USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 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 9:sc= 0.805 USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.614) USER MOD Single : A 16 ASN : amide:sc= -1.14! X(o=-1.1!,f=-0.76) USER MOD Single : A 18 ASN : amide:sc= 0.854 K(o=0.85,f=-0.0056) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0815 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 180:sc= -0.144 USER MOD Single : A 81 ASN : amide:sc= 1.19 K(o=1.2,f=-9.7!) USER MOD Single : A 87 SER OG : rot 77:sc= 0.72 USER MOD Single : A 92 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.7!) USER MOD Single : A 100 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.12) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 65:sc= 1.3 USER MOD Single : A 114 SER OG : rot 180:sc= -0.179 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 121 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-5.8!) USER MOD Single : A 130 LYS NZ :NH3+ 163:sc= 2.38 (180deg=0.863) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 135 TYR OH : rot 167:sc= -0.0076 USER MOD Single : A 136 LYS NZ :NH3+ -160:sc= -0.0352 (180deg=-0.314) USER MOD Single : A 145 MET CE :methyl 176:sc= 0 (180deg=-0.0147) USER MOD Single : A 148 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -60.557 79.673 -52.356 1.00 17.93 N ATOM 109 CA SER A 8 -59.125 79.431 -52.334 1.00 18.07 C ATOM 110 C SER A 8 -58.594 79.307 -53.762 1.00 17.91 C ATOM 111 O SER A 8 -57.915 78.338 -54.102 1.00 17.61 O ATOM 112 CB SER A 8 -58.840 78.157 -51.541 1.00 18.00 C ATOM 113 OG SER A 8 -60.053 77.559 -51.100 1.00 17.96 O ATOM 0 HA SER A 8 -58.620 80.268 -51.853 1.00 18.07 H new ATOM 0 HB2 SER A 8 -58.286 77.453 -52.161 1.00 18.00 H new ATOM 0 HB3 SER A 8 -58.210 78.390 -50.682 1.00 18.00 H new ATOM 0 HG SER A 8 -60.813 78.016 -51.517 1.00 17.96 H new ATOM 119 N LEU A 9 -58.908 80.306 -54.583 1.00 18.20 N ATOM 120 CA LEU A 9 -58.586 80.276 -56.005 1.00 18.26 C ATOM 121 C LEU A 9 -57.089 80.111 -56.235 1.00 18.43 C ATOM 122 O LEU A 9 -56.674 79.390 -57.142 1.00 18.25 O ATOM 123 CB LEU A 9 -59.087 81.550 -56.692 1.00 18.77 C ATOM 124 CG LEU A 9 -58.615 82.862 -56.062 1.00 18.82 C ATOM 125 CD1 LEU A 9 -57.855 83.695 -57.077 1.00 19.04 C ATOM 126 CD2 LEU A 9 -59.798 83.642 -55.509 1.00 18.92 C ATOM 0 H LEU A 9 -59.390 81.153 -54.283 1.00 18.20 H new ATOM 0 HA LEU A 9 -59.090 79.413 -56.441 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -58.767 81.531 -57.734 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -60.177 81.538 -56.693 1.00 18.77 H new ATOM 0 HG LEU A 9 -57.942 82.627 -55.237 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -57.527 84.625 -56.612 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -56.986 83.138 -57.427 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -58.505 83.922 -57.922 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -59.445 84.572 -55.064 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -60.495 83.867 -56.316 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -60.304 83.046 -54.749 1.00 18.92 H new ATOM 138 N ASP A 10 -56.284 80.760 -55.402 1.00 18.85 N ATOM 139 CA ASP A 10 -54.833 80.680 -55.534 1.00 19.17 C ATOM 140 C ASP A 10 -54.361 79.252 -55.319 1.00 18.74 C ATOM 141 O ASP A 10 -53.546 78.736 -56.083 1.00 18.78 O ATOM 142 CB ASP A 10 -54.142 81.607 -54.536 1.00 19.78 C ATOM 143 CG ASP A 10 -52.631 81.546 -54.643 1.00 19.90 C ATOM 144 OD1 ASP A 10 -52.052 82.315 -55.436 1.00 19.72 O ATOM 145 OD2 ASP A 10 -52.009 80.722 -53.939 1.00 20.27 O ATOM 0 H ASP A 10 -56.608 81.345 -54.632 1.00 18.85 H new ATOM 0 HA ASP A 10 -54.569 80.997 -56.543 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -54.475 82.631 -54.705 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -54.443 81.337 -53.524 1.00 19.78 H new ATOM 150 N ASP A 11 -54.900 78.610 -54.290 1.00 18.38 N ATOM 151 CA ASP A 11 -54.530 77.239 -53.959 1.00 18.04 C ATOM 152 C ASP A 11 -55.024 76.275 -55.032 1.00 17.56 C ATOM 153 O ASP A 11 -54.408 75.239 -55.282 1.00 17.42 O ATOM 154 CB ASP A 11 -55.094 76.845 -52.594 1.00 17.93 C ATOM 155 CG ASP A 11 -54.610 75.483 -52.135 1.00 17.97 C ATOM 156 OD1 ASP A 11 -53.379 75.265 -52.111 1.00 18.05 O ATOM 157 OD2 ASP A 11 -55.453 74.621 -51.807 1.00 17.99 O ATOM 0 H ASP A 11 -55.598 79.018 -53.668 1.00 18.38 H new ATOM 0 HA ASP A 11 -53.442 77.181 -53.916 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -54.809 77.595 -51.857 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -56.183 76.843 -52.642 1.00 17.93 H new ATOM 162 N ILE A 12 -56.138 76.615 -55.669 1.00 17.40 N ATOM 163 CA ILE A 12 -56.625 75.835 -56.798 1.00 17.12 C ATOM 164 C ILE A 12 -55.647 75.943 -57.956 1.00 17.38 C ATOM 165 O ILE A 12 -55.267 74.940 -58.546 1.00 17.18 O ATOM 166 CB ILE A 12 -58.009 76.293 -57.282 1.00 17.14 C ATOM 167 CG1 ILE A 12 -59.026 76.239 -56.141 1.00 16.99 C ATOM 168 CG2 ILE A 12 -58.468 75.423 -58.448 1.00 17.02 C ATOM 169 CD1 ILE A 12 -60.262 77.076 -56.389 1.00 17.20 C ATOM 0 H ILE A 12 -56.716 77.419 -55.425 1.00 17.40 H new ATOM 0 HA ILE A 12 -56.713 74.804 -56.454 1.00 17.12 H new ATOM 0 HB ILE A 12 -57.935 77.326 -57.621 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -59.325 75.203 -55.981 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -58.547 76.578 -55.222 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -59.450 75.755 -58.785 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -57.755 75.508 -59.268 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -58.527 74.384 -58.125 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -60.937 76.989 -55.538 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -59.975 78.119 -56.519 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -60.765 76.724 -57.289 1.00 17.20 H new ATOM 181 N ILE A 13 -55.264 77.171 -58.281 1.00 17.90 N ATOM 182 CA ILE A 13 -54.226 77.423 -59.282 1.00 18.37 C ATOM 183 C ILE A 13 -52.965 76.628 -58.947 1.00 18.32 C ATOM 184 O ILE A 13 -52.354 76.005 -59.818 1.00 18.33 O ATOM 185 CB ILE A 13 -53.869 78.924 -59.361 1.00 19.08 C ATOM 186 CG1 ILE A 13 -55.077 79.740 -59.823 1.00 19.19 C ATOM 187 CG2 ILE A 13 -52.688 79.153 -60.298 1.00 19.74 C ATOM 188 CD1 ILE A 13 -54.923 81.229 -59.597 1.00 19.76 C ATOM 0 H ILE A 13 -55.657 78.015 -57.865 1.00 17.90 H new ATOM 0 HA ILE A 13 -54.620 77.107 -60.248 1.00 18.37 H new ATOM 0 HB ILE A 13 -53.585 79.256 -58.363 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -55.244 79.557 -60.884 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -55.965 79.391 -59.296 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -52.456 80.217 -60.337 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -51.820 78.605 -59.930 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -52.943 78.800 -61.297 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -55.817 81.745 -59.948 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -54.786 81.423 -58.533 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -54.055 81.593 -60.147 1.00 19.76 H new ATOM 200 N LYS A 14 -52.588 76.659 -57.676 1.00 18.34 N ATOM 201 CA LYS A 14 -51.459 75.880 -57.182 1.00 18.38 C ATOM 202 C LYS A 14 -51.637 74.400 -57.509 1.00 17.73 C ATOM 203 O LYS A 14 -50.811 73.807 -58.197 1.00 17.76 O ATOM 204 CB LYS A 14 -51.314 76.052 -55.671 1.00 18.59 C ATOM 205 CG LYS A 14 -50.867 77.441 -55.243 1.00 19.27 C ATOM 206 CD LYS A 14 -49.580 77.863 -55.936 1.00 19.91 C ATOM 207 CE LYS A 14 -49.400 79.373 -55.902 1.00 20.52 C ATOM 208 NZ LYS A 14 -49.556 79.922 -54.528 1.00 21.03 N ATOM 0 H LYS A 14 -53.052 77.221 -56.962 1.00 18.34 H new ATOM 0 HA LYS A 14 -50.558 76.245 -57.675 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -52.270 75.828 -55.198 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -50.596 75.321 -55.300 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -51.654 78.161 -55.469 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -50.720 77.458 -54.163 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -48.730 77.383 -55.451 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -49.593 77.520 -56.971 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -48.412 79.629 -56.285 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -50.129 79.840 -56.564 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -49.064 80.836 -54.461 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -50.566 80.057 -54.321 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -49.147 79.258 -53.840 1.00 21.03 H new ATOM 222 N LEU A 15 -52.736 73.820 -57.034 1.00 17.23 N ATOM 223 CA LEU A 15 -53.021 72.405 -57.246 1.00 16.69 C ATOM 224 C LEU A 15 -53.253 72.100 -58.724 1.00 16.61 C ATOM 225 O LEU A 15 -53.153 70.951 -59.151 1.00 16.40 O ATOM 226 CB LEU A 15 -54.245 71.984 -56.431 1.00 16.34 C ATOM 227 CG LEU A 15 -54.058 70.725 -55.580 1.00 16.28 C ATOM 228 CD1 LEU A 15 -53.427 71.076 -54.241 1.00 16.26 C ATOM 229 CD2 LEU A 15 -55.388 70.018 -55.375 1.00 16.28 C ATOM 0 H LEU A 15 -53.448 74.313 -56.496 1.00 17.23 H new ATOM 0 HA LEU A 15 -52.152 71.837 -56.913 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -54.526 72.808 -55.775 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -55.079 71.821 -57.114 1.00 16.34 H new ATOM 0 HG LEU A 15 -53.387 70.048 -56.109 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -53.301 70.169 -53.649 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -52.454 71.538 -54.407 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -54.073 71.772 -53.706 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -55.236 69.126 -54.768 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -56.082 70.688 -54.867 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -55.801 69.733 -56.342 1.00 16.28 H new ATOM 241 N ASN A 16 -53.570 73.136 -59.491 1.00 16.87 N ATOM 242 CA ASN A 16 -53.779 73.009 -60.929 1.00 17.01 C ATOM 243 C ASN A 16 -52.464 72.703 -61.627 1.00 17.40 C ATOM 244 O ASN A 16 -52.325 71.694 -62.312 1.00 17.38 O ATOM 245 CB ASN A 16 -54.358 74.301 -61.504 1.00 17.36 C ATOM 246 CG ASN A 16 -55.808 74.163 -61.895 1.00 17.34 C ATOM 247 OD1 ASN A 16 -56.131 73.858 -63.042 1.00 17.60 O ATOM 248 ND2 ASN A 16 -56.694 74.383 -60.940 1.00 17.15 N ATOM 0 H ASN A 16 -53.689 74.085 -59.136 1.00 16.87 H new ATOM 0 HA ASN A 16 -54.482 72.193 -61.097 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -54.258 75.099 -60.768 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -53.777 74.598 -62.377 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -57.691 74.302 -61.141 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -56.381 74.634 -60.002 1.00 17.15 H new ATOM 255 N ARG A 17 -51.496 73.589 -61.437 1.00 17.84 N ATOM 256 CA ARG A 17 -50.180 73.420 -62.033 1.00 18.36 C ATOM 257 C ARG A 17 -49.416 72.306 -61.325 1.00 18.04 C ATOM 258 O ARG A 17 -48.544 71.662 -61.908 1.00 18.25 O ATOM 259 CB ARG A 17 -49.393 74.731 -61.971 1.00 19.06 C ATOM 260 CG ARG A 17 -49.066 75.181 -60.555 1.00 19.37 C ATOM 261 CD ARG A 17 -49.088 76.692 -60.430 1.00 19.91 C ATOM 262 NE ARG A 17 -47.817 77.213 -59.938 1.00 20.74 N ATOM 263 CZ ARG A 17 -47.336 78.416 -60.243 1.00 21.41 C ATOM 264 NH1 ARG A 17 -48.016 79.215 -61.058 1.00 21.38 N ATOM 265 NH2 ARG A 17 -46.165 78.809 -59.752 1.00 22.20 N ATOM 0 H ARG A 17 -51.599 74.433 -60.874 1.00 17.84 H new ATOM 0 HA ARG A 17 -50.306 73.143 -63.080 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -48.464 74.614 -62.529 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -49.967 75.513 -62.468 