USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 177 GLN :FLIP amide:sc= -1.74 F(o=-2!,f=-1.3) USER MOD Set 1.2: A 215 THR OG1 : rot -40:sc= 0.432 USER MOD Single : A 142 SER OG : rot -27:sc= 0.146 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.0298 F(o=-1.3!,f=-0.03) USER MOD Single : A 144 LYS NZ :NH3+ -150:sc= 1.32 (180deg=1.12) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= -0.0276 K(o=-0.028,f=-5.1!) USER MOD Single : A 157 ASN : amide:sc= -2.01! X(o=-2!,f=-2.2) USER MOD Single : A 158 MET CE :methyl -161:sc= -0.151 (180deg=-0.708) USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= -0.0933 USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 112:sc= 1.34 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 161:sc= 0.00644 (180deg=-0.413) USER MOD Single : A 172 LYS NZ :NH3+ -113:sc= 0.93 (180deg=0.71) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 LYS NZ :NH3+ 158:sc= 1.25 (180deg=0.526) USER MOD Single : A 182 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.1) USER MOD Single : A 183 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.602) USER MOD Single : A 185 GLN : amide:sc= 0.672 K(o=0.67,f=-4.1!) USER MOD Single : A 188 THR OG1 : rot -160:sc= -0.185 USER MOD Single : A 191 HIS :FLIP no HE2:sc= -0.0391 F(o=-0.66,f=-0.039) USER MOD Single : A 197 SER OG : rot 94:sc= 1.25 USER MOD Single : A 202 CYS SG : rot -130:sc= -2.64! USER MOD Single : A 204 GLN : amide:sc= -3.11 K(o=-3.1,f=-7.3!) USER MOD Single : A 206 SER OG : rot 158:sc= -0.453 USER MOD Single : A 209 THR OG1 : rot 73:sc= 0.88 USER MOD Single : A 216 ASN : amide:sc= -0.2 K(o=-0.2,f=-11!) USER MOD Single : A 219 CYS SG : rot -133:sc= 0.324 USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 633 THR OG1 : rot 180:sc= 0 USER MOD Single : B 640 SER OG : rot -35:sc= 0.223 USER MOD Single : B 644 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.72) USER MOD Single : B 646 GLN : amide:sc= -2.31! C(o=-2.3!,f=-4.1!) USER MOD Single : B 647 TYR OH : rot 100:sc= 0.107 USER MOD Single : B 656 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.1) USER MOD Single : B 657 LYS NZ :NH3+ -108:sc= 1.14 (180deg=-1.26!) USER MOD Single : B 660 ASN :FLIP amide:sc= -2.33 F(o=-3.1,f=-2.3) USER MOD Single : B 663 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6!) USER MOD Single : B 665 GLN :FLIP amide:sc= -0.0894 F(o=-1.1,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -14.557 0.953 4.066 1.00 0.92 N ATOM 45 CA LEU A 141 -14.015 0.747 2.736 1.00 0.75 C ATOM 46 C LEU A 141 -15.107 0.820 1.679 1.00 0.70 C ATOM 47 O LEU A 141 -14.910 1.416 0.641 1.00 0.64 O ATOM 48 CB LEU A 141 -13.262 -0.576 2.637 1.00 0.82 C ATOM 49 CG LEU A 141 -11.990 -0.675 3.484 1.00 0.94 C ATOM 50 CD1 LEU A 141 -11.276 -1.979 3.198 1.00 1.05 C ATOM 51 CD2 LEU A 141 -11.060 0.498 3.217 1.00 0.88 C ATOM 0 HA LEU A 141 -13.304 1.552 2.549 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -13.936 -1.381 2.930 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -12.997 -0.746 1.593 1.00 0.82 H new ATOM 0 HG LEU A 141 -12.279 -0.646 4.535 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.373 -2.040 3.805 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -11.933 -2.814 3.440 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -11.007 -2.023 2.143 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -10.166 0.401 3.832 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -10.777 0.506 2.164 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.570 1.430 3.463 1.00 0.88 H new ATOM 63 N SER A 142 -16.272 0.255 1.947 1.00 0.90 N ATOM 64 CA SER A 142 -17.355 0.288 0.968 1.00 0.97 C ATOM 65 C SER A 142 -17.840 1.723 0.730 1.00 0.95 C ATOM 66 O SER A 142 -18.589 1.988 -0.212 1.00 1.05 O ATOM 67 CB SER A 142 -18.513 -0.601 1.421 1.00 1.21 C ATOM 68 OG SER A 142 -19.513 -0.703 0.417 1.00 1.82 O ATOM 0 H SER A 142 -16.494 -0.226 2.819 1.00 0.90 H new ATOM 0 HA SER A 142 -16.969 -0.098 0.024 1.00 0.97 H new ATOM 0 HB2 SER A 142 -18.137 -1.595 1.664 1.00 1.21 H new ATOM 0 HB3 SER A 142 -18.951 -0.194 2.332 1.00 1.21 H new ATOM 0 HG SER A 142 -19.495 0.100 -0.145 1.00 1.82 H new ATOM 74 N GLN A 143 -17.410 2.641 1.591 1.00 0.98 N ATOM 75 CA GLN A 143 -17.758 4.046 1.453 1.00 1.10 C ATOM 76 C GLN A 143 -16.727 4.812 0.609 1.00 0.95 C ATOM 77 O GLN A 143 -17.088 5.455 -0.373 1.00 1.02 O ATOM 78 CB GLN A 143 -17.888 4.684 2.837 1.00 1.41 C ATOM 79 CG GLN A 143 -18.239 6.163 2.803 1.00 1.32 C ATOM 80 CD GLN A 143 -18.509 6.729 4.183 1.00 1.79 C ATOM 81 OE1 GLN A 143 -19.063 5.909 5.064 1.00 2.41 O flip ATOM 82 NE2 GLN A 143 -18.237 7.898 4.454 1.00 2.29 N flip ATOM 0 H GLN A 143 -16.817 2.432 2.394 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.713 4.105 0.931 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -18.654 4.152 3.401 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -16.949 4.556 3.375 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -17.421 6.716 2.341 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -19.118 6.310 2.176 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -17.811 8.499 3.749 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -18.438 8.266 5.384 1.00 2.29 H new ATOM 91 N LYS A 144 -15.451 4.757 0.993 1.00 0.84 N ATOM 92 CA LYS A 144 -14.423 5.553 0.309 1.00 0.83 C ATOM 93 C LYS A 144 -13.563 4.706 -0.624 1.00 0.74 C ATOM 94 O LYS A 144 -12.937 5.220 -1.550 1.00 0.88 O ATOM 95 CB LYS A 144 -13.496 6.232 1.320 1.00 1.00 C ATOM 96 CG LYS A 144 -14.187 7.105 2.353 1.00 1.12 C ATOM 97 CD LYS A 144 -13.155 7.847 3.189 1.00 1.33 C ATOM 98 CE LYS A 144 -13.797 8.646 4.303 1.00 1.39 C ATOM 99 NZ LYS A 144 -12.802 9.480 5.029 1.00 1.56 N ATOM 0 H LYS A 144 -15.105 4.181 1.760 1.00 0.84 H new ATOM 0 HA LYS A 144 -14.959 6.299 -0.278 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -12.928 5.461 1.842 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -12.777 6.843 0.775 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -14.844 7.819 1.856 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -14.814 6.490 2.998 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -12.451 7.132 3.615 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -12.581 8.516 2.547 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -14.575 9.287 3.889 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -14.283 7.967 5.004 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -13.103 9.598 6.018 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -11.873 9.013 5.003 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -12.734 10.413 4.575 1.00 1.56 H new ATOM 113 N PHE A 145 -13.527 3.413 -0.374 1.00 0.66 N ATOM 114 CA PHE A 145 -12.606 2.520 -1.066 1.00 0.65 C ATOM 115 C PHE A 145 -13.351 1.311 -1.654 1.00 0.80 C ATOM 116 O PHE A 145 -13.054 0.165 -1.309 1.00 1.08 O ATOM 117 CB PHE A 145 -11.542 2.036 -0.071 1.00 0.54 C ATOM 118 CG PHE A 145 -10.745 3.123 0.596 1.00 0.45 C ATOM 119 CD1 PHE A 145 -9.585 3.612 0.025 1.00 0.41 C ATOM 120 CD2 PHE A 145 -11.142 3.627 1.820 1.00 0.72 C ATOM 121 CE1 PHE A 145 -8.841 4.590 0.662 1.00 0.50 C ATOM 122 CE2 PHE A 145 -10.401 4.597 2.460 1.00 0.70 C ATOM 123 CZ PHE A 145 -9.248 5.079 1.883 1.00 0.51 C ATOM 0 H PHE A 145 -14.128 2.950 0.308 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.137 3.062 -1.887 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -12.033 1.442 0.700 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -10.854 1.372 -0.594 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -9.256 3.227 -0.929 1.00 0.41 H new ATOM 0 HD2 PHE A 145 -12.045 3.256 2.281 1.00 0.72 H new ATOM 0 HE1 PHE A 145 -7.941 4.970 0.201 1.00 0.50 H new ATOM 0 HE2 PHE A 145 -10.726 4.980 3.416 1.00 0.70 H new ATOM 0 HZ PHE A 145 -8.666 5.837 2.386 1.00 0.51 H new ATOM 133 N PRO A 146 -14.321 1.535 -2.558 1.00 0.95 N ATOM 134 CA PRO A 146 -15.218 0.476 -3.025 1.00 1.20 C ATOM 135 C PRO A 146 -14.643 -0.340 -4.178 1.00 1.16 C ATOM 136 O PRO A 146 -15.275 -1.278 -4.665 1.00 1.34 O ATOM 137 CB PRO A 146 -16.442 1.266 -3.481 1.00 1.61 C ATOM 138 CG PRO A 146 -15.896 2.563 -3.983 1.00 1.75 C ATOM 139 CD PRO A 146 -14.623 2.827 -3.212 1.00 1.23 C ATOM 0 HA PRO A 146 -15.415 -0.266 -2.251 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -16.985 0.736 -4.264 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -17.140 1.423 -2.659 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -15.696 2.510 -5.053 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -16.614 3.369 -3.832 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -13.814 3.138 -3.873 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -14.759 3.622 -2.479 1.00 1.23 H new ATOM 147 N GLU A 147 -13.441 0.013 -4.603 1.00 1.10 N ATOM 148 CA GLU A 147 -12.818 -0.632 -5.749 1.00 1.30 C ATOM 149 C GLU A 147 -11.430 -1.157 -5.411 1.00 1.02 C ATOM 150 O GLU A 147 -10.542 -1.203 -6.261 1.00 1.03 O ATOM 151 CB GLU A 147 -12.785 0.325 -6.940 1.00 1.64 C ATOM 152 CG GLU A 147 -12.516 1.776 -6.572 1.00 1.61 C ATOM 153 CD GLU A 147 -13.020 2.724 -7.640 1.00 1.74 C ATOM 154 OE1 GLU A 147 -12.541 2.640 -8.790 1.00 2.18 O ATOM 155 OE2 GLU A 147 -13.929 3.525 -7.345 1.00 1.73 O ATOM 0 H GLU A 147 -12.876 0.744 -4.171 1.00 1.10 H new ATOM 0 HA GLU A 147 -13.421 -1.497 -6.024 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -12.017 -0.009 -7.638 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -13.739 0.267 -7.464 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -12.999 2.007 -5.622 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -11.445 1.923 -6.429 1.00 1.61 H new ATOM 162 N LEU A 148 -11.247 -1.533 -4.153 1.00 0.87 N ATOM 163 CA LEU A 148 -9.979 -2.086 -3.700 1.00 0.76 C ATOM 164 C LEU A 148 -9.700 -3.436 -4.352 1.00 0.97 C ATOM 165 O LEU A 148 -10.541 -4.338 -4.325 1.00 1.22 O ATOM 166 CB LEU A 148 -9.978 -2.239 -2.183 1.00 0.71 C ATOM 167 CG LEU A 148 -10.056 -0.930 -1.404 1.00 0.56 C ATOM 168 CD1 LEU A 148 -10.032 -1.208 0.085 1.00 0.62 C ATOM 169 CD2 LEU A 148 -8.913 -0.003 -1.798 1.00 0.54 C ATOM 0 H LEU A 148 -11.961 -1.465 -3.428 1.00 0.87 H new ATOM 0 HA LEU A 148 -9.191 -1.392 -3.994 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -10.822 -2.866 -1.895 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -9.072 -2.768 -1.887 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.994 -0.433 -1.649 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -10.088 -0.267 0.632 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -10.883 -1.834 0.352 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -9.107 -1.723 0.344 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -8.986 0.925 -1.232 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -7.961 -0.487 -1.581 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -8.974 0.217 -2.864 1.00 0.54 H new ATOM 181 N PRO A 149 -8.514 -3.578 -4.959 1.00 0.92 N ATOM 182 CA PRO A 149 -8.083 -4.828 -5.590 1.00 1.11 C ATOM 183 C PRO A 149 -7.813 -5.928 -4.562 1.00 1.19 C ATOM 184 O PRO A 149 -7.367 -5.652 -3.447 1.00 1.14 O ATOM 185 CB PRO A 149 -6.784 -4.441 -6.314 1.00 1.17 C ATOM 186 CG PRO A 149 -6.764 -2.948 -6.324 1.00 0.92 C ATOM 187 CD PRO A 149 -7.501 -2.525 -5.094 1.00 0.74 C ATOM 0 HA PRO A 149 -8.847 -5.233 -6.253 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -5.912 -4.842 -5.797 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -6.765 -4.841 -7.328 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -5.742 -2.570 -6.317 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -7.243 -2.556 -7.221 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -6.846 -2.477 -4.224 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -7.952 -1.539 -5.209 1.00 0.74 H new ATOM 195 N SER A 150 -8.059 -7.173 -4.959 1.00 1.35 N ATOM 196 CA SER A 150 -7.940 -8.312 -4.052 1.00 1.45 C ATOM 197 C SER A 150 -6.538 -8.925 -4.121 1.00 1.42 C ATOM 198 O SER A 150 -6.119 -9.659 -3.222 1.00 1.56 O ATOM 199 CB SER A 150 -8.996 -9.364 -4.407 1.00 1.60 C ATOM 200 OG SER A 150 -9.034 -10.412 -3.455 1.00 2.32 O ATOM 0 H SER A 150 -8.343 -7.420 -5.907 1.00 1.35 H new ATOM 0 HA SER A 150 -8.104 -7.963 -3.032 1.00 1.45 H new ATOM 0 HB2 SER A 150 -9.976 -8.890 -4.466 1.00 1.60 H new ATOM 0 HB3 SER A 150 -8.782 -9.776 -5.393 1.00 1.60 H new ATOM 0 HG SER A 150 -9.719 -11.063 -3.713 1.00 2.32 H new ATOM 206 N GLY A 151 -5.811 -8.609 -5.184 1.00 1.29 N ATOM 207 CA GLY A 151 -4.488 -9.165 -5.366 1.00 1.28 C ATOM 208 C GLY A 151 -4.470 -10.307 -6.364 1.00 1.24 C ATOM 209 O GLY A 151 -5.518 -10.864 -6.702 1.00 1.36 O ATOM 0 H GLY A 151 -6.116 -7.976 -5.924 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -3.811 -8.380 -5.704 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -4.111 -9.519 -4.407 1.00 1.28 H new ATOM 213 N ILE A 152 -3.284 -10.653 -6.838 1.00 1.15 N ATOM 214 CA ILE A 152 -3.126 -11.740 -7.796 1.00 1.16 C ATOM 215 C ILE A 152 -2.780 -13.042 -7.085 1.00 1.24 C ATOM 216 O ILE A 152 -2.158 -13.035 -6.017 1.00 1.30 O ATOM 217 CB ILE A 152 -2.018 -11.434 -8.828 1.00 1.08 C ATOM 218 CG1 ILE A 152 -0.666 -11.290 -8.124 1.00 1.05 C ATOM 219 CG2 ILE A 152 -2.357 -10.176 -9.615 1.00 1.06 C ATOM 220 CD1 ILE A 152 0.501 -11.083 -9.058 1.00 1.00 C ATOM 0 H ILE A 152 -2.411 -10.195 -6.574 1.00 1.15 H new ATOM 0 HA ILE A 152 -4.079 -11.842 -8.316 1.00 1.16 H new ATOM 0 HB ILE A 152 -1.953 -12.265 -9.530 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -0.717 -10.449 -7.433 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -0.484 -12.183 -7.526 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -1.566 -9.975 -10.338 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -3.301 -10.319 -10.141 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -2.447 -9.332 -8.931 1.00 1.06 H new ATOM 0 HD11 ILE A 152 1.419 -10.991 -8.478 1.00 1.00 H new ATOM 0 HD12 ILE A 152 0.582 -11.935 -9.733 1.00 1.00 H new ATOM 0 HD13 ILE A 152 0.346 -10.174 -9.639 1.00 1.00 H new ATOM 232 N ASP A 153 -3.202 -14.154 -7.672 1.00 1.33 N ATOM 233 CA ASP A 153 -2.817 -15.470 -7.183 1.00 1.40 C ATOM 234 C ASP A 153 -1.392 -15.761 -7.619 1.00 1.38 C ATOM 235 O ASP A 153 -1.056 -15.622 -8.796 1.00 1.40 O ATOM 236 CB ASP A 153 -3.774 -16.551 -7.700 1.00 1.56 C ATOM 237 CG ASP A 153 -5.155 -16.432 -7.090 1.00 2.38 C ATOM 238 OD1 ASP A 153 -5.946 -15.593 -7.564 1.00 2.83 O ATOM 239 OD2 ASP A 153 -5.443 -17.152 -6.107 1.00 3.20 O ATOM 0 H ASP A 153 -3.812 -14.170 -8.489 1.00 1.33 H new ATOM 0 HA ASP A 153 -2.874 -15.478 -6.095 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -3.850 -16.478 -8.785 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -3.363 -17.535 -7.475 1.00 1.56 H new ATOM 244 N VAL A 154 -0.562 -16.171 -6.674 1.00 1.41 N ATOM 245 CA VAL A 154 0.870 -16.278 -6.898 1.00 1.39 C ATOM 246 C VAL A 154 1.331 -17.698 -6.653 1.00 1.51 C ATOM 247 O VAL A 154 0.982 -18.315 -5.645 1.00 1.60 O ATOM 248 CB VAL A 154 1.679 -15.340 -5.972 1.00 1.31 C ATOM 249 CG1 VAL A 154 3.168 -15.430 -6.279 1.00 1.31 C ATOM 250 CG2 VAL A 154 1.199 -13.907 -6.101 1.00 1.18 C ATOM 0 H VAL A 154 -0.860 -16.438 -5.735 1.00 1.41 H new