.21 C ATOM 1631 O ASP A 107 10.926 -6.848 -4.033 1.00 12.80 O ATOM 1632 CB ASP A 107 8.460 -6.125 -6.230 1.00 12.61 C ATOM 1633 CG ASP A 107 7.958 -6.920 -7.415 1.00 13.52 C ATOM 1634 OD1 ASP A 107 8.645 -7.878 -7.825 1.00 14.12 O ATOM 1635 OD2 ASP A 107 6.886 -6.583 -7.955 1.00 13.74 O ATOM 0 H ASP A 107 8.493 -5.398 -3.735 1.00 11.95 H new ATOM 0 HA ASP A 107 8.207 -7.958 -5.139 1.00 12.77 H new ATOM 0 HB2 ASP A 107 7.721 -5.370 -5.961 1.00 12.61 H new ATOM 0 HB3 ASP A 107 9.371 -5.595 -6.509 1.00 12.61 H new ATOM 1640 N TYR A 108 10.701 -8.067 -5.899 1.00 14.11 N ATOM 1641 CA TYR A 108 12.043 -8.611 -5.875 1.00 14.67 C ATOM 1642 C TYR A 108 12.529 -8.758 -7.301 1.00 15.44 C ATOM 1643 O TYR A 108 11.780 -8.484 -8.237 1.00 15.72 O ATOM 1644 CB TYR A 108 12.074 -9.959 -5.147 1.00 15.38 C ATOM 1645 CG TYR A 108 12.117 -9.825 -3.639 1.00 14.91 C ATOM 1646 CD1 TYR A 108 13.312 -9.566 -2.980 1.00 15.00 C ATOM 1647 CD2 TYR A 108 10.960 -9.945 -2.878 1.00 14.54 C ATOM 1648 CE1 TYR A 108 13.352 -9.429 -1.606 1.00 14.74 C ATOM 1649 CE2 TYR A 108 10.993 -9.810 -1.503 1.00 14.26 C ATOM 1650 CZ TYR A 108 12.191 -9.551 -0.872 1.00 14.37 C ATOM 1651 OH TYR A 108 12.231 -9.413 0.497 1.00 14.27 O ATOM 0 H TYR A 108 10.164 -8.325 -6.727 1.00 14.11 H new ATOM 0 HA TYR A 108 12.702 -7.934 -5.331 1.00 14.67 H new ATOM 0 HB2 TYR A 108 11.193 -10.536 -5.428 1.00 15.38 H new ATOM 0 HB3 TYR A 108 12.945 -10.524 -5.480 1.00 15.38 H new ATOM 0 HD1 TYR A 108 14.224 -9.470 -3.551 1.00 15.00 H new ATOM 0 HD2 TYR A 108 10.020 -10.147 -3.369 1.00 14.54 H new ATOM 0 HE1 TYR A 108 14.289 -9.227 -1.108 1.00 14.74 H new ATOM 0 HE2 TYR A 108 10.085 -9.907 -0.926 1.00 14.26 H new ATOM 0 HH TYR A 108 11.601 -8.716 0.774 1.00 14.27 H new ATOM 1661 N ASP A 109 13.759 -9.196 -7.486 1.00 15.88 N ATOM 1662 CA ASP A 109 14.289 -9.329 -8.830 1.00 16.70 C ATOM 1663 C ASP A 109 13.963 -10.725 -9.338 1.00 17.75 C ATOM 1664 O ASP A 109 13.421 -11.539 -8.589 1.00 17.90 O ATOM 1665 CB ASP A 109 15.798 -9.088 -8.851 1.00 16.70 C ATOM 1666 CG ASP A 109 16.551 -10.155 -8.098 1.00 17.47 C ATOM 1667 OD1 ASP A 109 16.355 -10.271 -6.874 1.00 17.54 O ATOM 1668 OD2 ASP A 109 17.352 -10.870 -8.732 1.00 18.07 O ATOM 0 H ASP A 109 14.400 -9.462 -6.739 1.00 15.88 H new ATOM 0 HA ASP A 109 13.833 -8.581 -9.478 1.00 16.70 H new ATOM 0 HB2 ASP A 109 16.146 -9.059 -9.884 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.016 -8.114 -8.414 1.00 16.70 H new ATOM 1673 N ARG A 110 14.276 -10.999 -10.595 1.00 18.56 N ATOM 1674 CA ARG A 110 13.971 -12.297 -11.197 1.00 19.67 C ATOM 1675 C ARG A 110 14.566 -13.451 -10.392 1.00 20.06 C ATOM 1676 O ARG A 110 13.956 -14.511 -10.277 1.00 20.72 O ATOM 1677 CB ARG A 110 14.490 -12.350 -12.631 1.00 20.52 C ATOM 1678 CG ARG A 110 13.414 -12.126 -13.677 1.00 20.56 C ATOM 1679 CD ARG A 110 13.992 -12.175 -15.080 1.00 20.89 C ATOM 1680 NE ARG A 110 13.141 -11.489 -16.048 1.00 21.05 N ATOM 1681 CZ ARG A 110 13.407 -10.287 -16.559 1.00 21.24 C ATOM 1682 NH1 ARG A 110 14.487 -9.619 -16.172 1.00 21.27 N ATOM 1683 NH2 ARG A 110 12.585 -9.752 -17.453 1.00 21.49 N ATOM 0 H ARG A 110 14.741 -10.343 -11.222 1.00 18.56 H new ATOM 0 HA ARG A 110 12.887 -12.409 -11.195 1.00 19.67 H new ATOM 0 HB2 ARG A 110 15.267 -11.596 -12.755 1.00 20.52 H new ATOM 0 HB3 ARG A 110 14.956 -13.320 -12.804 1.00 20.52 H new ATOM 0 HG2 ARG A 110 12.639 -12.886 -13.574 1.00 20.56 H new ATOM 0 HG3 ARG A 110 12.937 -11.160 -13.511 1.00 20.56 H new ATOM 0 HD2 ARG A 110 14.982 -11.718 -15.080 1.00 20.89 H new ATOM 0 HD3 ARG A 110 14.120 -13.214 -15.383 1.00 20.89 H new ATOM 0 HE ARG A 110 12.289 -11.959 -16.353 1.00 21.05 H new ATOM 0 HH11 ARG A 110 15.117 -10.025 -15.481 1.00 21.27 H new ATOM 0 HH12 ARG A 110 14.686 -8.699 -16.566 1.00 21.27 H new ATOM 0 HH21 ARG A 110 11.751 -10.260 -17.748 1.00 21.49 H new ATOM 0 HH22 ARG A 110 12.787 -8.832 -17.845 1.00 21.49 H new ATOM 1697 N SER A 111 15.748 -13.236 -9.832 1.00 19.71 N ATOM 1698 CA SER A 111 16.444 -14.280 -9.090 1.00 20.09 C ATOM 1699 C SER A 111 16.071 -14.259 -7.608 1.00 19.34 C ATOM 1700 O SER A 111 16.504 -15.122 -6.843 1.00 19.58 O ATOM 1701 CB SER A 111 17.952 -14.109 -9.258 1.00 20.36 C ATOM 1702 OG SER A 111 18.243 -12.944 -10.014 1.00 20.33 O ATOM 0 H SER A 111 16.246 -12.347 -9.877 1.00 19.71 H new ATOM 0 HA SER A 111 16.139 -15.246 -9.492 1.00 20.09 H new ATOM 0 HB2 SER A 111 18.427 -14.041 -8.279 1.00 20.36 H new ATOM 0 HB3 SER A 111 18.369 -14.985 -9.755 1.00 20.36 H new ATOM 0 HG SER A 111 18.195 -12.156 -9.433 1.00 20.33 H new ATOM 1708 N GLY A 112 15.251 -13.283 -7.216 1.00 18.52 N ATOM 1709 CA GLY A 112 14.862 -13.134 -5.822 1.00 17.87 C ATOM 1710 C GLY A 112 16.054 -13.070 -4.893 1.00 17.53 C ATOM 1711 O GLY A 112 16.182 -13.889 -3.984 1.00 17.59 O ATOM 0 H GLY A 112 14.847 -12.589 -7.845 1.00 18.52 H new ATOM 0 HA2 GLY A 112 14.268 -12.227 -5.709 1.00 17.87 H new ATOM 0 HA3 GLY A 112 14.225 -13.971 -5.534 1.00 17.87 H new ATOM 1715 N ARG A 113 16.921 -12.091 -5.124 1.00 17.30 N ATOM 1716 CA ARG A 113 18.187 -11.981 -4.405 1.00 17.14 C ATOM 1717 C ARG A 113 17.974 -11.825 -2.902 1.00 16.20 C ATOM 1718 O ARG A 113 18.145 -12.785 -2.148 1.00 16.37 O ATOM 1719 CB ARG A 113 19.000 -10.793 -4.930 1.00 17.48 C ATOM 