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -49.785 74.747 -59.860 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -48.082 74.806 -60.272 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -49.311 77.134 -61.401 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -49.889 76.989 -59.753 1.00 19.91 H new ATOM 0 HE ARG A 17 -47.263 76.618 -59.322 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -48.906 78.906 -61.449 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -47.648 80.137 -61.292 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -45.634 78.188 -59.141 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -45.797 79.731 -59.986 1.00 22.20 H new ATOM 279 N ASN A 18 -49.752 72.077 -60.064 1.00 17.62 N ATOM 280 CA ASN A 18 -49.131 71.017 -59.290 1.00 17.37 C ATOM 281 C ASN A 18 -49.991 69.760 -59.328 1.00 16.66 C ATOM 282 O ASN A 18 -49.927 68.921 -58.427 1.00 16.34 O ATOM 283 CB ASN A 18 -48.902 71.457 -57.842 1.00 17.47 C ATOM 284 CG ASN A 18 -47.622 70.892 -57.259 1.00 17.64 C ATOM 285 OD1 ASN A 18 -46.679 71.625 -56.967 1.00 17.99 O ATOM 286 ND2 ASN A 18 -47.578 69.582 -57.093 1.00 17.50 N ATOM 0 H ASN A 18 -50.454 72.614 -59.555 1.00 17.62 H new ATOM 0 HA ASN A 18 -48.162 70.796 -59.736 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -48.868 72.546 -57.798 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -49.747 71.139 -57.231 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -46.740 69.144 -56.710 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -48.382 69.008 -57.348 1.00 17.50 H new ATOM 700 N ALA A 44 -24.303 32.244 -43.847 1.00 11.18 N ATOM 701 CA ALA A 44 -23.794 30.881 -43.998 1.00 10.95 C ATOM 702 C ALA A 44 -22.300 30.858 -44.319 1.00 11.14 C ATOM 703 O ALA A 44 -21.903 30.584 -45.451 1.00 11.37 O ATOM 704 CB ALA A 44 -24.587 30.127 -45.059 1.00 10.91 C ATOM 0 HA ALA A 44 -23.924 30.377 -43.040 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -24.193 29.115 -45.157 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -25.636 30.082 -44.766 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -24.500 30.644 -46.014 1.00 10.91 H new ATOM 710 N PRO A 45 -21.450 31.158 -43.319 1.00 11.20 N ATOM 711 CA PRO A 45 -19.988 31.087 -43.464 1.00 11.61 C ATOM 712 C PRO A 45 -19.513 29.674 -43.799 1.00 11.90 C ATOM 713 O PRO A 45 -18.472 29.482 -44.430 1.00 12.39 O ATOM 714 CB PRO A 45 -19.471 31.504 -42.083 1.00 11.62 C ATOM 715 CG PRO A 45 -20.591 32.265 -41.470 1.00 11.27 C ATOM 716 CD PRO A 45 -21.840 31.611 -41.974 1.00 11.04 C ATOM 0 HA PRO A 45 -19.628 31.717 -44.277 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -19.208 30.635 -41.481 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -18.574 32.118 -42.166 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -20.541 32.229 -40.382 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -20.555 33.316 -41.757 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -22.145 30.779 -41.340 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -22.676 32.309 -42.009 1.00 11.04 H new ATOM 724 N TYR A 46 -20.285 28.695 -43.356 1.00 11.78 N ATOM 725 CA TYR A 46 -20.007 27.295 -43.626 1.00 12.25 C ATOM 726 C TYR A 46 -21.287 26.627 -44.123 1.00 12.17 C ATOM 727 O TYR A 46 -21.993 27.195 -44.956 1.00 12.24 O ATOM 728 CB TYR A 46 -19.485 26.616 -42.356 1.00 12.71 C ATOM 729 CG TYR A 46 -18.336 25.664 -42.600 1.00 13.40 C ATOM 730 CD1 TYR A 46 -18.566 24.322 -42.875 1.00 13.66 C ATOM 731 CD2 TYR A 46 -17.021 26.107 -42.548 1.00 13.96 C ATOM 732 CE1 TYR A 46 -17.519 23.450 -43.092 1.00 14.45 C ATOM 733 CE2 TYR A 46 -15.969 25.240 -42.763 1.00 14.73 C ATOM 734 CZ TYR A 46 -16.223 23.913 -43.034 1.00 14.98 C ATOM 735 OH TYR A 46 -15.175 23.046 -43.244 1.00 15.86 O ATOM 0 H TYR A 46 -21.124 28.850 -42.798 1.00 11.78 H new ATOM 0 HA TYR A 46 -19.239 27.202 -44.394 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -19.165 27.383 -41.651 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -20.303 26.070 -41.885 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -19.581 23.955 -42.920 1.00 13.66 H new ATOM 0 HD2 TYR A 46 -16.818 27.146 -42.336 1.00 13.96 H new ATOM 0 HE1 TYR A 46 -17.715 22.410 -43.306 1.00 14.45 H new ATOM 0 HE2 TYR A 46 -14.952 25.600 -42.719 1.00 14.73 H new ATOM 0 HH TYR A 46 -14.328 23.533 -43.169 1.00 15.86 H new ATOM 745 N SER A 47 -21.594 25.434 -43.618 1.00 12.21 N ATOM 746 CA SER A 47 -22.879 24.808 -43.888 1.00 12.38 C ATOM 747 C SER A 47 -23.996 25.721 -43.396 1.00 11.92 C ATOM 748 O SER A 47 -25.026 25.886 -44.050 1.00 11.98 O ATOM 749 CB SER A 47 -22.952 23.450 -43.191 1.00 12.96 C ATOM 750 OG SER A 47 -21.724 23.157 -42.537 1.00 13.21 O ATOM 0 H SER A 47 -20.972 24.887 -43.023 1.00 12.21 H new ATOM 0 HA SER A 47 -22.993 24.652 -44.961 1.00 12.38 H new ATOM 0 HB2 SER A 47 -23.766 23.451 -42.466 1.00 12.96 H new ATOM 0 HB3 SER A 47 -23.176 22.672 -43.921 1.00 12.96 H new ATOM 0 HG SER A 47 -21.789 22.285 -42.095 1.00 13.21 H new ATOM 756 N ARG A 48 -23.754 26.329 -42.242 1.00 11.60 N ATOM 757 CA ARG A 48 -24.654 27.307 -41.664 1.00 11.33 C ATOM 758 C ARG A 48 -23.865 28.211 -40.723 1.00 10.91 C ATOM 759 O ARG A 48 -22.753 27.863 -40.324 1.00 10.95 O ATOM 760 CB ARG A 48 -25.794 26.610 -40.911 1.00 11.76 C ATOM 761 CG ARG A 48 -25.398 26.087 -39.538 1.00 12.38 C ATOM 762 CD ARG A 48 -26.611 25.635 -38.744 1.00 12.85 C ATOM 763 NE ARG A 48 -27.428 24.676 -39.487 1.00 12.95 N ATOM 764 CZ ARG A 48 -27.185 23.368 -39.538 1.00 13.65 C ATOM 765 NH1 ARG A 48 -26.153 22.850 -38.884 1.00 14.27 N ATOM 766 NH2 ARG A 48 -27.986 22.578 -40.243 1.00 13.88 N ATOM 0 H ARG A 48 -22.921 26.153 -41.680 1.00 11.60 H new ATOM 0 HA ARG A 48 -25.097 27.908 -42.458 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -26.622 27.310 -40.797 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -26.159 25.779 -41.514 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -24.705 25.254 -39.651 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -24.872 26.867 -38.988 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -26.283 25.183 -37.808 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -27.217 26.503 -38.484 1.00 12.85 H new ATOM 0 HE ARG A 48 -28.235 25.032 -39.999 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -25.540 23.455 -38.338 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -25.973 21.847 -38.928 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -28.783 22.974 -40.742 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -27.805 21.575 -40.286 1.00 13.88 H new ATOM 780 N PRO A 49 -24.395 29.400 -40.398 1.00 10.69 N ATOM 781 CA PRO A 49 -23.788 30.285 -39.398 1.00 10.51 C ATOM 782 C PRO A 49 -23.655 29.601 -38.039 1.00 10.52 C ATOM 783 O PRO A 49 -24.657 29.292 -37.388 1.00 10.80 O ATOM 784 CB PRO A 49 -24.768 31.458 -39.315 1.00 10.63 C ATOM 785 CG PRO A 49 -25.503 31.433 -40.610 1.00 10.68 C ATOM 786 CD PRO A 49 -25.603 29.987 -40.994 1.00 10.80 C ATOM 0 HA PRO A 49 -22.776 30.583 -39.673 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -25.449 31.345 -38.472 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -24.243 32.403 -39.177 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -26.492 31.880 -40.507 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -24.973 32.004 -41.372 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -26.510 29.527 -40.602 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -25.622 29.858 -42.076 1.00 10.80 H new ATOM 794 N LYS A 50 -22.421 29.366 -37.623 1.00 10.36 N ATOM 795 CA LYS A 50 -22.153 28.680 -36.368 1.00 10.37 C ATOM 796 C LYS A 50 -21.967 29.680 -35.239 1.00 10.32 C ATOM 797 O LYS A 50 -21.028 30.480 -35.254 1.00 10.35 O ATOM 798 CB LYS A 50 -20.907 27.803 -36.498 1.00 10.47 C ATOM 799 CG LYS A 50 -21.102 26.602 -37.407 1.00 10.65 C ATOM 800 CD LYS A 50 -21.789 25.461 -36.678 1.00 10.86 C ATOM 801 CE LYS A 50 -20.817 24.333 -36.367 1.00 11.05 C ATOM 802 NZ LYS A 50 -21.504 23.163 -35.765 1.00 11.40 N ATOM 0 H LYS A 50 -21.585 29.641 -38.138 1.00 10.36 H new ATOM 0 HA LYS A 50 -23.010 28.047 -36.135 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -20.085 28.408 -36.880 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -20.613 27.455 -35.508 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -21.696 26.892 -38.273 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -20.135 26.267 -37.782 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -22.227 25.831 -35.751 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -22.608 25.079 -37.287 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -20.312 24.026 -37.283 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -20.048 24.694 -35.684 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -20.808 22.416 -35.567 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -21.965 23.450 -34.878 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -22.221 22.803 -36.427 1.00 11.40 H new ATOM 816 N PRO A 51 -22.869 29.661 -34.252 1.00 10.48 N ATOM 817 CA PRO A 51 -22.798 30.551 -33.100 1.00 10.66 C ATOM 818 C PRO A 51 -21.652 30.179 -32.159 1.00 10.49 C ATOM 819 O PRO A 51 -20.565 30.757 -32.245 1.00 10.76 O ATOM 820 CB PRO A 51 -24.160 30.378 -32.406 1.00 11.11 C ATOM 821 CG PRO A 51 -24.998 29.578 -33.351 1.00 11.13 C ATOM 822 CD PRO A 51 -24.041 28.782 -34.186 1.00 10.75 C ATOM 0 HA PRO A 51 -22.601 31.582 -33.395 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -24.050 29.865 -31.450 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -24.619 31.345 -32.198 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -25.679 28.923 -32.808 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -25.611 30.229 -33.975 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -23.803 27.823 -33.727 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -24.445 28.570 -35.176 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.314 7.253 -8.439 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.466 6.203 -7.927 1.00 10.44 C ATOM 1138 C GLY A 74 -2.127 6.736 -7.468 1.00 10.53 C ATOM 1139 O GLY A 74 -1.348 7.242 -8.274 1.00 10.94 O ATOM 0 HA2 GLY A 74 -3.964 5.707 -7.094 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -3.312 5.451 -8.700 1.00 10.44 H new ATOM 1143 N ALA A 75 -1.853 6.615 -6.179 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.605 7.106 -5.621 1.00 10.45 C ATOM 1145 C ALA A 75 0.355 5.943 -5.413 1.00 10.02 C ATOM 1146 O ALA A 75 0.189 5.143 -4.490 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.875 7.825 -4.303 1.00 10.74 C ATOM 0 H ALA A 75 -2.478 6.181 -5.500 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.150 7.814 -6.313 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.065 8.191 -3.889 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.546 8.666 -4.478 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.336 7.133 -3.599 1.00 10.74 H new ATOM 1153 N LYS A 76 1.347 5.842 -6.292 1.00 10.22 N ATOM 1154 CA LYS A 76 2.249 4.705 -6.295 1.00 9.99 C ATOM 1155 C LYS A 76 3.597 5.043 -5.671 1.00 10.09 C ATOM 1156 O LYS A 76 4.300 5.953 -6.117 1.00 10.63 O ATOM 1157 CB LYS A 76 2.459 4.208 -7.725 1.00 10.41 C ATOM 1158 CG LYS A 76 1.951 5.163 -8.794 1.00 10.50 C ATOM 1159 CD LYS A 76 2.711 4.992 -10.096 1.00 11.20 C ATOM 1160 CE LYS A 76 2.006 5.693 -11.245 1.00 11.56 C ATOM 1161 NZ LYS A 76 1.264 4.735 -12.102 1.00 11.62 N ATOM 0 H LYS A 76 1.544 6.538 -7.011 1.00 10.22 H new ATOM 0 HA LYS A 76 1.788 3.923 -5.692 1.00 9.99 H new ATOM 0 HB2 LYS A 76 3.523 4.033 -7.885 1.00 10.41 H new ATOM 0 HB3 LYS A 76 1.957 3.248 -7.842 1.00 10.41 H