ATOM 0 HA VAL A 154 1.048 -15.986 -7.933 1.00 1.39 H new ATOM 0 HB VAL A 154 1.519 -15.664 -4.944 1.00 1.31 H new ATOM 0 HG11 VAL A 154 3.717 -14.762 -5.616 1.00 1.31 H new ATOM 0 HG12 VAL A 154 3.510 -16.454 -6.127 1.00 1.31 H new ATOM 0 HG13 VAL A 154 3.344 -15.139 -7.314 1.00 1.31 H new ATOM 0 HG21 VAL A 154 1.783 -13.267 -5.440 1.00 1.18 H new ATOM 0 HG22 VAL A 154 1.322 -13.573 -7.131 1.00 1.18 H new ATOM 0 HG23 VAL A 154 0.146 -13.850 -5.824 1.00 1.18 H new ATOM 260 N ASN A 155 2.111 -18.214 -7.579 1.00 1.59 N ATOM 261 CA ASN A 155 2.671 -19.541 -7.449 1.00 1.69 C ATOM 262 C ASN A 155 3.850 -19.527 -6.477 1.00 1.65 C ATOM 263 O ASN A 155 5.022 -19.496 -6.862 1.00 1.66 O ATOM 264 CB ASN A 155 3.071 -20.073 -8.829 1.00 1.79 C ATOM 265 CG ASN A 155 4.106 -19.217 -9.551 1.00 2.07 C ATOM 266 OD1 ASN A 155 4.106 -17.990 -9.455 1.00 2.69 O ATOM 267 ND2 ASN A 155 5.001 -19.867 -10.275 1.00 2.17 N ATOM 0 H ASN A 155 2.373 -17.729 -8.437 1.00 1.59 H new ATOM 0 HA ASN A 155 1.920 -20.215 -7.037 1.00 1.69 H new ATOM 0 HB2 ASN A 155 3.465 -21.083 -8.717 1.00 1.79 H new ATOM 0 HB3 ASN A 155 2.179 -20.146 -9.451 1.00 1.79 H new ATOM 0 HD21 ASN A 155 5.723 -19.351 -10.778 1.00 2.17 H new ATOM 0 HD22 ASN A 155 4.970 -20.885 -10.331 1.00 2.17 H new ATOM 274 N ILE A 156 3.518 -19.570 -5.194 1.00 1.64 N ATOM 275 CA ILE A 156 4.515 -19.516 -4.134 1.00 1.62 C ATOM 276 C ILE A 156 5.243 -20.846 -3.996 1.00 1.69 C ATOM 277 O ILE A 156 6.061 -21.036 -3.096 1.00 1.73 O ATOM 278 CB ILE A 156 3.883 -19.104 -2.793 1.00 1.63 C ATOM 279 CG1 ILE A 156 2.754 -20.065 -2.404 1.00 1.74 C ATOM 280 CG2 ILE A 156 3.367 -17.676 -2.893 1.00 1.51 C ATOM 281 CD1 ILE A 156 2.089 -19.727 -1.083 1.00 1.80 C ATOM 0 H ILE A 156 2.557 -19.643 -4.860 1.00 1.64 H new ATOM 0 HA ILE A 156 5.245 -18.756 -4.411 1.00 1.62 H new ATOM 0 HB ILE A 156 4.642 -19.154 -2.013 1.00 1.63 H new ATOM 0 HG12 ILE A 156 2.000 -20.062 -3.191 1.00 1.74 H new ATOM 0 HG13 ILE A 156 3.154 -21.078 -2.350 1.00 1.74 H new ATOM 0 HG21 ILE A 156 2.919 -17.384 -1.943 1.00 1.51 H new ATOM 0 HG22 ILE A 156 4.194 -17.006 -3.126 1.00 1.51 H new ATOM 0 HG23 ILE A 156 2.617 -17.614 -3.682 1.00 1.51 H new ATOM 0 HD11 ILE A 156 1.301 -20.451 -0.876 1.00 1.80 H new ATOM 0 HD12 ILE A 156 2.830 -19.759 -0.284 1.00 1.80 H new ATOM 0 HD13 ILE A 156 1.658 -18.728 -1.138 1.00 1.80 H new ATOM 293 N ASN A 157 4.942 -21.757 -4.911 1.00 1.73 N ATOM 294 CA ASN A 157 5.663 -23.015 -5.033 1.00 1.77 C ATOM 295 C ASN A 157 6.932 -22.799 -5.857 1.00 1.79 C ATOM 296 O ASN A 157 7.675 -23.737 -6.135 1.00 1.77 O ATOM 297 CB ASN A 157 4.776 -24.069 -5.707 1.00 1.92 C ATOM 298 CG ASN A 157 4.236 -23.587 -7.040 1.00 2.12 C ATOM 299 OD1 ASN A 157 3.161 -22.993 -7.107 1.00 2.43 O ATOM 300 ND2 ASN A 157 4.989 -23.814 -8.104 1.00 2.67 N ATOM 0 H ASN A 157 4.190 -21.644 -5.590 1.00 1.73 H new ATOM 0 HA ASN A 157 5.934 -23.369 -4.038 1.00 1.77 H new ATOM 0 HB2 ASN A 157 5.350 -24.984 -5.857 1.00 1.92 H new ATOM 0 HB3 ASN A 157 3.945 -24.319 -5.048 1.00 1.92 H new ATOM 0 HD21 ASN A 157 4.684 -23.492 -9.023 1.00 2.67 H new ATOM 0 HD22 ASN A 157 5.874 -24.311 -8.006 1.00 2.67 H new ATOM 307 N MET A 158 7.157 -21.549 -6.254 1.00 1.90 N ATOM 308 CA MET A 158 8.328 -21.179 -7.042 1.00 2.03 C ATOM 309 C MET A 158 8.868 -19.835 -6.586 1.00 2.06 C ATOM 310 O MET A 158 10.071 -19.657 -6.418 1.00 2.54 O ATOM 311 CB MET A 158 7.983 -21.103 -8.532 1.00 2.22 C ATOM 312 CG MET A 158 7.852 -22.453 -9.214 1.00 2.49 C ATOM 313 SD MET A 158 9.362 -23.437 -9.114 1.00 2.73 S ATOM 314 CE MET A 158 10.567 -22.292 -9.784 1.00 3.33 C ATOM 0 H MET A 158 6.536 -20.769 -6.040 1.00 1.90 H new ATOM 0 HA MET A 158 9.086 -21.947 -6.892 1.00 2.03 H new ATOM 0 HB2 MET A 158 7.046 -20.558 -8.648 1.00 2.22 H new ATOM 0 HB3 MET A 158 8.754 -20.525 -9.042 1.00 2.22 H new ATOM 0 HG2 MET A 158 7.032 -23.007 -8.758 1.00 2.49 H new ATOM 0 HG3 MET A 158 7.591 -22.302 -10.261 1.00 2.49 H new ATOM 0 HE1 MET A 158 11.454 -22.841 -10.101 1.00 3.33 H new ATOM 0 HE2 MET A 158 10.138 -21.771 -10.640 1.00 3.33 H new ATOM 0 HE3 MET A 158 10.844 -21.566 -9.019 1.00 3.33 H new ATOM 324 N THR A 159 7.964 -18.894 -6.379 1.00 1.70 N ATOM 325 CA THR A 159 8.341 -17.550 -5.984 1.00 1.67 C ATOM 326 C THR A 159 7.578 -17.122 -4.740 1.00 1.55 C ATOM 327 O THR A 159 6.366 -17.297 -4.661 1.00 1.48 O ATOM 328 CB THR A 159 8.072 -16.549 -7.132 1.00 1.68 C ATOM 329 OG1 THR A 159 8.272 -15.198 -6.684 1.00 1.80 O ATOM 330 CG2 THR A 159 6.661 -16.716 -7.682 1.00 1.69 C ATOM 0 H THR A 159 6.959 -19.038 -6.479 1.00 1.70 H new ATOM 0 HA THR A 159 9.408 -17.552 -5.760 1.00 1.67 H new ATOM 0 HB THR A 159 8.781 -16.761 -7.933 1.00 1.68 H new ATOM 0 HG1 THR A 159 8.099 -14.579 -7.424 1.00 1.80 H new ATOM 0 HG21 THR A 159 6.498 -16.000 -8.488 1.00 1.69 H new ATOM 0 HG22 THR A 159 6.537 -17.729 -8.065 1.00 1.69 H new ATOM 0 HG23 THR A 159 5.937 -16.538 -6.887 1.00 1.69 H new ATOM 338 N THR A 160 8.283 -16.576 -3.761 1.00 1.57 N ATOM 339 CA THR A 160 7.629 -16.073 -2.569 1.00 1.48 C ATOM 340 C THR A 160 6.879 -14.785 -2.895 1.00 1.30 C ATOM 341 O THR A 160 7.296 -14.039 -3.787 1.00 1.25 O ATOM 342 CB THR A 160 8.632 -15.820 -1.426 1.00 1.57 C ATOM 343 OG1 THR A 160 9.747 -15.063 -1.911 1.00 1.57 O ATOM 344 CG2 THR A 160 9.122 -17.132 -0.833 1.00 1.87 C ATOM 0 H THR A 160 9.298 -16.472 -3.770 1.00 1.57 H new ATOM 0 HA THR A 160 6.927 -16.834 -2.230 1.00 1.48 H new ATOM 0 HB THR A 160 8.123 -15.256 -0.645 1.00 1.57 H new ATOM 0 HG1 THR A 160 10.379 -14.905 -1.179 1.00 1.57 H new ATOM 0 HG21 THR A 160 9.828 -16.926 -0.029 1.00 1.87 H new ATOM 0 HG22 THR A 160 8.274 -17.692 -0.437 1.00 1.87 H new ATOM 0 HG23 THR A 160 9.615 -17.720 -1.607 1.00 1.87 H new ATOM 352 N PRO A 161 5.764 -14.501 -2.210 1.00 1.25 N ATOM 353 CA PRO A 161 4.931 -13.344 -2.536 1.00 1.10 C ATOM 354 C PRO A 161 5.725 -12.041 -2.476 1.00 1.04 C ATOM 355 O PRO A 161 5.658 -11.223 -3.393 1.00 0.96 O ATOM 356 CB PRO A 161 3.828 -13.373 -1.471 1.00 1.13 C ATOM 357 CG PRO A 161 4.338 -14.267 -0.393 1.00 1.37 C ATOM 358 CD PRO A 161 5.240 -15.258 -1.067 1.00 1.35 C ATOM 0 HA PRO A 161 4.538 -13.390 -3.552 1.00 1.10 H new ATOM 0 HB2 PRO A 161 3.626 -12.373 -1.088 1.00 1.13 H new ATOM 0 HB3 PRO A 161 2.893 -13.751 -1.885 1.00 1.13 H new ATOM 0 HG2 PRO A 161 4.880 -13.697 0.362 1.00 1.37 H new ATOM 0 HG3 PRO A 161 3.517 -14.771 0.116 1.00 1.37 H new ATOM 0 HD2 PRO A 161 6.038 -15.593 -0.405 1.00 1.35 H new ATOM 0 HD3 PRO A 161 4.696 -16.147 -1.386 1.00 1.35 H new ATOM 366 N ALA A 162 6.521 -11.896 -1.420 1.00 1.12 N ATOM 367 CA ALA A 162 7.341 -10.704 -1.204 1.00 1.15 C ATOM 368 C ALA A 162 8.377 -10.523 -2.312 1.00 1.12 C ATOM 369 O ALA A 162 8.830 -9.409 -2.582 1.00 1.08 O ATOM 370 CB ALA A 162 8.038 -10.791 0.143 1.00 1.37 C ATOM 0 H ALA A 162 6.617 -12.601 -0.689 1.00 1.12 H new ATOM 0 HA ALA A 162 6.679 -9.838 -1.220 1.00 1.15 H new ATOM 0 HB1 ALA A 162 8.646 -9.900 0.296 1.00 1.37 H new ATOM 0 HB2 ALA A 162 7.292 -10.862 0.935 1.00 1.37 H new ATOM 0 HB3 ALA A 162 8.676 -11.674 0.166 1.00 1.37 H new ATOM 376 N MET A 163 8.704 -11.608 -3.000 1.00 1.16 N ATOM 377 CA MET A 163 9.755 -11.560 -3.996 1.00 1.24 C ATOM 378 C MET A 163 9.153 -11.044 -5.288 1.00 1.08 C ATOM 379 O MET A 163 9.705 -10.154 -5.941 1.00 1.04 O ATOM 380 CB MET A 163 10.375 -12.942 -4.212 1.00 1.46 C ATOM 381 CG MET A 163 11.454 -12.960 -5.278 1.00 2.02 C ATOM 382 SD MET A 163 12.068 -14.620 -5.615 1.00 2.40 S ATOM 383 CE MET A 163 13.201 -14.293 -6.963 1.00 2.50 C ATOM 0 H MET A 163 8.261 -12.520 -2.886 1.00 1.16 H new ATOM 0 HA MET A 163 10.552 -10.898 -3.656 1.00 1.24 H new ATOM 0 HB2 MET A 163 10.799 -13.293 -3.271 1.00 1.46 H new ATOM 0 HB3 MET A 163 9.589 -13.645 -4.489 1.00 1.46 H new ATOM 0 HG2 MET A 163 11.058 -12.529 -6.198 1.00 2.02 H new ATOM 0 HG3 MET A 163 12.283 -12.327 -4.961 1.00 2.02 H new ATOM 0 HE1 MET A 163 13.663 -15.226 -7.284 1.00 2.50 H new ATOM 0 HE2 MET A 163 12.656 -13.852 -7.797 1.00 2.50 H new ATOM 0 HE3 MET A 163 13.974 -13.602 -6.629 1.00 2.50 H new ATOM 393 N MET A 164 7.998 -11.610 -5.629 1.00 1.04 N ATOM 394 CA MET A 164 7.192 -11.141 -6.735 1.00 0.97 C ATOM 395 C MET A 164 6.855 -9.667 -6.532 1.00 0.83 C ATOM 396 O MET A 164 6.984 -8.858 -7.451 1.00 0.85 O ATOM 397 CB MET A 164 5.915 -11.982 -6.810 1.00 1.04 C ATOM 398 CG MET A 164 5.376 -12.143 -8.212 1.00 1.06 C ATOM 399 SD MET A 164 4.602 -10.645 -8.848 1.00 1.71 S ATOM 400 CE MET A 164 4.204 -11.160 -10.515 1.00 1.81 C ATOM 0 H MET A 164 7.599 -12.411 -5.138 1.00 1.04 H new ATOM 0 HA MET A 164 7.741 -11.243 -7.671 1.00 0.97 H new ATOM 0 HB2 MET A 164 6.115 -12.968 -6.392 1.00 1.04 H new ATOM 0 HB3 MET A 164 5.149 -11.520 -6.187 1.00 1.04 H new ATOM 0 HG2 MET A 164 6.189 -12.435 -8.876 1.00 1.06 H new ATOM 0 HG3 MET A 164 4.648 -12.954 -8.224 1.00 1.06 H new ATOM 0 HE1 MET A 164 3.717 -10.340 -11.043 1.00 1.81 H new ATOM 0 HE2 MET A 164 5.119 -11.436 -11.039 1.00 1.81 H new ATOM 0 HE3 MET A 164 3.533 -12.018 -10.480 1.00 1.81 H new ATOM 410 N ILE A 165 6.464 -9.326 -5.303 1.00 0.75 N ATOM 411 CA ILE A 165 6.155 -7.948 -4.948 1.00 0.65 C ATOM 412 C ILE A 165 7.302 -7.021 -5.310 1.00 0.62 C ATOM 413 O ILE A 165 7.084 -5.978 -5.929 1.00 0.56 O ATOM 414 CB ILE A 165 5.838 -7.781 -3.442 1.00 0.69 C ATOM 415 CG1 ILE A 165 4.480 -8.395 -3.111 1.00 0.74 C ATOM 416 CG2 ILE A 165 5.868 -6.310 -3.035 1.00 0.68 C ATOM 417 CD1 ILE A 165 4.107 -8.273 -1.652 1.00 0.90 C ATOM 0 H ILE A 165 6.355 -9.991 -4.537 1.00 0.75 H new ATOM 0 HA ILE A 165 5.266 -7.682 -5.520 1.00 0.65 H new ATOM 0 HB ILE A 165 6.607 -8.306 -2.876 1.00 0.69 H new ATOM 0 HG12 ILE A 165 3.713 -7.911 -3.716 1.00 0.74 H new ATOM 0 HG13 ILE A 165 4.488 -9.449 -3.390 1.00 0.74 H new ATOM 0 HG21 ILE A 165 5.642 -6.222 -1.972 1.00 0.68 H new ATOM 0 HG22 ILE A 165 6.858 -5.898 -3.231 1.00 0.68 H new ATOM 0 HG23 ILE A 165 5.125 -5.758 -3.611 1.00 0.68 H new ATOM 0 HD11 ILE A 165 3.131 -8.730 -1.487 1.00 0.90 H new ATOM 0 HD12 ILE A 165 4.854 -8.781 -1.042 1.00 0.90 H new ATOM 0 HD13 ILE A 165 4.067 -7.220 -1.374 1.00 0.90 H new ATOM 429 N SER A 166 8.536 -7.402 -4.985 1.00 0.71 N ATOM 430 CA SER A 166 9.650 -6.502 -5.170 1.00 0.73 C ATOM 431 C SER A 166 9.975 -6.402 -6.655 1.00 0.65 C ATOM 432 O SER A 166 10.063 -5.311 -7.197 1.00 0.65 O ATOM 433 CB SER A 166 10.861 -7.011 -4.382 1.00 0.87 C ATOM 434 OG SER A 166 11.819 -5.988 -4.175 1.00 1.94 O ATOM 0 H SER A 166 8.778 -8.315 -4.599 1.00 0.71 H new ATOM 0 HA SER A 166 9.391 -5.510 -4.800 1.00 0.73 H new ATOM 0 HB2 SER A 166 10.531 -7.401 -3.419 1.00 0.87 H new ATOM 0 HB3 SER A 166 11.323 -7.839 -4.920 1.00 0.87 H new ATOM 0 HG SER A 166 11.859 -5.765 -3.222 1.00 1.94 H new ATOM 440 N SER A 167 10.135 -7.555 -7.307 1.00 0.70 N ATOM 441 CA SER A 167 10.358 -7.624 -8.756 1.00 0.63 C ATOM 442 C SER A 167 9.327 -6.802 -9.545 1.00 0.50 C ATOM 443 O SER A 167 9.639 -6.243 -10.599 1.00 0.71 O ATOM 444 CB SER A 167 10.324 -9.090 -9.205 1.00 0.78 C ATOM 445 OG SER A 167 10.634 -9.226 -10.581 1.00 1.37 O ATOM 0 H SER A 167 10.114 -8.466 -6.849 1.00 0.70 H new ATOM 0 HA SER A 167 11.336 -7.191 -8.966 1.00 0.63 H new ATOM 0 HB2 SER A 167 11.034 -9.668 -8.614 1.00 0.78 H new ATOM 0 HB3 SER A 167 9.335 -9.506 -9.012 1.00 0.78 H new ATOM 0 HG SER A 167 10.604 -10.173 -10.831 1.00 1.37 H new ATOM 451 N GLU A 168 8.139 -6.636 -8.981 1.00 0.56 N ATOM 452 CA GLU A 168 7.052 -5.996 -9.707 1.00 0.44 C ATOM 453 C GLU A 168 7.235 -4.491 -9.628 1.00 0.34 C ATOM 454 O GLU A 168 7.059 -3.768 -10.609 1.00 0.48 O ATOM 455 CB GLU A 168 5.690 -6.402 -9.126 1.00 0.53 C ATOM 456 CG GLU A 168 4.504 -5.725 -9.801 1.00 0.95 C ATOM 457 CD GLU A 168 4.564 -5.809 -11.313 1.00 1.02 C ATOM 458 OE1 GLU A 168 4.792 -6.918 -11.842 1.00 1.26 O ATOM 459 OE2 GLU A 168 4.347 -4.779 -11.985 1.00 1.21 O ATOM 0 H GLU A 168 7.905 -6.932 -8.033 1.00 0.56 H new ATOM 0 HA GLU A 168 7.074 -6.318 -10.748 1.00 0.44 H new ATOM 0 HB2 GLU A 168 5.577 -7.483 -9.213 1.00 0.53 H new ATOM 0 HB3 GLU A 168 5.674 -6.164 -8.062 1.00 0.53 H new ATOM 0 HG2 GLU A 168 3.581 -6.187 -9.452 1.00 0.95 H new ATOM 0 HG3 GLU A 168 4.470 -4.678 -9.501 1.00 0.95 H new ATOM 466 N LEU A 169 7.636 -4.040 -8.454 1.00 0.36 N ATOM 467 CA LEU A 169 7.826 -2.628 -8.189 1.00 0.45 C ATOM 468 C LEU A 169 9.177 -2.163 -8.727 1.00 0.50 C ATOM 469 O LEU A 169 9.313 -1.068 -9.272 1.00 0.50 O ATOM 470 CB LEU A 169 7.778 -2.398 -6.680 1.00 0.54 C ATOM 471 CG LEU A 169 6.553 -2.974 -5.965 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.595 -2.627 -4.491 1.00 0.66 C ATOM 473 CD2 LEU A 169 5.259 -2.489 -6.593 1.00 0.47 C ATOM 0 H LEU A 169 7.839 -4.644 -7.657 1.00 0.36 H new ATOM 0 HA LEU A 169 7.037 -2.061 -8.683 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.674 -2.831 -6.235 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.816 -1.325 -6.492 1.00 0.54 H new ATOM 0 HG LEU A 169 6.582 -4.058 -6.073 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.718 -3.043 -3.994 1.00 0.66 H new ATOM 0 HD12 LEU A 169 7.497 -3.045 -4.044 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.600 -1.543 -4.372 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.412 -2.919 -6.059 1.00 0.47 H new ATOM 0 HD22 LEU A 169 5.211 -1.402 -6.534 1.00 0.47 H new ATOM 0 HD23 LEU A 169 5.224 -2.798 -7.638 1.00 0.47 H new ATOM 485 N ALA A 170 10.163 -3.031 -8.581 1.00 0.55 N ATOM 486 CA ALA A 170 11.551 -2.708 -8.870 1.00 0.60 C ATOM 487 C ALA A 170 11.895 -2.858 -10.345 1.00 0.59 C ATOM 488 O ALA A 170 12.960 -2.413 -10.776 1.00 0.64 O ATOM 489 CB ALA A 170 12.468 -3.568 -8.022 1.00 0.62 C ATOM 0 H ALA A 170 10.023 -3.988 -8.256 1.00 0.55 H new ATOM 0 HA ALA A 170 11.698 -1.657 -8.620 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.506 -3.321 -8.244 1.00 0.62 H new ATOM 0 HB2 ALA A 170 12.268 -3.382 -6.967 1.00 0.62 H new ATOM 0 HB3 ALA A 170 12.290 -4.620 -8.245 1.00 0.62 H new ATOM 495 N LYS A 171 11.017 -3.472 -11.133 1.00 0.55 N ATOM 496 CA LYS A 171 11.281 -3.584 -12.558 1.00 0.59 C ATOM 497 C LYS A 171 10.727 -2.355 -13.279 1.00 0.64 C ATOM 498 O LYS A 171 10.802 -2.243 -14.504 1.00 0.78 O ATOM 499 CB LYS A 171 10.698 -4.879 -13.133 1.00 0.58 C ATOM 500 CG LYS A 171 9.198 -4.866 -13.391 1.00 0.63 C ATOM 501 CD LYS A 171 8.734 -6.231 -13.879 1.00 0.67 C ATOM 502 CE LYS A 171 7.411 -6.155 -14.617 1.00 0.96 C ATOM 503 NZ LYS A 171 6.296 -5.684 -13.757 1.00 0.93 N ATOM 0 H LYS A 171 10.141 -3.888 -10.818 1.00 0.55 H new ATOM 0 HA LYS A 171 12.359 -3.626 -12.714 1.00 0.59 H new ATOM 0 HB2 LYS A 171 11.208 -5.101 -14.070 1.00 0.58 H new ATOM 0 HB3 LYS A 171 10.924 -5.695 -12.446 1.00 0.58 H new ATOM 0 HG2 LYS A 171 8.667 -4.599 -12.477 1.00 0.63 H new ATOM 0 HG3 LYS A 171 8.956 -4.105 -14.133 1.00 0.63 H new ATOM 0 HD2 LYS A 171 9.491 -6.657 -14.537 1.00 0.67 H new ATOM 0 HD3 LYS A 171 8.636 -6.905 -13.028 1.00 0.67 H new ATOM 0 HE2 LYS A 171 7.514 -5.484 -15.469 1.00 0.96 H new ATOM 0 HE3 LYS A 171 7.165 -7.140 -15.015 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 5.515 -5.346 -14.355 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 5.962 -6.468 -13.162 