USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 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: B 644 LYS NZ :NH3+ 158:sc= 1.04! (180deg=-0.378!) USER MOD Set 1.2: B 646 GLN : amide:sc= -0.682 K(o=0.36,f=-2.4) USER MOD Set 2.1: A 174 LYS NZ :NH3+ 151:sc= -0.317 (180deg=-2.62!) USER MOD Set 2.2: A 177 GLN : amide:sc= -4.26! C(o=-4.1!,f=-4.8!) USER MOD Set 2.3: A 216 ASN : amide:sc= 0.473 K(o=-4.1,f=-16!) USER MOD Set 3.1: A 188 THR OG1 : rot 92:sc= 0.95 USER MOD Set 3.2: B 663 ASN : amide:sc= -0.286 K(o=0.66,f=-2.6) USER MOD Set 4.1: A 157 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.2!) USER MOD Set 4.2: A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 163:sc= 2.22 (180deg=2.02) USER MOD Single : A 150 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 155 ASN : amide:sc= -0.358 K(o=-0.36,f=-4.6!) USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 122:sc= -1.21 USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 172:sc= 0 (180deg=-0.0896) USER MOD Single : A 166 SER OG : rot -88:sc= 1.2 USER MOD Single : A 167 SER OG : rot -74:sc= 1.2 USER MOD Single : A 171 LYS NZ :NH3+ 156:sc= 0.173 (180deg=-0.996!) USER MOD Single : A 172 LYS NZ :NH3+ -130:sc= 0.0969 (180deg=0) USER MOD Single : A 179 LYS NZ :NH3+ 153:sc= 1.03 (180deg=-0.459!) USER MOD Single : A 182 GLN :FLIP amide:sc= -1 F(o=-2.2!,f=-1) USER MOD Single : A 183 LYS NZ :NH3+ 149:sc= 0.828 (180deg=-0.766) USER MOD Single : A 185 GLN : amide:sc= 1.19 K(o=1.2,f=-0.97) USER MOD Single : A 191 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=-0.095) USER MOD Single : A 197 SER OG : rot 148:sc= 1.22 USER MOD Single : A 202 CYS SG : rot -160:sc= 0 USER MOD Single : A 204 GLN : amide:sc= -2.23 K(o=-2.2,f=-8.4!) USER MOD Single : A 206 SER OG : rot -110:sc= -1.74! USER MOD Single : A 209 THR OG1 : rot 76:sc= 0.694 USER MOD Single : A 215 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 CYS SG : rot -137:sc= 0.69 USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 633 THR OG1 : rot 180:sc= 0.00424 USER MOD Single : B 640 SER OG : rot 180:sc= 0 USER MOD Single : B 647 TYR OH : rot 169:sc= 0.365 USER MOD Single : B 656 GLN :FLIP amide:sc= -0.016 F(o=-1.3!,f=-0.016) USER MOD Single : B 657 LYS NZ :NH3+ 167:sc= -0.0142 (180deg=-0.234) USER MOD Single : B 660 ASN : amide:sc= 1.08 K(o=1.1,f=-0.099) USER MOD Single : B 665 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -14.680 -0.976 3.153 1.00 0.92 N ATOM 45 CA LEU A 141 -14.072 -0.526 1.917 1.00 0.75 C ATOM 46 C LEU A 141 -15.126 0.077 1.000 1.00 0.70 C ATOM 47 O LEU A 141 -14.904 1.122 0.408 1.00 0.64 O ATOM 48 CB LEU A 141 -13.341 -1.675 1.215 1.00 0.82 C ATOM 49 CG LEU A 141 -12.175 -2.281 1.999 1.00 0.94 C ATOM 50 CD1 LEU A 141 -11.453 -3.324 1.165 1.00 1.05 C ATOM 51 CD2 LEU A 141 -11.208 -1.193 2.451 1.00 0.88 C ATOM 0 HA LEU A 141 -13.337 0.242 2.157 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -14.061 -2.464 0.998 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -12.966 -1.314 0.257 1.00 0.82 H new ATOM 0 HG LEU A 141 -12.578 -2.771 2.885 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.627 -3.743 1.741 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -12.148 -4.120 0.896 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -11.064 -2.860 0.259 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -10.386 -1.645 3.007 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -10.813 -0.672 1.579 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.732 -0.483 3.091 1.00 0.88 H new ATOM 63 N SER A 142 -16.295 -0.549 0.925 1.00 0.90 N ATOM 64 CA SER A 142 -17.363 -0.041 0.070 1.00 0.97 C ATOM 65 C SER A 142 -17.877 1.316 0.568 1.00 0.95 C ATOM 66 O SER A 142 -18.650 1.986 -0.117 1.00 1.05 O ATOM 67 CB SER A 142 -18.504 -1.061 -0.028 1.00 1.21 C ATOM 68 OG SER A 142 -18.956 -1.462 1.253 1.00 1.82 O ATOM 0 H SER A 142 -16.527 -1.399 1.439 1.00 0.90 H new ATOM 0 HA SER A 142 -16.953 0.111 -0.929 1.00 0.97 H new ATOM 0 HB2 SER A 142 -19.333 -0.628 -0.588 1.00 1.21 H new ATOM 0 HB3 SER A 142 -18.165 -1.935 -0.585 1.00 1.21 H new ATOM 0 HG SER A 142 -19.684 -2.111 1.155 1.00 1.82 H new ATOM 74 N GLN A 143 -17.453 1.711 1.767 1.00 0.98 N ATOM 75 CA GLN A 143 -17.810 3.018 2.302 1.00 1.10 C ATOM 76 C GLN A 143 -16.793 4.096 1.896 1.00 0.95 C ATOM 77 O GLN A 143 -17.145 5.060 1.215 1.00 1.02 O ATOM 78 CB GLN A 143 -17.926 2.960 3.827 1.00 1.41 C ATOM 79 CG GLN A 143 -18.305 4.295 4.457 1.00 1.32 C ATOM 80 CD GLN A 143 -18.302 4.255 5.971 1.00 1.79 C ATOM 81 OE1 GLN A 143 -18.627 3.105 6.534 1.00 2.41 O flip ATOM 82 NE2 GLN A 143 -18.020 5.257 6.630 1.00 2.29 N flip ATOM 0 H GLN A 143 -16.866 1.147 2.381 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.777 3.290 1.878 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -18.672 2.214 4.099 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -16.975 2.627 4.244 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -17.609 5.062 4.118 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -19.296 4.587 4.108 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -17.774 6.126 6.156 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -18.032 5.217 7.649 1.00 2.29 H new ATOM 91 N LYS A 144 -15.535 3.936 2.312 1.00 0.84 N ATOM 92 CA LYS A 144 -14.540 5.000 2.127 1.00 0.83 C ATOM 93 C LYS A 144 -13.502 4.664 1.060 1.00 0.74 C ATOM 94 O LYS A 144 -12.693 5.513 0.692 1.00 0.88 O ATOM 95 CB LYS A 144 -13.816 5.306 3.443 1.00 1.00 C ATOM 96 CG LYS A 144 -14.730 5.752 4.572 1.00 1.12 C ATOM 97 CD LYS A 144 -13.938 6.432 5.683 1.00 1.33 C ATOM 98 CE LYS A 144 -12.861 5.525 6.264 1.00 1.39 C ATOM 99 NZ LYS A 144 -11.900 6.289 7.104 1.00 1.56 N ATOM 0 H LYS A 144 -15.183 3.096 2.772 1.00 0.84 H new ATOM 0 HA LYS A 144 -15.098 5.875 1.792 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -13.274 4.416 3.761 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -13.074 6.084 3.263 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -15.483 6.439 4.185 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -15.262 4.890 4.975 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -13.475 7.339 5.293 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -14.619 6.738 6.477 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -13.327 4.742 6.863 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -12.325 5.030 5.454 