new ATOM 0 HG2 LYS A 76 0.889 4.988 -8.965 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.052 6.190 -8.444 1.00 10.50 H new ATOM 0 HD2 LYS A 76 3.719 5.393 -9.986 1.00 11.20 H new ATOM 0 HD3 LYS A 76 2.813 3.931 -10.323 1.00 11.20 H new ATOM 0 HE2 LYS A 76 1.315 6.437 -10.848 1.00 11.56 H new ATOM 0 HE3 LYS A 76 2.739 6.229 -11.849 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 0.796 5.251 -12.875 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 1.927 4.040 -12.501 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 0.548 4.242 -11.532 1.00 11.62 H new ATOM 1175 N LEU A 77 3.931 4.306 -4.626 1.00 9.69 N ATOM 1176 CA LEU A 77 5.204 4.434 -3.943 1.00 9.77 C ATOM 1177 C LEU A 77 6.107 3.259 -4.310 1.00 9.68 C ATOM 1178 O LEU A 77 5.736 2.100 -4.127 1.00 9.42 O ATOM 1179 CB LEU A 77 4.938 4.475 -2.425 1.00 9.58 C ATOM 1180 CG LEU A 77 6.146 4.397 -1.472 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.622 2.969 -1.293 1.00 9.26 C ATOM 1182 CD2 LEU A 77 7.285 5.286 -1.941 1.00 10.17 C ATOM 0 H LEU A 77 3.319 3.595 -4.225 1.00 9.69 H new ATOM 0 HA LEU A 77 5.710 5.351 -4.245 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.400 5.397 -2.206 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.268 3.650 -2.182 1.00 9.58 H new ATOM 0 HG LEU A 77 5.811 4.764 -0.502 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.475 2.952 -0.615 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.815 2.366 -0.876 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.919 2.561 -2.259 1.00 9.26 H new ATOM 0 HD21 LEU A 77 8.120 5.206 -1.245 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.608 4.970 -2.933 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.945 6.321 -1.982 1.00 10.17 H new ATOM 1194 N LEU A 78 7.276 3.564 -4.849 1.00 10.10 N ATOM 1195 CA LEU A 78 8.274 2.549 -5.141 1.00 10.21 C ATOM 1196 C LEU A 78 9.460 2.679 -4.193 1.00 10.19 C ATOM 1197 O LEU A 78 10.238 3.624 -4.294 1.00 10.62 O ATOM 1198 CB LEU A 78 8.756 2.676 -6.588 1.00 10.97 C ATOM 1199 CG LEU A 78 7.661 2.945 -7.623 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.269 3.420 -8.933 1.00 11.63 C ATOM 1201 CD2 LEU A 78 6.820 1.696 -7.844 1.00 10.95 C ATOM 0 H LEU A 78 7.558 4.513 -5.094 1.00 10.10 H new ATOM 0 HA LEU A 78 7.815 1.570 -5.003 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.488 3.482 -6.640 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.274 1.757 -6.863 1.00 10.97 H new ATOM 0 HG LEU A 78 7.012 3.734 -7.242 1.00 11.03 H new ATOM 0 HD11 LEU A 78 7.475 3.606 -9.656 1.00 11.63 H new ATOM 0 HD12 LEU A 78 8.827 4.340 -8.762 1.00 11.63 H new ATOM 0 HD13 LEU A 78 8.941 2.655 -9.321 1.00 11.63 H new ATOM 0 HD21 LEU A 78 6.046 1.904 -8.583 1.00 10.95 H new ATOM 0 HD22 LEU A 78 7.457 0.888 -8.204 1.00 10.95 H new ATOM 0 HD23 LEU A 78 6.354 1.400 -6.904 1.00 10.95 H new ATOM 1213 N VAL A 79 9.583 1.746 -3.263 1.00 9.81 N ATOM 1214 CA VAL A 79 10.719 1.735 -2.345 1.00 9.81 C ATOM 1215 C VAL A 79 11.762 0.719 -2.780 1.00 10.08 C ATOM 1216 O VAL A 79 11.508 -0.107 -3.651 1.00 10.09 O ATOM 1217 CB VAL A 79 10.307 1.406 -0.894 1.00 9.37 C ATOM 1218 CG1 VAL A 79 10.113 2.673 -0.082 1.00 9.42 C ATOM 1219 CG2 VAL A 79 9.052 0.560 -0.868 1.00 9.16 C ATOM 0 H VAL A 79 8.915 0.988 -3.121 1.00 9.81 H new ATOM 0 HA VAL A 79 11.132 2.743 -2.374 1.00 9.81 H new ATOM 0 HB VAL A 79 11.115 0.833 -0.440 1.00 9.37 H new ATOM 0 HG11 VAL A 79 9.823 2.412 0.936 1.00 9.42 H new ATOM 0 HG12 VAL A 79 11.045 3.238 -0.060 1.00 9.42 H new ATOM 0 HG13 VAL A 79 9.331 3.281 -0.537 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.782 0.341 0.165 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.238 1.102 -1.349 1.00 9.16 H new ATOM 0 HG23 VAL A 79 9.231 -0.373 -1.401 1.00 9.16 H new ATOM 1229 N SER A 80 12.933 0.802 -2.171 1.00 10.48 N ATOM 1230 CA SER A 80 14.041 -0.093 -2.467 1.00 10.87 C ATOM 1231 C SER A 80 14.952 -0.154 -1.247 1.00 10.93 C ATOM 1232 O SER A 80 15.549 0.854 -0.850 1.00 11.28 O ATOM 1233 CB SER A 80 14.821 0.368 -3.706 1.00 11.70 C ATOM 1234 OG SER A 80 13.967 0.493 -4.832 1.00 11.92 O ATOM 0 H SER A 80 13.144 1.496 -1.453 1.00 10.48 H new ATOM 0 HA SER A 80 13.650 -1.086 -2.690 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.301 1.325 -3.502 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.615 -0.346 -3.926 1.00 11.70 H new ATOM 0 HG SER A 80 14.489 0.789 -5.607 1.00 11.92 H new ATOM 1240 N ASN A 81 15.030 -1.337 -0.646 1.00 10.71 N ATOM 1241 CA ASN A 81 15.716 -1.509 0.630 1.00 10.82 C ATOM 1242 C ASN A 81 17.081 -2.169 0.452 1.00 11.07 C ATOM 1243 O ASN A 81 17.814 -2.363 1.426 1.00 11.33 O ATOM 1244 CB ASN A 81 14.840 -2.332 1.590 1.00 10.85 C ATOM 1245 CG ASN A 81 14.917 -3.834 1.351 1.00 11.09 C ATOM 1246 OD1 ASN A 81 15.606 -4.554 2.071 1.00 11.13 O ATOM 1247 ND2 ASN A 81 14.194 -4.325 0.357 1.00 11.43 N ATOM 0 H ASN A 81 14.625 -2.194 -1.024 1.00 10.71 H new ATOM 0 HA ASN A 81 15.885 -0.521 1.057 1.00 10.82 H new ATOM 0 HB2 ASN A 81 15.142 -2.120 2.616 1.00 10.85 H new ATOM 0 HB3 ASN A 81 13.804 -2.009 1.490 1.00 10.85 H new ATOM 0 HD21 ASN A 81 14.198 -5.328 0.170 1.00 11.43 H new ATOM 0 HD22 ASN A 81 13.633 -3.701 -0.222 1.00 11.43 H new ATOM 1254 N LEU A 82 17.407 -2.497 -0.796 1.00 11.17 N ATOM 1255 CA LEU A 82 18.675 -3.135 -1.153 1.00 11.63 C ATOM 1256 C LEU A 82 18.788 -4.518 -0.516 1.00 11.86 C ATOM 1257 O LEU A 82 18.387 -5.517 -1.115 1.00 12.01 O ATOM 1258 CB LEU A 82 19.866 -2.251 -0.759 1.00 12.01 C ATOM 1259 CG LEU A 82 20.700 -1.722 -1.932 1.00 12.36 C ATOM 1260 CD1 LEU A 82 19.803 -1.128 -3.009 1.00 12.48 C ATOM 1261 CD2 LEU A 82 21.703 -0.688 -1.446 1.00 12.61 C ATOM 0 H LEU A 82 16.796 -2.327 -1.595 1.00 11.17 H new ATOM 0 HA LEU A 82 18.694 -3.260 -2.236 1.00 11.63 H new ATOM 0 HB2 LEU A 82 19.494 -1.402 -0.186 1.00 12.01 H new ATOM 0 HB3 LEU A 82 20.518 -2.821 -0.098 1.00 12.01 H new ATOM 0 HG LEU A 82 21.246 -2.559 -2.367 1.00 12.36 H new ATOM 0 HD11 LEU A 82 20.417 -0.759 -3.831 1.00 12.48 H new ATOM 0 HD12 LEU A 82 19.123 -1.895 -3.380 1.00 12.48 H new ATOM 0 HD13 LEU A 82 19.226 -0.304 -2.589 1.00 12.48 H new ATOM 0 HD21 LEU A 82 22.287 -0.323 -2.291 1.00 12.61 H new ATOM 0 HD22 LEU A 82 21.172 0.145 -0.984 1.00 12.61 H new ATOM 0 HD23 LEU A 82 22.370 -1.144 -0.714 1.00 12.61 H new ATOM 1273 N ASP A 83 19.321 -4.570 0.696 1.00 12.07 N ATOM 1274 CA ASP A 83 19.441 -5.823 1.428 1.00 12.45 C ATOM 1275 C ASP A 83 19.191 -5.589 2.912 1.00 12.57 C ATOM 1276 O ASP A 83 19.993 -5.971 3.763 1.00 13.12 O ATOM 1277 CB ASP A 83 20.821 -6.449 1.214 1.00 12.62 C ATOM 1278 CG ASP A 83 20.792 -7.960 1.346 1.00 13.10 C ATOM 1279 OD1 ASP A 83 19.684 -8.536 1.424 1.00 13.12 O ATOM 1280 OD2 ASP A 83 21.876 -8.579 1.376 1.00 13.59 O ATOM 0 H ASP A 83 19.679 -3.756 1.195 1.00 12.07 H new ATOM 0 HA ASP A 83 18.691 -6.516 1.048 1.00 12.45 H new ATOM 0 HB2 ASP A 83 21.191 -6.180 0.225 1.00 12.62 H new ATOM 0 HB3 ASP A 83 21.522 -6.036 1.940 1.00 12.62 H new ATOM 1285 N PHE A 84 18.075 -4.939 3.209 1.00 12.22 N ATOM 1286 CA PHE A 84 17.700 -4.634 4.584 1.00 12.46 C ATOM 1287 C PHE A 84 16.801 -5.727 5.152 1.00 12.41 C ATOM 1288 O PHE A 84 16.763 -5.947 6.361 1.00 12.73 O ATOM 1289 CB PHE A 84 16.979 -3.287 4.649 1.00 12.51 C ATOM 1290 CG PHE A 84 17.615 -2.302 5.583 1.00 12.50 C ATOM 1291 CD1 PHE A 84 18.930 -1.905 5.399 1.00 12.69 C ATOM 1292 CD2 PHE A 84 16.904 -1.776 6.648 1.00 12.45 C ATOM 1293 CE1 PHE A 84 19.522 -1.002 6.261 1.00 12.83 C ATOM 1294 CE2 PHE A 84 17.490 -0.872 7.511 1.00 12.59 C ATOM 1295 CZ PHE A 84 18.787 -0.467 7.309 1.00 12.79 C ATOM 0 H PHE A 84 17.408 -4.610 2.511 1.00 12.22 H new ATOM 0 HA PHE A 84 18.610 -4.583 5.182 1.00 12.46 H new ATOM 0 HB2 PHE A 84 16.946 -2.855 3.649 1.00 12.51 H new ATOM 0 HB3 PHE A 84 15.947 -3.453 4.959 1.00 12.51 H new ATOM 0 HD1 PHE A 84 19.498 -2.306 4.573 1.00 12.69 H new ATOM 0 HD2 PHE A 84 15.879 -2.076 6.806 1.00 12.45 H new ATOM 0 HE1 PHE A 84 20.553 -0.714 6.120 1.00 12.83 H new ATOM 0 HE2 PHE A 84 16.928 -0.482 8.347 1.00 12.59 H new ATOM 0 HZ PHE A 84 19.233 0.266 7.964 1.00 12.79 H new ATOM 1305 N GLY A 85 16.076 -6.403 4.270 1.00 12.18 N ATOM 1306 CA GLY A 85 15.197 -7.477 4.695 1.00 12.33 C ATOM 1307 C GLY A 85 13.760 -7.022 4.861 1.00 12.00 C ATOM 1308 O GLY A 85 12.986 -7.638 5.595 1.00 12.39 O ATOM 0 H GLY A 85 16.081 -6.227 3.265 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.237 -8.285 3.964 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.557 -7.884 5.640 1.00 12.33 H new ATOM 1312 N VAL A 86 13.402 -5.946 4.174 1.00 11.43 N ATOM 1313 CA VAL A 86 12.051 -5.407 4.254 1.00 11.18 C ATOM 1314 C VAL A 86 11.105 -6.194 3.353 1.00 11.50 C ATOM 1315 O VAL A 86 11.248 -6.193 2.129 1.00 11.42 O ATOM 1316 CB VAL A 86 12.013 -3.911 3.864 1.00 10.44 C ATOM 1317 CG1 VAL A 86 10.597 -3.362 3.948 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.952 -3.106 4.752 1.00 10.15 C ATOM 0 H VAL A 86 14.027 -5.429 3.556 1.00 11.43 H new ATOM 0 HA VAL A 86 11.725 -5.501 5.290 1.00 11.18 H new ATOM 0 HB VAL A 86 12.349 -3.821 2.831 1.00 10.44 H new ATOM 0 HG11 VAL A 86 10.598 -2.308 3.669 1.00 10.36 H new ATOM 0 HG12 VAL A 86 9.951 -3.917 3.268 1.00 10.36 H new ATOM 0 HG13 VAL A 86 10.226 -3.467 4.968 1.00 10.36 H new ATOM 0 HG21 VAL A 86 12.913 -2.055 4.464 1.00 10.15 H new ATOM 0 HG22 VAL A 86 12.646 -3.209 5.793 1.00 10.15 H new ATOM 0 HG23 VAL A 86 13.970 -3.477 4.635 1.00 10.15 H new ATOM 1328 N SER A 87 10.157 -6.885 3.968 1.00 12.04 N ATOM 1329 CA SER A 87 9.190 -7.685 3.234 1.00 12.55 C ATOM 1330 C SER A 87 8.005 -6.842 2.765 1.00 12.18 C ATOM 1331 O SER A 87 7.908 -5.650 3.073 1.00 11.57 O ATOM 1332 CB SER A 87 8.701 -8.841 4.109 1.00 13.39 C ATOM 1333 OG SER A 87 9.704 -9.239 5.034 1.00 13.46 O ATOM 0 H SER A 87 10.037 -6.907 4.981 1.00 12.04 H new ATOM 0 HA SER A 87 9.685 -8.084 2.348 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.803 -8.539 4.648 1.00 13.39 H new ATOM 0 HB3 SER A 87 8.425 -9.687 3.479 1.00 13.39 H new ATOM 0 HG SER A 87 9.746 -8.593 5.770 1.00 13.46 H new ATOM 1339 N ASP A 88 7.111 -7.483 2.027 1.00 12.66 N ATOM 1340 CA ASP A 88 5.931 -6.818 1.481 1.00 12.44 C ATOM 1341 C ASP A 88 5.020 -6.313 2.593 1.00 12.35 C ATOM 1342 O ASP A 88 4.564 -5.172 2.563 1.00 11.82 O ATOM 1343 CB ASP A 88 5.160 -7.741 0.522 1.00 13.21 C ATOM 1344 CG ASP A 88 4.686 -9.053 1.136 1.00 13.68 C ATOM 1345 OD1 ASP A 88 5.123 -9.362 2.264 1.00 13.63 O ATOM 1346 OD2 ASP A 88 3.859 -9.759 0.522 1.00 14.23 O ATOM 0 H ASP A 88 7.179 -8.473 1.789 1.00 12.66 H new ATOM 0 HA ASP A 88 6.277 -5.957 0.910 1.00 12.44 H new ATOM 0 HB2 ASP A 88 4.293 -7.201 0.140 1.00 13.21 H new ATOM 0 HB3 ASP A 88 5.797 -7.966 -0.333 1.00 13.21 H new ATOM 1351 N ALA A 89 4.780 -7.156 3.579 1.00 13.02 N ATOM 1352 CA ALA A 89 3.957 -6.778 4.718 1.00 13.24 C ATOM 1353 C ALA A 89 4.742 -5.902 5.690 1.00 12.75 C ATOM 1354 O ALA A 89 4.158 -5.122 6.439 1.00 12.82 O ATOM 1355 CB ALA A 89 3.419 -8.014 5.416 1.00 14.29 C ATOM 0 H ALA A 89 5.142 -8.109 3.617 1.00 13.02 H new ATOM 0 HA ALA A 89 3.112 -6.196 4.352 1.00 13.24 H new ATOM 0 HB1 ALA A 89 2.806 -7.714 6.266 1.00 14.29 H new ATOM 0 HB2 ALA A 89 2.814 -8.592 4.718 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.251 -8.625 5.767 1.00 14.29 H new ATOM 1361 N ASP A 90 6.065 -6.035 5.669 1.00 12.38 N ATOM 1362 CA ASP A 90 6.935 -5.191 6.488 1.00 12.03 C ATOM 1363 C ASP A 90 6.700 -3.728 6.150 1.00 11.35 C ATOM 1364 O ASP A 90 6.309 -2.932 7.004 1.00 11.52 O ATOM 1365 CB ASP A 90 8.411 -5.522 6.259 1.00 11.82 C ATOM 1366 CG ASP A 90 8.869 -6.782 6.964 