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 6.629 -4.907 -13.151 1.00 0.93 H new ATOM 517 N LYS A 172 10.174 -1.433 -12.497 1.00 0.60 N ATOM 518 CA LYS A 172 9.637 -0.184 -13.022 1.00 0.64 C ATOM 519 C LYS A 172 10.656 0.937 -12.832 1.00 0.54 C ATOM 520 O LYS A 172 11.457 0.899 -11.896 1.00 0.62 O ATOM 521 CB LYS A 172 8.334 0.186 -12.299 1.00 0.80 C ATOM 522 CG LYS A 172 7.258 -0.883 -12.371 1.00 0.78 C ATOM 523 CD LYS A 172 5.967 -0.419 -11.716 1.00 0.67 C ATOM 524 CE LYS A 172 5.017 -1.581 -11.465 1.00 0.91 C ATOM 525 NZ LYS A 172 4.655 -2.296 -12.717 1.00 1.40 N ATOM 0 H LYS A 172 10.086 -1.531 -11.486 1.00 0.60 H new ATOM 0 HA LYS A 172 9.429 -0.315 -14.084 1.00 0.64 H new ATOM 0 HB2 LYS A 172 8.558 0.391 -11.252 1.00 0.80 H new ATOM 0 HB3 LYS A 172 7.943 1.109 -12.728 1.00 0.80 H new ATOM 0 HG2 LYS A 172 7.067 -1.139 -13.413 1.00 0.78 H new ATOM 0 HG3 LYS A 172 7.611 -1.790 -11.880 1.00 0.78 H new ATOM 0 HD2 LYS A 172 6.195 0.076 -10.772 1.00 0.67 H new ATOM 0 HD3 LYS A 172 5.480 0.319 -12.353 1.00 0.67 H new ATOM 0 HE2 LYS A 172 5.480 -2.282 -10.770 1.00 0.91 H new ATOM 0 HE3 LYS A 172 4.111 -1.209 -10.987 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 3.645 -2.151 -12.920 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 5.223 -1.925 -13.505 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 4.843 -3.313 -12.603 1.00 1.40 H new ATOM 539 N PRO A 173 10.639 1.944 -13.722 1.00 0.47 N ATOM 540 CA PRO A 173 11.540 3.106 -13.637 1.00 0.42 C ATOM 541 C PRO A 173 11.401 3.852 -12.310 1.00 0.35 C ATOM 542 O PRO A 173 10.293 4.058 -11.811 1.00 0.35 O ATOM 543 CB PRO A 173 11.078 3.999 -14.795 1.00 0.43 C ATOM 544 CG PRO A 173 10.390 3.078 -15.742 1.00 0.62 C ATOM 545 CD PRO A 173 9.744 2.028 -14.892 1.00 0.53 C ATOM 0 HA PRO A 173 12.588 2.812 -13.695 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.404 4.781 -14.445 1.00 0.43 H new ATOM 0 HB3 PRO A 173 11.923 4.496 -15.272 1.00 0.43 H new ATOM 0 HG2 PRO A 173 9.648 3.611 -16.337 1.00 0.62 H new ATOM 0 HG3 PRO A 173 11.099 2.634 -16.441 1.00 0.62 H new ATOM 0 HD2 PRO A 173 8.731 2.310 -14.605 1.00 0.53 H new ATOM 0 HD3 PRO A 173 9.674 1.074 -15.415 1.00 0.53 H new ATOM 553 N LYS A 174 12.558 4.233 -11.751 1.00 0.34 N ATOM 554 CA LYS A 174 12.660 4.907 -10.450 1.00 0.36 C ATOM 555 C LYS A 174 11.639 6.029 -10.259 1.00 0.32 C ATOM 556 O LYS A 174 11.186 6.261 -9.140 1.00 0.34 O ATOM 557 CB LYS A 174 14.080 5.460 -10.261 1.00 0.43 C ATOM 558 CG LYS A 174 14.275 6.250 -8.973 1.00 0.59 C ATOM 559 CD LYS A 174 15.693 6.798 -8.851 1.00 0.82 C ATOM 560 CE LYS A 174 15.825 7.739 -7.659 1.00 1.58 C ATOM 561 NZ LYS A 174 17.222 8.210 -7.456 1.00 2.38 N ATOM 0 H LYS A 174 13.462 4.079 -12.197 1.00 0.34 H new ATOM 0 HA LYS A 174 12.438 4.154 -9.694 1.00 0.36 H new ATOM 0 HB2 LYS A 174 14.786 4.630 -10.276 1.00 0.43 H new ATOM 0 HB3 LYS A 174 14.324 6.101 -11.108 1.00 0.43 H new ATOM 0 HG2 LYS A 174 13.563 7.075 -8.942 1.00 0.59 H new ATOM 0 HG3 LYS A 174 14.059 5.610 -8.118 1.00 0.59 H new ATOM 0 HD2 LYS A 174 16.396 5.972 -8.744 1.00 0.82 H new ATOM 0 HD3 LYS A 174 15.960 7.327 -9.766 1.00 0.82 H new ATOM 0 HE2 LYS A 174 15.173 8.600 -7.806 1.00 1.58 H new ATOM 0 HE3 LYS A 174 15.482 7.229 -6.758 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 17.258 8.846 -6.634 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 17.843 7.393 -7.288 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 17.543 8.721 -8.303 1.00 2.38 H new ATOM 575 N GLU A 175 11.275 6.740 -11.317 1.00 0.31 N ATOM 576 CA GLU A 175 10.311 7.818 -11.163 1.00 0.34 C ATOM 577 C GLU A 175 8.968 7.295 -10.650 1.00 0.29 C ATOM 578 O GLU A 175 8.327 7.953 -9.843 1.00 0.33 O ATOM 579 CB GLU A 175 10.102 8.592 -12.462 1.00 0.46 C ATOM 580 CG GLU A 175 9.319 9.878 -12.239 1.00 0.74 C ATOM 581 CD GLU A 175 8.986 10.609 -13.516 1.00 0.83 C ATOM 582 OE1 GLU A 175 9.915 11.122 -14.170 1.00 1.27 O ATOM 583 OE2 GLU A 175 7.789 10.710 -13.848 1.00 1.48 O ATOM 0 H GLU A 175 11.621 6.596 -12.266 1.00 0.31 H new ATOM 0 HA GLU A 175 10.729 8.502 -10.425 1.00 0.34 H new ATOM 0 HB2 GLU A 175 11.070 8.829 -12.903 1.00 0.46 H new ATOM 0 HB3 GLU A 175 9.571 7.964 -13.177 1.00 0.46 H new ATOM 0 HG2 GLU A 175 8.394 9.644 -11.712 1.00 0.74 H new ATOM 0 HG3 GLU A 175 9.897 10.538 -11.592 1.00 0.74 H new ATOM 590 N VAL A 176 8.546 6.120 -11.123 1.00 0.27 N ATOM 591 CA VAL A 176 7.283 5.511 -10.683 1.00 0.26 C ATOM 592 C VAL A 176 7.185 5.421 -9.167 1.00 0.25 C ATOM 593 O VAL A 176 6.233 5.929 -8.572 1.00 0.29 O ATOM 594 CB VAL A 176 7.085 4.100 -11.281 1.00 0.26 C ATOM 595 CG1 VAL A 176 6.061 3.286 -10.483 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.658 4.220 -12.728 1.00 0.32 C ATOM 0 H VAL A 176 9.059 5.569 -11.811 1.00 0.27 H new ATOM 0 HA VAL A 176 6.495 6.170 -11.049 1.00 0.26 H new ATOM 0 HB VAL A 176 8.034 3.567 -11.225 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.949 2.300 -10.934 1.00 0.26 H new ATOM 0 HG12 VAL A 176 6.404 3.178 -9.454 1.00 0.26 H new ATOM 0 HG13 VAL A 176 5.100 3.801 -10.492 1.00 0.26 H new ATOM 0 HG21 VAL A 176 6.518 3.225 -13.150 1.00 0.32 H new ATOM 0 HG22 VAL A 176 5.721 4.774 -12.786 1.00 0.32 H new ATOM 0 HG23 VAL A 176 7.427 4.748 -13.292 1.00 0.32 H new ATOM 606 N GLN A 177 8.168 4.777 -8.551 1.00 0.23 N ATOM 607 CA GLN A 177 8.154 4.588 -7.110 1.00 0.28 C ATOM 608 C GLN A 177 8.130 5.933 -6.403 1.00 0.32 C ATOM 609 O GLN A 177 7.450 6.094 -5.407 1.00 0.37 O ATOM 610 CB GLN A 177 9.355 3.753 -6.654 1.00 0.30 C ATOM 611 CG GLN A 177 10.689 4.290 -7.139 1.00 0.45 C ATOM 612 CD GLN A 177 11.732 3.218 -7.378 1.00 0.87 C ATOM 613 OE1 GLN A 177 11.309 2.056 -7.860 1.00 1.79 O flip ATOM 614 NE2 GLN A 177 12.924 3.444 -7.162 1.00 0.96 N flip ATOM 0 H GLN A 177 8.979 4.380 -9.025 1.00 0.23 H new ATOM 0 HA GLN A 177 7.249 4.041 -6.844 1.00 0.28 H new ATOM 0 HB2 GLN A 177 9.364 3.710 -5.565 1.00 0.30 H new ATOM 0 HB3 GLN A 177 9.233 2.731 -7.012 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.532 4.843 -8.065 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.072 4.999 -6.405 1.00 0.45 H new ATOM 0 HE21 GLN A 177 13.212 4.349 -6.791 1.00 0.96 H new ATOM 0 HE22 GLN A 177 13.622 2.726 -7.354 1.00 0.96 H new ATOM 623 N LEU A 178 8.839 6.907 -6.953 1.00 0.35 N ATOM 624 CA LEU A 178 8.913 8.230 -6.350 1.00 0.39 C ATOM 625 C LEU A 178 7.589 8.971 -6.506 1.00 0.39 C ATOM 626 O LEU A 178 7.116 9.599 -5.566 1.00 0.46 O ATOM 627 CB LEU A 178 10.047 9.026 -6.988 1.00 0.44 C ATOM 628 CG LEU A 178 11.409 8.328 -6.961 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.478 9.219 -7.562 1.00 0.58 C ATOM 630 CD2 LEU A 178 11.783 7.915 -5.544 1.00 0.55 C ATOM 0 H LEU A 178 9.372 6.806 -7.817 1.00 0.35 H new ATOM 0 HA LEU A 178 9.113 8.117 -5.284 1.00 0.39 H new ATOM 0 HB2 LEU A 178 9.784 9.241 -8.024 1.00 0.44 H new ATOM 0 HB3 LEU A 178 10.134 9.984 -6.475 1.00 0.44 H new ATOM 0 HG LEU A 178 11.338 7.424 -7.566 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.439 8.705 -7.533 1.00 0.58 H new ATOM 0 HD12 LEU A 178 12.220 9.450 -8.596 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.545 10.144 -6.990 1.00 0.58 H new ATOM 0 HD21 LEU A 178 12.755 7.421 -5.553 1.00 0.55 H new ATOM 0 HD22 LEU A 178 11.831 8.799 -4.908 1.00 0.55 H new ATOM 0 HD23 LEU A 178 11.031 7.228 -5.155 1.00 0.55 H new ATOM 642 N LYS A 179 6.996 8.885 -7.693 1.00 0.36 N ATOM 643 CA LYS A 179 5.702 9.504 -7.957 1.00 0.40 C ATOM 644 C LYS A 179 4.644 8.928 -7.029 1.00 0.31 C ATOM 645 O LYS A 179 3.938 9.668 -6.331 1.00 0.29 O ATOM 646 CB LYS A 179 5.296 9.307 -9.426 1.00 0.49 C ATOM 647 CG LYS A 179 6.077 10.186 -10.394 1.00 0.98 C ATOM 648 CD LYS A 179 5.875 11.665 -10.091 1.00 1.00 C ATOM 649 CE LYS A 179 6.685 12.558 -11.022 1.00 1.36 C ATOM 650 NZ LYS A 179 6.289 12.410 -12.447 1.00 1.52 N ATOM 0 H LYS A 179 7.394 8.390 -8.491 1.00 0.36 H new ATOM 0 HA LYS A 179 5.786 10.574 -7.768 1.00 0.40 H new ATOM 0 HB2 LYS A 179 5.442 8.262 -9.698 1.00 0.49 H new ATOM 0 HB3 LYS A 179 4.232 9.519 -9.532 1.00 0.49 H new ATOM 0 HG2 LYS A 179 7.138 9.943 -10.334 1.00 0.98 H new ATOM 0 HG3 LYS A 179 5.759 9.976 -11.415 1.00 0.98 H new ATOM 0 HD2 LYS A 179 4.817 11.912 -10.183 1.00 1.00 H new ATOM 0 HD3 LYS A 179 6.161 11.865 -9.058 1.00 1.00 H new ATOM 0 HE2 LYS A 179 6.560 13.598 -10.721 1.00 1.36 H new ATOM 0 HE3 LYS A 179 7.744 12.320 -10.917 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 6.574 13.259 -12.976 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 6.758 11.575 -12.853 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 5.258 12.292 -12.510 1.00 1.52 H new ATOM 664 N PHE A 180 4.569 7.603 -7.005 1.00 0.29 N ATOM 665 CA PHE A 180 3.654 6.901 -6.124 1.00 0.23 C ATOM 666 C PHE A 180 3.928 7.288 -4.679 1.00 0.22 C ATOM 667 O PHE A 180 3.027 7.730 -3.970 1.00 0.23 O ATOM 668 CB PHE A 180 3.795 5.378 -6.302 1.00 0.19 C ATOM 669 CG PHE A 180 2.942 4.569 -5.358 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.394 4.276 -4.082 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.686 4.112 -5.740 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.617 3.551 -3.204 1.00 0.17 C ATOM 673 CE2 PHE A 180 0.908 3.383 -4.864 1.00 0.29 C ATOM 674 CZ PHE A 180 1.373 3.107 -3.595 1.00 0.23 C ATOM 0 H PHE A 180 5.137 6.992 -7.592 1.00 0.29 H new ATOM 0 HA PHE A 180 2.634 7.185 -6.381 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.533 5.116 -7.327 1.00 0.19 H new ATOM 0 HB3 PHE A 180 4.840 5.101 -6.160 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.369 4.620 -3.770 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.316 4.329 -6.731 1.00 0.26 H new ATOM 0 HE1 PHE A 180 2.983 3.332 -2.212 1.00 0.17 H new ATOM 0 HE2 PHE A 180 -0.065 3.029 -5.172 1.00 0.29 H new ATOM 0 HZ PHE A 180 0.761 2.542 -2.907 1.00 0.23 H new ATOM 684 N LEU A 181 5.185 7.144 -4.262 1.00 0.25 N ATOM 685 CA LEU A 181 5.558 7.385 -2.878 1.00 0.27 C ATOM 686 C LEU A 181 5.318 8.820 -2.435 1.00 0.29 C ATOM 687 O LEU A 181 4.900 9.020 -1.305 1.00 0.29 O ATOM 688 CB LEU A 181 7.011 6.991 -2.587 1.00 0.31 C ATOM 689 CG LEU A 181 7.333 5.492 -2.638 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.771 5.261 -2.213 1.00 0.37 C ATOM 691 CD2 LEU A 181 6.377 4.711 -1.748 1.00 0.29 C ATOM 0 H LEU A 181 5.958 6.862 -4.865 1.00 0.25 H new ATOM 0 HA LEU A 181 4.899 6.741 -2.296 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.654 7.503 -3.303 1.00 0.31 H new ATOM 0 HB3 LEU A 181 7.275 7.364 -1.597 1.00 0.31 H new ATOM 0 HG LEU A 181 7.208 5.137 -3.661 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.995 4.195 -2.251 1.00 0.37 H new ATOM 0 HD12 LEU A 181 9.440 5.796 -2.887 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.913 5.626 -1.196 1.00 0.37 H new ATOM 0 HD21 LEU A 181 6.620 3.650 -1.796 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.472 5.058 -0.719 1.00 0.29 H new ATOM 0 HD23 LEU A 181 5.354 4.865 -2.090 1.00 0.29 H new ATOM 703 N GLN A 182 5.560 9.824 -3.285 1.00 0.31 N ATOM 704 CA GLN A 182 5.358 11.217 -2.885 1.00 0.35 C ATOM 705 C GLN A 182 3.906 11.462 -2.561 1.00 0.29 C ATOM 706 O GLN A 182 3.548 11.804 -1.434 1.00 0.31 O ATOM 707 CB GLN A 182 5.750 12.173 -4.019 1.00 0.48 C ATOM 708 CG GLN A 182 7.242 12.306 -4.270 1.00 0.78 C ATOM 709 CD GLN A 182 7.962 13.045 -3.165 1.00 1.22 C ATOM 710 OE1 GLN A 182 7.384 13.877 -2.472 1.00 1.83 O ATOM 711 NE2 GLN A 182 9.243 12.768 -3.022 1.00 1.51 N ATOM 0 H GLN A 182 5.892 9.699 -4.241 1.00 0.31 H new ATOM 0 HA GLN A 182 5.982 11.399 -2.010 1.00 0.35 H new ATOM 0 HB2 GLN A 182 5.272 11.835 -4.939 1.00 0.48 H new ATOM 0 HB3 GLN A 182 5.347 13.161 -3.795 1.00 0.48 H new ATOM 0 HG2 GLN A 182 7.677 11.312 -4.379 1.00 0.78 H new ATOM 0 HG3 GLN A 182 7.401 12.829 -5.213 1.00 0.78 H new ATOM 0 HE21 GLN A 182 9.683 12.069 -3.620 1.00 1.51 H new ATOM 0 HE22 GLN A 182 9.794 13.253 -2.313 1.00 1.51 H new ATOM 720 N LYS A 183 3.079 11.274 -3.573 1.00 0.30 N ATOM 721 CA LYS A 183 1.658 11.530 -3.453 1.00 0.36 C ATOM 722 C LYS A 183 1.046 10.670 -2.352 1.00 0.25 C ATOM 723 O LYS A 183 0.196 11.134 -1.593 1.00 0.27 O ATOM 724 CB LYS A 183 0.977 11.295 -4.804 1.00 0.57 C ATOM 725 CG LYS A 183 -0.478 10.886 -4.701 1.00 0.92 C ATOM 726 CD LYS A 183 -1.226 11.142 -6.004 1.00 1.07 C ATOM 727 CE LYS A 183 -0.679 10.310 -7.156 1.00 0.72 C ATOM 728 NZ LYS A 183 -1.322 10.668 -8.451 1.00 1.46 N ATOM 0 H LYS A 183 3.371 10.943 -4.492 1.00 0.30 H new ATOM 0 HA LYS A 183 1.501 12.571 -3.170 1.00 0.36 H new ATOM 0 HB2 LYS A 183 1.046 12.207 -5.397 1.00 0.57 H new ATOM 0 HB3 LYS A 183 1.523 10.522 -5.344 1.00 0.57 H new ATOM 0 HG2 LYS A 183 -0.542 9.828 -4.446 1.00 0.92 H new ATOM 0 HG3 LYS A 183 -0.956 11.439 -3.892 1.00 0.92 H new ATOM 0 HD2 LYS A 183 -2.283 10.915 -5.864 1.00 1.07 H new ATOM 0 HD3 LYS A 183 -1.158 12.200 -6.258 1.00 1.07 H new ATOM 0 HE2 LYS A 183 0.398 10.458 -7.232 1.00 0.72 H new ATOM 0 HE3 LYS A 183 -0.842 9.252 -6.950 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -0.772 10.263 -9.235 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 -2.290 10.288 -8.475 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -1.354 11.703 -8.548 1.00 1.46 H new ATOM 742 N PHE A 184 1.494 9.424 -2.268 1.00 0.21 N ATOM 743 CA PHE A 184 1.039 8.519 -1.220 1.00 0.21 C ATOM 744 C PHE A 184 1.444 9.045 0.157 1.00 0.22 C ATOM 745 O PHE A 184 0.618 9.141 1.056 1.00 0.25 O ATOM 746 CB PHE A 184 1.605 7.114 -1.428 1.00 0.22 C ATOM 747 CG PHE A 184 0.911 6.075 -0.603 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.295 5.558 -1.031 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.448 5.627 0.594 1.00 0.29 C ATOM 750 CE1 PHE A 184 -0.958 4.610 -0.289 1.00 0.22 C ATOM 751 CE2 PHE A 184 0.788 4.675 1.346 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.418 4.167 0.904 1.00 0.26 C ATOM 0 H PHE A 184 2.172 9.017 -2.913 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.048 8.466 -1.272 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.523 6.848 -2.482 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.667 7.116 -1.182 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -0.723 5.903 -1.961 1.00 0.21 H new ATOM 0 HD2 PHE A 184 2.390 6.026 0.941 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -1.899 4.212 -0.637 1.00 0.22 H new ATOM 0 HE2 PHE A 184 1.213 4.329 2.276 1.00 0.32 H new ATOM 0 HZ PHE A 184 -0.939 3.424 1.490 1.00 0.26 H new ATOM 762 N GLN A 185 2.726 9.363 0.302 1.00 0.24 N ATOM 763 CA GLN A 185 3.281 9.920 1.539 1.00 0.30 C ATOM 764 C GLN A 185 2.485 11.144 2.015 1.00 0.32 C ATOM 765 O GLN A 185 2.246 11.312 3.212 1.00 0.39 O ATOM 766 CB GLN A 185 4.752 10.280 1.296 1.00 0.35 C ATOM 767 CG GLN A 185 5.613 10.404 2.543 1.00 0.64 C ATOM 768 CD GLN A 185 5.579 11.783 3.155 1.00 0.53 C ATOM 769 OE1 GLN A 185 5.320 12.773 2.473 1.00 1.22 O ATOM 770 NE2 GLN A 185 5.885 11.866 4.437 1.00 0.82 N ATOM 0 H GLN A 185 3.417 9.242 -0.438 1.00 0.24 H new ATOM 0 HA GLN A 185 3.210 9.175 2.331 1.00 0.30 H new ATOM 0 HB2 GLN A 185 5.191 9.522 0.647 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.791 11.225 0.754 1.00 0.35 H new ATOM 0 HG2 GLN A 185 5.277 9.677 