1720 CG ARG A 113 19.564 -11.001 -6.326 1.00 18.02 C ATOM 1721 CD ARG A 113 20.523 -12.177 -6.375 1.00 18.53 C ATOM 1722 NE ARG A 113 21.796 -11.879 -5.720 1.00 18.76 N ATOM 1723 CZ ARG A 113 22.781 -12.764 -5.576 1.00 19.39 C ATOM 1724 NH1 ARG A 113 22.637 -14.002 -6.033 1.00 19.85 N ATOM 1725 NH2 ARG A 113 23.907 -12.405 -4.976 1.00 19.68 N ATOM 0 H ARG A 113 16.768 -11.353 -5.812 1.00 17.30 H new ATOM 0 HA ARG A 113 18.736 -12.906 -4.578 1.00 17.14 H new ATOM 0 HB2 ARG A 113 18.367 -9.905 -4.933 1.00 17.48 H new ATOM 0 HB3 ARG A 113 19.822 -10.596 -4.242 1.00 17.48 H new ATOM 0 HG2 ARG A 113 18.747 -11.169 -7.027 1.00 18.02 H new ATOM 0 HG3 ARG A 113 20.080 -10.097 -6.648 1.00 18.02 H new ATOM 0 HD2 ARG A 113 20.062 -13.040 -5.894 1.00 18.53 H new ATOM 0 HD3 ARG A 113 20.706 -12.451 -7.414 1.00 18.53 H new ATOM 0 HE ARG A 113 21.938 -10.938 -5.352 1.00 18.76 H new ATOM 0 HH11 ARG A 113 21.771 -14.277 -6.496 1.00 19.85 H new ATOM 0 HH12 ARG A 113 23.393 -14.678 -5.922 1.00 19.85 H new ATOM 0 HH21 ARG A 113 24.017 -11.453 -4.626 1.00 19.68 H new ATOM 0 HH22 ARG A 113 24.663 -13.080 -4.864 1.00 19.68 H new ATOM 1739 N SER A 114 17.560 -10.624 -2.491 1.00 15.31 N ATOM 1740 CA SER A 114 17.496 -10.250 -1.068 1.00 14.46 C ATOM 1741 C SER A 114 17.386 -8.732 -0.891 1.00 13.60 C ATOM 1742 O SER A 114 17.571 -8.222 0.214 1.00 13.37 O ATOM 1743 CB SER A 114 18.731 -10.749 -0.297 1.00 14.66 C ATOM 1744 OG SER A 114 19.895 -10.733 -1.112 1.00 15.43 O ATOM 0 H SER A 114 17.261 -9.885 -3.127 1.00 15.31 H new ATOM 0 HA SER A 114 16.602 -10.726 -0.664 1.00 14.46 H new ATOM 0 HB2 SER A 114 18.891 -10.122 0.580 1.00 14.66 H new ATOM 0 HB3 SER A 114 18.552 -11.762 0.063 1.00 14.66 H new ATOM 0 HG SER A 114 20.662 -11.054 -0.593 1.00 15.43 H new ATOM 1750 N LEU A 115 17.105 -8.007 -1.973 1.00 13.29 N ATOM 1751 CA LEU A 115 17.027 -6.548 -1.913 1.00 12.67 C ATOM 1752 C LEU A 115 15.867 -6.087 -1.029 1.00 11.82 C ATOM 1753 O LEU A 115 16.079 -5.570 0.070 1.00 11.50 O ATOM 1754 CB LEU A 115 16.898 -5.943 -3.320 1.00 13.13 C ATOM 1755 CG LEU A 115 16.203 -6.816 -4.372 1.00 13.71 C ATOM 1756 CD1 LEU A 115 15.226 -5.982 -5.185 1.00 13.79 C ATOM 1757 CD2 LEU A 115 17.231 -7.464 -5.286 1.00 14.34 C ATOM 0 H LEU A 115 16.929 -8.403 -2.896 1.00 13.29 H new ATOM 0 HA LEU A 115 17.956 -6.192 -1.467 1.00 12.67 H new ATOM 0 HB2 LEU A 115 16.352 -5.003 -3.240 1.00 13.13 H new ATOM 0 HB3 LEU A 115 17.897 -5.701 -3.682 1.00 13.13 H new ATOM 0 HG LEU A 115 15.649 -7.603 -3.860 1.00 13.71 H new ATOM 0 HD11 LEU A 115 14.739 -6.613 -5.928 1.00 13.79 H new ATOM 0 HD12 LEU A 115 14.473 -5.555 -4.523 1.00 13.79 H new ATOM 0 HD13 LEU A 115 15.764 -5.179 -5.688 1.00 13.79 H new ATOM 0 HD21 LEU A 115 16.722 -8.080 -6.027 1.00 14.34 H new ATOM 0 HD22 LEU A 115 17.807 -6.690 -5.792 1.00 14.34 H new ATOM 0 HD23 LEU A 115 17.902 -8.087 -4.695 1.00 14.34 H new ATOM 1769 N GLY A 116 14.647 -6.280 -1.508 1.00 11.63 N ATOM 1770 CA GLY A 116 13.483 -5.874 -0.746 1.00 10.96 C ATOM 1771 C GLY A 116 12.860 -4.597 -1.272 1.00 10.62 C ATOM 1772 O GLY A 116 12.662 -3.643 -0.524 1.00 10.23 O ATOM 0 H GLY A 116 14.442 -6.710 -2.410 1.00 11.63 H new ATOM 0 HA2 GLY A 116 12.741 -6.672 -0.769 1.00 10.96 H new ATOM 0 HA3 GLY A 116 13.767 -5.733 0.297 1.00 10.96 H new ATOM 1776 N THR A 117 12.575 -4.575 -2.566 1.00 10.92 N ATOM 1777 CA THR A 117 11.862 -3.465 -3.175 1.00 10.75 C ATOM 1778 C THR A 117 10.368 -3.608 -2.909 1.00 10.46 C ATOM 1779 O THR A 117 9.914 -4.685 -2.548 1.00 10.80 O ATOM 1780 CB THR A 117 12.101 -3.428 -4.696 1.00 11.45 C ATOM 1781 OG1 THR A 117 12.255 -4.766 -5.194 1.00 12.11 O ATOM 1782 CG2 THR A 117 13.339 -2.614 -5.037 1.00 11.71 C ATOM 0 H THR A 117 12.829 -5.319 -3.216 1.00 10.92 H new ATOM 0 HA THR A 117 12.234 -2.538 -2.737 1.00 10.75 H new ATOM 0 HB THR A 117 11.238 -2.955 -5.165 1.00 11.45 H new ATOM 0 HG1 THR A 117 11.685 -5.374 -4.679 1.00 12.11 H new ATOM 0 HG21 THR A 117 13.483 -2.606 -6.117 1.00 11.71 H new ATOM 0 HG22 THR A 117 13.212 -1.592 -4.680 1.00 11.71 H new ATOM 0 HG23 THR A 117 14.211 -3.060 -4.559 1.00 11.71 H new ATOM 1790 N ALA A 118 9.597 -2.546 -3.076 1.00 9.99 N ATOM 1791 CA ALA A 118 8.155 -2.653 -2.899 1.00 9.78 C ATOM 1792 C ALA A 118 7.392 -1.620 -3.713 1.00 9.60 C ATOM 1793 O ALA A 118 7.967 -0.647 -4.212 1.00 9.55 O ATOM 1794 CB ALA A 118 7.773 -2.542 -1.429 1.00 9.47 C ATOM 0 H ALA A 118 9.934 -1.617 -3.329 1.00 9.99 H new ATOM 0 HA ALA A 118 7.872 -3.639 -3.267 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.691 -2.625 -1.327 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.253 -3.343 -0.867 1.00 9.47 H new ATOM 0 HB3 ALA A 118 8.101 -1.578 -1.040 1.00 9.47 H new ATOM 1800 N ASP A 119 6.094 -1.870 -3.836 1.00 9.67 N ATOM 1801 CA ASP A 119 5.159 -0.969 -4.493 1.00 9.53 C ATOM 1802 C ASP A 119 3.936 -0.803 -3.604 1.00 9.23 C ATOM 1803 O ASP A 119 3.178 -1.753 -3.399 1.00 9.46 O ATOM 1804 CB ASP A 119 4.735 -1.529 -5.859 1.00 10.06 C ATOM 1805 CG ASP A 119 3.829 -0.590 -6.650 1.00 10.01 C ATOM 1806 OD1 ASP A 119 2.669 -0.366 -6.238 1.00 9.84 O ATOM 1807 OD2 ASP A 119 4.268 -0.097 -7.713 1.00 10.21 O ATOM 0 H ASP A 119 5.656 -2.718 -3.476 1.00 9.67 H new ATOM 0 HA ASP A 119 5.641 -0.005 -4.655 