1.00 12.43 C ATOM 1367 OD1 ASP A 90 8.091 -7.361 7.746 1.00 12.67 O ATOM 1368 OD2 ASP A 90 10.010 -7.216 6.711 1.00 12.76 O ATOM 0 H ASP A 90 6.560 -6.718 5.095 1.00 12.38 H new ATOM 0 HA ASP A 90 6.693 -5.381 7.534 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.588 -5.630 5.189 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.019 -4.684 6.600 1.00 11.82 H new ATOM 1373 N ILE A 91 6.935 -3.382 4.887 1.00 10.74 N ATOM 1374 CA ILE A 91 6.706 -2.026 4.408 1.00 10.19 C ATOM 1375 C ILE A 91 5.224 -1.648 4.497 1.00 10.43 C ATOM 1376 O ILE A 91 4.884 -0.470 4.610 1.00 10.36 O ATOM 1377 CB ILE A 91 7.228 -1.843 2.961 1.00 9.70 C ATOM 1378 CG1 ILE A 91 7.451 -0.360 2.657 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.278 -2.460 1.942 1.00 9.94 C ATOM 1380 CD1 ILE A 91 8.763 0.176 3.185 1.00 9.17 C ATOM 0 H ILE A 91 7.285 -4.025 4.177 1.00 10.74 H new ATOM 0 HA ILE A 91 7.267 -1.354 5.057 1.00 10.19 H new ATOM 0 HB ILE A 91 8.182 -2.365 2.883 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.415 -0.209 1.578 1.00 9.11 H new ATOM 0 HG13 ILE A 91 6.633 0.217 3.087 1.00 9.11 H new ATOM 0 HG21 ILE A 91 6.676 -2.313 0.938 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.176 -3.527 2.139 1.00 9.94 H new ATOM 0 HG23 ILE A 91 5.301 -1.982 2.019 1.00 9.94 H new ATOM 0 HD11 ILE A 91 8.852 1.233 2.932 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.795 0.058 4.268 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.589 -0.376 2.735 1.00 9.17 H new ATOM 1392 N GLN A 92 4.349 -2.650 4.463 1.00 10.89 N ATOM 1393 CA GLN A 92 2.920 -2.419 4.617 1.00 11.26 C ATOM 1394 C GLN A 92 2.610 -1.939 6.030 1.00 11.84 C ATOM 1395 O GLN A 92 1.947 -0.921 6.216 1.00 11.95 O ATOM 1396 CB GLN A 92 2.130 -3.690 4.317 1.00 11.85 C ATOM 1397 CG GLN A 92 0.648 -3.443 4.095 1.00 12.25 C ATOM 1398 CD GLN A 92 0.131 -4.124 2.843 1.00 13.23 C ATOM 1399 OE1 GLN A 92 0.851 -4.873 2.188 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -1.123 -3.876 2.503 1.00 13.70 N ATOM 0 H GLN A 92 4.607 -3.628 4.330 1.00 10.89 H new ATOM 0 HA GLN A 92 2.623 -1.648 3.905 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.548 -4.167 3.431 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.254 -4.389 5.144 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.089 -3.803 4.959 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.468 -2.370 4.023 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -1.691 -3.248 3.072 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -1.522 -4.313 1.672 1.00 13.70 H new ATOM 1409 N GLU A 93 3.097 -2.681 7.018 1.00 12.34 N ATOM 1410 CA GLU A 93 2.935 -2.310 8.419 1.00 13.06 C ATOM 1411 C GLU A 93 3.600 -0.964 8.683 1.00 12.81 C ATOM 1412 O GLU A 93 3.109 -0.155 9.476 1.00 13.39 O ATOM 1413 CB GLU A 93 3.544 -3.388 9.322 1.00 13.62 C ATOM 1414 CG GLU A 93 3.355 -3.123 10.808 1.00 14.57 C ATOM 1415 CD GLU A 93 2.678 -4.273 11.528 1.00 15.36 C ATOM 1416 OE1 GLU A 93 2.071 -5.128 10.849 1.00 15.72 O ATOM 1417 OE2 GLU A 93 2.757 -4.335 12.774 1.00 15.75 O ATOM 0 H GLU A 93 3.611 -3.550 6.873 1.00 12.34 H new ATOM 0 HA GLU A 93 1.871 -2.226 8.642 1.00 13.06 H new ATOM 0 HB2 GLU A 93 3.097 -4.351 9.075 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.610 -3.467 9.109 1.00 13.62 H new ATOM 0 HG2 GLU A 93 4.326 -2.935 11.265 1.00 14.57 H new ATOM 0 HG3 GLU A 93 2.761 -2.218 10.939 1.00 14.57 H new ATOM 1424 N LEU A 94 4.708 -0.732 7.993 1.00 12.08 N ATOM 1425 CA LEU A 94 5.452 0.513 8.122 1.00 11.97 C ATOM 1426 C LEU A 94 4.616 1.691 7.631 1.00 11.94 C ATOM 1427 O LEU A 94 4.306 2.595 8.400 1.00 12.57 O ATOM 1428 CB LEU A 94 6.766 0.429 7.337 1.00 11.31 C ATOM 1429 CG LEU A 94 8.034 0.271 8.186 1.00 11.47 C ATOM 1430 CD1 LEU A 94 7.796 -0.675 9.355 1.00 11.42 C ATOM 1431 CD2 LEU A 94 9.185 -0.228 7.327 1.00 11.53 C ATOM 0 H LEU A 94 5.114 -1.396 7.333 1.00 12.08 H new ATOM 0 HA LEU A 94 5.682 0.670 9.176 1.00 11.97 H new ATOM 0 HB2 LEU A 94 6.704 -0.413 6.648 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.865 1.330 6.731 1.00 11.31 H new ATOM 0 HG LEU A 94 8.295 1.249 8.591 1.00 11.47 H new ATOM 0 HD11 LEU A 94 8.711 -0.768 9.940 1.00 11.42 H new ATOM 0 HD12 LEU A 94 7.001 -0.280 9.987 1.00 11.42 H new ATOM 0 HD13 LEU A 94 7.506 -1.655 8.977 1.00 11.42 H new ATOM 0 HD21 LEU A 94 10.078 -0.336 7.942 1.00 11.53 H new ATOM 0 HD22 LEU A 94 8.924 -1.194 6.894 1.00 11.53 H new ATOM 0 HD23 LEU A 94 9.379 0.487 6.528 1.00 11.53 H new ATOM 1443 N PHE A 95 4.283 1.683 6.343 1.00 11.31 N ATOM 1444 CA PHE A 95 3.432 2.719 5.746 1.00 11.29 C ATOM 1445 C PHE A 95 2.054 2.823 6.409 1.00 11.98 C ATOM 1446 O PHE A 95 1.401 3.856 6.310 1.00 12.28 O ATOM 1447 CB PHE A 95 3.271 2.470 4.254 1.00 10.57 C ATOM 1448 CG PHE A 95 4.258 3.227 3.423 1.00 10.24 C ATOM 1449 CD1 PHE A 95 4.048 4.562 3.124 1.00 10.59 C ATOM 1450 CD2 PHE A 95 5.392 2.603 2.938 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.956 5.260 2.354 1.00 10.56 C ATOM 1452 CE2 PHE A 95 6.301 3.295 2.168 1.00 9.76 C ATOM 1453 CZ PHE A 95 6.087 4.636 1.891 1.00 10.20 C ATOM 0 H PHE A 95 4.590 0.967 5.685 1.00 11.31 H new ATOM 0 HA PHE A 95 3.936 3.671 5.914 1.00 11.29 H new ATOM 0 HB2 PHE A 95 3.380 1.404 4.056 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.261 2.749 3.952 1.00 10.57 H new ATOM 0 HD1 PHE A 95 3.166 5.062 3.496 1.00 10.59 H new ATOM 0 HD2 PHE A 95 5.567 1.562 3.165 1.00 9.80 H new ATOM 0 HE1 PHE A 95 4.776 6.298 2.116 1.00 10.56 H new ATOM 0 HE2 PHE A 95 7.177 2.795 1.782 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.810 5.190 1.311 1.00 10.20 H new ATOM 1463 N ALA A 96 1.600 1.763 7.065 1.00 12.37 N ATOM 1464 CA ALA A 96 0.360 1.828 7.830 1.00 13.23 C ATOM 1465 C ALA A 96 0.567 2.692 9.074 1.00 14.04 C ATOM 1466 O ALA A 96 -0.236 3.563 9.392 1.00 14.68 O ATOM 1467 CB ALA A 96 -0.112 0.430 8.204 1.00 13.64 C ATOM 0 H ALA A 96 2.066 0.856 7.084 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.416 2.285 7.216 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -1.038 0.499 8.774 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.286 -0.150 7.298 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.650 -0.062 8.808 1.00 13.64 H new ATOM 1473 N GLU A 97 1.643 2.407 9.784 1.00 14.09 N ATOM 1474 CA GLU A 97 2.113 3.288 10.856 1.00 14.82 C ATOM 1475 C GLU A 97 2.358 4.696 10.297 1.00 14.74 C ATOM 1476 O GLU A 97 2.074 5.706 10.941 1.00 15.58 O ATOM 1477 CB GLU A 97 3.394 2.732 11.475 1.00 14.74 C ATOM 1478 CG GLU A 97 3.799 3.429 12.761 1.00 15.73 C ATOM 1479 CD GLU A 97 4.943 2.733 13.460 1.00 16.14 C ATOM 1480 OE1 GLU A 97 6.112 3.039 13.141 1.00 16.68 O ATOM 1481 OE2 GLU A 97 4.680 1.880 14.332 1.00 16.03 O ATOM 0 H GLU A 97 2.214 1.573 9.643 1.00 14.09 H new ATOM 0 HA GLU A 97 1.351 3.342 11.633 1.00 14.82 H new ATOM 0 HB2 GLU A 97 3.260 1.669 11.674 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.205 2.821 10.752 1.00 14.74 H new ATOM 0 HG2 GLU A 97 4.085 4.457 12.539 1.00 15.73 H new ATOM 0 HG3 GLU A 97 2.941 3.474 13.432 1.00 15.73 H new ATOM 1488 N PHE A 98 2.902 4.727 9.090 1.00 13.84 N ATOM 1489 CA PHE A 98 3.155 5.952 8.330 1.00 13.78 C ATOM 1490 C PHE A 98 1.863 6.635 7.841 1.00 14.08 C ATOM 1491 O PHE A 98 1.919 7.685 7.200 1.00 14.23 O ATOM 1492 CB PHE A 98 4.057 5.613 7.139 1.00 12.84 C ATOM 1493 CG PHE A 98 4.902 6.748 6.660 1.00 12.77 C ATOM 1494 CD1 PHE A 98 5.848 7.329 7.484 1.00 12.86 C ATOM 1495 CD2 PHE A 98 4.746 7.229 5.376 1.00 12.76 C ATOM 1496 CE1 PHE A 98 6.628 8.375 7.033 1.00 12.95 C ATOM 1497 CE2 PHE A 98 5.521 8.274 4.915 1.00 12.87 C ATOM 1498 CZ PHE A 98 6.464 8.849 5.745 1.00 12.97 C ATOM 0 H PHE A 98 3.189 3.882 8.595 1.00 13.84 H new ATOM 0 HA PHE A 98 3.644 6.663 8.996 1.00 13.78 H new ATOM 0 HB2 PHE A 98 4.708 4.784 7.417 1.00 12.84 H new ATOM 0 HB3 PHE A 98 3.434 5.267 6.314 1.00 12.84 H new ATOM 0 HD1 PHE A 98 5.978 6.961 8.491 1.00 12.86 H new ATOM 0 HD2 PHE A 98 4.009 6.783 4.725 1.00 12.76 H new ATOM 0 HE1 PHE A 98 7.364 8.822 7.685 1.00 12.95 H new ATOM 0 HE2 PHE A 98 5.391 8.641 3.908 1.00 12.87 H new ATOM 0 HZ PHE A 98 7.072 9.667 5.388 1.00 12.97 H new ATOM 1508 N GLY A 99 0.711 6.050 8.148 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.537 6.603 7.640 1.00 14.54 C ATOM 1510 C GLY A 99 -1.552 5.572 7.180 1.00 14.14 C ATOM 1511 O GLY A 99 -2.067 4.793 7.978 1.00 14.45 O ATOM 0 H GLY A 99 0.615 5.217 8.729 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -0.990 7.215 8.420 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.311 7.266 6.805 1.00 14.54 H new ATOM 1515 N THR A 100 -1.862 5.595 5.892 1.00 13.58 N ATOM 1516 CA THR A 100 -2.916 4.747 5.353 1.00 13.32 C ATOM 1517 C THR A 100 -2.475 4.049 4.072 1.00 12.31 C ATOM 1518 O THR A 100 -2.297 4.687 3.033 1.00 11.75 O ATOM 1519 CB THR A 100 -4.188 5.571 5.074 1.00 13.60 C ATOM 1520 OG1 THR A 100 -3.906 6.972 5.211 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.303 5.182 6.031 1.00 14.35 C ATOM 0 H THR A 100 -1.401 6.189 5.203 1.00 13.58 H new ATOM 0 HA THR A 100 -3.132 3.987 6.104 1.00 13.32 H new ATOM 0 HB THR A 100 -4.512 5.363 4.054 1.00 13.60 H new ATOM 0 HG1 THR A 100 -3.279 7.249 4.511 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.191 5.776 5.816 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.536 4.124 5.908 1.00 14.35 H new ATOM 0 HG23 THR A 100 -4.983 5.366 7.057 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.319 2.735 4.145 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.856 1.966 3.006 1.00 11.47 C ATOM 1531 C LEU A 101 -2.981 1.130 2.406 1.00 11.61 C ATOM 1532 O LEU A 101 -3.460 0.173 3.017 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.686 1.064 3.401 1.00 11.39 C ATOM 1534 CG LEU A 101 0.155 0.546 2.230 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.309 1.613 1.161 1.00 10.24 C ATOM 1536 CD2 LEU A 101 1.518 0.097 2.718 1.00 10.45 C ATOM 0 H LEU A 101 -2.507 2.182 4.981 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.516 2.673 2.249 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.035 1.615 4.081 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.076 0.210 3.955 1.00 11.39 H new ATOM 0 HG LEU A 101 -0.363 -0.307 1.792 1.00 10.65 H new ATOM 0 HD11 LEU A 101 0.910 1.222 0.340 1.00 10.24 H new ATOM 0 HD12 LEU A 101 -0.674 1.898 0.787 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.802 2.487 1.587 1.00 10.24 H new ATOM 0 HD21 LEU A 101 2.104 -0.268 1.875 1.00 10.45 H new ATOM 0 HD22 LEU A 101 2.034 0.938 3.181 1.00 10.45 H new ATOM 0 HD23 LEU A 101 1.397 -0.702 3.450 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.403 1.521 1.215 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.395 0.763 0.466 1.00 11.26 C ATOM 1550 C LYS A 102 -3.853 -0.631 0.152 1.00 11.16 C ATOM 1551 O LYS A 102 -4.421 -1.639 0.576 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.782 1.495 -0.821 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.012 0.921 -1.505 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.257 1.729 -1.182 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.503 0.861 -1.205 1.00 12.20 C ATOM 1556 NZ LYS A 102 -9.744 1.672 -1.116 1.00 12.64 N ATOM 0 H LYS A 102 -3.073 2.363 0.743 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.293 0.663 1.076 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.962 2.545 -0.591 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -3.942 1.460 -1.515 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -5.856 0.907 -2.584 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.156 -0.112 -1.190 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -7.150 