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -11.366 5.631 7.706 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -11.241 6.810 6.491 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -12.421 6.961 7.703 1.00 1.56 H new ATOM 113 N PHE A 145 -13.513 3.439 0.565 1.00 0.66 N ATOM 114 CA PHE A 145 -12.515 3.004 -0.409 1.00 0.65 C ATOM 115 C PHE A 145 -13.176 2.229 -1.553 1.00 0.80 C ATOM 116 O PHE A 145 -12.852 1.066 -1.797 1.00 1.08 O ATOM 117 CB PHE A 145 -11.460 2.128 0.283 1.00 0.54 C ATOM 118 CG PHE A 145 -10.655 2.845 1.331 1.00 0.45 C ATOM 119 CD1 PHE A 145 -9.599 3.665 0.967 1.00 0.41 C ATOM 120 CD2 PHE A 145 -10.951 2.698 2.678 1.00 0.72 C ATOM 121 CE1 PHE A 145 -8.853 4.325 1.923 1.00 0.50 C ATOM 122 CE2 PHE A 145 -10.206 3.356 3.639 1.00 0.70 C ATOM 123 CZ PHE A 145 -9.179 4.169 3.276 1.00 0.51 C ATOM 0 H PHE A 145 -14.198 2.726 0.817 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.030 3.886 -0.829 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -11.958 1.275 0.744 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -10.781 1.731 -0.472 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -9.356 3.789 -0.078 1.00 0.41 H new ATOM 0 HD2 PHE A 145 -11.771 2.063 2.979 1.00 0.72 H new ATOM 0 HE1 PHE A 145 -8.026 4.955 1.630 1.00 0.50 H new ATOM 0 HE2 PHE A 145 -10.442 3.223 4.685 1.00 0.70 H new ATOM 0 HZ PHE A 145 -8.614 4.695 4.031 1.00 0.51 H new ATOM 133 N PRO A 146 -14.095 2.872 -2.291 1.00 0.95 N ATOM 134 CA PRO A 146 -14.931 2.186 -3.279 1.00 1.20 C ATOM 135 C PRO A 146 -14.199 1.898 -4.583 1.00 1.16 C ATOM 136 O PRO A 146 -14.721 1.212 -5.459 1.00 1.34 O ATOM 137 CB PRO A 146 -16.063 3.185 -3.514 1.00 1.61 C ATOM 138 CG PRO A 146 -15.441 4.519 -3.294 1.00 1.75 C ATOM 139 CD PRO A 146 -14.384 4.321 -2.238 1.00 1.23 C ATOM 0 HA PRO A 146 -15.257 1.207 -2.927 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -16.465 3.097 -4.523 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -16.890 3.015 -2.825 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -15.003 4.901 -4.216 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -16.185 5.246 -2.969 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -13.494 4.914 -2.448 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -14.742 4.621 -1.253 1.00 1.23 H new ATOM 147 N GLU A 147 -12.988 2.415 -4.704 1.00 1.10 N ATOM 148 CA GLU A 147 -12.232 2.308 -5.939 1.00 1.30 C ATOM 149 C GLU A 147 -11.226 1.162 -5.878 1.00 1.02 C ATOM 150 O GLU A 147 -10.439 0.970 -6.803 1.00 1.03 O ATOM 151 CB GLU A 147 -11.494 3.621 -6.213 1.00 1.64 C ATOM 152 CG GLU A 147 -12.397 4.842 -6.235 1.00 1.61 C ATOM 153 CD GLU A 147 -13.499 4.735 -7.268 1.00 1.74 C ATOM 154 OE1 GLU A 147 -13.201 4.832 -8.473 1.00 2.18 O ATOM 155 OE2 GLU A 147 -14.673 4.545 -6.883 1.00 1.73 O ATOM 0 H GLU A 147 -12.506 2.915 -3.957 1.00 1.10 H new ATOM 0 HA GLU A 147 -12.936 2.103 -6.746 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -10.728 3.762 -5.451 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -10.980 3.544 -7.171 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -12.841 4.978 -5.249 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -11.797 5.729 -6.440 1.00 1.61 H new ATOM 162 N LEU