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.627 -1.741 -6.448 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.219 -2.477 -5.709 1.00 10.06 H new ATOM 1812 N VAL A 120 3.772 0.377 -3.035 1.00 8.97 N ATOM 1813 CA VAL A 120 2.598 0.662 -2.228 1.00 8.93 C ATOM 1814 C VAL A 120 1.722 1.677 -2.949 1.00 8.97 C ATOM 1815 O VAL A 120 2.217 2.546 -3.663 1.00 9.03 O ATOM 1816 CB VAL A 120 2.946 1.147 -0.788 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.335 0.694 -0.369 1.00 9.07 C ATOM 1818 CG2 VAL A 120 2.817 2.654 -0.648 1.00 9.06 C ATOM 0 H VAL A 120 4.432 1.150 -3.115 1.00 8.97 H new ATOM 0 HA VAL A 120 2.053 -0.273 -2.102 1.00 8.93 H new ATOM 0 HB VAL A 120 2.218 0.687 -0.120 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.545 1.050 0.640 1.00 9.07 H new ATOM 0 HG12 VAL A 120 4.384 -0.395 -0.388 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.074 1.102 -1.058 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.069 2.948 0.371 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.497 3.144 -1.345 1.00 9.06 H new ATOM 0 HG23 VAL A 120 1.793 2.954 -0.869 1.00 9.06 H new ATOM 1828 N HIS A 121 0.422 1.545 -2.793 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.511 2.370 -3.519 1.00 9.24 C ATOM 1830 C HIS A 121 -1.548 2.958 -2.583 1.00 9.55 C ATOM 1831 O HIS A 121 -2.175 2.233 -1.810 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.210 1.519 -4.571 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.743 1.770 -5.967 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.194 0.984 -6.607 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.121 2.706 -6.867 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.360 1.422 -7.837 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.426 2.465 -8.023 1.00 9.93 N ATOM 0 H HIS A 121 -0.012 0.869 -2.165 1.00 9.13 H new ATOM 0 HA HIS A 121 0.034 3.187 -3.992 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.057 0.467 -4.332 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.283 1.705 -4.519 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.681 0.189 -6.192 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -1.838 3.497 -6.705 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.028 0.998 -8.572 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.718 4.266 -2.637 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.823 4.897 -1.944 1.00 10.32 C ATOM 1848 C PHE A 122 -3.629 5.727 -2.933 1.00 10.49 C ATOM 1849 O PHE A 122 -3.126 6.102 -3.991 1.00 10.27 O ATOM 1850 CB PHE A 122 -2.356 5.763 -0.763 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.867 5.847 -0.569 1.00 10.49 C ATOM 1852 CD1 PHE A 122 -0.085 6.563 -1.459 1.00 10.41 C ATOM 1853 CD2 PHE A 122 -0.248 5.194 0.483 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.283 6.629 -1.301 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.118 5.255 0.643 1.00 10.36 C ATOM 1856 CZ PHE A 122 1.874 6.030 -0.174 1.00 10.28 C ATOM 0 H PHE A 122 -1.111 4.906 -3.149 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.450 4.111 -1.524 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.744 6.772 -0.900 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.802 5.371 0.151 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.552 7.076 -2.287 1.00 10.41 H new ATOM 0 HD2 PHE A 122 -0.843 4.630 1.186 1.00 10.52 H new ATOM 0 HE1 PHE A 122 1.894 7.135 -2.034 1.00 10.34 H new ATOM 0 HE2 PHE A 122 1.592 4.681 1.426 1.00 10.36 H new ATOM 0 HZ PHE A 122 2.921 6.186 0.039 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.885 5.971 -2.608 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.789 6.691 -3.500 1.00 11.27 C ATOM 1868 C GLU A 123 -5.565 8.196 -3.417 1.00 11.67 C ATOM 1869 O GLU A 123 -6.093 8.957 -4.228 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.250 6.364 -3.167 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.421 5.198 -2.207 1.00 11.97 C ATOM 1872 CD GLU A 123 -7.286 5.612 -0.754 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -6.145 5.698 -0.262 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -8.321 5.867 -0.108 1.00 12.67 O ATOM 0 H GLU A 123 -5.309 5.681 -1.727 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.574 6.367 -4.518 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.720 7.248 -2.736 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.781 6.140 -4.092 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -8.400 4.745 -2.362 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.677 4.434 -2.434 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.783 8.624 -2.441 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.585 10.041 -2.197 1.00 12.58 C ATOM 1883 C ARG A 124 -3.238 10.504 -2.728 1.00 12.40 C ATOM 1884 O ARG A 124 -2.222 9.833 -2.542 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.672 10.327 -0.702 1.00 13.34 C ATOM 1886 CG ARG A 124 -6.093 10.309 -0.159 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.264 9.271 0.941 1.00 14.19 C ATOM 1888 NE ARG A 124 -5.191 9.341 1.933 1.00 14.36 N ATOM 1889 CZ ARG A 124 -5.277 9.982 3.095 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -6.405 10.588 3.444 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -4.228 10.025 3.905 1.00 15.04 N ATOM 0 H ARG A 124 -4.275 8.010 -1.805 