3.282 1.00 0.64 H new ATOM 0 HG3 GLN A 185 6.643 10.150 2.292 1.00 0.64 H new ATOM 0 HE21 GLN A 185 6.093 11.020 4.967 1.00 0.82 H new ATOM 0 HE22 GLN A 185 5.913 12.776 4.897 1.00 0.82 H new ATOM 779 N GLU A 186 2.069 11.997 1.086 1.00 0.29 N ATOM 780 CA GLU A 186 1.249 13.151 1.440 1.00 0.33 C ATOM 781 C GLU A 186 -0.177 12.713 1.779 1.00 0.31 C ATOM 782 O GLU A 186 -0.730 13.111 2.808 1.00 0.35 O ATOM 783 CB GLU A 186 1.248 14.180 0.309 1.00 0.37 C ATOM 784 CG GLU A 186 2.640 14.676 -0.045 1.00 1.12 C ATOM 785 CD GLU A 186 2.614 15.897 -0.935 1.00 1.57 C ATOM 786 OE1 GLU A 186 2.361 15.740 -2.148 1.00 1.79 O ATOM 787 OE2 GLU A 186 2.863 17.015 -0.436 1.00 2.39 O ATOM 0 H GLU A 186 2.283 11.914 0.092 1.00 0.29 H new ATOM 0 HA GLU A 186 1.680 13.621 2.324 1.00 0.33 H new ATOM 0 HB2 GLU A 186 0.790 13.738 -0.576 1.00 0.37 H new ATOM 0 HB3 GLU A 186 0.629 15.029 0.598 1.00 0.37 H new ATOM 0 HG2 GLU A 186 3.182 14.911 0.871 1.00 1.12 H new ATOM 0 HG3 GLU A 186 3.189 13.878 -0.545 1.00 1.12 H new ATOM 794 N TRP A 187 -0.760 11.915 0.892 1.00 0.26 N ATOM 795 CA TRP A 187 -2.060 11.278 1.120 1.00 0.26 C ATOM 796 C TRP A 187 -2.165 10.689 2.530 1.00 0.26 C ATOM 797 O TRP A 187 -3.137 10.940 3.238 1.00 0.28 O ATOM 798 CB TRP A 187 -2.293 10.187 0.061 1.00 0.24 C ATOM 799 CG TRP A 187 -3.519 9.334 0.276 1.00 0.23 C ATOM 800 CD1 TRP A 187 -4.804 9.610 -0.115 1.00 0.30 C ATOM 801 CD2 TRP A 187 -3.564 8.043 0.901 1.00 0.20 C ATOM 802 NE1 TRP A 187 -5.635 8.588 0.256 1.00 0.28 N ATOM 803 CE2 TRP A 187 -4.905 7.614 0.876 1.00 0.21 C ATOM 804 CE3 TRP A 187 -2.607 7.212 1.492 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.308 6.393 1.410 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.009 5.999 2.017 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.350 5.602 1.975 1.00 0.23 C ATOM 0 H TRP A 187 -0.345 11.688 -0.012 1.00 0.26 H new ATOM 0 HA TRP A 187 -2.833 12.042 1.031 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.368 10.663 -0.917 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.418 9.537 0.033 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.114 10.502 -0.638 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -6.642 8.558 0.095 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.571 7.513 1.537 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.342 6.083 1.378 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.276 5.346 2.467 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -4.633 4.650 2.399 1.00 0.23 H new ATOM 818 N THR A 188 -1.156 9.935 2.949 1.00 0.25 N ATOM 819 CA THR A 188 -1.203 9.265 4.242 1.00 0.27 C ATOM 820 C THR A 188 -0.954 10.240 5.399 1.00 0.29 C ATOM 821 O THR A 188 -1.387 9.989 6.524 1.00 0.32 O ATOM 822 CB THR A 188 -0.202 8.086 4.337 1.00 0.29 C ATOM 823 OG1 THR A 188 -0.315 7.461 5.618 1.00 1.21 O ATOM 824 CG2 THR A 188 1.233 8.545 4.139 1.00 1.00 C ATOM 0 H THR A 188 -0.301 9.773 2.417 1.00 0.25 H new ATOM 0 HA THR A 188 -2.212 8.863 4.328 1.00 0.27 H new ATOM 0 HB THR A 188 -0.449 7.381 3.543 1.00 0.29 H new ATOM 0 HG1 THR A 188 0.498 6.947 5.804 1.00 1.21 H new ATOM 0 HG21 THR A 188 1.903 7.688 4.213 1.00 1.00 H new ATOM 0 HG22 THR A 188 1.336 9.002 3.155 1.00 1.00 H new ATOM 0 HG23 THR A 188 1.491 9.274 4.907 1.00 1.00 H new ATOM 832 N ARG A 189 -0.251 11.342 5.136 1.00 0.28 N ATOM 833 CA ARG A 189 -0.025 12.353 6.168 1.00 0.34 C ATOM 834 C ARG A 189 -1.293 13.144 6.440 1.00 0.36 C ATOM 835 O ARG A 189 -1.637 13.400 7.592 1.00 0.42 O ATOM 836 CB ARG A 189 1.105 13.313 5.780 1.00 0.38 C ATOM 837 CG ARG A 189 2.495 12.737 5.999 1.00 0.46 C ATOM 838 CD ARG A 189 3.577 13.793 5.842 1.00 0.63 C ATOM 839 NE ARG A 189 3.671 14.273 4.471 1.00 1.26 N ATOM 840 CZ ARG A 189 4.361 15.354 4.101 1.00 1.93 C ATOM 841 NH1 ARG A 189 5.092 16.025 4.987 1.00 2.16 N ATOM 842 NH2 ARG A 189 4.364 15.737 2.830 1.00 2.62 N ATOM 0 H ARG A 189 0.166 11.555 4.230 1.00 0.28 H new ATOM 0 HA ARG A 189 0.268 11.823 7.074 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.995 13.585 4.730 1.00 0.38 H new ATOM 0 HB3 ARG A 189 1.006 14.231 6.359 1.00 0.38 H new ATOM 0 HG2 ARG A 189 2.555 12.302 6.996 1.00 0.46 H new ATOM 0 HG3 ARG A 189 2.670 11.930 5.288 1.00 0.46 H new ATOM 0 HD2 ARG A 189 3.366 14.631 6.506 1.00 0.63 H new ATOM 0 HD3 ARG A 189 4.537 13.378 6.148 1.00 0.63 H new ATOM 0 HE ARG A 189 3.178 13.750 3.747 1.00 1.26 H new ATOM 0 HH11 ARG A 189 5.128 15.714 5.958 1.00 2.16 H new ATOM 0 HH12 ARG A 189 5.616 16.850 4.695 1.00 2.16 H new ATOM 0 HH21 ARG A 189 3.839 15.205 2.136 1.00 2.62 H new ATOM 0 HH22 ARG A 189 4.891 16.563 2.548 1.00 2.62 H new ATOM 856 N ALA A 190 -1.978 13.542 5.378 1.00 0.34 N ATOM 857 CA ALA A 190 -3.215 14.295 5.513 1.00 0.41 C ATOM 858 C ALA A 190 -4.393 13.388 5.861 1.00 0.34 C ATOM 859 O ALA A 190 -5.481 13.869 6.177 1.00 0.40 O ATOM 860 CB ALA A 190 -3.503 15.063 4.233 1.00 0.54 C ATOM 0 H ALA A 190 -1.698 13.356 4.415 1.00 0.34 H new ATOM 0 HA ALA A 190 -3.087 15.000 6.334 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -4.431 15.623 4.346 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -2.685 15.754 4.031 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -3.600 14.363 3.403 1.00 0.54 H new ATOM 866 N HIS A 191 -4.189 12.076 5.784 1.00 0.36 N ATOM 867 CA HIS A 191 -5.252 11.122 6.104 1.00 0.35 C ATOM 868 C HIS A 191 -4.697 9.917 6.856 1.00 0.28 C ATOM 869 O HIS A 191 -4.824 8.794 6.382 1.00 0.33 O ATOM 870 CB HIS A 191 -5.944 10.623 4.828 1.00 0.58 C ATOM 871 CG HIS A 191 -6.387 11.708 3.905 1.00 0.49 C ATOM 872 ND1 HIS A 191 -5.806 12.207 2.790 1.00 0.53 N flip ATOM 873 CD2 HIS A 191 -7.539 12.435 4.094 1.00 0.91 C flip ATOM 874 CE1 HIS A 191 -6.605 13.221 2.329 1.00 0.81 C flip ATOM 875 NE2 HIS A 191 -7.643 13.336 3.136 1.00 1.04 N flip ATOM 0 H HIS A 191 -3.305 11.649 5.505 1.00 0.36 H new ATOM 0 HA HIS A 191 -5.973 11.645 6.732 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -5.261 9.963 4.293 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -6.811 10.025 5.109 1.00 0.58 H new ATOM 0 HD1 HIS A 191 -4.933 11.887 2.369 1.00 0.53 H new ATOM 0 HD2 HIS A 191 -8.246 12.291 4.898 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -6.417 13.824 1.453 1.00 0.81 H new ATOM 884 N PRO A 192 -4.085 10.117 8.039 1.00 0.23 N ATOM 885 CA PRO A 192 -3.474 9.016 8.795 1.00 0.25 C ATOM 886 C PRO A 192 -4.473 7.922 9.155 1.00 0.27 C ATOM 887 O PRO A 192 -4.163 6.733 9.067 1.00 0.40 O ATOM 888 CB PRO A 192 -2.933 9.692 10.063 1.00 0.29 C ATOM 889 CG PRO A 192 -3.637 11.002 10.147 1.00 0.45 C ATOM 890 CD PRO A 192 -3.924 11.408 8.731 1.00 0.24 C ATOM 0 HA PRO A 192 -2.705 8.511 8.210 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -3.129 9.084 10.946 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -1.853 9.830 10.004 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -4.559 10.914 10.722 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -3.018 11.746 10.649 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -4.825 12.018 8.661 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -3.109 11.994 8.307 1.00 0.24 H new ATOM 898 N GLU A 193 -5.675 8.327 9.543 1.00 0.26 N ATOM 899 CA GLU A 193 -6.711 7.378 9.925 1.00 0.32 C ATOM 900 C GLU A 193 -7.192 6.589 8.708 1.00 0.28 C ATOM 901 O GLU A 193 -7.244 5.358 8.742 1.00 0.30 O ATOM 902 CB GLU A 193 -7.880 8.101 10.590 1.00 0.46 C ATOM 903 CG GLU A 193 -8.859 7.156 11.258 1.00 0.66 C ATOM 904 CD GLU A 193 -10.003 7.883 11.928 1.00 1.26 C ATOM 905 OE1 GLU A 193 -9.775 8.986 12.468 1.00 2.02 O ATOM 906 OE2 GLU A 193 -11.134 7.354 11.923 1.00 1.56 O ATOM 0 H GLU A 193 -5.956 9.306 9.601 1.00 0.26 H new ATOM 0 HA GLU A 193 -6.286 6.677 10.643 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -7.493 8.799 11.333 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.408 8.692 9.841 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -9.258 6.466 10.514 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -8.331 6.556 11.999 1.00 0.66 H new ATOM 913 N ASP A 194 -7.524 7.304 7.633 1.00 0.29 N ATOM 914 CA ASP A 194 -7.961 6.672 6.385 1.00 0.30 C ATOM 915 C ASP A 194 -6.890 5.718 5.884 1.00 0.23 C ATOM 916 O ASP A 194 -7.154 4.549 5.598 1.00 0.25 O ATOM 917 CB ASP A 194 -8.218 7.717 5.292 1.00 0.36 C ATOM 918 CG ASP A 194 -9.297 8.726 5.640 1.00 0.52 C ATOM 919 OD1 ASP A 194 -10.494 8.360 5.625 1.00 0.75 O ATOM 920 OD2 ASP A 194 -8.950 9.901 5.896 1.00 0.70 O ATOM 0 H ASP A 194 -7.499 8.323 7.600 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.886 6.136 6.596 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -7.289 8.250 5.089 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -8.499 7.204 4.372 1.00 0.36 H new ATOM 925 N ALA A 195 -5.679 6.247 5.793 1.00 0.20 N ATOM 926 CA ALA A 195 -4.531 5.507 5.292 1.00 0.19 C ATOM 927 C ALA A 195 -4.284 4.232 6.079 1.00 0.16 C ATOM 928 O ALA A 195 -4.252 3.144 5.509 1.00 0.18 O ATOM 929 CB ALA A 195 -3.290 6.377 5.331 1.00 0.25 C ATOM 0 H ALA A 195 -5.464 7.206 6.066 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.754 5.226 4.263 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.438 5.812 4.954 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.444 7.259 4.710 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -3.094 6.686 6.358 1.00 0.25 H new ATOM 935 N ALA A 196 -4.122 4.369 7.387 1.00 0.17 N ATOM 936 CA ALA A 196 -3.786 3.235 8.231 1.00 0.20 C ATOM 937 C ALA A 196 -4.889 2.189 8.209 1.00 0.23 C ATOM 938 O ALA A 196 -4.615 0.993 8.264 1.00 0.27 O ATOM 939 CB ALA A 196 -3.497 3.692 9.646 1.00 0.21 C ATOM 0 H ALA A 196 -4.218 5.254 7.885 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.884 2.771 7.832 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -3.247 2.829 10.263 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.658 4.388 9.639 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -4.377 4.188 10.055 1.00 0.21 H new ATOM 945 N SER A 197 -6.139 2.625 8.116 1.00 0.22 N ATOM 946 CA SER A 197 -7.245 1.682 8.030 1.00 0.30 C ATOM 947 C SER A 197 -7.140 0.867 6.743 1.00 0.25 C ATOM 948 O SER A 197 -7.345 -0.356 6.744 1.00 0.24 O ATOM 949 CB SER A 197 -8.584 2.418 8.095 1.00 0.41 C ATOM 950 OG SER A 197 -8.694 3.166 9.295 1.00 0.96 O ATOM 0 H SER A 197 -6.409 3.608 8.098 1.00 0.22 H new ATOM 0 HA SER A 197 -7.191 1.000 8.879 1.00 0.30 H new ATOM 0 HB2 SER A 197 -8.679 3.084 7.237 1.00 0.41 H new ATOM 0 HB3 SER A 197 -9.401 1.700 8.034 1.00 0.41 H new ATOM 0 HG SER A 197 -8.390 4.084 9.137 1.00 0.96 H new ATOM 956 N LEU A 198 -6.759 1.531 5.654 1.00 0.24 N ATOM 957 CA LEU A 198 -6.630 0.883 4.364 1.00 0.22 C ATOM 958 C LEU A 198 -5.430 -0.052 4.351 1.00 0.19 C ATOM 959 O LEU A 198 -5.537 -1.199 3.938 1.00 0.20 O ATOM 960 CB LEU A 198 -6.472 1.958 3.285 1.00 0.21 C ATOM 961 CG LEU A 198 -6.160 1.450 1.880 1.00 0.22 C ATOM 962 CD1 LEU A 198 -7.281 0.574 1.355 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.924 2.619 0.946 1.00 0.24 C ATOM 0 H LEU A 198 -6.534 2.526 5.647 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.522 0.289 4.167 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.391 2.542 3.244 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.676 2.638 3.590 1.00 0.21 H new ATOM 0 HG LEU A 198 -5.255 0.845 1.929 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -7.032 0.226 0.352 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.412 -0.284 2.015 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -8.206 1.149 1.320 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.702 2.247 -0.054 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.817 3.243 0.911 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -5.083 3.210 1.308 1.00 0.24 H new ATOM 975 N LEU A 199 -4.296 0.447 4.830 1.00 0.18 N ATOM 976 CA LEU A 199 -3.055 -0.317 4.843 1.00 0.21 C ATOM 977 C LEU A 199 -3.193 -1.597 5.665 1.00 0.27 C ATOM 978 O LEU A 199 -2.575 -2.620 5.362 1.00 0.37 O ATOM 979 CB LEU A 199 -1.930 0.540 5.420 1.00 0.21 C ATOM 980 CG LEU A 199 -1.543 1.764 4.594 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.498 2.586 5.326 1.00 0.27 C ATOM 982 CD2 LEU A 199 -1.023 1.343 3.234 1.00 0.31 C ATOM 0 H LEU A 199 -4.211 1.387 5.218 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.822 -0.597 3.816 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -2.225 0.874 6.415 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -1.047 -0.087 5.543 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.432 2.378 4.450 1.00 0.23 H new ATOM 0 HD11 LEU A 199 -0.232 3.455 4.725 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.900 2.917 6.284 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.390 1.977 5.496 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.752 2.228 2.658 1.00 0.31 H new ATOM 0 HD22 LEU A 199 -0.145 0.709 3.360 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.798 0.789 2.704 1.00 0.31 H new ATOM 994 N GLU A 200 -4.002 -1.533 6.706 1.00 0.27 N ATOM 995 CA GLU A 200 -4.135 -2.650 7.620 1.00 0.37 C ATOM 996 C GLU A 200 -4.946 -3.765 6.975 1.00 0.30 C ATOM 997 O GLU A 200 -4.559 -4.935 7.019 1.00 0.37 O ATOM 998 CB GLU A 200 -4.773 -2.181 8.933 1.00 0.54 C ATOM 999 CG GLU A 200 -4.367 -2.994 10.157 1.00 0.91 C ATOM 1000 CD GLU A 200 -5.312 -4.143 10.460 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -6.345 -3.905 11.120 1.00 2.03 O ATOM 1002 OE2 GLU A 200 -5.016 -5.293 10.066 1.00 1.90 O ATOM 0 H GLU A 200 -4.575 -0.722 6.939 1.00 0.27 H new ATOM 0 HA GLU A 200 -3.146 -3.047 7.848 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -4.506 -1.138 9.100 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -5.857 -2.220 8.830 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -3.363 -3.390 10.004 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -4.321 -2.334 11.023 1.00 0.91 H new ATOM 1009 N LEU A 201 -6.048 -3.406 6.336 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.893 -4.419 5.727 1.00 0.25 C ATOM 1011 C LEU A 201 -6.403 -4.757 4.312 1.00 0.23 C ATOM 1012 O LEU A 201 -6.716 -5.820 3.775 1.00 0.33 O ATOM 1013 CB LEU A 201 -8.359 -3.973 5.716 1.00 0.32 C ATOM 1014 CG LEU A 201 -9.354 -5.041 5.253 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -9.197 -6.307 6.084 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.779 -4.519 5.357 1.00 0.48 C ATOM 0 H LEU A 201 -6.372 -2.445 6.227 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.827 -5.325 6.329 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -8.634 -3.652 6.721 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -8.454 -3.103 5.067 1.00 0.32 H new ATOM 0 HG LEU A 201 -9.145 -5.279 4.210 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -9.911 -7.057 5.743 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.184 -6.693 5.971 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.384 -6.079 7.133 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -11.474 -5.290 5.024 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -10.996 -4.257 6.393 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.889 -3.635 4.729 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.629 -3.866 3.708 1.00 