2.188 -0.199 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -7.363 2.540 -1.903 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -8.519 0.273 -2.122 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -8.470 0.156 -0.375 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -10.518 1.177 -1.604 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -9.997 1.811 -0.117 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -9.587 2.597 -1.565 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.752 -0.686 -0.589 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.095 -1.955 -0.887 1.00 10.59 C ATOM 1572 C LYS A 103 -0.584 -1.778 -0.955 1.00 10.09 C ATOM 1573 O LYS A 103 -0.101 -0.685 -1.218 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.615 -2.534 -2.207 1.00 10.70 C ATOM 1575 CG LYS A 103 -2.673 -1.525 -3.340 1.00 10.37 C ATOM 1576 CD LYS A 103 -4.091 -1.345 -3.853 1.00 10.76 C ATOM 1577 CE LYS A 103 -4.267 -1.960 -5.231 1.00 11.04 C ATOM 1578 NZ LYS A 103 -5.699 -2.114 -5.592 1.00 12.01 N ATOM 0 H LYS A 103 -2.296 0.131 -0.994 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.328 -2.652 -0.082 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -1.975 -3.364 -2.505 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.613 -2.942 -2.046 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -2.285 -0.566 -2.995 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -2.029 -1.855 -4.155 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -4.792 -1.804 -3.156 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -4.332 -0.283 -3.894 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -3.771 -1.335 -5.973 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -3.779 -2.934 -5.258 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -5.775 -2.537 -6.539 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -6.167 -2.732 -4.899 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -6.159 -1.181 -5.592 1.00 12.01 H new ATOM 1592 N ALA A 104 0.159 -2.846 -0.690 1.00 10.38 N ATOM 1593 CA ALA A 104 1.612 -2.825 -0.832 1.00 10.01 C ATOM 1594 C ALA A 104 2.154 -4.232 -1.052 1.00 10.44 C ATOM 1595 O ALA A 104 1.555 -5.216 -0.618 1.00 10.99 O ATOM 1596 CB ALA A 104 2.278 -2.184 0.381 1.00 9.89 C ATOM 0 H ALA A 104 -0.220 -3.739 -0.375 1.00 10.38 H new ATOM 0 HA ALA A 104 1.849 -2.220 -1.707 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.359 -2.184 0.244 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.926 -1.158 0.490 1.00 9.89 H new ATOM 0 HB3 ALA A 104 2.026 -2.751 1.277 1.00 9.89 H new ATOM 1602 N ALA A 105 3.276 -4.310 -1.754 1.00 10.39 N ATOM 1603 CA ALA A 105 3.950 -5.571 -2.028 1.00 10.98 C ATOM 1604 C ALA A 105 5.357 -5.283 -2.517 1.00 10.79 C ATOM 1605 O ALA A 105 5.626 -4.179 -2.969 1.00 10.39 O ATOM 1606 CB ALA A 105 3.194 -6.367 -3.074 1.00 11.52 C ATOM 0 H ALA A 105 3.746 -3.497 -2.151 1.00 10.39 H new ATOM 0 HA ALA A 105 3.988 -6.161 -1.112 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.715 -7.305 -3.264 1.00 11.52 H new ATOM 0 HB2 ALA A 105 2.187 -6.577 -2.714 1.00 11.52 H new ATOM 0 HB3 ALA A 105 3.136 -5.791 -3.998 1.00 11.52 H new ATOM 1612 N VAL A 106 6.246 -6.260 -2.453 1.00 11.23 N ATOM 1613 CA VAL A 106 7.618 -6.036 -2.885 1.00 11.21 C ATOM 1614 C VAL A 106 7.866 -6.563 -4.287 1.00 11.93 C ATOM 1615 O VAL A 106 7.051 -7.290 -4.861 1.00 12.59 O ATOM 1616 CB VAL A 106 8.650 -6.676 -1.930 1.00 11.39 C ATOM 1617 CG1 VAL A 106 8.688 -5.937 -0.603 1.00 10.93 C ATOM 1618 CG2 VAL A 106 8.363 -8.155 -1.726 1.00 11.99 C ATOM 0 H VAL A 106 6.049 -7.201 -2.112 1.00 11.23 H new ATOM 0 HA VAL A 106 7.749 -4.954 -2.875 1.00 11.21 H new ATOM 0 HB VAL A 106 9.634 -6.591 -2.391 1.00 11.39 H new ATOM 0 HG11 VAL A 106 9.422 -6.405 0.053 1.00 10.93 H new ATOM 0 HG12 VAL A 106 8.965 -4.897 -0.774 1.00 10.93 H new ATOM 0 HG13 VAL A 106 7.704 -5.978 -0.135 1.00 10.93 H new ATOM 0 HG21 VAL A 106 9.105 -8.580 -1.050 1.00 11.99 H new ATOM 0 HG22 VAL A 106 7.369 -8.277 -1.297 1.00 11.99 H new ATOM 0 HG23 VAL A 106 8.410 -8.670 -2.685 1.00 11.99 H new ATOM 1628 N ASP A 107 8.996 -6.156 -4.829 1.00 11.95 N ATOM 1629 CA ASP A 107 9.389 -6.480 -6.181 1.00 12.77 C ATOM 1630 C ASP A 107 10.871 -6.806 -6.203 1.00 13.21 C ATOM 1631 O ASP A 107 11.593 -6.498 -5.253 1.00 12.80 O ATOM 1632 CB ASP A 107 9.098 -5.304 -7.116 1.00 12.61 C ATOM 1633 CG ASP A 107 8.649 -5.753 -8.491 1.00 13.52 C ATOM 1634 OD1 ASP A 107 7.709 -6.570 -8.580 1.00 14.12 O ATOM 1635 OD2 ASP A 107 9.237 -5.292 -9.489 1.00 13.74 O ATOM 0 H ASP A 107 9.677 -5.581 -4.332 1.00 11.95 H new ATOM 0 HA ASP A 107 8.819 -7.343 -6.525 1.00 12.77 H new ATOM 0 HB2 ASP A 107 8.326 -4.674 -6.673 1.00 12.61 H new ATOM 0 HB3 ASP A 107 9.994 -4.690 -7.212 1.00 12.61 H new ATOM 1640 N TYR A 108 11.329 -7.413 -7.277 1.00 14.11 N ATOM 1641 CA TYR A 108 12.714 -7.829 -7.383 1.00 14.67 C ATOM 1642 C TYR A 108 13.120 -7.914 -8.839 1.00 15.44 C ATOM 1643 O TYR A 108 12.312 -7.665 -9.731 1.00 15.72 O ATOM 1644 CB TYR A 108 12.943 -9.169 -6.683 1.00 15.38 C ATOM 1645 CG TYR A 108 13.710 -9.050 -5.384 1.00 14.91 C ATOM 1646 CD1 TYR A 108 15.096 -8.904 -5.376 1.00 15.00 C ATOM 1647 CD2 TYR A 108 13.048 -9.083 -4.160 1.00 14.54 C ATOM 1648 CE1 TYR A 108 15.794 -8.798 -4.190 1.00 14.74 C ATOM 1649 CE2 TYR A 108 13.743 -8.974 -2.970 1.00 14.26 C ATOM 1650 CZ TYR A 108 15.117 -8.832 -2.991 1.00 14.37 C ATOM 1651 OH TYR A 108 15.816 -8.727 -1.811 1.00 14.27 O ATOM 0 H TYR A 108 10.760 -7.631 -8.095 1.00 14.11 H new ATOM 0 HA TYR A 108 13.334 -7.084 -6.886 1.00 14.67 H new ATOM 0 HB2 TYR A 108 11.978 -9.635 -6.484 1.00 15.38 H new ATOM 0 HB3 TYR A 108 13.485 -9.833 -7.356 1.00 15.38 H new ATOM 0 HD1 TYR A 108 15.632 -8.873 -6.313 1.00 15.00 H new ATOM 0 HD2 TYR A 108 11.974 -9.196 -4.140 1.00 14.54 H new ATOM 0 HE1 TYR A 108 16.868 -8.689 -4.202 1.00 14.74 H new ATOM 0 HE2 TYR A 108 13.214 -9.000 -2.029 1.00 14.26 H new ATOM 0 HH TYR A 108 15.192 -8.767 -1.056 1.00 14.27 H new ATOM 1661 N ASP A 109 14.372 -8.260 -9.077 1.00 15.88 N ATOM 1662 CA ASP A 109 14.895 -8.325 -10.429 1.00 16.70 C ATOM 1663 C ASP A 109 14.568 -9.701 -11.016 1.00 17.75 C ATOM 1664 O ASP A 109 14.184 -10.605 -10.273 1.00 17.90 O ATOM 1665 CB ASP A 109 16.409 -8.053 -10.404 1.00 16.70 C ATOM 1666 CG ASP A 109 17.190 -8.879 -11.399 1.00 17.47 C ATOM 1667 OD1 ASP A 109 17.286 -8.463 -12.569 1.00 18.07 O ATOM 1668 OD2 ASP A 109 17.720 -9.936 -11.011 1.00 17.54 O ATOM 0 H ASP A 109 15.046 -8.501 -8.350 1.00 15.88 H new ATOM 0 HA ASP A 109 14.435 -7.566 -11.062 1.00 16.70 H new ATOM 0 HB2 ASP A 109 16.583 -6.996 -10.606 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.789 -8.252 -9.402 1.00 16.70 H new ATOM 1673 N ARG A 110 14.685 -9.848 -12.332 1.00 18.56 N ATOM 1674 CA ARG A 110 14.388 -11.111 -13.014 1.00 19.67 C ATOM 1675 C ARG A 110 15.094 -12.302 -12.356 1.00 20.06 C ATOM 1676 O ARG A 110 14.500 -13.366 -12.180 1.00 20.72 O ATOM 1677 CB ARG A 110 14.797 -11.014 -14.483 1.00 20.52 C ATOM 1678 CG ARG A 110 13.620 -11.025 -15.445 1.00 20.56 C ATOM 1679 CD ARG A 110 13.648 -12.248 -16.346 1.00 20.89 C ATOM 1680 NE ARG A 110 13.322 -13.474 -15.617 1.00 21.05 N ATOM 1681 CZ ARG A 110 14.207 -14.423 -15.318 1.00 21.24 C ATOM 1682 NH1 ARG A 110 15.475 -14.299 -15.694 1.00 21.27 N ATOM 1683 NH2 ARG A 110 13.823 -15.500 -14.646 1.00 21.49 N ATOM 0 H ARG A 110 14.987 -9.101 -12.957 1.00 18.56 H new ATOM 0 HA ARG A 110 13.314 -11.282 -12.937 1.00 19.67 H new ATOM 0 HB2 ARG A 110 15.369 -10.098 -14.632 1.00 20.52 H new ATOM 0 HB3 ARG A 110 15.459 -11.846 -14.723 1.00 20.52 H new ATOM 0 HG2 ARG A 110 12.688 -11.009 -14.881 1.00 20.56 H new ATOM 0 HG3 ARG A 110 13.639 -10.122 -16.055 1.00 20.56 H new ATOM 0 HD2 ARG A 110 12.939 -12.113 -17.163 1.00 20.89 H new ATOM 0 HD3 ARG A 110 14.637 -12.345 -16.795 1.00 20.89 H new ATOM 0 HE ARG A 110 12.356 -13.610 -15.319 1.00 21.05 H new ATOM 0 HH11 ARG A 110 15.774 -13.474 -16.214 1.00 21.27 H new ATOM 0 HH12 ARG A 110 16.149 -15.029 -15.463 1.00 21.27 H new ATOM 0 HH21 ARG A 110 12.850 -15.601 -14.358 1.00 21.49 H new ATOM 0 HH22 ARG A 110 14.501 -16.227 -14.417 1.00 21.49 H new ATOM 1697 N SER A 111 16.355 -12.120 -11.992 1.00 19.71 N ATOM 1698 CA SER A 111 17.129 -13.181 -11.356 1.00 20.09 C ATOM 1699 C SER A 111 17.072 -13.066 -9.831 1.00 19.34 C ATOM 1700 O SER A 111 17.709 -13.844 -9.115 1.00 19.58 O ATOM 1701 CB SER A 111 18.582 -13.120 -11.828 1.00 20.36 C ATOM 1702 OG SER A 111 18.880 -11.855 -12.401 1.00 20.33 O ATOM 0 H SER A 111 16.866 -11.247 -12.125 1.00 19.71 H new ATOM 0 HA SER A 111 16.694 -14.138 -11.642 1.00 20.09 H new ATOM 0 HB2 SER A 111 19.249 -13.308 -10.987 1.00 20.36 H new ATOM 0 HB3 SER A 111 18.763 -13.906 -12.561 1.00 20.36 H new ATOM 0 HG SER A 111 18.808 -11.160 -11.714 1.00 20.33 H new ATOM 1708 N GLY A 112 16.296 -12.105 -9.345 1.00 18.52 N ATOM 1709 CA GLY A 112 16.241 -11.836 -7.923 1.00 17.87 C ATOM 1710 C GLY A 112 17.577 -11.353 -7.399 1.00 17.53 C ATOM 1711 O GLY A 112 18.062 -11.843 -6.383 1.00 17.59 O ATOM 0 H GLY A 112 15.701 -11.504 -9.915 1.00 18.52 H new ATOM 0 HA2 GLY A 112 15.477 -11.085 -7.723 1.00 17.87 H new ATOM 0 HA3 GLY A 112 15.946 -12.741 -7.391 1.00 17.87 H new ATOM 1715 N ARG A 113 18.164 -10.396 -8.114 1.00 17.30 N ATOM 1716 CA ARG A 113 19.507 -9.897 -7.816 1.00 17.14 C ATOM 1717 C ARG A 113 19.613 -9.304 -6.412 1.00 16.20 C ATOM 1718 O ARG A 113 19.846 -10.019 -5.437 1.00 16.37 O ATOM 1719 CB ARG A 113 19.913 -8.846 -8.851 1.00 17.48 C ATOM 1720 CG ARG A 113 20.610 -9.436 -10.060 1.00 18.02 C ATOM 1721 CD ARG A 113 21.843 -8.637 -10.442 1.00 18.53 C ATOM 1722 NE ARG A 113 22.928 -8.829 -9.486 1.00 18.76 N ATOM 1723 CZ ARG A 113 23.468 -7.847 -8.769 1.00 19.39 C ATOM 1724 NH1 ARG A 113 23.056 -6.594 -8.941 1.00 19.85 N ATOM 1725 NH2 ARG A 113 24.421 -8.115 -7.887 1.00 19.68 N ATOM 0 H ARG A 113 17.724 -9.944 -8.916 1.00 17.30 H new ATOM 0 HA ARG A 113 20.184 -10.750 -7.861 1.00 17.14 H new ATOM 0 HB2 ARG A 113 19.024 -8.307 -9.179 1.00 17.48 H new ATOM 0 HB3 ARG A 113 20.572 -8.117 -8.380 1.00 17.48 H new ATOM 0 HG2 ARG A 113 20.895 -10.467 -9.849 1.00 18.02 H new ATOM 0 HG3 ARG A 113 19.918 -9.463 -10.902 1.00 18.02 H new ATOM 0 HD2 ARG A 113 22.177 -8.936 -11.436 1.00 18.53 H new ATOM 0 HD3 ARG A 113 21.588 -7.579 -10.496 1.00 18.53 H new ATOM 0 HE ARG A 113 23.295 -9.772 -9.360 1.00 18.76 H new ATOM 0 HH11 ARG A 113 22.326 -6.386 -9.623 1.00 19.85 H new ATOM 0 HH12 ARG A 113 23.470 -5.841 -8.391 1.00 19.85 H new ATOM 0 HH21 ARG A 113 24.741 -9.075 -7.758 1.00 19.68 H new ATOM 0 HH22 ARG A 113 24.834 -7.361 -7.338 1.00 19.68 H new ATOM 1739 N SER A 114 19.428 -7.993 -6.317 1.00 15.31 N ATOM 1740 CA SER A 114 19.624 -7.282 -5.057 1.00 14.46 C ATOM 1741 C SER A 114 19.165 -5.834 -5.178 1.00 13.60 C ATOM 1742 O SER A 114 19.893 -4.979 -5.681 1.00 13.37 O ATOM 1743 CB SER A 114 21.099 -7.320 -4.628 1.00 14.66 C ATOM 1744 OG SER A 114 21.945 -7.706 -5.704 1.00 15.43 O ATOM 0 H SER A 114 19.143 -7.400 -7.096 1.00 15.31 H new ATOM 0 HA SER A 114 19.024 -7.784 -4.298 1.00 14.46 H new ATOM 0 HB2 SER A 114 21.398 -6.338 -4.263 1.00 14.66 H new ATOM 0 HB3 SER A 114 21.220 -8.018 -3.800 1.00 14.66 H new ATOM 0 HG SER A 114 22.876 -7.719 -5.399 1.00 15.43 H new ATOM 1750 N LEU A 115 17.949 -5.570 -4.728 1.00 13.29 N ATOM 1751 CA LEU A 115 17.387 -4.226 -4.763 1.00 12.67 C ATOM 1752 C LEU A 115 16.209 -4.141 -3.805 1.00 11.82 C ATOM 1753 O LEU A 115 16.111 -3.218 -3.000 1.00 11.50 O ATOM 1754 CB LEU A 115 16.939 -3.853 -6.183 1.00 13.13 C ATOM 1755 CG LEU A 