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.368 10.589 -2.721 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -4.077 9.588 -0.164 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.228 11.302 -0.501 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -6.346 11.295 0.229 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.790 10.097 -0.970 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -7.224 9.421 1.435 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -6.285 8.275 0.499 1.00 14.19 H new ATOM 0 HE ARG A 124 -4.315 8.865 1.718 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -7.211 10.563 2.820 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -6.466 11.078 4.336 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -3.357 9.567 3.636 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -4.292 10.516 4.797 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.227 11.656 -3.381 1.00 12.78 N ATOM 1906 CA ARG A 125 -1.994 12.234 -3.889 1.00 12.90 C ATOM 1907 C ARG A 125 -1.214 12.906 -2.764 1.00 13.56 C ATOM 1908 O ARG A 125 0.016 12.904 -2.765 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.298 13.244 -4.997 1.00 13.36 C ATOM 1910 CG ARG A 125 -3.388 12.784 -5.950 1.00 13.29 C ATOM 1911 CD ARG A 125 -4.082 13.959 -6.612 1.00 13.69 C ATOM 1912 NE ARG A 125 -5.198 14.460 -5.812 1.00 14.28 N ATOM 1913 CZ ARG A 125 -6.471 14.102 -6.000 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -6.798 13.258 -6.972 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -7.422 14.591 -5.214 1.00 15.26 N ATOM 0 H ARG A 125 -4.062 12.210 -3.572 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.383 11.432 -4.303 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -2.597 14.190 -4.545 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -1.387 13.435 -5.564 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -2.955 12.138 -6.714 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -4.120 12.187 -5.406 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -3.362 14.762 -6.772 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -4.447 13.658 -7.594 1.00 13.69 H new ATOM 0 HE ARG A 125 -4.992 15.123 -5.065 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -6.074 12.878 -7.582 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -7.773 12.990 -7.108 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -7.181 15.241 -4.466 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -8.394 14.317 -5.358 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.937 13.489 -1.812 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.317 14.068 -0.621 1.00 15.01 C ATOM 1931 C ALA A 126 -0.564 13.000 0.162 1.00 14.54 C ATOM 1932 O ALA A 126 0.473 13.271 0.766 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.362 14.727 0.264 1.00 15.90 C ATOM 0 H ALA A 126 -2.953 13.574 -1.841 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.608 14.830 -0.945 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.878 15.151 1.144 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.862 15.520 -0.292 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.096 13.984 0.576 1.00 15.90 H new ATOM 1939 N ASP A 127 -1.101 11.783 0.133 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.443 10.627 0.738 1.00 13.28 C ATOM 1941 C ASP A 127 0.956 10.468 0.155 1.00 12.77 C ATOM 1942 O ASP A 127 1.917 10.167 0.866 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.252 9.351 0.483 1.00 12.65 C ATOM 1944 CG ASP A 127 -2.041 8.890 1.694 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -1.763 9.382 2.809 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.922 8.019 1.550 1.00 13.51 O ATOM 0 H ASP A 127 -1.997 11.571 -0.306 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.376 10.790 1.814 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -1.939 9.524 -0.345 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.574 8.555 0.175 1.00 12.65 H new ATOM 1951 N ALA A 128 1.066 10.726 -1.143 1.00 12.51 N ATOM 1952 CA ALA A 128 2.333 10.617 -1.842 1.00 12.26 C ATOM 1953 C ALA A 128 3.200 11.830 -1.548 1.00 13.19 C ATOM 1954 O ALA A 128 4.405 11.715 -1.345 1.00 13.28 O ATOM 1955 CB ALA A 128 2.106 10.474 -3.340 1.00 11.90 C ATOM 0 H ALA A 128 0.285 11.014 -1.733 1.00 12.51 H new ATOM 0 HA ALA A 128 2.850 9.725 -1.488 1.00 12.26 H new ATOM 0 HB1 ALA A 128 3.067 10.394 -3.848 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.517 9.578 -3.535 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.571 11.348 -3.712 1.00 11.90 H new ATOM 1961 N LEU A 129 2.567 12.995 -1.516 1.00 13.95 N ATOM 1962 CA LEU A 129 3.249 14.243 -1.200 1.00 15.01 C ATOM 1963 C LEU A 129 3.933 14.150 0.163 1.00 15.35 C ATOM 1964 O LEU A 129 5.133 14.419 0.294 1.00 15.80 O ATOM 1965 CB LEU A 129 2.242 15.395 -1.209 1.00 15.79 C ATOM 1966 CG LEU A 129 2.842 16.794 -1.073 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.384 17.679 -2.222 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.455 17.407 0.265 1.00 17.74 C ATOM 0 H LEU A 129 1.571 13.102 -1.707 1.00 13.95 H new ATOM 0 HA LEU A 129 4.014 14.429 -1.954 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.674 15.351 -2.138 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.534 15.242 -0.395 