0.19 N ATOM 1029 CA CYS A 202 -5.027 -4.119 2.403 1.00 0.20 C ATOM 1030 C CYS A 202 -3.506 -3.986 2.489 1.00 0.24 C ATOM 1031 O CYS A 202 -2.938 -2.935 2.183 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.575 -3.119 1.392 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.370 -3.197 1.187 1.00 0.27 S ATOM 0 H CYS A 202 -5.401 -2.954 4.104 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.273 -5.132 2.086 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -5.298 -2.112 1.704 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -5.100 -3.295 0.427 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.660 -3.267 -0.078 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.819 -5.059 2.898 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.392 -5.005 3.193 1.00 0.36 C ATOM 1041 C PRO A 203 -0.480 -5.081 1.965 1.00 0.28 C ATOM 1042 O PRO A 203 0.743 -4.990 2.108 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.188 -6.217 4.091 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.210 -7.199 3.641 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.380 -6.399 3.126 1.00 0.38 C ATOM 0 HA PRO A 203 -1.122 -4.049 3.642 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -0.180 -6.620 3.989 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -1.323 -5.958 5.141 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -1.809 -7.845 2.860 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -2.515 -7.845 4.464 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -3.782 -6.825 2.207 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.195 -6.373 3.849 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.042 -5.237 0.761 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.200 -5.220 -0.437 1.00 0.26 C ATOM 1055 C GLN A 204 0.355 -3.821 -0.615 1.00 0.19 C ATOM 1056 O GLN A 204 1.439 -3.634 -1.142 1.00 0.25 O ATOM 1057 CB GLN A 204 -0.941 -5.659 -1.715 1.00 0.39 C ATOM 1058 CG GLN A 204 -1.691 -4.535 -2.426 1.00 0.36 C ATOM 1059 CD GLN A 204 -3.129 -4.434 -1.962 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -3.427 -3.750 -0.988 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -4.029 -5.114 -2.657 1.00 1.12 N ATOM 0 H GLN A 204 -2.039 -5.372 0.593 1.00 0.25 H new ATOM 0 HA GLN A 204 0.599 -5.946 -0.288 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -0.220 -6.093 -2.408 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -1.650 -6.446 -1.457 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -1.183 -3.588 -2.244 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -1.668 -4.707 -3.502 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -3.738 -5.671 -3.461 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -5.012 -5.081 -2.388 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.406 -2.851 -0.134 1.00 0.16 N ATOM 1071 CA LEU A 205 -0.022 -1.457 -0.205 1.00 0.15 C ATOM 1072 C LEU A 205 1.062 -1.156 0.828 1.00 0.18 C ATOM 1073 O LEU A 205 2.109 -0.591 0.504 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.274 -0.606 0.021 1.00 0.15 C ATOM 1075 CG LEU A 205 -1.097 0.905 -0.101 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.457 1.269 -1.430 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.447 1.592 0.033 1.00 0.21 C ATOM 0 H LEU A 205 -1.307 -3.012 0.316 1.00 0.16 H new ATOM 0 HA LEU A 205 0.397 -1.222 -1.184 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -2.034 -0.920 -0.694 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.662 -0.826 1.016 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.438 1.243 0.699 1.00 0.19 H new ATOM 0 HD11 LEU A 205 -0.341 2.351 -1.494 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.521 0.794 -1.505 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -1.091 0.923 -2.246 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -2.317 2.671 -0.055 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -3.113 1.242 -0.755 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.880 1.357 1.005 1.00 0.21 H new ATOM 1089 N SER A 206 0.777 -1.507 2.077 1.00 0.24 N ATOM 1090 CA SER A 206 1.775 -1.464 3.146 1.00 0.27 C ATOM 1091 C SER A 206 3.126 -2.021 2.684 1.00 0.22 C ATOM 1092 O SER A 206 4.168 -1.404 2.908 1.00 0.20 O ATOM 1093 CB SER A 206 1.274 -2.253 4.356 1.00 0.35 C ATOM 1094 OG SER A 206 -0.084 -1.946 4.615 1.00 0.60 O ATOM 0 H SER A 206 -0.143 -1.827 2.378 1.00 0.24 H new ATOM 0 HA SER A 206 1.922 -0.420 3.422 1.00 0.27 H new ATOM 0 HB2 SER A 206 1.384 -3.322 4.172 1.00 0.35 H new ATOM 0 HB3 SER A 206 1.881 -2.016 5.230 1.00 0.35 H new ATOM 0 HG SER A 206 -0.493 -2.677 5.124 1.00 0.60 H new ATOM 1100 N PHE A 207 3.110 -3.171 2.018 1.00 0.21 N ATOM 1101 CA PHE A 207 4.346 -3.791 1.561 1.00 0.19 C ATOM 1102 C PHE A 207 4.837 -3.171 0.256 1.00 0.18 C ATOM 1103 O PHE A 207 6.038 -3.136 -0.009 1.00 0.20 O ATOM 1104 CB PHE A 207 4.160 -5.292 1.395 1.00 0.24 C ATOM 1105 CG PHE A 207 5.173 -6.105 2.149 1.00 0.24 C ATOM 1106 CD1 PHE A 207 5.769 -5.611 3.305 1.00 0.25 C ATOM 1107 CD2 PHE A 207 5.520 -7.372 1.711 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.686 -6.371 4.002 1.00 0.26 C ATOM 1109 CE2 PHE A 207 6.434 -8.135 2.410 1.00 0.90 C ATOM 1110 CZ PHE A 207 7.016 -7.634 3.556 1.00 0.63 C ATOM 0 H PHE A 207 2.262 -3.688 1.785 1.00 0.21 H new ATOM 0 HA PHE A 207 5.105 -3.610 2.322 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.161 -5.566 1.733 1.00 0.24 H new ATOM 0 HB3 PHE A 207 4.219 -5.543 0.336 1.00 0.24 H new ATOM 0 HD1 PHE A 207 5.512 -4.624 3.660 1.00 0.25 H new ATOM 0 HD2 PHE A 207 5.071 -7.768 0.812 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.145 -5.977 4.897 1.00 0.26 H new ATOM 0 HE2 PHE A 207 6.693 -9.123 2.060 1.00 0.90 H new ATOM 0 HZ PHE A 207 7.730 -8.231 4.104 1.00 0.63 H new ATOM 1120 N VAL A 208 3.908 -2.684 -0.556 1.00 0.17 N ATOM 1121 CA VAL A 208 4.259 -2.002 -1.798 1.00 0.18 C ATOM 1122 C VAL A 208 5.068 -0.749 -1.476 1.00 0.17 C ATOM 1123 O VAL A 208 6.039 -0.421 -2.158 1.00 0.20 O ATOM 1124 CB VAL A 208 2.992 -1.648 -2.631 1.00 0.25 C ATOM 1125 CG1 VAL A 208 2.691 -0.156 -2.651 1.00 0.34 C ATOM 1126 CG2 VAL A 208 3.137 -2.167 -4.042 1.00 0.46 C ATOM 0 H VAL A 208 2.906 -2.748 -0.378 1.00 0.17 H new ATOM 0 HA VAL A 208 4.864 -2.674 -2.407 1.00 0.18 H new ATOM 0 HB VAL A 208 2.147 -2.133 -2.142 1.00 0.25 H new ATOM 0 HG11 VAL A 208 1.797 0.027 -3.247 1.00 0.34 H new ATOM 0 HG12 VAL A 208 2.526 0.196 -1.633 1.00 0.34 H new ATOM 0 HG13 VAL A 208 3.534 0.379 -3.088 1.00 0.34 H new ATOM 0 HG21 VAL A 208 2.246 -1.914 -4.616 1.00 0.46 H new ATOM 0 HG22 VAL A 208 4.011 -1.712 -4.509 1.00 0.46 H new ATOM 0 HG23 VAL A 208 3.260 -3.250 -4.021 1.00 0.46 H new ATOM 1136 N THR A 209 4.677 -0.079 -0.402 1.00 0.18 N ATOM 1137 CA THR A 209 5.390 1.088 0.074 1.00 0.20 C ATOM 1138 C THR A 209 6.759 0.666 0.581 1.00 0.20 C ATOM 1139 O THR A 209 7.768 1.289 0.260 1.00 0.21 O ATOM 1140 CB THR A 209 4.601 1.786 1.200 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.248 2.000 0.772 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.237 3.119 1.571 1.00 0.28 C ATOM 0 H THR A 209 3.862 -0.330 0.158 1.00 0.18 H new ATOM 0 HA THR A 209 5.505 1.794 -0.748 1.00 0.20 H new ATOM 0 HB THR A 209 4.616 1.144 2.081 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.767 1.146 0.767 1.00 0.27 H new ATOM 0 HG21 THR A 209 4.659 3.589 2.367 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.258 2.952 1.913 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.249 3.772 0.698 1.00 0.28 H new ATOM 1150 N ALA A 210 6.772 -0.430 1.334 1.00 0.20 N ATOM 1151 CA ALA A 210 7.997 -0.983 1.901 1.00 0.21 C ATOM 1152 C ALA A 210 9.070 -1.191 0.843 1.00 0.17 C ATOM 1153 O ALA A 210 10.178 -0.679 0.969 1.00 0.18 O ATOM 1154 CB ALA A 210 7.704 -2.303 2.594 1.00 0.26 C ATOM 0 H ALA A 210 5.933 -0.960 1.568 1.00 0.20 H new ATOM 0 HA ALA A 210 8.374 -0.261 2.625 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.626 -2.706 3.013 1.00 0.26 H new ATOM 0 HB2 ALA A 210 6.982 -2.141 3.394 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.294 -3.010 1.872 1.00 0.26 H new ATOM 1160 N GLU A 211 8.736 -1.935 -0.198 1.00 0.19 N ATOM 1161 CA GLU A 211 9.703 -2.255 -1.238 1.00 0.20 C ATOM 1162 C GLU A 211 10.179 -1.004 -1.970 1.00 0.18 C ATOM 1163 O GLU A 211 11.359 -0.885 -2.278 1.00 0.22 O ATOM 1164 CB GLU A 211 9.123 -3.267 -2.223 1.00 0.28 C ATOM 1165 CG GLU A 211 8.889 -4.640 -1.612 1.00 1.01 C ATOM 1166 CD GLU A 211 10.138 -5.213 -0.967 1.00 1.30 C ATOM 1167 OE1 GLU A 211 11.135 -5.433 -1.688 1.00 1.87 O ATOM 1168 OE2 GLU A 211 10.118 -5.455 0.260 1.00 1.63 O ATOM 0 H GLU A 211 7.807 -2.328 -0.347 1.00 0.19 H new ATOM 0 HA GLU A 211 10.570 -2.702 -0.752 1.00 0.20 H new ATOM 0 HB2 GLU A 211 8.179 -2.885 -2.611 1.00 0.28 H new ATOM 0 HB3 GLU A 211 9.800 -3.366 -3.072 1.00 0.28 H new ATOM 0 HG2 GLU A 211 8.098 -4.571 -0.865 1.00 1.01 H new ATOM 0 HG3 GLU A 211 8.538 -5.323 -2.386 1.00 1.01 H new ATOM 1175 N LEU A 212 9.277 -0.061 -2.238 1.00 0.17 N ATOM 1176 CA LEU A 212 9.667 1.193 -2.884 1.00 0.18 C ATOM 1177 C LEU A 212 10.556 2.026 -1.955 1.00 0.18 C ATOM 1178 O LEU A 212 11.423 2.778 -2.403 1.00 0.22 O ATOM 1179 CB LEU A 212 8.428 1.990 -3.308 1.00 0.18 C ATOM 1180 CG LEU A 212 7.457 1.249 -4.229 1.00 0.18 C ATOM 1181 CD1 LEU A 212 6.254 2.122 -4.546 1.00 0.19 C ATOM 1182 CD2 LEU A 212 8.164 0.821 -5.505 1.00 0.20 C ATOM 0 H LEU A 212 8.283 -0.138 -2.021 1.00 0.17 H new ATOM 0 HA LEU A 212 10.241 0.953 -3.779 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.890 2.297 -2.411 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.756 2.900 -3.810 1.00 0.18 H new ATOM 0 HG LEU A 212 7.102 0.355 -3.716 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.573 1.579 -5.202 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.738 2.380 -3.621 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.587 3.034 -5.042 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.461 0.295 -6.151 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.544 1.701 -6.023 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.994 0.159 -5.257 1.00 0.20 H new ATOM 1194 N LEU A 213 10.335 1.882 -0.656 1.00 0.16 N ATOM 1195 CA LEU A 213 11.207 2.494 0.345 1.00 0.16 C ATOM 1196 C LEU A 213 12.599 1.871 0.275 1.00 0.17 C ATOM 1197 O LEU A 213 13.599 2.502 0.623 1.00 0.23 O ATOM 1198 CB LEU A 213 10.628 2.296 1.750 1.00 0.17 C ATOM 1199 CG LEU A 213 9.292 2.984 2.022 1.00 0.20 C ATOM 1200 CD1 LEU A 213 8.762 2.576 3.389 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.445 4.495 1.930 1.00 0.24 C ATOM 0 H LEU A 213 9.559 1.346 -0.267 1.00 0.16 H new ATOM 0 HA LEU A 213 11.277 3.562 0.137 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.507 1.227 1.925 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.356 2.657 2.477 1.00 0.17 H new ATOM 0 HG LEU A 213 8.573 2.669 1.266 1.00 0.20 H new ATOM 0 HD11 LEU A 213 7.809 3.072 3.573 1.00 0.22 H new ATOM 0 HD12 LEU A 213 8.620 1.496 3.416 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.477 2.867 4.158 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.484 4.971 2.126 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.174 4.832 2.667 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.787 4.766 0.931 1.00 0.24 H new ATOM 1213 N LEU A 214 12.647 0.620 -0.166 1.00 0.18 N ATOM 1214 CA LEU A 214 13.900 -0.106 -0.297 1.00 0.22 C ATOM 1215 C LEU A 214 14.576 0.209 -1.628 1.00 0.27 C ATOM 1216 O LEU A 214 15.803 0.158 -1.734 1.00 0.36 O ATOM 1217 CB LEU A 214 13.656 -1.612 -0.182 1.00 0.20 C ATOM 1218 CG LEU A 214 12.916 -2.059 1.080 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.780 -3.570 1.104 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.632 -1.569 2.326 1.00 0.32 C ATOM 0 H LEU A 214 11.823 0.085 -0.441 1.00 0.18 H new ATOM 0 HA LEU A 214 14.560 0.212 0.510 1.00 0.22 H new ATOM 0 HB2 LEU A 214 13.087 -1.939 -1.052 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.618 -2.123 -0.220 1.00 0.20 H new ATOM 0 HG LEU A 214 11.918 -1.620 1.067 1.00 0.23 H new ATOM 0 HD11 LEU A 214 12.251 -3.873 2.008 1.00 0.25 H new ATOM 0 HD12 LEU A 214 12.220 -3.899 0.228 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.771 -4.025 1.093 1.00 0.25 H new ATOM 0 HD21 LEU A 214 13.088 -1.898 3.211 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.643 -1.976 2.349 1.00 0.32 H new ATOM 0 HD23 LEU A 214 13.680 -0.480 2.314 1.00 0.32 H new ATOM 1232 N THR A 215 13.777 0.537 -2.643 1.00 0.34 N ATOM 1233 CA THR A 215 14.311 0.818 -3.971 1.00 0.43 C ATOM 1234 C THR A 215 15.126 2.106 -3.960 1.00 0.39 C ATOM 1235 O THR A 215 16.219 2.172 -4.530 1.00 0.42 O ATOM 1236 CB THR A 215 13.197 0.951 -5.037 1.00 0.60 C ATOM 1237 OG1 THR A 215 12.401 2.106 -4.769 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.289 -0.266 -5.067 1.00 0.55 C ATOM 0 H THR A 215 12.763 0.614 -2.570 1.00 0.34 H new ATOM 0 HA THR A 215 14.944 -0.030 -4.234 1.00 0.43 H new ATOM 0 HB THR A 215 13.689 1.040 -6.005 1.00 0.60 H new ATOM 0 HG1 THR A 215 12.258 2.188 -3.803 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.522 -0.129 -5.829 1.00 0.55 H new ATOM 0 HG22 THR A 215 12.878 -1.153 -5.300 1.00 0.55 H new ATOM 0 HG23 THR A 215 11.815 -0.390 -4.094 1.00 0.55 H new ATOM 1246 N ASN A 216 14.585 3.137 -3.316 1.00 0.39 N ATOM 1247 CA ASN A 216 15.266 4.417 -3.242 1.00 0.44 C ATOM 1248 C ASN A 216 16.324 4.412 -2.142 1.00 0.39 C ATOM 1249 O ASN A 216 17.289 5.173 -2.198 1.00 0.50 O ATOM 1250 CB ASN A 216 14.259 5.564 -3.057 1.00 0.51 C ATOM 1251 CG ASN A 216 13.321 5.380 -1.874 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.702 4.864 -0.829 1.00 1.85 O ATOM 1253 ND2 ASN A 216 12.076 5.799 -2.041 1.00 1.13 N ATOM 0 H ASN A 216 13.682 3.107 -2.842 1.00 0.39 H new ATOM 0 HA ASN A 216 15.782 4.583 -4.188 1.00 0.44 H new ATOM 0 HB2 ASN A 216 14.807 6.498 -2.931 1.00 0.51 H new ATOM 0 HB3 ASN A 216 13.666 5.663 -3.966 1.00 0.51 H new ATOM 0 HD21 ASN A 216 11.398 5.697 -1.286 1.00 1.13 H new ATOM 0 HD22 ASN A 216 11.795 6.224 -2.925 1.00 1.13 H new ATOM 1260 N GLY A 217 16.154 3.535 -1.163 1.00 0.29 N ATOM 1261 CA GLY A 217 17.164 3.365 -0.142 1.00 0.26 C ATOM 1262 C GLY A 217 16.977 4.288 1.040 1.00 0.31 C ATOM 1263 O GLY A 217 17.854 4.371 1.903 1.00 0.40 O ATOM 0 H GLY A 217 15.333 2.938 -1.059 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.149 2.332 0.206 1.00 0.26 H new ATOM 0 HA3 GLY A 217 18.147 3.540 -0.580 1.00 0.26 H new ATOM 1267 N ILE A 218 15.852 5.002 1.079 1.00 0.42 N ATOM 1268 CA ILE A 218 15.533 5.851 2.219 1.00 0.55 C ATOM 1269 C ILE A 218 15.348 4.997 3.466 1.00 0.45 C ATOM 1270 O ILE A 218 15.764 5.370 4.561 1.00 0.55 O ATOM 1271 CB ILE A 218 14.253 6.684 1.974 1.00 0.76 C ATOM 1272 CG1 ILE A 218 14.427 7.592 0.754 1.00 1.00 C ATOM 1273 CG2 ILE A 218 13.897 7.513 3.203 1.00 0.89 C ATOM 1274 CD1 ILE A 218 15.561 8.586 0.883 1.00 2.21 C ATOM 0 H ILE A 218 15.152 5.008 0.337 1.00 0.42 H new ATOM 0 HA ILE A 218 16.365 6.541 2.358 1.00 0.55 H new ATOM 0 HB ILE A 218 13.434 5.991 1.780 1.00 0.76 H new ATOM 0 HG12 ILE A 218 14.599 6.972 -0.126 1.00 1.00 H new ATOM 0 HG13 ILE A 218 13.498 8.136 0.584 