115 16.512 -5.027 -7.069 1.00 13.71 C ATOM 1756 CD1 LEU A 115 15.008 -5.015 -7.278 1.00 13.79 C ATOM 1757 CD2 LEU A 115 17.238 -4.976 -8.405 1.00 14.34 C ATOM 0 H LEU A 115 17.327 -6.274 -4.331 1.00 13.29 H new ATOM 0 HA LEU A 115 18.158 -3.520 -4.456 1.00 12.67 H new ATOM 0 HB2 LEU A 115 16.106 -3.153 -6.111 1.00 13.13 H new ATOM 0 HB3 LEU A 115 17.756 -3.326 -6.676 1.00 13.13 H new ATOM 0 HG LEU A 115 16.782 -5.956 -6.566 1.00 13.71 H new ATOM 0 HD11 LEU A 115 14.722 -5.856 -7.910 1.00 13.79 H new ATOM 0 HD12 LEU A 115 14.506 -5.098 -6.314 1.00 13.79 H new ATOM 0 HD13 LEU A 115 14.715 -4.082 -7.760 1.00 13.79 H new ATOM 0 HD21 LEU A 115 16.923 -5.817 -9.023 1.00 14.34 H new ATOM 0 HD22 LEU A 115 16.998 -4.042 -8.914 1.00 14.34 H new ATOM 0 HD23 LEU A 115 18.314 -5.032 -8.237 1.00 14.34 H new ATOM 1769 N GLY A 116 15.304 -5.098 -3.930 1.00 11.63 N ATOM 1770 CA GLY A 116 14.208 -5.210 -2.994 1.00 10.96 C ATOM 1771 C GLY A 116 13.249 -4.050 -3.112 1.00 10.62 C ATOM 1772 O GLY A 116 13.080 -3.274 -2.169 1.00 10.23 O ATOM 0 H GLY A 116 15.310 -5.803 -4.667 1.00 11.63 H new ATOM 0 HA2 GLY A 116 13.673 -6.143 -3.171 1.00 10.96 H new ATOM 0 HA3 GLY A 116 14.601 -5.255 -1.978 1.00 10.96 H new ATOM 1776 N THR A 117 12.645 -3.919 -4.281 1.00 10.92 N ATOM 1777 CA THR A 117 11.676 -2.874 -4.526 1.00 10.75 C ATOM 1778 C THR A 117 10.370 -3.203 -3.822 1.00 10.46 C ATOM 1779 O THR A 117 10.177 -4.326 -3.363 1.00 10.80 O ATOM 1780 CB THR A 117 11.408 -2.718 -6.036 1.00 11.45 C ATOM 1781 OG1 THR A 117 12.183 -3.673 -6.772 1.00 12.11 O ATOM 1782 CG2 THR A 117 11.748 -1.315 -6.514 1.00 11.71 C ATOM 0 H THR A 117 12.813 -4.531 -5.079 1.00 10.92 H new ATOM 0 HA THR A 117 12.081 -1.939 -4.139 1.00 10.75 H new ATOM 0 HB THR A 117 10.346 -2.894 -6.208 1.00 11.45 H new ATOM 0 HG1 THR A 117 12.006 -3.569 -7.730 1.00 12.11 H new ATOM 0 HG21 THR A 117 11.548 -1.236 -7.583 1.00 11.71 H new ATOM 0 HG22 THR A 117 11.137 -0.590 -5.976 1.00 11.71 H new ATOM 0 HG23 THR A 117 12.802 -1.112 -6.326 1.00 11.71 H new ATOM 1790 N ALA A 118 9.492 -2.226 -3.706 1.00 9.99 N ATOM 1791 CA ALA A 118 8.144 -2.477 -3.234 1.00 9.78 C ATOM 1792 C ALA A 118 7.201 -1.415 -3.750 1.00 9.60 C ATOM 1793 O ALA A 118 7.533 -0.232 -3.775 1.00 9.55 O ATOM 1794 CB ALA A 118 8.071 -2.554 -1.714 1.00 9.47 C ATOM 0 H ALA A 118 9.688 -1.251 -3.932 1.00 9.99 H new ATOM 0 HA ALA A 118 7.841 -3.449 -3.623 1.00 9.78 H new ATOM 0 HB1 ALA A 118 7.042 -2.743 -1.408 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.710 -3.363 -1.360 1.00 9.47 H new ATOM 0 HB3 ALA A 118 8.409 -1.611 -1.285 1.00 9.47 H new ATOM 1800 N ASP A 119 6.038 -1.862 -4.168 1.00 9.67 N ATOM 1801 CA ASP A 119 5.003 -0.987 -4.667 1.00 9.53 C ATOM 1802 C ASP A 119 3.919 -0.854 -3.613 1.00 9.23 C ATOM 1803 O ASP A 119 3.171 -1.798 -3.358 1.00 9.46 O ATOM 1804 CB ASP A 119 4.418 -1.560 -5.966 1.00 10.06 C ATOM 1805 CG ASP A 119 3.230 -0.775 -6.502 1.00 10.01 C ATOM 1806 OD1 ASP A 119 2.136 -0.869 -5.908 1.00 9.84 O ATOM 1807 OD2 ASP A 119 3.392 -0.023 -7.491 1.00 10.21 O ATOM 0 H ASP A 119 5.783 -2.850 -4.171 1.00 9.67 H new ATOM 0 HA ASP A 119 5.421 -0.003 -4.881 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.199 -1.584 -6.726 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.112 -2.591 -5.792 1.00 10.06 H new ATOM 1812 N VAL A 120 3.871 0.289 -2.956 1.00 8.97 N ATOM 1813 CA VAL A 120 2.778 0.573 -2.050 1.00 8.93 C ATOM 1814 C VAL A 120 1.876 1.617 -2.686 1.00 8.97 C ATOM 1815 O VAL A 120 2.343 2.530 -3.366 1.00 9.03 O ATOM 1816 CB VAL A 120 3.236 1.011 -0.627 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.613 0.464 -0.293 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.214 2.518 -0.455 1.00 9.06 C ATOM 0 H VAL A 120 4.569 1.029 -3.032 1.00 8.97 H new ATOM 0 HA VAL A 120 2.230 -0.356 -1.892 1.00 8.93 H new ATOM 0 HB VAL A 120 2.515 0.587 0.072 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.901 0.789 0.707 1.00 9.07 H new ATOM 0 HG12 VAL A 120 4.590 -0.625 -0.328 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.338 0.835 -1.018 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.541 2.774 0.553 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.884 2.977 -1.182 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.201 2.887 -0.612 1.00 9.06 H new ATOM 1828 N HIS A 121 0.591 1.456 -2.501 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.378 2.277 -3.183 1.00 9.24 C ATOM 1830 C HIS A 121 -1.360 2.873 -2.201 1.00 9.55 C ATOM 1831 O HIS A 121 -1.950 2.155 -1.396 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.123 1.434 -4.210 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.697 1.691 -5.623 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.223 0.913 -6.290 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.088 2.639 -6.505 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.372 1.365 -7.518 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.413 2.413 -7.678 1.00 9.93 N ATOM 0 H HIS A 121 0.188 0.757 -1.877 1.00 9.13 H new ATOM 0 HA HIS A 121 0.144 3.092 -3.685 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -0.971 0.379 -3.980 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.192 1.629 -4.121 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.713 0.111 -5.894 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -1.801 3.429 -6.320 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.027 0.948 -8.268 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.509 4.184 -2.247 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.531 4.858 -1.473 1.00 10.32 C ATOM 1848 C PHE A 122 -3.587 5.413 -2.420 1.00 10.49 C ATOM 1849 O PHE A 122 -3.290 5.709 -3.578 1.00 10.27 O ATOM 1850 CB PHE A 122 -1.937 5.992 -0.624 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.456 5.878 -0.358 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.471 6.294 -1.301 1.00 10.41 C ATOM 1853 CD2 PHE A 122 0.002 5.375 0.847 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.824 6.206 -1.047 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.355 5.288 1.107 1.00 10.36 C ATOM 1856 CZ PHE A 122 2.267 5.704 0.158 1.00 10.28 C ATOM 0 H PHE A 122 -0.932 4.804 -2.815 1.00 9.77 H new ATOM 0 HA PHE A 122 -2.982 4.137 -0.791 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.129 6.941 -1.125 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.461 6.024 0.331 1.00 10.72 H new ATOM 0 HD1 PHE A 122 0.130 6.692 -2.245 1.00 10.41 H new ATOM 0 HD2 PHE A 122 -0.707 5.047 1.593 1.00 10.52 H new ATOM 0 HE1 PHE A 122 2.536 6.530 -1.792 1.00 10.34 H new ATOM 0 HE2 PHE A 122 1.700 4.895 2.052 1.00 10.36 H new ATOM 0 HZ PHE A 122 3.326 5.636 0.359 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.816 5.530 -1.940 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.904 6.053 -2.764 1.00 11.27 C ATOM 1868 C GLU A 123 -5.840 7.576 -2.846 1.00 11.67 C ATOM 1869 O GLU A 123 -6.494 8.198 -3.687 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.260 5.612 -2.210 1.00 11.83 C ATOM 1871 CG GLU A 123 -8.362 5.587 -3.257 1.00 11.97 C ATOM 1872 CD GLU A 123 -8.856 4.188 -3.555 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -9.724 3.680 -2.816 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -8.372 3.579 -4.532 1.00 12.67 O ATOM 0 H GLU A 123 -5.087 5.273 -0.991 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.789 5.648 -3.769 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.160 4.618 -1.775 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.551 6.285 -1.403 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -9.197 6.197 -2.913 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -7.993 6.041 -4.177 1.00 11.97 H new ATOM 1881 N ARG A 124 -5.052 8.176 -1.969 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.931 9.621 -1.927 1.00 12.58 C ATOM 1883 C ARG A 124 -3.515 10.059 -2.253 1.00 12.40 C ATOM 1884 O ARG A 124 -2.543 9.459 -1.788 1.00 12.05 O ATOM 1885 CB ARG A 124 -5.328 10.146 -0.556 1.00 13.34 C ATOM 1886 CG ARG A 124 -6.691 10.821 -0.540 1.00 13.64 C ATOM 1887 CD ARG A 124 -7.738 9.945 0.126 1.00 14.19 C ATOM 1888 NE ARG A 124 -8.785 9.519 -0.805 1.00 14.36 N ATOM 1889 CZ ARG A 124 -9.668 8.554 -0.541 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -9.634 7.909 0.620 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -10.588 8.236 -1.441 1.00 15.04 N ATOM 0 H ARG A 124 -4.487 7.683 -1.277 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.603 10.035 -2.678 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -5.332 9.319 0.154 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.575 10.856 -0.215 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -6.621 11.772 -0.012 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.999 11.046 -1.561 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -7.254 9.066 0.552 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -8.192 10.491 0.953 1.00 14.19 H new ATOM 0 HE ARG A 124 -8.843 9.988 -1.709 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -8.929 8.150 1.317 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -10.312 7.173 0.814 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -10.620 8.729 -2.334 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -11.264 7.499 -1.241 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.409 11.115 -3.045 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.126 11.650 -3.468 1.00 12.90 C ATOM 1907 C ARG A 125 -1.330 12.193 -2.286 1.00 13.56 C ATOM 1908 O ARG A 125 -0.117 12.027 -2.223 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.341 12.774 -4.477 1.00 13.36 C ATOM 1910 CG ARG A 125 -2.606 12.297 -5.893 1.00 13.29 C ATOM 1911 CD ARG A 125 -3.427 13.313 -6.677 1.00 13.69 C ATOM 1912 NE ARG A 125 -3.250 14.683 -6.186 1.00 14.28 N ATOM 1913 CZ ARG A 125 -4.164 15.345 -5.470 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -5.316 14.764 -5.153 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -3.916 16.585 -5.071 1.00 15.26 N ATOM 0 H ARG A 125 -4.212 11.625 -3.413 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.562 10.836 -3.923 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -3.181 13.386 -4.149 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -1.461 13.417 -4.481 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -1.659 12.121 -6.403 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -3.134 11.344 -5.865 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -3.144 13.269 -7.729 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -4.482 13.044 -6.619 1.00 13.69 H new ATOM 0 HE ARG A 125 -2.375 15.160 -6.404 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -5.506 13.809 -5.456 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -6.011 15.273 -4.606 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -3.030 17.030 -5.311 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -4.611 17.094 -4.524 1.00 15.26 H new ATOM 1929 N ALA A 126 -2.022 12.839 -1.354 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.373 13.480 -0.214 1.00 15.01 C ATOM 1931 C ALA A 126 -0.587 12.486 0.632 1.00 14.54 C ATOM 1932 O ALA A 126 0.465 12.820 1.171 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.393 14.194 0.647 1.00 15.90 C ATOM 0 H ALA A 126 -3.038 12.933 -1.365 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.667 14.206 -0.616 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.890 14.665 1.491 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.899 14.956 0.055 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.125 13.475 1.016 1.00 15.90 H new ATOM 1939 N ASP A 