1.00 15.79 H new ATOM 0 HG LEU A 129 3.928 16.715 -1.113 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.819 18.672 -2.112 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.707 17.244 -3.168 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.297 17.756 -2.211 1.00 17.52 H new ATOM 0 HD21 LEU A 129 2.889 18.403 0.348 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.369 17.478 0.332 1.00 17.74 H new ATOM 0 HD23 LEU A 129 2.829 16.780 1.074 1.00 17.74 H new ATOM 1980 N LYS A 130 3.168 13.750 1.171 1.00 15.21 N ATOM 1981 CA LYS A 130 3.695 13.599 2.517 1.00 15.60 C ATOM 1982 C LYS A 130 4.814 12.559 2.542 1.00 14.90 C ATOM 1983 O LYS A 130 5.848 12.771 3.172 1.00 15.34 O ATOM 1984 CB LYS A 130 2.576 13.199 3.489 1.00 15.68 C ATOM 1985 CG LYS A 130 3.020 12.225 4.574 1.00 15.55 C ATOM 1986 CD LYS A 130 3.160 12.912 5.921 1.00 15.23 C ATOM 1987 CE LYS A 130 2.755 11.991 7.060 1.00 15.09 C ATOM 1988 NZ LYS A 130 1.761 12.628 7.961 1.00 15.23 N ATOM 0 H LYS A 130 2.178 13.524 1.079 1.00 15.21 H new ATOM 0 HA LYS A 130 4.106 14.558 2.834 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.180 14.098 3.961 1.00 15.68 H new ATOM 0 HB3 LYS A 130 1.760 12.750 2.923 1.00 15.68 H new ATOM 0 HG2 LYS A 130 2.297 11.413 4.653 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.973 11.777 4.293 1.00 15.55 H new ATOM 0 HD2 LYS A 130 4.192 13.234 6.061 1.00 15.23 H new ATOM 0 HD3 LYS A 130 2.541 13.809 5.939 1.00 15.23 H new ATOM 0 HE2 LYS A 130 2.337 11.071 6.652 1.00 15.09 H new ATOM 0 HE3 LYS A 130 3.639 11.713 7.634 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 1.511 11.967 8.724 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 2.168 13.493 8.371 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.907 12.871 7.419 1.00 15.23 H new ATOM 2002 N ALA A 131 4.612 11.454 1.835 1.00 13.87 N ATOM 2003 CA ALA A 131 5.579 10.362 1.840 1.00 13.19 C ATOM 2004 C ALA A 131 6.877 10.764 1.149 1.00 13.49 C ATOM 2005 O ALA A 131 7.962 10.379 1.582 1.00 13.49 O ATOM 2006 CB ALA A 131 4.989 9.118 1.192 1.00 12.14 C ATOM 0 H ALA A 131 3.791 11.290 1.253 1.00 13.87 H new ATOM 0 HA ALA A 131 5.814 10.133 2.879 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.727 8.316 1.206 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.103 8.806 1.744 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.714 9.340 0.161 1.00 12.14 H new ATOM 2012 N MET A 132 6.772 11.561 0.093 1.00 13.87 N ATOM 2013 CA MET A 132 7.949 11.984 -0.654 1.00 14.40 C ATOM 2014 C MET A 132 8.726 13.054 0.105 1.00 15.49 C ATOM 2015 O MET A 132 9.909 13.273 -0.154 1.00 16.00 O ATOM 2016 CB MET A 132 7.556 12.489 -2.051 1.00 14.59 C ATOM 2017 CG MET A 132 7.107 13.940 -2.095 1.00 15.65 C ATOM 2018 SD MET A 132 6.715 14.500 -3.764 1.00 16.00 S ATOM 2019 CE MET A 132 5.549 13.242 -4.286 1.00 15.55 C ATOM 0 H MET A 132 5.889 11.926 -0.264 1.00 13.87 H new ATOM 0 HA MET A 132 8.598 11.117 -0.773 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.407 12.365 -2.721 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.753 11.862 -2.437 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.230 14.064 -1.460 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.893 14.571 -1.680 1.00 15.65 H new ATOM 0 HE1 MET A 132 4.994 13.598 -5.154 1.00 15.55 H new ATOM 0 HE2 MET A 132 6.089 12.332 -4.549 1.00 15.55 H new ATOM 0 HE3 MET A 132 4.854 13.030 -3.473 1.00 15.55 H new ATOM 2029 N LYS A 133 8.063 13.731 1.034 1.00 15.95 N ATOM 2030 CA LYS A 133 8.735 14.723 1.860 1.00 17.04 C ATOM 2031 C LYS A 133 9.240 14.108 3.162 1.00 16.95 C ATOM 2032 O LYS A 133 10.359 14.381 3.598 1.00 17.55 O ATOM 2033 CB LYS A 133 7.787 15.885 2.163 1.00 17.76 C ATOM 2034 CG LYS A 133 8.075 17.133 1.344 1.00 18.70 C ATOM 2035 CD LYS A 133 7.410 17.074 -0.022 1.00 18.27 C ATOM 2036 CE LYS A 133 6.174 17.959 -0.081 1.00 18.99 C ATOM 2037 NZ LYS A 133 6.417 19.207 -0.852 1.00 19.60 N ATOM 0 H LYS A 133 7.070 13.612 1.233 1.00 15.95 H new ATOM 0 HA LYS A 133 9.596 15.096 1.305 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.762 15.565 1.975 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.855 16.132 3.223 1.00 17.76 H new ATOM 0 HG2 LYS A 133 7.722 18.012 1.883 1.00 18.70 H new ATOM 0 HG3 LYS A 133 9.152 17.247 1.220 1.00 18.70 H new ATOM 0 HD2 LYS A 133 8.120 17.388 -0.787 1.00 18.27 H new ATOM 0 HD3 LYS A 133 7.132 16.044 -0.248 1.00 18.27 H new ATOM 0 HE2 LYS A 133 5.353 17.405 -0.537 1.00 18.99 H new ATOM 0 HE3 LYS A 133 5.862 18.214 0.932 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 5.549 19.780 -0.867 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 7.182 19.749 -0.403 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 6.689 18.966 -1.826 1.00 19.60 H new ATOM 2051 N GLN A 134 8.410 13.279 3.777 1.00 16.27 N ATOM 2052 CA GLN A 134 8.733 12.687 5.069 1.00 16.27 C ATOM 2053 C GLN A 134 9.629 11.466 4.921 1.00 15.45 C ATOM 2054 O GLN A 134 10.750 11.450 5.429 1.00 15.79 O ATOM 2055 CB GLN A 134 7.452 12.301 5.812 1.00 16.14 C ATOM 2056 CG GLN A 134 7.009 13.326 6.843 1.00 17.25 C ATOM 2057 CD GLN A 134 7.112 14.750 6.338 1.00 18.04 C ATOM 2058 OE1 GLN A 134 7.990 15.507 6.752 1.00 18.75 O ATOM 2059 NE2 GLN A 134 6.220 15.124 5.433 1.00 18.01 N ATOM 0 H