1.00 1.00 H new ATOM 0 HG21 ILE A 218 12.993 8.089 3.004 1.00 0.89 H new ATOM 0 HG22 ILE A 218 13.726 6.851 4.051 1.00 0.89 H new ATOM 0 HG23 ILE A 218 14.717 8.193 3.433 1.00 0.89 H new ATOM 0 HD11 ILE A 218 15.619 9.192 -0.021 1.00 2.21 H new ATOM 0 HD12 ILE A 218 15.382 9.233 1.742 1.00 2.21 H new ATOM 0 HD13 ILE A 218 16.500 8.051 1.022 1.00 2.21 H new ATOM 1286 N CYS A 219 14.729 3.842 3.288 1.00 0.39 N ATOM 1287 CA CYS A 219 14.541 2.906 4.376 1.00 0.42 C ATOM 1288 C CYS A 219 15.170 1.569 4.012 1.00 0.35 C ATOM 1289 O CYS A 219 15.332 1.255 2.832 1.00 0.34 O ATOM 1290 CB CYS A 219 13.050 2.732 4.674 1.00 0.53 C ATOM 1291 SG CYS A 219 12.180 4.284 5.002 1.00 0.86 S ATOM 0 H CYS A 219 14.347 3.532 2.394 1.00 0.39 H new ATOM 0 HA CYS A 219 15.026 3.295 5.271 1.00 0.42 H new ATOM 0 HB2 CYS A 219 12.577 2.234 3.828 1.00 0.53 H new ATOM 0 HB3 CYS A 219 12.936 2.074 5.536 1.00 0.53 H new ATOM 0 HG CYS A 219 11.443 4.152 6.065 1.00 0.86 H new ATOM 1297 N LYS A 220 15.552 0.794 5.014 1.00 0.39 N ATOM 1298 CA LYS A 220 16.121 -0.521 4.772 1.00 0.42 C ATOM 1299 C LYS A 220 15.200 -1.598 5.330 1.00 0.36 C ATOM 1300 O LYS A 220 14.308 -1.296 6.125 1.00 0.31 O ATOM 1301 CB LYS A 220 17.505 -0.628 5.413 1.00 0.54 C ATOM 1302 CG LYS A 220 18.485 0.422 4.915 1.00 0.63 C ATOM 1303 CD LYS A 220 18.849 0.200 3.456 1.00 1.57 C ATOM 1304 CE LYS A 220 19.583 1.396 2.874 1.00 2.57 C ATOM 1305 NZ LYS A 220 20.170 1.089 1.541 1.00 3.40 N ATOM 0 H LYS A 220 15.479 1.051 5.998 1.00 0.39 H new ATOM 0 HA LYS A 220 16.224 -0.665 3.697 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.404 -0.536 6.494 1.00 0.54 H new ATOM 0 HB3 LYS A 220 17.914 -1.619 5.214 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.049 1.414 5.035 1.00 0.63 H new ATOM 0 HG3 LYS A 220 19.388 0.395 5.524 1.00 0.63 H new ATOM 0 HD2 LYS A 220 19.473 -0.689 3.368 1.00 1.57 H new ATOM 0 HD3 LYS A 220 17.943 0.012 2.879 1.00 1.57 H new ATOM 0 HE2 LYS A 220 18.894 2.236 2.783 1.00 2.57 H new ATOM 0 HE3 LYS A 220 20.374 1.705 3.557 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 20.662 1.929 1.177 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 20.846 0.304 1.632 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 19.412 0.819 0.882 1.00 3.40 H new ATOM 1319 N VAL A 221 15.406 -2.843 4.919 1.00 0.40 N ATOM 1320 CA VAL A 221 14.543 -3.945 5.343 1.00 0.41 C ATOM 1321 C VAL A 221 14.462 -4.018 6.868 1.00 0.40 C ATOM 1322 O VAL A 221 13.377 -4.119 7.448 1.00 0.39 O ATOM 1323 CB VAL A 221 15.054 -5.296 4.805 1.00 0.50 C ATOM 1324 CG1 VAL A 221 14.086 -6.420 5.147 1.00 0.55 C ATOM 1325 CG2 VAL A 221 15.296 -5.223 3.303 1.00 0.55 C ATOM 0 H VAL A 221 16.163 -3.118 4.292 1.00 0.40 H new ATOM 0 HA VAL A 221 13.552 -3.750 4.934 1.00 0.41 H new ATOM 0 HB VAL A 221 16.005 -5.515 5.290 1.00 0.50 H new ATOM 0 HG11 VAL A 221 14.470 -7.362 4.756 1.00 0.55 H new ATOM 0 HG12 VAL A 221 13.980 -6.492 6.229 1.00 0.55 H new ATOM 0 HG13 VAL A 221 13.114 -6.211 4.701 1.00 0.55 H new ATOM 0 HG21 VAL A 221 15.656 -6.188 2.945 1.00 0.55 H new ATOM 0 HG22 VAL A 221 14.364 -4.973 2.796 1.00 0.55 H new ATOM 0 HG23 VAL A 221 16.041 -4.456 3.091 1.00 0.55 H new ATOM 1335 N ASP A 222 15.619 -3.909 7.506 1.00 0.44 N ATOM 1336 CA ASP A 222 15.724 -4.039 8.956 1.00 0.50 C ATOM 1337 C ASP A 222 15.047 -2.880 9.677 1.00 0.42 C ATOM 1338 O ASP A 222 14.765 -2.968 10.868 1.00 0.43 O ATOM 1339 CB ASP A 222 17.192 -4.116 9.378 1.00 0.68 C ATOM 1340 CG ASP A 222 17.901 -5.331 8.815 1.00 1.28 C ATOM 1341 OD1 ASP A 222 18.440 -5.245 7.693 1.00 1.91 O ATOM 1342 OD2 ASP A 222 17.913 -6.384 9.487 1.00 2.02 O ATOM 0 H ASP A 222 16.507 -3.729 7.038 1.00 0.44 H new ATOM 0 HA ASP A 222 15.213 -4.960 9.237 1.00 0.50 H new ATOM 0 HB2 ASP A 222 17.708 -3.214 9.048 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.252 -4.138 10.466 1.00 0.68 H new ATOM 1347 N ASP A 223 14.802 -1.792 8.956 1.00 0.38 N ATOM 1348 CA ASP A 223 14.135 -0.623 9.527 1.00 0.37 C ATOM 1349 C ASP A 223 12.623 -0.732 9.370 1.00 0.30 C ATOM 1350 O ASP A 223 11.864 0.032 9.966 1.00 0.31 O ATOM 1351 CB ASP A 223 14.639 0.664 8.875 1.00 0.44 C ATOM 1352 CG ASP A 223 16.104 0.912 9.158 1.00 0.52 C ATOM 1353 OD1 ASP A 223 16.426 1.386 10.267 1.00 0.59 O ATOM 1354 OD2 ASP A 223 16.941 0.644 8.270 1.00 0.61 O ATOM 0 H ASP A 223 15.055 -1.693 7.973 1.00 0.38 H new ATOM 0 HA ASP A 223 14.373 -0.590 10.590 1.00 0.37 H new ATOM 0 HB2 ASP A 223 14.483 0.609 7.798 1.00 0.44 H new ATOM 0 HB3 ASP A 223 14.052 1.508 9.239 1.00 0.44 H new ATOM 1359 N LEU A 224 12.193 -1.699 8.575 1.00 0.28 N ATOM 1360 CA LEU A 224 10.775 -1.902 8.310 1.00 0.28 C ATOM 1361 C LEU A 224 10.186 -2.921 9.273 1.00 0.28 C ATOM 1362 O LEU A 224 9.049 -2.794 9.708 1.00 0.26 O ATOM 1363 CB LEU A 224 10.562 -2.350 6.863 1.00 0.35 C ATOM 1364 CG LEU A 224 10.946 -1.316 5.806 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.695 -1.869 4.416 1.00 0.49 C ATOM 1366 CD2 LEU A 224 10.166 -0.028 6.026 1.00 0.41 C ATOM 0 H LEU A 224 12.808 -2.359 8.099 1.00 0.28 H new ATOM 0 HA LEU A 224 10.260 -0.953 8.461 1.00 0.28 H new ATOM 0 HB2 LEU A 224 11.141 -3.257 6.690 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.512 -2.612 6.730 1.00 0.35 H new ATOM 0 HG LEU A 224 12.009 -1.093 5.897 1.00 0.39 H new ATOM 0 HD11 LEU A 224 10.973 -1.123 3.672 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.293 -2.768 4.269 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.639 -2.114 4.307 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.448 0.702 5.267 1.00 0.41 H new ATOM 0 HD22 LEU A 224 9.098 -0.233 5.954 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.393 0.371 7.015 1.00 0.41 H new ATOM 1378 N ILE A 225 10.981 -3.925 9.609 1.00 0.37 N ATOM 1379 CA ILE A 225 10.565 -4.965 10.551 1.00 0.42 C ATOM 1380 C ILE A 225 10.081 -4.394 11.902 1.00 0.40 C ATOM 1381 O ILE A 225 9.157 -4.948 12.494 1.00 0.48 O ATOM 1382 CB ILE A 225 11.684 -5.992 10.788 1.00 0.49 C ATOM 1383 CG1 ILE A 225 12.368 -6.312 9.455 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.116 -7.252 11.431 1.00 0.71 C ATOM 1385 CD1 ILE A 225 13.288 -7.512 9.492 1.00 0.59 C ATOM 0 H ILE A 225 11.925 -4.046 9.243 1.00 0.37 H new ATOM 0 HA ILE A 225 9.717 -5.465 10.083 1.00 0.42 H new ATOM 0 HB ILE A 225 12.425 -5.576 11.470 1.00 0.49 H new ATOM 0 HG12 ILE A 225 11.601 -6.482 8.700 1.00 0.56 H new ATOM 0 HG13 ILE A 225 12.941 -5.441 9.137 1.00 0.56 H new ATOM 0 HG21 ILE A 225 11.919 -7.971 11.593 1.00 0.71 H new ATOM 0 HG22 ILE A 225 10.658 -6.998 12.387 1.00 0.71 H new ATOM 0 HG23 ILE A 225 10.365 -7.689 10.773 1.00 0.71 H new ATOM 0 HD11 ILE A 225 13.728 -7.664 8.506 1.00 0.59 H new ATOM 0 HD12 ILE A 225 14.080 -7.341 10.221 1.00 0.59 H new ATOM 0 HD13 ILE A 225 12.720 -8.398 9.776 1.00 0.59 H new ATOM 1397 N PRO A 226 10.699 -3.307 12.440 1.00 0.36 N ATOM 1398 CA PRO A 226 10.156 -2.582 13.606 1.00 0.39 C ATOM 1399 C PRO A 226 8.667 -2.241 13.471 1.00 0.38 C ATOM 1400 O PRO A 226 7.940 -2.215 14.465 1.00 0.52 O ATOM 1401 CB PRO A 226 10.990 -1.303 13.638 1.00 0.43 C ATOM 1402 CG PRO A 226 12.305 -1.710 13.083 1.00 0.44 C ATOM 1403 CD PRO A 226 12.006 -2.748 12.035 1.00 0.37 C ATOM 0 HA PRO A 226 10.216 -3.184 14.513 1.00 0.39 H new ATOM 0 HB2 PRO A 226 10.533 -0.515 13.040 1.00 0.43 H new ATOM 0 HB3 PRO A 226 11.088 -0.917 14.653 1.00 0.43 H new ATOM 0 HG2 PRO A 226 12.827 -0.857 12.650 1.00 0.44 H new ATOM 0 HG3 PRO A 226 12.949 -2.116 13.863 1.00 0.44 H new ATOM 0 HD2 PRO A 226 11.959 -2.307 11.039 1.00 0.37 H new ATOM 0 HD3 PRO A 226 12.777 -3.518 12.006 1.00 0.37 H new ATOM 1411 N LEU A 227 8.213 -1.987 12.242 1.00 0.29 N ATOM 1412 CA LEU A 227 6.801 -1.713 11.981 1.00 0.35 C ATOM 1413 C LEU A 227 5.970 -2.951 12.305 1.00 0.43 C ATOM 1414 O LEU A 227 4.809 -2.854 12.675 1.00 0.70 O ATOM 1415 CB LEU A 227 6.580 -1.328 10.514 1.00 0.33 C ATOM 1416 CG LEU A 227 7.400 -0.145 10.009 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.138 0.066 8.534 1.00 0.33 C ATOM 1418 CD2 LEU A 227 7.051 1.107 10.784 1.00 0.37 C ATOM 0 H LEU A 227 8.805 -1.966 11.412 1.00 0.29 H new ATOM 0 HA LEU A 227 6.492 -0.880 12.612 1.00 0.35 H new ATOM 0 HB2 LEU A 227 6.806 -2.194 9.892 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.523 -1.101 10.373 1.00 0.33 H new ATOM 0 HG LEU A 227 8.458 -0.360 10.157 1.00 0.31 H new ATOM 0 HD11 LEU A 227 7.726 0.912 8.177 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.421 -0.831 7.982 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.078 0.269 8.378 1.00 0.33 H new ATOM 0 HD21 LEU A 227 7.644 1.942 10.412 1.00 0.37 H new ATOM 0 HD22 LEU A 227 5.992 1.330 10.658 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.265 0.952 11.841 1.00 0.37 H new ATOM 1430 N ALA A 228 6.603 -4.111 12.161 1.00 0.54 N ATOM 1431 CA ALA A 228 5.958 -5.402 12.399 1.00 0.66 C ATOM 1432 C ALA A 228 6.229 -5.913 13.805 1.00 0.73 C ATOM 1433 O ALA A 228 5.943 -7.069 14.128 1.00 1.47 O ATOM 1434 CB ALA A 228 6.465 -6.417 11.390 1.00 0.76 C ATOM 0 H ALA A 228 7.579 -4.185 11.876 1.00 0.54 H new ATOM 0 HA ALA A 228 4.882 -5.264 12.289 1.00 0.66 H new ATOM 0 HB1 ALA A 228 5.984 -7.379 11.568 1.00 0.76 H new ATOM 0 HB2 ALA A 228 6.231 -6.076 10.382 1.00 0.76 H new ATOM 0 HB3 ALA A 228 7.544 -6.526 11.495 1.00 0.76 H new ATOM 1441 N GLU B 630 -9.739 10.350 -1.744 1.00 1.19 N ATOM 1442 CA GLU B 630 -9.886 9.094 -2.499 1.00 0.73 C ATOM 1443 C GLU B 630 -8.542 8.372 -2.655 1.00 0.58 C ATOM 1444 O GLU B 630 -7.535 8.762 -2.058 1.00 0.83 O ATOM 1445 CB GLU B 630 -10.453 9.374 -3.893 1.00 1.57 C ATOM 1446 CG GLU B 630 -11.875 9.901 -3.903 1.00 2.16 C ATOM 1447 CD GLU B 630 -12.318 10.299 -5.295 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -12.332 9.433 -6.191 1.00 3.66 O ATOM 1449 OE2 GLU B 630 -12.648 11.487 -5.502 1.00 3.07 O ATOM 0 HA GLU B 630 -10.569 8.457 -1.936 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -9.809 10.096 -4.394 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -10.416 8.454 -4.477 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -12.548 9.138 -3.512 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -11.948 10.762 -3.238 1.00 2.16 H new ATOM 1455 N LEU B 631 -8.550 7.281 -3.416 1.00 0.48 N ATOM 1456 CA LEU B 631 -7.315 6.626 -3.826 1.00 0.35 C ATOM 1457 C LEU B 631 -6.933 6.977 -5.253 1.00 0.41 C ATOM 1458 O LEU B 631 -7.752 6.891 -6.167 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.444 5.112 -3.709 1.00 0.31 C ATOM 1460 CG LEU B 631 -7.021 4.539 -2.365 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.267 3.040 -2.334 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -5.553 4.838 -2.090 1.00 0.27 C ATOM 0 H LEU B 631 -9.399 6.833 -3.760 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.533 6.985 -3.158 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -8.481 4.834 -3.897 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.843 4.648 -4.491 1.00 0.31 H new ATOM 0 HG LEU B 631 -7.619 5.011 -1.586 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -6.960 2.641 -1.367 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.328 2.842 -2.488 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -6.690 2.560 -3.124 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -5.271 4.419 -1.124 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -4.938 4.392 -2.872 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.398 5.917 -2.077 1.00 0.27 H new ATOM 1474 N PRO B 632 -5.677 7.390 -5.441 1.00 0.41 N ATOM 1475 CA PRO B 632 -5.080 7.595 -6.768 1.00 0.52 C ATOM 1476 C PRO B 632 -5.148 6.351 -7.645 1.00 0.48 C ATOM 1477 O PRO B 632 -5.019 5.222 -7.164 1.00 0.46 O ATOM 1478 CB PRO B 632 -3.623 7.899 -6.446 1.00 0.70 C ATOM 1479 CG PRO B 632 -3.661 8.491 -5.080 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.736 7.736 -4.359 1.00 0.41 C ATOM 0 HA PRO B 632 -5.601 8.375 -7.323 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -3.014 6.995 -6.471 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -3.193 8.593 -7.168 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -2.700 8.385 -4.577 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -3.885 9.557 -5.118 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -4.344 6.847 -3.865 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -5.211 8.345 -3.590 1.00 0.41 H new ATOM 1488 N THR B 633 -5.340 6.587 -8.936 1.00 0.55 N ATOM 1489 CA THR B 633 -5.405 5.524 -9.931 1.00 0.66 C ATOM 1490 C THR B 633 -4.134 4.674 -9.935 1.00 0.56 C ATOM 1491 O THR B 633 -4.198 3.457 -10.123 1.00 0.55 O ATOM 1492 CB THR B 633 -5.675 6.095 -11.346 1.00 0.91 C ATOM 1493 OG1 THR B 633 -5.679 5.050 -12.323 1.00 1.82 O ATOM 1494 CG2 THR B 633 -4.639 7.142 -11.728 1.00 1.32 C ATOM 0 H THR B 633 -5.455 7.523 -9.324 1.00 0.55 H new ATOM 0 HA THR B 633 -6.239 4.880 -9.654 1.00 0.66 H new ATOM 0 HB THR B 633 -6.657 6.568 -11.322 1.00 0.91 H new ATOM 0 HG1 THR B 633 -5.853 5.431 -13.209 1.00 1.82 H new ATOM 0 HG21 THR B 633 -4.857 7.522 -12.726 1.00 1.32 H new ATOM 0 HG22 THR B 633 -4.670 7.963 -11.012 1.00 1.32 H new ATOM 0 HG23 THR B 633 -3.646 6.692 -11.720 1.00 1.32 H new ATOM 1502 N GLU B 634 -2.985 5.309 -9.703 1.00 0.55 N ATOM 1503 CA GLU B 634 -1.719 4.593 -9.627 1.00 0.54 C ATOM 1504 C GLU B 634 -1.762 3.562 -8.506 1.00 0.43 C ATOM 1505 O GLU B 634 -1.350 2.418 -8.692 1.00 0.45 O ATOM 1506 CB GLU B 634 -0.546 5.558 -9.408 1.00 0.62 C ATOM 1507 CG GLU B 634 -0.435 6.634 -10.477 1.00 1.26 C ATOM 1508 CD GLU B 634 -1.136 7.926 -10.098 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -2.207 7.868 -9.460 1.00 1.65 O ATOM 1510 OE2 GLU B 634 -0.597 9.010 -10.416 1.00 1.70 O ATOM 0 H GLU B 634 -2.909 6.317 -9.565 1.00 0.55 H new ATOM 0 HA GLU B 634 -1.566 4.082 -10.578 1.00 0.54 H new ATOM 0 HB2 GLU B 634 -0.656 6.035 -8.434 1.00 0.62 H new ATOM 0 HB3 GLU B 634 0.382 4.988 -9.381 1.00 0.62 H new ATOM 0 HG2 GLU B 634 0.618 6.841 -10.667 1.00 1.26 H new ATOM 0 HG3 GLU B 634 -0.859 6.258 -11.408 1.00 1.26 H new ATOM 1517 N VAL B 635 -2.272 3.977 -7.345 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.398 3.077 -6.201 1.00 0.28 C ATOM 1519 C VAL B 635 -3.249 1.854 -6.543 1.00 0.27 C ATOM 1520 O VAL B 635 -2.827 0.723 -6.313 1.00 0.28 O ATOM 1521 CB VAL B 635 -2.989 3.793 -4.960 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -3.154 2.816 -3.797 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -2.104 4.963 -4.554 1.00 0.35 C ATOM 0 H VAL B 635 -2.603 4.927 -7.174 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.388 2.747 -5.957 1.00 0.28 H new ATOM 0 HB VAL B 635 -3.975 4.177 -5.222 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.570 3.341 -2.937 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.827 2.011 -4.091 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -2.183 2.399 -3.532 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -2.531 5.457 -3.681 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -1.106 4.598 -4.312 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -2.040 5.674 -5.378 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.433 2.086 -7.100 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.353 