127 -1.109 11.271 0.753 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.410 10.220 1.489 1.00 13.28 C ATOM 1941 C ASP A 127 0.928 9.920 0.823 1.00 12.77 C ATOM 1942 O ASP A 127 1.932 9.670 1.491 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.255 8.948 1.576 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.203 8.325 2.959 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -0.104 7.908 3.387 1.00 13.51 O ATOM 1946 OD2 ASP A 127 -2.259 8.227 3.615 1.00 13.24 O ATOM 0 H ASP A 127 -2.005 10.989 0.356 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.234 10.575 2.504 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -2.289 9.181 1.322 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.901 8.226 0.840 1.00 12.65 H new ATOM 1951 N ALA A 128 0.944 10.012 -0.499 1.00 12.51 N ATOM 1952 CA ALA A 128 2.155 9.781 -1.266 1.00 12.26 C ATOM 1953 C ALA A 128 3.022 11.036 -1.266 1.00 13.19 C ATOM 1954 O ALA A 128 4.247 10.960 -1.227 1.00 13.28 O ATOM 1955 CB ALA A 128 1.809 9.366 -2.686 1.00 11.90 C ATOM 0 H ALA A 128 0.127 10.246 -1.063 1.00 12.51 H new ATOM 0 HA ALA A 128 2.719 8.972 -0.802 1.00 12.26 H new ATOM 0 HB1 ALA A 128 2.727 9.196 -3.249 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.222 8.448 -2.664 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.230 10.156 -3.165 1.00 11.90 H new ATOM 1961 N LEU A 129 2.371 12.193 -1.305 1.00 13.95 N ATOM 1962 CA LEU A 129 3.065 13.469 -1.199 1.00 15.01 C ATOM 1963 C LEU A 129 3.844 13.516 0.110 1.00 15.35 C ATOM 1964 O LEU A 129 5.025 13.864 0.136 1.00 15.80 O ATOM 1965 CB LEU A 129 2.061 14.628 -1.269 1.00 15.79 C ATOM 1966 CG LEU A 129 2.624 16.014 -0.938 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.137 17.042 -1.947 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.227 16.431 0.470 1.00 17.74 C ATOM 0 H LEU A 129 1.360 12.272 -1.410 1.00 13.95 H new ATOM 0 HA LEU A 129 3.761 13.570 -2.031 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.638 14.658 -2.273 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.241 14.416 -0.584 1.00 15.79 H new ATOM 0 HG LEU A 129 3.711 15.962 -0.991 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.547 18.020 -1.696 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.466 16.756 -2.946 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.048 17.088 -1.923 1.00 17.52 H new ATOM 0 HD21 LEU A 129 2.636 17.418 0.686 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.140 16.464 0.547 1.00 17.74 H new ATOM 0 HD23 LEU A 129 2.620 15.710 1.187 1.00 17.74 H new ATOM 1980 N LYS A 130 3.168 13.138 1.190 1.00 15.21 N ATOM 1981 CA LYS A 130 3.794 13.052 2.500 1.00 15.60 C ATOM 1982 C LYS A 130 4.925 12.030 2.475 1.00 14.90 C ATOM 1983 O LYS A 130 5.970 12.235 3.081 1.00 15.34 O ATOM 1984 CB LYS A 130 2.748 12.674 3.556 1.00 15.68 C ATOM 1985 CG LYS A 130 3.332 12.061 4.821 1.00 15.55 C ATOM 1986 CD LYS A 130 2.776 10.665 5.078 1.00 15.23 C ATOM 1987 CE LYS A 130 1.256 10.654 5.069 1.00 15.09 C ATOM 1988 NZ LYS A 130 0.704 9.328 5.448 1.00 15.23 N ATOM 0 H LYS A 130 2.180 12.885 1.181 1.00 15.21 H new ATOM 0 HA LYS A 130 4.214 14.024 2.759 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.182 13.565 3.826 1.00 15.68 H new ATOM 0 HB3 LYS A 130 2.042 11.969 3.116 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.417 12.010 4.734 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.110 12.704 5.673 1.00 15.55 H new ATOM 0 HD2 LYS A 130 3.149 9.979 4.318 1.00 15.23 H new ATOM 0 HD3 LYS A 130 3.137 10.301 6.040 1.00 15.23 H new ATOM 0 HE2 LYS A 130 0.884 11.411 5.759 1.00 15.09 H new ATOM 0 HE3 LYS A 130 0.898 10.925 4.076 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 -0.298 9.431 5.709 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 0.787 8.674 4.643 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 1.235 8.949 6.258 1.00 15.23 H new ATOM 2002 N ALA A 131 4.712 10.936 1.754 1.00 13.87 N ATOM 2003 CA ALA A 131 5.726 9.893 1.637 1.00 13.19 C ATOM 2004 C ALA A 131 6.989 10.412 0.948 1.00 13.49 C ATOM 2005 O ALA A 131 8.099 10.079 1.352 1.00 13.49 O ATOM 2006 CB ALA A 131 5.172 8.680 0.905 1.00 12.14 C ATOM 0 H ALA A 131 3.850 10.747 1.243 1.00 13.87 H new ATOM 0 HA ALA A 131 6.002 9.589 2.646 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.946 7.916 0.830 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.320 8.281 1.455 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.853 8.973 -0.095 1.00 12.14 H new ATOM 2012 N MET A 132 6.829 11.238 -0.080 1.00 13.87 N ATOM 2013 CA MET A 132 7.973 11.800 -0.786 1.00 14.40 C ATOM 2014 C MET A 132 8.689 12.838 0.078 1.00 15.49 C ATOM 2015 O MET A 132 9.898 13.027 -0.039 1.00 16.00 O ATOM 2016 CB MET A 132 7.529 12.411 -2.126 1.00 14.59 C ATOM 2017 CG MET A 132 7.538 13.932 -2.171 1.00 15.65 C ATOM 2018 SD MET A 132 7.764 14.577 -3.839 1.00 16.00 S ATOM 2019 CE MET A 132 9.511 14.966 -3.811 1.00 15.55 C ATOM 0 H MET A 132 5.922 11.532 -0.441 1.00 13.87 H new ATOM 0 HA MET A 132 8.678 10.995 -0.994 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.181 12.035 -2.914 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.522 12.061 -2.352 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.600 14.309 -1.764 1.00 15.65 H new ATOM 0 HG3 MET A 132 8.336 14.306 -1.530 1.00 15.65 H new ATOM 0 HE1 MET A 132 9.808 15.377 -4.776 1.00 15.55 H new ATOM 0 HE2 MET A 132 9.708 15.699 -3.028 1.00 15.55 H new ATOM 0 HE3 MET A 132 10.082 14.059 -3.612 1.00 15.55 H new ATOM 2029 N LYS A 133 7.941 13.512 0.941 1.00 15.95 N ATOM 2030 CA LYS A 133 8.526 14.505 1.828 1.00 17.04 C ATOM 2031 C LYS A 133 9.175 13.846 3.038 1.00 16.95 C ATOM 2032 O LYS A 133 10.318 14.140 3.380 1.00 17.55 O ATOM 2033 CB LYS A 133 7.453 15.492 2.293 1.00 17.76 C ATOM 2034 CG LYS A 133 7.411 16.773 1.481 1.00 18.70 C ATOM 2035 CD LYS A 133 6.291 16.746 0.456 1.00 18.27 C ATOM 2036 CE LYS A 133 6.545 17.724 -0.677 1.00 18.99 C ATOM 2037 NZ LYS A 133 6.453 19.136 -0.221 1.00 19.60 N ATOM 0 H LYS A 133 6.934 13.390 1.045 1.00 15.95 H new ATOM 0 HA LYS A 133 9.296 15.040 1.273 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.478 15.007 2.241 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.630 15.741 3.339 1.00 17.76 H new ATOM 0 HG2 LYS A 133 7.274 17.624 2.149 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.366 16.915 0.975 1.00 18.70 H new ATOM 0 HD2 LYS A 133 6.191 15.739 0.052 1.00 18.27 H new ATOM 0 HD3 LYS A 133 5.346 16.989 0.942 1.00 18.27 H new ATOM 0 HE2 LYS A 133 7.534 17.542 -1.099 1.00 18.99 H new ATOM 0 HE3 LYS A 133 5.822 17.552 -1.474 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 6.633 19.772 -1.024 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 5.502 19.317 0.158 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 7.160 19.308 0.522 1.00 19.60 H new ATOM 2051 N GLN A 134 8.440 12.951 3.675 1.00 16.27 N ATOM 2052 CA GLN A 134 8.880 12.352 4.929 1.00 16.27 C ATOM 2053 C GLN A 134 9.751 11.125 4.694 1.00 15.45 C ATOM 2054 O GLN A 134 10.886 11.070 5.167 1.00 15.79 O ATOM 2055 CB GLN A 134 7.674 11.984 5.791 1.00 16.14 C ATOM 2056 CG GLN A 134 7.486 12.892 6.994 1.00 17.25 C ATOM 2057 CD GLN A 134 6.591 14.076 6.690 1.00 18.04 C ATOM 2058 OE1 GLN A 134 5.525 14.235 7.286 1.00 18.75 O ATOM 2059 NE2 GLN A 134 7.019 14.921 5.770 1.00 18.01 N ATOM 0 H GLN A 134 7.533 12.621 3.346 1.00 16.27 H new ATOM 0 HA GLN A 134 9.485 13.092 5.453 1.00 16.27 H new ATOM 0 HB2 GLN A 134 6.775 12.019 5.176 1.00 16.14 H new ATOM 0 HB3 GLN A 134 7.785 10.956 6.136 1.00 16.14 H new ATOM 0 HG2 GLN A 134 7.058 12.318 7.816 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.459 13.252 7.330 1.00 17.25 H new ATOM 0 HE21 GLN A 134 7.908 14.754 5.299 1.00 18.01 H new ATOM 0 HE22 GLN A 134 6.461 15.740 5.531 1.00 18.01 H new ATOM 2068 N TYR A 135 9.228 10.145 3.961 1.00 14.42 N ATOM 2069 CA TYR A 135 9.962 8.905 3.740 1.00 13.63 C ATOM 2070 C TYR A 135 11.193 9.158 2.890 1.00 13.70 C ATOM 2071 O TYR A 135 12.307 8.848 3.302 1.00 13.69 O ATOM 2072 CB TYR A 135 9.077 7.844 3.080 1.00 12.62 C ATOM 2073 CG TYR A 135 9.047 6.530 3.830 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.581 6.458 5.136 1.00 12.42 C ATOM 2075 CD2 TYR A 135 9.488 5.363 3.228 1.00 12.60 C ATOM 2076 CE1 TYR A 135 8.558 5.258 5.819 1.00 12.52 C ATOM 2077 CE2 TYR A 135 9.471 4.159 3.900 1.00 12.68 C ATOM 2078 CZ TYR A 135 8.976 4.125 5.220 1.00 12.67 C ATOM 2079 OH TYR A 135 8.985 2.913 5.873 1.00 12.97 O ATOM 0 H TYR A 135 8.311 10.185 3.516 1.00 14.42 H new ATOM 0 HA TYR A 135 10.275 8.529 4.714 1.00 13.63 H new ATOM 0 HB2 TYR A 135 8.061 8.230 2.998 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.433 7.666 2.065 1.00 12.62 H new ATOM 0 HD1 TYR A 135 8.231 7.355 5.625 1.00 12.42 H new ATOM 0 HD2 TYR A 135 9.852 5.397 2.212 1.00 12.60 H new ATOM 0 HE1 TYR A 135 8.203 5.227 6.839 1.00 12.52 H new ATOM 0 HE2 TYR A 135 9.830 3.259 3.424 1.00 12.68 H new ATOM 0 HH TYR A 135 9.123 2.192 5.223 1.00 12.97 H new ATOM 2089 N LYS A 136 11.000 9.731 1.705 1.00 13.88 N ATOM 2090 CA LYS A 136 12.124 10.011 0.825 1.00 14.15 C ATOM 2091 C LYS A 136 13.091 10.966 1.507 1.00 15.09 C ATOM 2092 O LYS A 136 12.759 12.121 1.777 1.00 15.85 O ATOM 2093 CB LYS A 136 11.652 10.583 -0.512 1.00 14.36 C ATOM 2094 CG LYS A 136 12.663 10.406 -1.631 1.00 14.69 C ATOM 2095 CD LYS A 136 13.080 11.741 -2.226 1.00 15.46 C ATOM 2096 CE LYS A 136 14.359 11.612 -3.038 1.00 15.93 C ATOM 2097 NZ LYS A 136 15.540 11.325 -2.180 1.00 16.56 N ATOM 0 H LYS A 136 10.089 10.006 1.338 1.00 13.88 H new ATOM 0 HA LYS A 136 12.640 9.073 0.618 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.717 10.100 -0.796 1.00 14.36 H new ATOM 0 HB3 LYS A 136 11.438 11.645 -0.390 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.542 9.887 -1.249 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.236 9.777 -2.412 1.00 14.69 H new ATOM 0 HD2 LYS A 136 12.281 12.123 -2.861 1.00 15.46 H new ATOM 0 HD3 LYS A 136 13.227 12.467 -1.427 1.00 15.46 H new ATOM 0 HE2 LYS A 136 14.243 10.815 -3.772 1.00 15.93 H new ATOM 0 HE3 LYS A 136 14.530 12.534 -3.593 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 16.410 11.575 -2.692 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 15.479 11.886 -1.306 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 15.558 10.313 -1.941 1.00 16.56 H new ATOM 2111 N GLY A 137 14.287 10.471 1.785 1.00 15.10 N ATOM 2112 CA GLY A 137 15.247 11.232 2.546 1.00 15.97 C ATOM 2113 C GLY A 137 15.765 10.444 3.731 1.00 15.85 C ATOM 2114 O GLY A 137 16.798 10.789 4.307 1.00 16.53 O ATOM 0 H GLY A 137 14.609 9.548 1.493 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.081 11.515 1.903 1.00 15.97 H new ATOM 0 HA3 GLY A 137 14.786 12.156 2.895 1.00 15.97 H new ATOM 2118 N VAL A 138 15.045 9.383 4.093 1.00 15.06 N ATOM 2119 CA VAL A 138 15.443 8.517 5.200 1.00 15.00 C ATOM 2120 C VAL A 138 16.704 7.737 4.866 1.00 14.61 C ATOM 2121 O VAL A 138 16.765 6.996 3.879 1.00 13.92 O ATOM 2122 CB VAL A 138 14.304 7.552 5.632 1.00 14.53 C ATOM 2123 CG1 VAL A 138 13.885 6.620 4.504 1.00 14.37 C ATOM 2124 CG2 VAL A 138 14.715 6.752 6.858 1.00 14.92 C ATOM 0 H VAL A 138 14.179 9.102 3.633 1.00 15.06 H new ATOM 0 HA VAL A 138 15.655 9.171 6.046 1.00 15.00 H new ATOM 0 HB VAL A 138 13.440 8.166 5.885 1.00 14.53 H new ATOM 0 HG11 VAL A 138 13.087 5.964 4.852 1.00 14.37 H new ATOM 0 HG12 VAL A 138 13.528 7.209 3.659 1.00 14.37 H new ATOM 0 HG13 VAL A 138 14.739 6.019 4.193 1.00 14.37 H new ATOM 0 HG21 VAL A 138 13.904 6.083 7.144 1.00 14.92 H new ATOM 0 HG22 VAL A 138 15.605 6.166 