GLN A 134 7.504 12.999 3.401 1.00 16.27 H new ATOM 0 HA GLN A 134 9.276 13.436 5.645 1.00 16.27 H new ATOM 0 HB2 GLN A 134 6.651 12.159 5.087 1.00 16.14 H new ATOM 0 HB3 GLN A 134 7.606 11.343 6.308 1.00 16.14 H new ATOM 0 HG2 GLN A 134 5.978 13.122 7.132 1.00 17.25 H new ATOM 0 HG3 GLN A 134 7.619 13.219 7.740 1.00 17.25 H new ATOM 0 HE21 GLN A 134 5.508 14.466 5.116 1.00 18.01 H new ATOM 0 HE22 GLN A 134 6.245 16.070 5.053 1.00 18.01 H new ATOM 2068 N TYR A 135 9.138 10.449 4.222 1.00 14.42 N ATOM 2069 CA TYR A 135 9.861 9.186 4.106 1.00 13.63 C ATOM 2070 C TYR A 135 11.117 9.341 3.264 1.00 13.70 C ATOM 2071 O TYR A 135 12.195 8.885 3.649 1.00 13.69 O ATOM 2072 CB TYR A 135 8.962 8.112 3.496 1.00 12.62 C ATOM 2073 CG TYR A 135 8.708 6.942 4.415 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.552 7.129 5.781 1.00 12.42 C ATOM 2075 CD2 TYR A 135 8.619 5.652 3.915 1.00 12.60 C ATOM 2076 CE1 TYR A 135 8.312 6.064 6.624 1.00 12.52 C ATOM 2077 CE2 TYR A 135 8.378 4.579 4.751 1.00 12.68 C ATOM 2078 CZ TYR A 135 8.224 4.789 6.105 1.00 12.67 C ATOM 2079 OH TYR A 135 7.983 3.722 6.937 1.00 12.97 O ATOM 0 H TYR A 135 8.246 10.473 3.728 1.00 14.42 H new ATOM 0 HA TYR A 135 10.157 8.883 5.110 1.00 13.63 H new ATOM 0 HB2 TYR A 135 8.008 8.562 3.222 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.419 7.748 2.576 1.00 12.62 H new ATOM 0 HD1 TYR A 135 8.620 8.126 6.191 1.00 12.42 H new ATOM 0 HD2 TYR A 135 8.740 5.483 2.855 1.00 12.60 H new ATOM 0 HE1 TYR A 135 8.194 6.228 7.685 1.00 12.52 H new ATOM 0 HE2 TYR A 135 8.311 3.580 4.346 1.00 12.68 H new ATOM 0 HH TYR A 135 7.715 2.945 6.403 1.00 12.97 H new ATOM 2089 N LYS A 136 10.975 9.975 2.111 1.00 13.88 N ATOM 2090 CA LYS A 136 12.102 10.161 1.213 1.00 14.15 C ATOM 2091 C LYS A 136 13.126 11.100 1.834 1.00 15.09 C ATOM 2092 O LYS A 136 12.854 12.280 2.054 1.00 15.85 O ATOM 2093 CB LYS A 136 11.632 10.700 -0.135 1.00 14.36 C ATOM 2094 CG LYS A 136 12.611 10.434 -1.265 1.00 14.69 C ATOM 2095 CD LYS A 136 12.753 11.642 -2.179 1.00 15.46 C ATOM 2096 CE LYS A 136 13.305 12.849 -1.434 1.00 15.93 C ATOM 2097 NZ LYS A 136 12.299 13.936 -1.319 1.00 16.56 N ATOM 0 H LYS A 136 10.095 10.367 1.777 1.00 13.88 H new ATOM 0 HA LYS A 136 12.574 9.192 1.049 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.671 10.249 -0.383 1.00 14.36 H new ATOM 0 HB3 LYS A 136 11.468 11.774 -0.051 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.585 10.175 -0.850 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.273 9.576 -1.845 1.00 14.69 H new ATOM 0 HD2 LYS A 136 13.413 11.394 -3.010 1.00 15.46 H new ATOM 0 HD3 LYS A 136 11.782 11.891 -2.607 1.00 15.46 H new ATOM 0 HE2 LYS A 136 13.627 12.545 -0.438 1.00 15.93 H new ATOM 0 HE3 LYS A 136 14.187 13.224 -1.953 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 12.626 14.640 -0.627 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 12.174 14.392 -2.245 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 11.392 13.537 -1.004 1.00 16.56 H new ATOM 2111 N GLY A 137 14.307 10.565 2.102 1.00 15.10 N ATOM 2112 CA GLY A 137 15.340 11.331 2.762 1.00 15.97 C ATOM 2113 C GLY A 137 15.669 10.778 4.132 1.00 15.85 C ATOM 2114 O GLY A 137 16.537 11.300 4.829 1.00 16.53 O ATOM 0 H GLY A 137 14.569 9.606 1.872 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.239 11.333 2.146 1.00 15.97 H new ATOM 0 HA3 GLY A 137 15.017 12.368 2.858 1.00 15.97 H new ATOM 2118 N VAL A 138 14.959 9.732 4.530 1.00 15.06 N ATOM 2119 CA VAL A 138 15.213 9.074 5.806 1.00 15.00 C ATOM 2120 C VAL A 138 16.257 7.976 5.649 1.00 14.61 C ATOM 2121 O VAL A 138 16.065 7.027 4.883 1.00 13.92 O ATOM 2122 CB VAL A 138 13.921 8.472 6.408 1.00 14.53 C ATOM 2123 CG1 VAL A 138 14.233 7.579 7.602 1.00 14.37 C ATOM 2124 CG2 VAL A 138 12.960 9.577 6.814 1.00 14.92 C ATOM 0 H VAL A 138 14.201 9.319 3.987 1.00 15.06 H new ATOM 0 HA VAL A 138 15.588 9.837 6.488 1.00 15.00 H new ATOM 0 HB VAL A 138 13.449 7.858 5.641 1.00 14.53 H new ATOM 0 HG11 VAL A 138 13.305 7.171 8.003 1.00 14.37 H new ATOM 0 HG12 VAL A 138 14.882 6.762 7.286 1.00 14.37 H new ATOM 0 HG13 VAL A 138 14.735 8.164 8.372 1.00 14.37 H new ATOM 0 HG21 VAL A 138 12.056 9.137 7.236 1.00 14.92 H new ATOM 0 HG22 VAL A 138 13.434 10.216 7.559 1.00 14.92 H new ATOM 0 HG23 VAL A 138 12.699 10.172 5.939 1.00 14.92 H new ATOM 2134 N PRO A 139 17.393 8.113 6.345 1.00 15.15 N ATOM 2135 CA PRO A 139 18.383 7.049 6.432 1.00 14.91 C ATOM 2136 C PRO A 139 17.863 5.917 7.302 1.00 14.45 C ATOM 2137 O PRO A 139 17.552 6.122 8.474 1.00 14.71 O ATOM 2138 CB PRO A 139 19.593 7.727 7.080 1.00 15.76 C ATOM 2139 CG PRO A 139 19.027 8.873 7.845 1.00 16.48 C ATOM 2140 CD PRO A 139 17.800 9.316 7.094 1.00 16.12 C ATOM 0 HA PRO A 139 18.622 6.606 5.465 1.00 14.91 H new ATOM 0 HB2 PRO A 139 20.127 7.039 7.736 1.00 15.76 H new ATOM 0 HB3 PRO A 139 20.305 8.067 6.328 1.00 15.76 H new ATOM 0 HG2 PRO A 139 18.774 8.574 8.862 1.00 16.48 H new ATOM 0 HG3 PRO A 139 19.750 9.685 7.922 1.00 16.48 H new ATOM 0 HD2 PRO A 139 17.015 9.650 7.772 1.00 16.12 H new ATOM 0 HD3 PRO A 139 18.019 10.149 6.425 1.00 16.12 H new ATOM 2148 N LEU A 140 17.760 4.729 6.736 1.00 13.94 N ATOM 2149 CA LEU A 140 17.157 3.620 7.442 1.00 13.62 C ATOM 2150 C LEU A 140 18.240 2.630 7.815 