1.003 -7.447 1.00 0.33 C ATOM 1535 C LEU B 636 -4.679 -0.074 -8.299 1.00 0.34 C ATOM 1536 O LEU B 636 -4.670 -1.256 -7.930 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.577 1.564 -8.182 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.436 2.537 -7.367 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -8.594 3.067 -8.201 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.956 1.852 -6.115 1.00 0.51 C ATOM 0 H LEU B 636 -4.781 3.018 -7.323 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.670 0.534 -6.515 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -6.238 2.072 -9.085 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -7.203 0.731 -8.501 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.814 3.383 -7.074 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -9.189 3.755 -7.601 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -8.204 3.590 -9.074 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -9.219 2.235 -8.526 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.565 2.552 -5.543 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.561 0.990 -6.396 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -7.115 1.521 -5.505 1.00 0.51 H new ATOM 1552 N ASP B 637 -4.095 0.329 -9.420 1.00 0.36 N ATOM 1553 CA ASP B 637 -3.431 -0.620 -10.308 1.00 0.41 C ATOM 1554 C ASP B 637 -2.289 -1.318 -9.589 1.00 0.37 C ATOM 1555 O ASP B 637 -2.112 -2.533 -9.711 1.00 0.40 O ATOM 1556 CB ASP B 637 -2.898 0.071 -11.563 1.00 0.49 C ATOM 1557 CG ASP B 637 -3.993 0.434 -12.541 1.00 1.37 C ATOM 1558 OD1 ASP B 637 -4.714 -0.474 -12.995 1.00 1.43 O ATOM 1559 OD2 ASP B 637 -4.153 1.638 -12.843 1.00 2.30 O ATOM 0 H ASP B 637 -4.067 1.299 -9.735 1.00 0.36 H new ATOM 0 HA ASP B 637 -4.173 -1.360 -10.608 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -2.360 0.974 -11.275 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -2.179 -0.584 -12.056 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.539 -0.552 -8.809 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.384 -1.088 -8.114 1.00 0.31 C ATOM 1566 C LEU B 638 -0.787 -2.178 -7.120 1.00 0.32 C ATOM 1567 O LEU B 638 -0.062 -3.148 -6.919 1.00 0.38 O ATOM 1568 CB LEU B 638 0.380 0.006 -7.386 1.00 0.29 C ATOM 1569 CG LEU B 638 1.680 -0.479 -6.759 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.550 -1.144 -7.807 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.423 0.658 -6.101 1.00 0.33 C ATOM 0 H LEU B 638 -1.711 0.440 -8.644 1.00 0.32 H new ATOM 0 HA LEU B 638 0.265 -1.527 -8.872 1.00 0.31 H new ATOM 0 HB2 LEU B 638 0.601 0.812 -8.086 1.00 0.29 H new ATOM 0 HB3 LEU B 638 -0.256 0.426 -6.607 1.00 0.29 H new ATOM 0 HG LEU B 638 1.435 -1.210 -5.989 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.477 -1.487 -7.347 1.00 0.35 H new ATOM 0 HD12 LEU B 638 2.020 -1.996 -8.233 1.00 0.35 H new ATOM 0 HD13 LEU B 638 2.780 -0.428 -8.596 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.347 0.283 -5.662 1.00 0.33 H new ATOM 0 HD22 LEU B 638 2.658 1.418 -6.846 1.00 0.33 H new ATOM 0 HD23 LEU B 638 1.801 1.095 -5.320 1.00 0.33 H new ATOM 1583 N LEU B 639 -1.948 -2.017 -6.504 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.437 -2.999 -5.548 1.00 0.30 C ATOM 1585 C LEU B 639 -2.853 -4.279 -6.265 1.00 0.33 C ATOM 1586 O LEU B 639 -2.807 -5.370 -5.697 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.636 -2.448 -4.777 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.416 -1.106 -4.084 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -4.662 -0.693 -3.316 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.220 -1.185 -3.158 1.00 0.31 C ATOM 0 H LEU B 639 -2.567 -1.219 -6.648 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.629 -3.219 -4.850 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.473 -2.347 -5.467 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -3.929 -3.181 -4.025 1.00 0.30 H new ATOM 0 HG LEU B 639 -3.217 -0.350 -4.843 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.487 0.266 -2.828 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.501 -0.602 -4.006 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -4.892 -1.447 -2.563 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -2.074 -0.222 -2.670 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.394 -1.952 -2.403 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.330 -1.439 -3.734 1.00 0.31 H new ATOM 1602 N SER B 640 -3.276 -4.131 -7.513 1.00 0.38 N ATOM 1603 CA SER B 640 -3.776 -5.257 -8.287 1.00 0.44 C ATOM 1604 C SER B 640 -2.670 -5.957 -9.084 1.00 0.50 C ATOM 1605 O SER B 640 -2.902 -7.003 -9.688 1.00 0.57 O ATOM 1606 CB SER B 640 -4.886 -4.767 -9.212 1.00 0.53 C ATOM 1607 OG SER B 640 -5.567 -5.845 -9.831 1.00 1.17 O ATOM 0 H SER B 640 -3.283 -3.241 -8.011 1.00 0.38 H new ATOM 0 HA SER B 640 -4.170 -6.001 -7.594 1.00 0.44 H new ATOM 0 HB2 SER B 640 -5.596 -4.167 -8.642 1.00 0.53 H new ATOM 0 HB3 SER B 640 -4.462 -4.117 -9.977 1.00 0.53 H new ATOM 0 HG SER B 640 -4.932 -6.566 -10.023 1.00 1.17 H new ATOM 1613 N VAL B 641 -1.471 -5.394 -9.090 1.00 0.52 N ATOM 1614 CA VAL B 641 -0.359 -6.032 -9.793 1.00 0.57 C ATOM 1615 C VAL B 641 0.502 -6.880 -8.854 1.00 0.60 C ATOM 1616 O VAL B 641 1.568 -7.356 -9.246 1.00 0.68 O ATOM 1617 CB VAL B 641 0.539 -5.009 -10.529 1.00 0.55 C ATOM 1618 CG1 VAL B 641 -0.242 -4.303 -11.624 1.00 0.57 C ATOM 1619 CG2 VAL B 641 1.136 -3.997 -9.562 1.00 0.49 C ATOM 0 H VAL B 641 -1.241 -4.514 -8.627 1.00 0.52 H new ATOM 0 HA VAL B 641 -0.818 -6.684 -10.536 1.00 0.57 H new ATOM 0 HB VAL B 641 1.362 -5.558 -10.986 1.00 0.55 H new ATOM 0 HG11 VAL B 641 0.406 -3.588 -12.130 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -0.604 -5.037 -12.344 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -1.090 -3.777 -11.185 1.00 0.57 H new ATOM 0 HG21 VAL B 641 1.761 -3.293 -10.112 1.00 0.49 H new ATOM 0 HG22 VAL B 641 0.334 -3.455 -9.061 1.00 0.49 H new ATOM 0 HG23 VAL B 641 1.741 -4.517 -8.819 1.00 0.49 H new ATOM 1629 N ILE B 642 0.036 -7.095 -7.625 1.00 0.57 N ATOM 1630 CA ILE B 642 0.805 -7.873 -6.652 1.00 0.62 C ATOM 1631 C ILE B 642 -0.060 -8.888 -5.893 1.00 0.72 C ATOM 1632 O ILE B 642 -1.291 -8.817 -5.933 1.00 0.74 O ATOM 1633 CB ILE B 642 1.542 -6.971 -5.642 1.00 0.53 C ATOM 1634 CG1 ILE B 642 0.611 -5.888 -5.108 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.784 -6.355 -6.274 1.00 0.53 C ATOM 1636 CD1 ILE B 642 1.288 -4.941 -4.147 1.00 0.55 C ATOM 0 H ILE B 642 -0.859 -6.747 -7.281 1.00 0.57 H new ATOM 0 HA ILE B 642 1.542 -8.422 -7.238 1.00 0.62 H new ATOM 0 HB ILE B 642 1.861 -7.589 -4.802 1.00 0.53 H new ATOM 0 HG12 ILE B 642 0.209 -5.319 -5.946 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.235 -6.360 -4.608 1.00 0.49 H new ATOM 0 HG21 ILE B 642 3.288 -5.722 -5.543 1.00 0.53 H new ATOM 0 HG22 ILE B 642 3.460 -7.147 -6.596 1.00 0.53 H new ATOM 0 HG23 ILE B 642 2.494 -5.754 -7.136 1.00 0.53 H new ATOM 0 HD11 ILE B 642 0.570 -4.195 -3.805 1.00 0.55 H new ATOM 0 HD12 ILE B 642 1.666 -5.500 -3.291 1.00 0.55 H new ATOM 0 HD13 ILE B 642 2.117 -4.443 -4.650 1.00 0.55 H new ATOM 1648 N PRO B 643 0.600 -9.872 -5.234 1.00 0.82 N ATOM 1649 CA PRO B 643 -0.049 -10.948 -4.471 1.00 0.95 C ATOM 1650 C PRO B 643 -1.214 -10.529 -3.582 1.00 0.90 C ATOM 1651 O PRO B 643 -1.322 -9.390 -3.121 1.00 0.81 O ATOM 1652 CB PRO B 643 1.059 -11.492 -3.572 1.00 1.03 C ATOM 1653 CG PRO B 643 2.355 -10.996 -4.119 1.00 1.05 C ATOM 1654 CD PRO B 643 2.059 -10.042 -5.247 1.00 0.83 C ATOM 0 HA PRO B 643 -0.485 -11.653 -5.179 1.00 0.95 H new ATOM 0 HB2 PRO B 643 0.921 -11.155 -2.545 1.00 1.03 H new ATOM 0 HB3 PRO B 643 1.040 -12.582 -3.555 1.00 1.03 H new ATOM 0 HG2 PRO B 643 2.929 -10.496 -3.339 1.00 1.05 H new ATOM 0 HG3 PRO B 643 2.960 -11.829 -4.476 1.00 1.05 H new ATOM 0 HD2 PRO B 643 2.568 -9.089 -5.101 1.00 0.83 H new ATOM 0 HD3 PRO B 643 2.400 -10.443 -6.202 1.00 0.83 H new ATOM 1662 N LYS B 644 -2.075 -11.514 -3.353 1.00 1.06 N ATOM 1663 CA LYS B 644 -3.173 -11.425 -2.398 1.00 1.10 C ATOM 1664 C LYS B 644 -2.654 -11.300 -0.969 1.00 1.06 C ATOM 1665 O LYS B 644 -1.715 -11.995 -0.572 1.00 1.07 O ATOM 1666 CB LYS B 644 -4.037 -12.683 -2.477 1.00 1.25 C ATOM 1667 CG LYS B 644 -4.806 -12.848 -3.775 1.00 1.29 C ATOM 1668 CD LYS B 644 -5.390 -14.249 -3.877 1.00 1.65 C ATOM 1669 CE LYS B 644 -6.678 -14.275 -4.676 1.00 1.87 C ATOM 1670 NZ LYS B 644 -7.242 -15.648 -4.752 1.00 2.25 N ATOM 0 H LYS B 644 -2.029 -12.412 -3.834 1.00 1.06 H new ATOM 0 HA LYS B 644 -3.756 -10.540 -2.652 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -3.398 -13.555 -2.337 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -4.747 -12.672 -1.650 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -5.606 -12.110 -3.826 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -4.145 -12.661 -4.622 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -4.661 -14.912 -4.344 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -5.578 -14.637 -2.876 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -7.406 -13.606 -4.217 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -6.491 -13.901 -5.682 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -7.940 -15.694 -5.521 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -6.477 -16.328 -4.937 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -7.704 -15.884 -3.851 1.00 2.25 H new ATOM 1684 N ARG B 645 -3.283 -10.399 -0.223 1.00 1.06 N ATOM 1685 CA ARG B 645 -3.023 -10.180 1.213 1.00 1.06 C ATOM 1686 C ARG B 645 -2.913 -11.469 2.048 1.00 1.05 C ATOM 1687 O ARG B 645 -2.464 -11.419 3.188 1.00 1.08 O ATOM 1688 CB ARG B 645 -4.135 -9.307 1.811 1.00 1.16 C ATOM 1689 CG ARG B 645 -5.396 -10.073 2.192 1.00 1.55 C ATOM 1690 CD ARG B 645 -6.437 -9.173 2.856 1.00 1.72 C ATOM 1691 NE ARG B 645 -5.898 -8.422 3.997 1.00 2.35 N ATOM 1692 CZ ARG B 645 -5.973 -8.817 5.273 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -6.572 -9.959 5.583 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -5.470 -8.046 6.240 1.00 3.87 N ATOM 0 H ARG B 645 -4.004 -9.783 -0.598 1.00 1.06 H new ATOM 0 HA ARG B 645 -2.050 -9.691 1.261 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -3.749 -8.803 2.697 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -4.398 -8.531 1.092 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -5.827 -10.528 1.300 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -5.135 -10.886 2.870 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -6.828 -8.472 2.118 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -7.276 -9.783 3.192 1.00 1.72 H new ATOM 0 HE ARG B 645 -5.433 -7.535 3.803 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -6.977 -10.539 4.848 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -6.628 -10.258 6.557 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -5.029 -7.157 6.006 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -5.527 -8.346 7.213 1.00 3.87 H new ATOM 1708 N GLN B 646 -3.308 -12.604 1.495 1.00 1.11 N ATOM 1709 CA GLN B 646 -3.386 -13.841 2.270 1.00 1.17 C ATOM 1710 C GLN B 646 -2.046 -14.576 2.287 1.00 1.20 C ATOM 1711 O GLN B 646 -1.795 -15.407 3.162 1.00 1.26 O ATOM 1712 CB GLN B 646 -4.493 -14.747 1.711 1.00 1.26 C ATOM 1713 CG GLN B 646 -4.270 -15.180 0.274 1.00 1.46 C ATOM 1714 CD GLN B 646 -5.530 -15.708 -0.381 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -6.288 -14.954 -0.987 1.00 2.61 O ATOM 1716 NE2 GLN B 646 -5.764 -17.003 -0.261 1.00 2.10 N ATOM 0 H GLN B 646 -3.580 -12.699 0.516 1.00 1.11 H new ATOM 0 HA GLN B 646 -3.630 -13.579 3.300 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -4.573 -15.635 2.339 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -5.446 -14.222 1.778 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -3.894 -14.334 -0.301 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -3.501 -15.952 0.247 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -5.109 -17.594 0.251 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -6.600 -17.411 -0.680 1.00 2.10 H new ATOM 1725 N TYR B 647 -1.185 -14.254 1.328 1.00 1.25 N ATOM 1726 CA TYR B 647 0.108 -14.921 1.201 1.00 1.33 C ATOM 1727 C TYR B 647 1.095 -14.488 2.286 1.00 1.38 C ATOM 1728 O TYR B 647 2.064 -15.195 2.564 1.00 1.55 O ATOM 1729 CB TYR B 647 0.718 -14.653 -0.175 1.00 1.39 C ATOM 1730 CG TYR B 647 -0.051 -15.266 -1.324 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -0.252 -16.639 -1.396 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -0.569 -14.473 -2.341 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -0.942 -17.204 -2.448 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -1.257 -15.035 -3.399 1.00 1.64 C ATOM 1735 CZ TYR B 647 -1.442 -16.399 -3.445 1.00 1.74 C ATOM 1736 OH TYR B 647 -2.124 -16.959 -4.498 1.00 1.90 O ATOM 0 H TYR B 647 -1.358 -13.535 0.626 1.00 1.25 H new ATOM 0 HA TYR B 647 -0.077 -15.988 1.322 1.00 1.33 H new ATOM 0 HB2 TYR B 647 0.781 -13.576 -0.328 1.00 1.39 H new ATOM 0 HB3 TYR B 647 1.738 -15.037 -0.189 1.00 1.39 H new ATOM 0 HD1 TYR B 647 0.139 -17.274 -0.615 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -0.432 -13.402 -2.304 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -1.089 -18.273 -2.489 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -1.648 -14.408 -4.186 1.00 1.64 H new ATOM 0 HH TYR B 647 -3.088 -16.862 -4.352 1.00 1.90 H new ATOM 1808 N LEU B 652 4.934 -8.602 6.423 1.00 1.24 N ATOM 1809 CA LEU B 652 4.181 -7.383 6.158 1.00 0.65 C ATOM 1810 C LEU B 652 4.631 -6.286 7.108 1.00 0.61 C ATOM 1811 O LEU B 652 5.644 -6.417 7.793 1.00 1.04 O ATOM 1812 CB LEU B 652 2.679 -7.605 6.358 1.00 1.15 C ATOM 1813 CG LEU B 652 2.015 -8.550 5.372 1.00 1.20 C ATOM 1814 CD1 LEU B 652 0.577 -8.786 5.758 1.00 2.09 C ATOM 1815 CD2 LEU B 652 2.095 -7.987 3.969 1.00 1.12 C ATOM 0 HA LEU B 652 4.366 -7.096 5.123 1.00 0.65 H new ATOM 0 HB2 LEU B 652 2.518 -7.989 7.365 1.00 1.15 H new ATOM 0 HB3 LEU B 652 2.177 -6.639 6.301 1.00 1.15 H new ATOM 0 HG LEU B 652 2.543 -9.503 5.396 1.00 1.20 H new ATOM 0 HD11 LEU B 652 0.115 -9.465 5.042 1.00 2.09 H new ATOM 0 HD12 LEU B 652 0.535 -9.226 6.754 1.00 2.09 H new ATOM 0 HD13 LEU B 652 0.040 -7.838 5.757 1.00 2.09 H new ATOM 0 HD21 LEU B 652 1.615 -8.675 3.273 1.00 1.12 H new ATOM 0 HD22 LEU B 652 1.588 -7.023 3.934 1.00 1.12 H new ATOM 0 HD23 LEU B 652 3.140 -7.857 3.688 1.00 1.12 H new ATOM 1827 N LEU B 653 3.856 -5.215 7.145 1.00 0.41 N ATOM 1828 CA LEU B 653 4.119 -4.080 8.013 1.00 0.31 C ATOM 1829 C LEU B 653 2.811 -3.650 8.661 1.00 0.30 C ATOM 1830 O LEU B 653 1.743 -3.859 8.083 1.00 0.56 O ATOM 1831 CB LEU B 653 4.693 -2.909 7.216 1.00 0.32 C ATOM 1832 CG LEU B 653 5.966 -3.198 6.421 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.376 -1.970 5.632 1.00 0.44 C ATOM 1834 CD2 LEU B 653 7.093 -3.637 7.341 1.00 0.36 C ATOM 0 H LEU B 653 3.021 -5.108 6.569 1.00 0.41 H new ATOM 0 HA LEU B 653 4.846 -4.372 8.771 1.00 0.31 H new ATOM 0 HB2 LEU B 653 3.928 -2.557 6.524 1.00 0.32 H new ATOM 0 HB3 LEU B 653 4.898 -2.091 7.907 1.00 0.32 H new ATOM 0 HG LEU B 653 5.760 -4.013 5.727 1.00 0.37 H new ATOM 0 HD11 LEU B 653 7.284 -2.186 5.069 