6.629 1.00 14.92 H new ATOM 0 HG23 VAL A 138 14.931 7.433 7.681 1.00 14.92 H new ATOM 2134 N PRO A 139 17.750 7.942 5.674 1.00 15.15 N ATOM 2135 CA PRO A 139 18.963 7.153 5.585 1.00 14.91 C ATOM 2136 C PRO A 139 18.671 5.726 5.994 1.00 14.45 C ATOM 2137 O PRO A 139 17.946 5.485 6.961 1.00 14.71 O ATOM 2138 CB PRO A 139 19.916 7.826 6.576 1.00 15.76 C ATOM 2139 CG PRO A 139 19.027 8.538 7.534 1.00 16.48 C ATOM 2140 CD PRO A 139 17.822 8.955 6.742 1.00 16.12 C ATOM 0 HA PRO A 139 19.381 7.111 4.579 1.00 14.91 H new ATOM 0 HB2 PRO A 139 20.540 7.092 7.086 1.00 15.76 H new ATOM 0 HB3 PRO A 139 20.588 8.519 6.070 1.00 15.76 H new ATOM 0 HG2 PRO A 139 18.745 7.888 8.362 1.00 16.48 H new ATOM 0 HG3 PRO A 139 19.530 9.403 7.965 1.00 16.48 H new ATOM 0 HD2 PRO A 139 16.920 8.959 7.354 1.00 16.12 H new ATOM 0 HD3 PRO A 139 17.936 9.960 6.336 1.00 16.12 H new ATOM 2148 N LEU A 140 19.222 4.785 5.268 1.00 13.94 N ATOM 2149 CA LEU A 140 18.943 3.398 5.534 1.00 13.62 C ATOM 2150 C LEU A 140 20.229 2.618 5.374 1.00 13.69 C ATOM 2151 O LEU A 140 20.559 2.196 4.263 1.00 13.37 O ATOM 2152 CB LEU A 140 17.872 2.862 4.587 1.00 12.88 C ATOM 2153 CG LEU A 140 16.724 2.110 5.263 1.00 12.84 C ATOM 2154 CD1 LEU A 140 15.613 3.071 5.656 1.00 13.08 C ATOM 2155 CD2 LEU A 140 16.189 1.020 4.346 1.00 12.35 C ATOM 0 H LEU A 140 19.863 4.954 4.493 1.00 13.94 H new ATOM 0 HA LEU A 140 18.561 3.290 6.549 1.00 13.62 H new ATOM 0 HB2 LEU A 140 17.456 3.697 4.024 1.00 12.88 H new ATOM 0 HB3 LEU A 140 18.347 2.196 3.866 1.00 12.88 H new ATOM 0 HG LEU A 140 17.107 1.641 6.169 1.00 12.84 H new ATOM 0 HD11 LEU A 140 14.806 2.517 6.135 1.00 13.08 H new ATOM 0 HD12 LEU A 140 16.004 3.815 6.350 1.00 13.08 H new ATOM 0 HD13 LEU A 140 15.232 3.570 4.765 1.00 13.08 H new ATOM 0 HD21 LEU A 140 15.373 0.495 4.842 1.00 12.35 H new ATOM 0 HD22 LEU A 140 15.823 1.469 3.422 1.00 12.35 H new ATOM 0 HD23 LEU A 140 16.987 0.314 4.115 1.00 12.35 H new ATOM 2167 N ASP A 141 20.957 2.480 6.482 1.00 14.24 N ATOM 2168 CA ASP A 141 22.324 1.959 6.482 1.00 14.50 C ATOM 2169 C ASP A 141 23.248 3.112 6.093 1.00 14.65 C ATOM 2170 O ASP A 141 22.862 4.272 6.234 1.00 14.60 O ATOM 2171 CB ASP A 141 22.495 0.754 5.536 1.00 14.25 C ATOM 2172 CG ASP A 141 23.672 -0.132 5.894 1.00 14.67 C ATOM 2173 OD1 ASP A 141 24.812 0.193 5.508 1.00 14.68 O ATOM 2174 OD2 ASP A 141 23.466 -1.147 6.590 1.00 15.08 O ATOM 0 H ASP A 141 20.613 2.728 7.410 1.00 14.24 H new ATOM 0 HA ASP A 141 22.574 1.583 7.474 1.00 14.50 H new ATOM 0 HB2 ASP A 141 21.583 0.157 5.552 1.00 14.25 H new ATOM 0 HB3 ASP A 141 22.621 1.117 4.516 1.00 14.25 H new ATOM 2179 N GLY A 142 24.426 2.816 5.577 1.00 14.99 N ATOM 2180 CA GLY A 142 25.402 3.855 5.275 1.00 15.30 C ATOM 2181 C GLY A 142 24.896 4.950 4.341 1.00 15.13 C ATOM 2182 O GLY A 142 25.546 5.986 4.199 1.00 15.53 O ATOM 0 H GLY A 142 24.733 1.868 5.357 1.00 14.99 H new ATOM 0 HA2 GLY A 142 25.726 4.314 6.209 1.00 15.30 H new ATOM 0 HA3 GLY A 142 26.280 3.391 4.827 1.00 15.30 H new ATOM 2186 N ARG A 143 23.752 4.735 3.700 1.00 14.64 N ATOM 2187 CA ARG A 143 23.215 5.695 2.740 1.00 14.58 C ATOM 2188 C ARG A 143 21.689 5.682 2.785 1.00 14.18 C ATOM 2189 O ARG A 143 21.097 4.682 3.182 1.00 13.64 O ATOM 2190 CB ARG A 143 23.695 5.341 1.328 1.00 14.55 C ATOM 2191 CG ARG A 143 24.255 6.523 0.554 1.00 14.62 C ATOM 2192 CD ARG A 143 25.600 6.956 1.106 1.00 15.01 C ATOM 2193 NE ARG A 143 26.706 6.325 0.397 1.00 15.55 N ATOM 2194 CZ ARG A 143 27.763 5.781 0.994 1.00 16.06 C ATOM 2195 NH1 ARG A 143 27.866 5.786 2.318 1.00 16.09 N ATOM 2196 NH2 ARG A 143 28.719 5.228 0.262 1.00 16.66 N ATOM 0 H ARG A 143 23.177 3.902 3.828 1.00 14.64 H new ATOM 0 HA ARG A 143 23.569 6.692 3.000 1.00 14.58 H new ATOM 0 HB2 ARG A 143 24.461 4.569 1.398 1.00 14.55 H new ATOM 0 HB3 ARG A 143 22.863 4.914 0.768 1.00 14.55 H new ATOM 0 HG2 ARG A 143 24.360 6.255 -0.497 1.00 14.62 H new ATOM 0 HG3 ARG A 143 23.554 7.357 0.602 1.00 14.62 H new ATOM 0 HD2 ARG A 143 25.692 8.040 1.031 1.00 15.01 H new ATOM 0 HD3 ARG A 143 25.656 6.704 2.165 1.00 15.01 H new ATOM 0 HE ARG A 143 26.667 6.299 -0.622 1.00 15.55 H new ATOM 0 HH11 ARG A 143 27.131 6.209 2.885 1.00 16.09 H new ATOM 0 HH12 ARG A 143 28.680 5.367 2.768 1.00 16.09 H new ATOM 0 HH21 ARG A 143 28.643 5.221 -0.755 1.00 16.66 H new ATOM 0 HH22 ARG A 143 29.531 4.810 0.716 1.00 16.66 H new ATOM 2210 N PRO A 144 21.030 6.792 2.402 1.00 14.56 N ATOM 2211 CA PRO A 144 19.565 6.856 2.322 1.00 14.25 C ATOM 2212 C PRO A 144 18.974 5.757 1.436 1.00 13.50 C ATOM 2213 O PRO A 144 19.645 5.229 0.545 1.00 13.51 O ATOM 2214 CB PRO A 144 19.297 8.233 1.710 1.00 15.09 C ATOM 2215 CG PRO A 144 20.498 9.038 2.053 1.00 15.66 C ATOM 2216 CD PRO A 144 21.653 8.078 2.038 1.00 15.41 C ATOM 0 HA PRO A 144 19.104 6.710 3.299 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.160 8.167 0.631 1.00 15.09 H new ATOM 0 HB3 PRO A 144 18.391 8.679 2.120 1.00 15.09 H new ATOM 0 HG2 PRO A 144 20.649 9.842 1.332 1.00 15.66 H new ATOM 0 HG3 PRO A 144 20.390 9.504 3.032 1.00 15.66 H new ATOM 0 HD2 PRO A 144 22.126 8.033 1.057 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.425 8.367 2.751 1.00 15.41 H new ATOM 2224 N MET A 145 17.718 5.425 1.687 1.00 12.97 N ATOM 2225 CA MET A 145 17.047 4.374 0.931 1.00 12.29 C ATOM 2226 C MET A 145 16.369 4.951 -0.304 1.00 12.48 C ATOM 2227 O MET A 145 16.321 6.171 -0.490 1.00 13.04 O ATOM 2228 CB MET A 145 16.049 3.609 1.816 1.00 11.64 C ATOM 2229 CG MET A 145 14.596 4.041 1.676 1.00 11.69 C ATOM 2230 SD MET A 145 13.484 2.647 1.412 1.00 11.33 S ATOM 2231 CE MET A 145 12.704 2.526 3.019 1.00 11.40 C ATOM 0 H MET A 145 17.142 5.865 2.405 1.00 12.97 H new ATOM 0 HA MET A 145 17.799 3.660 0.596 1.00 12.29 H new ATOM 0 HB2 MET A 145 16.120 2.547 1.582 1.00 11.64 H new ATOM 0 HB3 MET A 145 16.348 3.726 2.858 1.00 11.64 H new ATOM 0 HG2 MET A 145 14.292 4.579 2.574 1.00 11.69 H new ATOM 0 HG3 MET A 145 14.506 4.737 0.842 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.936 1.753 2.994 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.453 2.270 3.768 1.00 11.40 H new ATOM 0 HE3 MET A 145 12.247 3.482 3.275 1.00 11.40 H new ATOM 2241 N ASP A 146 15.836 4.072 -1.137 1.00 12.13 N ATOM 2242 CA ASP A 146 15.244 4.511 -2.391 1.00 12.38 C ATOM 2243 C ASP A 146 13.734 4.566 -2.297 1.00 11.73 C ATOM 2244 O ASP A 146 13.077 3.587 -1.956 1.00 11.11 O ATOM 2245 CB ASP A 146 15.667 3.612 -3.545 1.00 12.64 C ATOM 2246 CG ASP A 146 15.852 4.396 -4.828 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.729 5.635 -4.793 1.00 13.71 O ATOM 2248 OD2 ASP A 146 16.117 3.776 -5.883 1.00 13.51 O ATOM 0 H ASP A 146 15.800 3.066 -0.972 1.00 12.13 H new ATOM 0 HA ASP A 146 15.612 5.518 -2.587 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.598 3.107 -3.290 1.00 12.64 H new ATOM 0 HB3 ASP A 146 14.915 2.837 -3.697 1.00 12.64 H new ATOM 2253 N ILE A 147 13.202 5.747 -2.577 1.00 11.99 N ATOM 2254 CA ILE A 147 11.776 6.009 -2.473 1.00 11.55 C ATOM 2255 C ILE A 147 11.305 6.837 -3.661 1.00 12.03 C ATOM 2256 O ILE A 147 11.830 7.919 -3.922 1.00 12.66 O ATOM 2257 CB ILE A 147 11.435 6.774 -1.173 1.00 11.54 C ATOM 2258 CG1 ILE A 147 12.699 6.976 -0.320 1.00 12.01 C ATOM 2259 CG2 ILE A 147 10.354 6.037 -0.398 1.00 10.85 C ATOM 2260 CD1 ILE A 147 12.560 6.548 1.125 1.00 11.93 C ATOM 0 H ILE A 147 13.749 6.551 -2.883 1.00 11.99 H new ATOM 0 HA ILE A 147 11.269 5.044 -2.461 1.00 11.55 H new ATOM 0 HB ILE A 147 11.050 7.760 -1.433 1.00 11.54 H new ATOM 0 HG12 ILE A 147 13.519 6.419 -0.773 1.00 12.01 H new ATOM 0 HG13 ILE A 147 12.975 8.030 -0.348 1.00 12.01 H new ATOM 0 HG21 ILE A 147 10.123 6.586 0.515 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.456 5.958 -1.011 1.00 10.85 H new ATOM 0 HG23 ILE A 147 10.707 5.038 -0.142 1.00 10.85 H new ATOM 0 HD11 ILE A 147 13.499 6.727 1.649 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.764 7.122 1.600 1.00 11.93 H new ATOM 0 HD13 ILE A 147 12.317 5.486 1.168 1.00 11.93 H new ATOM 2272 N GLN A 148 10.334 6.316 -4.387 1.00 11.86 N ATOM 2273 CA GLN A 148 9.779 7.019 -5.530 1.00 12.36 C ATOM 2274 C GLN A 148 8.281 7.192 -5.363 1.00 11.92 C ATOM 2275 O GLN A 148 7.554 6.219 -5.187 1.00 11.28 O ATOM 2276 CB GLN A 148 10.079 6.257 -6.824 1.00 12.71 C ATOM 2277 CG GLN A 148 11.556 5.971 -7.031 1.00 13.36 C ATOM 2278 CD GLN A 148 12.042 6.363 -8.412 1.00 13.82 C ATOM 2279 OE1 GLN A 148 11.640 7.391 -8.959 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.914 5.553 -8.984 1.00 13.78 N ATOM 0 H GLN A 148 9.912 5.406 -4.205 1.00 11.86 H new ATOM 0 HA GLN A 148 10.243 8.003 -5.589 1.00 12.36 H new ATOM 0 HB2 GLN A 148 9.532 5.314 -6.816 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.707 6.834 -7.671 1.00 12.71 H new ATOM 0 HG2 GLN A 148 12.134 6.510 -6.281 1.00 13.36 H new ATOM 0 HG3 GLN A 148 11.741 4.908 -6.874 1.00 13.36 H new ATOM 0 HE21 GLN A 148 13.223 4.711 -8.498 1.00 13.78 H new ATOM 0 HE22 GLN A 148 13.279 5.770 -9.912 1.00 13.78 H new ATOM 2289 N LEU A 149 7.823 8.431 -5.410 1.00 12.38 N ATOM 2290 CA LEU A 149 6.409 8.712 -5.282 1.00 12.11 C ATOM 2291 C LEU A 149 5.876 9.239 -6.604 1.00 12.57 C ATOM 2292 O LEU A 149 6.099 10.397 -6.957 1.00 13.35 O ATOM 2293 CB LEU A 149 6.169 9.727 -4.165 1.00 12.48 C ATOM 2294 CG LEU A 149 6.038 9.129 -2.764 1.00 12.21 C ATOM 2295 CD1 LEU A 149 5.065 7.963 -2.770 1.00 11.94 C ATOM 2296 CD2 LEU A 149 7.397 8.693 -2.237 1.00 12.16 C ATOM 0 H LEU A 149 8.411 9.255 -5.536 1.00 12.38 H new ATOM 0 HA LEU A 149 5.881 7.793 -5.026 1.00 12.11 H new ATOM 0 HB2 LEU A 149 6.991 10.443 -4.162 1.00 12.48 H new ATOM 0 HB3 LEU A 149 5.261 10.286 -4.391 1.00 12.48 H new ATOM 0 HG LEU A 149 5.646 9.898 -2.099 1.00 12.21 H new ATOM 0 HD11 LEU A 149 4.985 7.551 -1.764 1.00 11.94 H new ATOM 0 HD12 LEU A 149 4.085 8.309 -3.099 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.425 7.192 -3.451 1.00 11.94 H new ATOM 0 HD21 LEU A 149 7.282 8.270 -1.239 1.00 12.16 H new ATOM 0 HD22 LEU A 149 7.821 7.941 -2.903 1.00 12.16 H new ATOM 0 HD23 LEU A 149 8.063 9.555 -2.191 1.00 12.16 H new ATOM 2308 N VAL A 150 5.167 8.391 -7.326 1.00 12.18 N ATOM 2309 CA VAL A 150 4.679 8.748 -8.648 1.00 12.66 C ATOM 2310 C VAL A 150 3.196 9.066 -8.591 1.00 12.39 C ATOM 2311 O VAL A 150 2.399 8.254 -8.109 1.00 11.73 O ATOM 2312 CB VAL A 150 4.921 7.622 -9.675 1.00 12.72 C ATOM 2313 CG1 VAL A 150 4.891 8.180 -11.089 1.00 13.21 C ATOM 2314 CG2 VAL A 150 6.239 6.913 -9.403 1.00 12.72 C ATOM 0 H VAL A 150 4.916 7.451 -7.021 1.00 12.18 H new ATOM 0 HA VAL A 150 5.236 9.628 -8.971 1.00 12.66 H new ATOM 0 HB VAL A 150 4.120 6.890 -9.576 1.00 12.72 H new ATOM 0 HG11 VAL A 150 5.063 7.374 -11.802 1.00 13.21 H new ATOM 0 HG12 VAL A 150 3.918 8.633 -11.281 1.00 13.21 H new ATOM 0 HG13 VAL A 150 5.670 8.934 -11.199 1.00 13.21 H new ATOM 0 HG21 VAL A 150 6.387 6.124 -10.140 1.00 12.72 H new ATOM 0 HG22 VAL A 150 7.058 7.629 -9.469 1.00 12.72 H new ATOM 0 HG23 VAL A 150 6.218 6.477 -8.404 1.00 12.72 H new ATOM 2324 N ALA A 151 2.853 10.273 -9.050 1.00 13.01 N ATOM 2325 CA ALA A 151 1.483 10.774 -9.012 1.00 12.96 C ATOM 2326 C ALA A 151 1.098 11.047 -7.567 1.00 13.33 C ATOM 2327 O ALA A 151 0.060 10.601 -7.082 1.00 13.35 O ATOM 2328 CB ALA A 151 0.506 9.811 -9.679 1.00 12.65 C ATOM 0 H ALA A 151 3.520 10.928 -9.458 1.00 13.01 H new ATOM 0 HA ALA A 151 1.430 11.702 -9.581 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -0.502 10.222 -9.629 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.789 9.670 -10.722 1.00 12.65 H new ATOM 0 HB3 ALA A 151 0.532 8.851 -9.163 1.00 12.65 H new