1.00 13.69 C ATOM 2151 O LEU A 140 18.646 1.812 6.991 1.00 13.37 O ATOM 2152 CB LEU A 140 16.088 2.945 6.579 1.00 12.88 C ATOM 2153 CG LEU A 140 15.070 2.102 7.350 1.00 12.84 C ATOM 2154 CD1 LEU A 140 14.021 2.992 7.997 1.00 13.08 C ATOM 2155 CD2 LEU A 140 14.415 1.086 6.427 1.00 12.35 C ATOM 0 H LEU A 140 18.085 4.510 5.794 1.00 13.94 H new ATOM 0 HA LEU A 140 16.670 3.988 8.345 1.00 13.62 H new ATOM 0 HB2 LEU A 140 15.553 3.715 6.023 1.00 12.88 H new ATOM 0 HB3 LEU A 140 16.583 2.308 5.846 1.00 12.88 H new ATOM 0 HG LEU A 140 15.594 1.563 8.139 1.00 12.84 H new ATOM 0 HD11 LEU A 140 13.306 2.375 8.541 1.00 13.08 H new ATOM 0 HD12 LEU A 140 14.505 3.681 8.689 1.00 13.08 H new ATOM 0 HD13 LEU A 140 13.499 3.559 7.226 1.00 13.08 H new ATOM 0 HD21 LEU A 140 13.694 0.494 6.991 1.00 12.35 H new ATOM 0 HD22 LEU A 140 13.904 1.607 5.617 1.00 12.35 H new ATOM 0 HD23 LEU A 140 15.178 0.428 6.011 1.00 12.35 H new ATOM 2167 N ASP A 141 18.692 2.719 9.059 1.00 14.24 N ATOM 2168 CA ASP A 141 19.866 1.984 9.521 1.00 14.50 C ATOM 2169 C ASP A 141 21.055 2.227 8.597 1.00 14.65 C ATOM 2170 O ASP A 141 21.280 1.496 7.628 1.00 14.60 O ATOM 2171 CB ASP A 141 19.583 0.483 9.634 1.00 14.25 C ATOM 2172 CG ASP A 141 20.582 -0.226 10.531 1.00 14.67 C ATOM 2173 OD1 ASP A 141 21.768 0.166 10.548 1.00 14.68 O ATOM 2174 OD2 ASP A 141 20.186 -1.175 11.237 1.00 15.08 O ATOM 0 H ASP A 141 18.258 3.301 9.776 1.00 14.24 H new ATOM 0 HA ASP A 141 20.111 2.356 10.516 1.00 14.50 H new ATOM 0 HB2 ASP A 141 18.577 0.334 10.026 1.00 14.25 H new ATOM 0 HB3 ASP A 141 19.608 0.035 8.641 1.00 14.25 H new ATOM 2179 N GLY A 142 21.811 3.267 8.882 1.00 14.99 N ATOM 2180 CA GLY A 142 23.008 3.521 8.120 1.00 15.30 C ATOM 2181 C GLY A 142 22.787 4.459 6.957 1.00 15.13 C ATOM 2182 O GLY A 142 23.278 5.586 6.968 1.00 15.53 O ATOM 0 H GLY A 142 21.619 3.939 9.625 1.00 14.99 H new ATOM 0 HA2 GLY A 142 23.767 3.942 8.779 1.00 15.30 H new ATOM 0 HA3 GLY A 142 23.400 2.575 7.746 1.00 15.30 H new ATOM 2186 N ARG A 143 22.038 4.021 5.950 1.00 14.64 N ATOM 2187 CA ARG A 143 21.941 4.777 4.707 1.00 14.58 C ATOM 2188 C ARG A 143 20.489 5.101 4.379 1.00 14.18 C ATOM 2189 O ARG A 143 19.582 4.373 4.780 1.00 13.64 O ATOM 2190 CB ARG A 143 22.568 3.980 3.557 1.00 14.55 C ATOM 2191 CG ARG A 143 23.975 3.487 3.849 1.00 14.62 C ATOM 2192 CD ARG A 143 24.945 3.877 2.746 1.00 15.01 C ATOM 2193 NE ARG A 143 25.719 5.070 3.089 1.00 15.55 N ATOM 2194 CZ ARG A 143 26.901 5.044 3.709 1.00 16.06 C ATOM 2195 NH1 ARG A 143 27.437 3.887 4.084 1.00 16.09 N ATOM 2196 NH2 ARG A 143 27.542 6.179 3.960 1.00 16.66 N ATOM 0 H ARG A 143 21.496 3.157 5.969 1.00 14.64 H new ATOM 0 HA ARG A 143 22.483 5.714 4.835 1.00 14.58 H new ATOM 0 HB2 ARG A 143 21.932 3.124 3.332 1.00 14.55 H new ATOM 0 HB3 ARG A 143 22.590 4.604 2.664 1.00 14.55 H new ATOM 0 HG2 ARG A 143 24.317 3.901 4.798 1.00 14.62 H new ATOM 0 HG3 ARG A 143 23.966 2.403 3.959 1.00 14.62 H new ATOM 0 HD2 ARG A 143 25.625 3.048 2.552 1.00 15.01 H new ATOM 0 HD3 ARG A 143 24.392 4.057 1.824 1.00 15.01 H new ATOM 0 HE ARG A 143 25.331 5.979 2.839 1.00 15.55 H new ATOM 0 HH11 ARG A 143 26.945 3.013 3.898 1.00 16.09 H new ATOM 0 HH12 ARG A 143 28.340 3.873 4.557 1.00 16.09 H new ATOM 0 HH21 ARG A 143 27.131 7.069 3.679 1.00 16.66 H new ATOM 0 HH22 ARG A 143 28.445 6.161 4.434 1.00 16.66 H new ATOM 2210 N PRO A 144 20.250 6.205 3.654 1.00 14.56 N ATOM 2211 CA PRO A 144 18.901 6.629 3.273 1.00 14.25 C ATOM 2212 C PRO A 144 18.210 5.624 2.359 1.00 13.50 C ATOM 2213 O PRO A 144 18.823 5.067 1.443 1.00 13.51 O ATOM 2214 CB PRO A 144 19.121 7.957 2.537 1.00 15.09 C ATOM 2215 CG PRO A 144 20.496 8.393 2.915 1.00 15.66 C ATOM 2216 CD PRO A 144 21.275 7.135 3.155 1.00 15.41 C ATOM 0 HA PRO A 144 18.251 6.718 4.144 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.032 7.828 1.458 1.00 15.09 H new ATOM 0 HB3 PRO A 144 18.378 8.698 2.832 1.00 15.09 H new ATOM 0 HG2 PRO A 144 20.949 8.988 2.122 1.00 15.66 H new ATOM 0 HG3 PRO A 144 20.476 9.017 3.809 1.00 15.66 H new ATOM 0 HD2 PRO A 144 21.743 6.769 2.241 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.072 7.286 3.883 1.00 15.41 H new ATOM 2224 N MET A 145 16.932 5.395 2.615 1.00 12.97 N ATOM 2225 CA MET A 145 16.151 4.469 1.809 1.00 12.29 C ATOM 2226 C MET A 145 15.453 5.208 0.672 1.00 12.48 C ATOM 2227 O MET A 145 15.236 6.419 0.744 1.00 13.04 O ATOM 2228 CB MET A 145 15.128 3.721 2.673 1.00 11.64 C ATOM 2229 CG MET A 145 14.140 4.628 3.385 1.00 11.69 C ATOM 2230 SD MET A 145 12.808 3.714 4.184 1.00 11.33 S ATOM 2231 CE MET A 145 12.186 4.953 5.318 1.00 11.40 C ATOM 0 H MET A 145 16.413 5.837 3.374 1.00 12.97 H new ATOM 0 HA MET A 145 16.832 3.735 1.378 1.00 12.29 H new ATOM 0 HB2 MET A 145 14.576 3.024 2.043 1.00 11.64 H new ATOM 0 HB3 MET A 145 15.660 3.127 3.416 1.00 11.64 H new ATOM 0 HG2 MET A 145 14.669 5.219 4.133 1.00 11.69 H new ATOM 0 HG3 MET A 145 13.714 5.329 2.667 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.493 4.489 6.019 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.018 5.393 5.868 1.00 11.40 H new ATOM 0 HE3 MET A 145 11.668 5.732 4.758 1.00 11.40 H new ATOM 2241 N ASP A 146 15.102 4.470 -0.366 1.00 12.13 N ATOM 2242 CA ASP A 146 14.505 5.054 -1.560 1.00 12.38 C ATOM 