1.00 0.44 H new ATOM 0 HD12 LEU B 653 5.577 -1.697 4.942 1.00 0.44 H new ATOM 0 HD13 LEU B 653 6.562 -1.143 6.317 1.00 0.44 H new ATOM 0 HD21 LEU B 653 7.988 -3.837 6.751 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.303 -2.847 8.062 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.798 -4.543 7.871 1.00 0.36 H new ATOM 1846 N ASP B 654 2.886 -3.037 9.833 1.00 0.31 N ATOM 1847 CA ASP B 654 1.677 -2.621 10.531 1.00 0.28 C ATOM 1848 C ASP B 654 1.295 -1.216 10.102 1.00 0.23 C ATOM 1849 O ASP B 654 2.003 -0.247 10.374 1.00 0.29 O ATOM 1850 CB ASP B 654 1.852 -2.659 12.045 1.00 0.38 C ATOM 1851 CG ASP B 654 0.679 -2.013 12.760 1.00 1.10 C ATOM 1852 OD1 ASP B 654 -0.309 -2.722 13.058 1.00 1.46 O ATOM 1853 OD2 ASP B 654 0.735 -0.805 13.034 1.00 1.84 O ATOM 0 H ASP B 654 3.758 -2.819 10.316 1.00 0.31 H new ATOM 0 HA ASP B 654 0.886 -3.323 10.267 1.00 0.28 H new ATOM 0 HB2 ASP B 654 1.955 -3.693 12.374 1.00 0.38 H new ATOM 0 HB3 ASP B 654 2.773 -2.145 12.318 1.00 0.38 H new ATOM 1858 N ALA B 655 0.182 -1.156 9.379 1.00 0.22 N ATOM 1859 CA ALA B 655 -0.426 0.079 8.889 1.00 0.24 C ATOM 1860 C ALA B 655 -0.286 1.276 9.805 1.00 0.22 C ATOM 1861 O ALA B 655 0.091 2.350 9.350 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.895 -0.174 8.685 1.00 0.30 C ATOM 0 H ALA B 655 -0.339 -1.990 9.109 1.00 0.22 H new ATOM 0 HA ALA B 655 0.107 0.333 7.972 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -2.373 0.734 8.319 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -2.029 -0.974 7.956 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -2.349 -0.466 9.632 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.601 1.113 11.075 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.597 2.244 11.983 1.00 0.22 C ATOM 1870 C GLN B 656 0.794 2.802 12.106 1.00 0.23 C ATOM 1871 O GLN B 656 1.033 3.961 11.772 1.00 0.31 O ATOM 1872 CB GLN B 656 -1.138 1.856 13.350 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.645 1.794 13.379 1.00 0.35 C ATOM 1874 CD GLN B 656 -3.291 3.161 13.400 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -2.734 4.126 13.929 1.00 1.67 O ATOM 1876 NE2 GLN B 656 -4.477 3.255 12.821 1.00 1.66 N ATOM 0 H GLN B 656 -0.860 0.222 11.498 1.00 0.20 H new ATOM 0 HA GLN B 656 -1.252 3.012 11.572 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.732 0.886 13.636 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.793 2.577 14.092 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.998 1.245 12.506 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.964 1.234 14.258 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.903 2.432 12.395 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -4.965 4.150 12.801 1.00 1.66 H new ATOM 1885 N LYS B 657 1.722 1.957 12.523 1.00 0.21 N ATOM 1886 CA LYS B 657 3.091 2.398 12.750 1.00 0.26 C ATOM 1887 C LYS B 657 3.720 2.815 11.435 1.00 0.23 C ATOM 1888 O LYS B 657 4.584 3.675 11.404 1.00 0.26 O ATOM 1889 CB LYS B 657 3.955 1.296 13.391 1.00 0.36 C ATOM 1890 CG LYS B 657 3.213 0.310 14.291 1.00 0.44 C ATOM 1891 CD LYS B 657 2.412 1.004 15.384 1.00 0.79 C ATOM 1892 CE LYS B 657 1.746 -0.001 16.315 1.00 1.31 C ATOM 1893 NZ LYS B 657 0.599 -0.695 15.666 1.00 1.90 N ATOM 0 H LYS B 657 1.556 0.968 12.711 1.00 0.21 H new ATOM 0 HA LYS B 657 3.050 3.242 13.439 1.00 0.26 H new ATOM 0 HB2 LYS B 657 4.444 0.735 12.595 1.00 0.36 H new ATOM 0 HB3 LYS B 657 4.742 1.772 13.976 1.00 0.36 H new ATOM 0 HG2 LYS B 657 2.542 -0.297 13.683 1.00 0.44 H new ATOM 0 HG3 LYS B 657 3.931 -0.370 14.748 1.00 0.44 H new ATOM 0 HD2 LYS B 657 3.070 1.655 15.960 1.00 0.79 H new ATOM 0 HD3 LYS B 657 1.652 1.640 14.931 1.00 0.79 H new ATOM 0 HE2 LYS B 657 2.481 -0.739 16.635 1.00 1.31 H new ATOM 0 HE3 LYS B 657 1.398 0.512 17.211 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 -0.292 -0.349 16.075 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 0.609 -0.501 14.644 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 0.678 -1.720 15.825 1.00 1.90 H new ATOM 1907 N LEU B 658 3.260 2.223 10.349 1.00 0.25 N ATOM 1908 CA LEU B 658 3.773 2.556 9.034 1.00 0.24 C ATOM 1909 C LEU B 658 3.327 3.953 8.634 1.00 0.23 C ATOM 1910 O LEU B 658 4.069 4.692 7.989 1.00 0.24 O ATOM 1911 CB LEU B 658 3.295 1.535 8.005 1.00 0.25 C ATOM 1912 CG LEU B 658 3.664 1.856 6.559 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.167 2.034 6.414 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.168 0.764 5.628 1.00 0.27 C ATOM 0 H LEU B 658 2.532 1.509 10.352 1.00 0.25 H new ATOM 0 HA LEU B 658 4.862 2.533 9.069 1.00 0.24 H new ATOM 0 HB2 LEU B 658 3.710 0.560 8.262 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.211 1.449 8.077 1.00 0.25 H new ATOM 0 HG LEU B 658 3.180 2.793 6.284 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.408 2.262 5.376 1.00 0.27 H new ATOM 0 HD12 LEU B 658 5.500 2.853 7.052 1.00 0.27 H new ATOM 0 HD13 LEU B 658 5.672 1.115 6.710 1.00 0.27 H new ATOM 0 HD21 LEU B 658 3.440 1.010 4.601 1.00 0.27 H new ATOM 0 HD22 LEU B 658 3.624 -0.186 5.907 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.084 0.683 5.707 1.00 0.27 H new ATOM 1926 N VAL B 659 2.127 4.326 9.043 1.00 0.24 N ATOM 1927 CA VAL B 659 1.602 5.632 8.714 1.00 0.24 C ATOM 1928 C VAL B 659 2.374 6.692 9.469 1.00 0.24 C ATOM 1929 O VAL B 659 2.876 7.638 8.872 1.00 0.27 O ATOM 1930 CB VAL B 659 0.091 5.751 9.014 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.346 7.206 9.026 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.705 4.978 7.980 1.00 0.28 C ATOM 0 H VAL B 659 1.503 3.743 9.601 1.00 0.24 H new ATOM 0 HA VAL B 659 1.724 5.779 7.641 1.00 0.24 H new ATOM 0 HB VAL B 659 -0.097 5.329 10.001 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.413 7.264 9.239 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.207 7.746 9.795 1.00 0.30 H new ATOM 0 HG13 VAL B 659 -0.146 7.654 8.053 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.769 5.067 8.199 1.00 0.28 H new ATOM 0 HG22 VAL B 659 -0.503 5.383 6.988 1.00 0.28 H new ATOM 0 HG23 VAL B 659 -0.415 3.928 8.009 1.00 0.28 H new ATOM 1942 N ASN B 660 2.521 6.505 10.776 1.00 0.25 N ATOM 1943 CA ASN B 660 3.250 7.469 11.585 1.00 0.28 C ATOM 1944 C ASN B 660 4.746 7.431 11.272 1.00 0.26 C ATOM 1945 O ASN B 660 5.460 8.419 11.479 1.00 0.30 O ATOM 1946 CB ASN B 660 2.979 7.295 13.093 1.00 0.37 C ATOM 1947 CG ASN B 660 3.049 5.890 13.631 1.00 0.80 C ATOM 1948 OD1 ASN B 660 1.873 5.301 13.823 1.00 1.64 O flip ATOM 1949 ND2 ASN B 660 4.119 5.362 13.922 1.00 0.51 N flip ATOM 0 H ASN B 660 2.150 5.706 11.290 1.00 0.25 H new ATOM 0 HA ASN B 660 2.878 8.458 11.317 1.00 0.28 H new ATOM 0 HB2 ASN B 660 3.696 7.906 13.641 1.00 0.37 H new ATOM 0 HB3 ASN B 660 1.988 7.694 13.310 1.00 0.37 H new ATOM 0 HD21 ASN B 660 4.995 5.858 13.754 1.00 0.51 H new ATOM 0 HD22 ASN B 660 4.132 4.428 14.332 1.00 0.51 H new ATOM 1956 N PHE B 661 5.203 6.305 10.740 1.00 0.24 N ATOM 1957 CA PHE B 661 6.584 6.164 10.289 1.00 0.26 C ATOM 1958 C PHE B 661 6.819 6.927 8.985 1.00 0.27 C ATOM 1959 O PHE B 661 7.798 7.654 8.860 1.00 0.30 O ATOM 1960 CB PHE B 661 6.923 4.680 10.106 1.00 0.29 C ATOM 1961 CG PHE B 661 8.297 4.406 9.559 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.424 4.696 10.312 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.461 3.866 8.293 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.691 4.450 9.816 1.00 0.41 C ATOM 1965 CE2 PHE B 661 9.726 3.616 7.791 1.00 0.34 C ATOM 1966 CZ PHE B 661 10.832 3.888 8.542 1.00 0.37 C ATOM 0 H PHE B 661 4.633 5.469 10.609 1.00 0.24 H new ATOM 0 HA PHE B 661 7.239 6.591 11.049 1.00 0.26 H new ATOM 0 HB2 PHE B 661 6.825 4.179 11.069 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.186 4.234 9.438 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.311 5.120 11.299 1.00 0.37 H new ATOM 0 HD2 PHE B 661 7.593 3.638 7.692 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.563 4.689 10.406 1.00 0.41 H new ATOM 0 HE2 PHE B 661 9.838 3.203 6.799 1.00 0.34 H new ATOM 0 HZ PHE B 661 11.816 3.670 8.154 1.00 0.37 H new ATOM 1976 N LEU B 662 5.900 6.795 8.036 1.00 0.27 N ATOM 1977 CA LEU B 662 6.077 7.392 6.712 1.00 0.28 C ATOM 1978 C LEU B 662 5.771 8.877 6.793 1.00 0.27 C ATOM 1979 O LEU B 662 6.420 9.704 6.156 1.00 0.29 O ATOM 1980 CB LEU B 662 5.146 6.711 5.700 1.00 0.29 C ATOM 1981 CG LEU B 662 5.293 7.171 4.244 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.658 6.795 3.695 1.00 0.38 C ATOM 1983 CD2 LEU B 662 4.190 6.570 3.386 1.00 0.31 C ATOM 0 H LEU B 662 5.026 6.282 8.155 1.00 0.27 H new ATOM 0 HA LEU B 662 7.106 7.252 6.381 1.00 0.28 H new ATOM 0 HB2 LEU B 662 5.320 5.636 5.741 1.00 0.29 H new ATOM 0 HB3 LEU B 662 4.115 6.879 6.012 1.00 0.29 H new ATOM 0 HG LEU B 662 5.203 8.257 4.217 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.740 7.131 2.661 1.00 0.38 H new ATOM 0 HD12 LEU B 662 7.435 7.271 4.294 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.781 5.713 3.735 1.00 0.38 H new ATOM 0 HD21 LEU B 662 4.307 6.905 2.355 1.00 0.31 H new ATOM 0 HD22 LEU B 662 4.252 5.482 3.423 1.00 0.31 H new ATOM 0 HD23 LEU B 662 3.219 6.891 3.764 1.00 0.31 H new ATOM 1995 N ASN B 663 4.763 9.180 7.588 1.00 0.29 N ATOM 1996 CA ASN B 663 4.342 10.543 7.870 1.00 0.36 C ATOM 1997 C ASN B 663 5.498 11.385 8.399 1.00 0.37 C ATOM 1998 O ASN B 663 5.904 12.364 7.769 1.00 0.43 O ATOM 1999 CB ASN B 663 3.210 10.475 8.902 1.00 0.56 C ATOM 2000 CG ASN B 663 2.606 11.800 9.318 1.00 1.05 C ATOM 2001 OD1 ASN B 663 3.213 12.864 9.190 1.00 1.93 O ATOM 2002 ND2 ASN B 663 1.401 11.722 9.868 1.00 1.07 N ATOM 0 H ASN B 663 4.202 8.475 8.066 1.00 0.29 H new ATOM 0 HA ASN B 663 3.998 11.020 6.952 1.00 0.36 H new ATOM 0 HB2 ASN B 663 2.415 9.848 8.498 1.00 0.56 H new ATOM 0 HB3 ASN B 663 3.589 9.976 9.794 1.00 0.56 H new ATOM 0 HD21 ASN B 663 0.939 12.566 10.206 1.00 1.07 H new ATOM 0 HD22 ASN B 663 0.937 10.818 9.953 1.00 1.07 H new ATOM 2009 N ASP B 664 6.033 10.994 9.547 1.00 0.38 N ATOM 2010 CA ASP B 664 6.989 11.839 10.250 1.00 0.43 C ATOM 2011 C ASP B 664 8.440 11.498 9.929 1.00 0.43 C ATOM 2012 O ASP B 664 9.261 12.391 9.728 1.00 0.56 O ATOM 2013 CB ASP B 664 6.766 11.743 11.757 1.00 0.50 C ATOM 2014 CG ASP B 664 7.528 12.806 12.515 1.00 0.56 C ATOM 2015 OD1 ASP B 664 7.220 13.999 12.340 1.00 0.62 O ATOM 2016 OD2 ASP B 664 8.453 12.452 13.275 1.00 0.64 O ATOM 0 H ASP B 664 5.825 10.108 10.007 1.00 0.38 H new ATOM 0 HA ASP B 664 6.813 12.858 9.904 1.00 0.43 H new ATOM 0 HB2 ASP B 664 5.702 11.838 11.972 1.00 0.50 H new ATOM 0 HB3 ASP B 664 7.075 10.758 12.106 1.00 0.50 H new ATOM 2021 N GLN B 665 8.755 10.212 9.867 1.00 0.33 N ATOM 2022 CA GLN B 665 10.149 9.784 9.856 1.00 0.34 C ATOM 2023 C GLN B 665 10.708 9.660 8.443 1.00 0.32 C ATOM 2024 O GLN B 665 11.925 9.629 8.256 1.00 0.46 O ATOM 2025 CB GLN B 665 10.302 8.436 10.567 1.00 0.40 C ATOM 2026 CG GLN B 665 9.640 8.357 11.936 1.00 0.53 C ATOM 2027 CD GLN B 665 10.133 9.405 12.914 1.00 1.29 C ATOM 2028 OE1 GLN B 665 11.358 9.868 12.729 1.00 1.58 O flip ATOM 2029 NE2 GLN B 665 9.407 9.802 13.822 1.00 2.26 N flip ATOM 0 H GLN B 665 8.074 9.454 9.824 1.00 0.33 H new ATOM 0 HA GLN B 665 10.714 10.555 10.381 1.00 0.34 H new ATOM 0 HB2 GLN B 665 9.883 7.656 9.931 1.00 0.40 H new ATOM 0 HB3 GLN B 665 11.364 8.219 10.680 1.00 0.40 H new ATOM 0 HG2 GLN B 665 8.562 8.465 11.815 1.00 0.53 H new ATOM 0 HG3 GLN B 665 9.816 7.368 12.358 1.00 0.53 H new ATOM 0 HE21 GLN B 665 8.468 9.418 13.929 1.00 2.26 H new ATOM 0 HE22 GLN B 665 9.743 10.516 14.469 1.00 2.26 H new ATOM 2038 N VAL B 666 9.842 9.603 7.442 1.00 0.27 N ATOM 2039 CA VAL B 666 10.302 9.306 6.097 1.00 0.25 C ATOM 2040 C VAL B 666 10.211 10.534 5.204 1.00 0.24 C ATOM 2041 O VAL B 666 9.302 11.354 5.333 1.00 0.27 O ATOM 2042 CB VAL B 666 9.513 8.138 5.458 1.00 0.27 C ATOM 2043 CG1 VAL B 666 10.040 7.820 4.064 1.00 0.33 C ATOM 2044 CG2 VAL B 666 9.578 6.902 6.338 1.00 0.31 C ATOM 0 H VAL B 666 8.838 9.755 7.533 1.00 0.27 H new ATOM 0 HA VAL B 666 11.346 9.003 6.184 1.00 0.25 H new ATOM 0 HB VAL B 666 8.472 8.448 5.368 1.00 0.27 H new ATOM 0 HG11 VAL B 666 9.468 6.996 3.638 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.939 8.699 3.427 1.00 0.33 H new ATOM 0 HG13 VAL B 666 11.091 7.537 4.128 1.00 0.33 H new ATOM 0 HG21 VAL B 666 9.017 6.093 5.871 1.00 0.31 H new ATOM 0 HG22 VAL B 666 10.617 6.598 6.463 1.00 0.31 H new ATOM 0 HG23 VAL B 666 9.146 7.127 7.313 1.00 0.31 H new ATOM 2054 N GLU B 667 11.165 10.636 4.298 1.00 0.27 N ATOM 2055 CA GLU B 667 11.206 11.703 3.322 1.00 0.34 C ATOM 2056 C GLU B 667 11.422 11.087 1.960 1.00 0.32 C ATOM 2057 O GLU B 667 12.476 10.507 1.699 1.00 0.33 O ATOM 2058 CB GLU B 667 12.325 12.693 3.633 1.00 0.44 C ATOM 2059 CG GLU B 667 12.075 13.509 4.887 1.00 0.60 C ATOM 2060 CD GLU B 667 13.232 14.418 5.228 1.00 1.04 C ATOM 2061 OE1 GLU B 667 13.301 15.530 4.663 1.00 1.26 O ATOM 2062 OE2 GLU B 667 14.082 14.019 6.054 1.00 1.72 O ATOM 0 H GLU B 667 11.938 9.975 4.220 1.00 0.27 H new ATOM 0 HA GLU B 667 10.266 12.254 3.348 1.00 0.34 H new ATOM 0 HB2 GLU B 667 13.262 12.148 3.744 1.00 0.44 H new ATOM 0 HB3 GLU B 667 12.448 13.369 2.787 1.00 0.44 H new ATOM 0 HG2 GLU B 667 11.174 14.108 4.753 1.00 0.60 H new ATOM 0 HG3 GLU B 667 11.888 12.835 5.723 1.00 0.60 H new ATOM 2069 N ILE B 668 10.423 11.179 1.106 1.00 0.34 N ATOM 2070 CA ILE B 668 10.494 10.556 -0.196 1.00 0.35 C ATOM 2071 C ILE B 668 11.389 11.381 -1.111 1.00 0.30 C ATOM 2072 O ILE B 668 11.234 12.597 -1.206 1.00 0.30 O ATOM 2073 CB ILE B 668 9.085 10.411 -0.810 1.00 0.45 C ATOM 2074 CG1 ILE B 668 8.153 9.715 0.190 1.00 0.47 C ATOM 2075 CG2 ILE B 668 9.147 9.637 -2.122 1.00 0.51 C ATOM 2076 CD1 ILE B 668 8.572 8.299 0.537 1.00 0.46 C ATOM 0 H ILE B 668 9.554 11.679 1.292 1.00 0.34 H new ATOM 0 HA ILE B 668 10.919 9.558 -0.085 1.00 0.35 H new ATOM 0 HB ILE B 668 8.689 11.403 -1.026 1.00 0.45 H new ATOM 0 HG12 ILE B 668 8.112 10.306 1.105 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.144 9.694 -0.222 1.00 0.47 H new ATOM 0 HG21 ILE B 668 8.144 9.546 -2.538 1.00 0.51 H new ATOM 0 HG22 ILE B 668 9.786 10.168 -2.828 1.00 0.51 H new ATOM 0 HG23 ILE B 668 9.556 8.643 -1.939 1.00 0.51 H new ATOM 0 HD11 ILE B 668 7.864 7.874 1.249 1.00 0.46 H new ATOM 0 HD12 ILE B 668 8.586 7.691 -0.368 1.00 0.46 H new ATOM 0 HD13 ILE B 668 9.568 8.312 0.980 1.00 0.46 H new ATOM 2088 N PRO B 669 12.362 10.740 -1.764 1.00 0.37 N ATOM 2089 CA PRO B 669 13.280 11.427 -2.660 1.00 0.43 C ATOM 2090 C PRO B 669 12.625 11.764 -4.000 1.00 0.52 C ATOM 2091 O PRO B 669 12.262 10.877 -4.769 1.00 0.71 O ATOM 2092 CB PRO B 669 14.405 10.408 -2.844 1.00 0.46 C ATOM 2093 CG PRO B 669 13.742 9.086 -2.684 1.00 0.79 C ATOM 2094 CD PRO B 669 12.645 9.295 -1.675 1.00 0.54 C ATOM 0 HA PRO B 669 13.617 12.384 -2.263 1.00 0.43 H new ATOM 0 HB2 PRO B 669 14.869 10.503 -3.826 1.00 0.46 H new ATOM 0 HB3 PRO B 669 15.193 10.549 -2.104 1.00 0.46 H new ATOM 0 HG2 PRO B 669 13.338 8.734 -3.633 1.00 0.79 H new ATOM 0 HG3 PRO B 669 14.451 8.333 -2.340 1.00 0.79 H new ATOM 0 HD2 PRO B 669 11.764 8.699 -1.912 1.00 0.54 H new ATOM 0 HD3 PRO B 669 12.963 9.010 -0.672 1.00 0.54 H new