2243 C ASP A 146 13.006 4.823 -1.580 1.00 11.73 C ATOM 2244 O ASP A 146 12.544 3.691 -1.460 1.00 11.11 O ATOM 2245 CB ASP A 146 15.132 4.443 -2.814 1.00 12.64 C ATOM 2246 CG ASP A 146 14.614 5.056 -4.102 1.00 13.31 C ATOM 2247 OD1 ASP A 146 14.472 6.294 -4.171 1.00 13.71 O ATOM 2248 OD2 ASP A 146 14.374 4.294 -5.066 1.00 13.51 O ATOM 0 H ASP A 146 15.220 3.458 -0.408 1.00 12.13 H new ATOM 0 HA ASP A 146 14.695 6.127 -1.545 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.214 4.568 -2.769 1.00 12.64 H new ATOM 0 HB3 ASP A 146 14.936 3.371 -2.825 1.00 12.64 H new ATOM 2253 N ILE A 147 12.259 5.903 -1.750 1.00 11.99 N ATOM 2254 CA ILE A 147 10.806 5.847 -1.777 1.00 11.55 C ATOM 2255 C ILE A 147 10.281 6.935 -2.700 1.00 12.03 C ATOM 2256 O ILE A 147 10.277 8.115 -2.351 1.00 12.66 O ATOM 2257 CB ILE A 147 10.166 6.024 -0.380 1.00 11.54 C ATOM 2258 CG1 ILE A 147 11.020 6.958 0.494 1.00 12.01 C ATOM 2259 CG2 ILE A 147 9.948 4.672 0.288 1.00 10.85 C ATOM 2260 CD1 ILE A 147 11.791 6.263 1.596 1.00 11.93 C ATOM 0 H ILE A 147 12.642 6.840 -1.873 1.00 11.99 H new ATOM 0 HA ILE A 147 10.532 4.855 -2.136 1.00 11.55 H new ATOM 0 HB ILE A 147 9.189 6.491 -0.502 1.00 11.54 H new ATOM 0 HG12 ILE A 147 11.725 7.488 -0.146 1.00 12.01 H new ATOM 0 HG13 ILE A 147 10.370 7.709 0.942 1.00 12.01 H new ATOM 0 HG21 ILE A 147 9.497 4.820 1.269 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.285 4.064 -0.328 1.00 10.85 H new ATOM 0 HG23 ILE A 147 10.905 4.164 0.401 1.00 10.85 H new ATOM 0 HD11 ILE A 147 12.364 6.999 2.160 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.094 5.757 2.264 1.00 11.93 H new ATOM 0 HD13 ILE A 147 12.471 5.532 1.159 1.00 11.93 H new ATOM 2272 N GLN A 148 9.866 6.534 -3.884 1.00 11.86 N ATOM 2273 CA GLN A 148 9.384 7.480 -4.876 1.00 12.36 C ATOM 2274 C GLN A 148 7.911 7.260 -5.139 1.00 11.92 C ATOM 2275 O GLN A 148 7.458 6.125 -5.237 1.00 11.28 O ATOM 2276 CB GLN A 148 10.182 7.347 -6.170 1.00 12.71 C ATOM 2277 CG GLN A 148 11.657 7.662 -6.001 1.00 13.36 C ATOM 2278 CD GLN A 148 12.492 7.209 -7.177 1.00 13.82 C ATOM 2279 OE1 GLN A 148 12.162 7.480 -8.333 1.00 14.37 O ATOM 2280 NE2 GLN A 148 13.580 6.516 -6.898 1.00 13.78 N ATOM 0 H GLN A 148 9.852 5.560 -4.185 1.00 11.86 H new ATOM 0 HA GLN A 148 9.520 8.490 -4.489 1.00 12.36 H new ATOM 0 HB2 GLN A 148 10.076 6.331 -6.551 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.759 8.015 -6.920 1.00 12.71 H new ATOM 0 HG2 GLN A 148 11.781 8.736 -5.866 1.00 13.36 H new ATOM 0 HG3 GLN A 148 12.025 7.182 -5.094 1.00 13.36 H new ATOM 0 HE21 GLN A 148 13.820 6.312 -5.928 1.00 13.78 H new ATOM 0 HE22 GLN A 148 14.181 6.185 -7.653 1.00 13.78 H new ATOM 2289 N LEU A 149 7.168 8.342 -5.281 1.00 12.38 N ATOM 2290 CA LEU A 149 5.733 8.256 -5.442 1.00 12.11 C ATOM 2291 C LEU A 149 5.342 8.928 -6.739 1.00 12.57 C ATOM 2292 O LEU A 149 5.297 10.155 -6.839 1.00 13.35 O ATOM 2293 CB LEU A 149 5.037 8.899 -4.251 1.00 12.48 C ATOM 2294 CG LEU A 149 5.446 8.307 -2.905 1.00 12.21 C ATOM 2295 CD1 LEU A 149 6.387 9.240 -2.172 1.00 11.94 C ATOM 2296 CD2 LEU A 149 4.229 7.996 -2.060 1.00 12.16 C ATOM 0 H LEU A 149 7.538 9.292 -5.288 1.00 12.38 H new ATOM 0 HA LEU A 149 5.422 7.212 -5.483 1.00 12.11 H new ATOM 0 HB2 LEU A 149 5.254 9.967 -4.249 1.00 12.48 H new ATOM 0 HB3 LEU A 149 3.959 8.793 -4.371 1.00 12.48 H new ATOM 0 HG LEU A 149 5.974 7.372 -3.093 1.00 12.21 H new ATOM 0 HD11 LEU A 149 6.666 8.798 -1.215 1.00 11.94 H new ATOM 0 HD12 LEU A 149 7.283 9.399 -2.773 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.891 10.195 -2.000 1.00 11.94 H new ATOM 0 HD21 LEU A 149 4.546 7.575 -1.106 1.00 12.16 H new ATOM 0 HD22 LEU A 149 3.665 8.912 -1.883 1.00 12.16 H new ATOM 0 HD23 LEU A 149 3.598 7.277 -2.582 1.00 12.16 H new ATOM 2308 N VAL A 150 5.057 8.111 -7.730 1.00 12.18 N ATOM 2309 CA VAL A 150 4.883 8.594 -9.084 1.00 12.66 C ATOM 2310 C VAL A 150 3.426 8.531 -9.519 1.00 12.39 C ATOM 2311 O VAL A 150 2.624 7.799 -8.931 1.00 11.73 O ATOM 2312 CB VAL A 150 5.753 7.789 -10.074 1.00 12.72 C ATOM 2313 CG1 VAL A 150 7.184 8.307 -10.069 1.00 13.21 C ATOM 2314 CG2 VAL A 150 5.725 6.303 -9.742 1.00 12.72 C ATOM 0 H VAL A 150 4.940 7.103 -7.623 1.00 12.18 H new ATOM 0 HA VAL A 150 5.202 9.636 -9.093 1.00 12.66 H new ATOM 0 HB VAL A 150 5.338 7.921 -11.073 1.00 12.72 H new ATOM 0 HG11 VAL A 150 7.783 7.728 -10.772 1.00 13.21 H new ATOM 0 HG12 VAL A 150 7.192 9.356 -10.363 1.00 13.21 H new ATOM 0 HG13 VAL A 150 7.603 8.208 -9.068 1.00 13.21 H new ATOM 0 HG21 VAL A 150 6.346 5.759 -10.454 1.00 12.72 H new ATOM 0 HG22 VAL A 150 6.109 6.148 -8.734 1.00 12.72 H new ATOM 0 HG23 VAL A 150 4.700 5.936 -9.800 1.00 12.72 H new ATOM 2324 N ALA A 151 3.099 9.362 -10.510 1.00 13.01 N ATOM 2325 CA ALA A 151 1.786 9.361 -11.160 1.00 12.96 C ATOM 2326 C ALA A 151 0.658 9.673 -10.179 1.00 13.33 C ATOM 2327 O ALA A 151 -0.497 9.336 -10.427 1.00 13.35 O ATOM 2328 CB ALA A 151 1.532 8.032 -11.858 1.00 12.65 C ATOM 0 H ALA A 151 3.741 10.059 -10.887 1.00 13.01 H new ATOM 0 HA ALA A 151 1.797 10.155 -11.906 1.00 12.96 H new ATOM 0 HB1 ALA A 151 0.552 8.053 -12.334 1.00 12.65 H new ATOM 0 HB2 ALA A 151 2.299 7.866 -12.614 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.563 7.225 -11.126 1.00 12.65 H new