A 148 -11.253 0.402 -4.791 1.00 0.87 N ATOM 163 CA LEU A 148 -10.285 -0.668 -4.595 1.00 0.76 C ATOM 164 C LEU A 148 -10.482 -1.816 -5.568 1.00 0.97 C ATOM 165 O LEU A 148 -11.599 -2.279 -5.798 1.00 1.22 O ATOM 166 CB LEU A 148 -10.336 -1.209 -3.168 1.00 0.71 C ATOM 167 CG LEU A 148 -9.885 -0.234 -2.091 1.00 0.56 C ATOM 168 CD1 LEU A 148 -9.851 -0.921 -0.746 1.00 0.62 C ATOM 169 CD2 LEU A 148 -8.522 0.337 -2.427 1.00 0.54 C ATOM 0 H LEU A 148 -11.931 0.506 -4.036 1.00 0.87 H new ATOM 0 HA LEU A 148 -9.307 -0.224 -4.783 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -11.358 -1.519 -2.950 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -9.713 -2.102 -3.112 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.600 0.588 -2.046 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -9.527 -0.213 0.016 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -10.847 -1.288 -0.500 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -9.154 -1.759 -0.783 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -8.216 1.032 -1.645 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -7.796 -0.473 -2.497 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -8.573 0.863 -3.381 1.00 0.54 H new ATOM 181 N PRO A 149 -9.378 -2.259 -6.172 1.00 0.92 N ATOM 182 CA PRO A 149 -9.319 -3.491 -6.939 1.00 1.11 C ATOM 183 C PRO A 149 -9.054 -4.676 -6.013 1.00 1.19 C ATOM 184 O PRO A 149 -8.483 -4.514 -4.931 1.00 1.14 O ATOM 185 CB PRO A 149 -8.127 -3.266 -7.887 1.00 1.17 C ATOM 186 CG PRO A 149 -7.540 -1.932 -7.521 1.00 0.92 C ATOM 187 CD PRO A 149 -8.082 -1.582 -6.170 1.00 0.74 C ATOM 0 HA PRO A 149 -10.245 -3.714 -7.469 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -7.388 -4.059 -7.776 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -8.451 -3.275 -8.928 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -6.451 -1.980 -7.501 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -7.812 -1.174 -8.256 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -7.437 -1.940 -5.367 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -8.186 -0.505 -6.039 1.00 0.74 H new ATOM 195 N SER A 150 -9.474 -5.860 -6.426 1.00 1.35 N ATOM 196 CA SER A 150 -9.349 -7.046 -5.588 1.00 1.45 C ATOM 197 C SER A 150 -7.947 -7.649 -5.659 1.00 1.42 C ATOM 198 O SER A 150 -7.458 -8.230 -4.686 1.00 1.56 O ATOM 199 CB SER A 150 -10.394 -8.075 -6.004 1.00 1.60 C ATOM 200 OG SER A 150 -10.511 -8.124 -7.417 1.00 2.32 O ATOM 0 H SER A 150 -9.904 -6.028 -7.335 1.00 1.35 H new ATOM 0 HA SER A 150 -9.518 -6.750 -4.553 1.00 1.45 H new ATOM 0 HB2 SER A 150 -10.117 -9.058 -5.622 1.00 1.60 H new ATOM 0 HB3 SER A 150 -11.358 -7.822 -5.562 1.00 1.60 H new ATOM 0 HG SER A 150 -11.185 -8.791 -7.667 1.00 2.32 H new ATOM 206 N GLY A 151 -7.314 -7.521 -6.814 1.00 1.29 N ATOM 207 CA GLY A 151 -5.976 -8.047 -6.992 1.00 1.28 C ATOM 208 C GLY A 151 -5.949 -9.189 -7.985 1.00 1.24 C ATOM 209 O GLY A 151 -6.996 -9.620 -8.469 1.00 1.36 O ATOM 0 H GLY A 151 -7.704 -7.060 -7.636 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -5.315 -7.251 -7.335 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -5.590 -8.390 -6.032 1.00 1.28 H new ATOM 213 N ILE A 152 -4.759 -9.681 -8.288 1.00 1.15 N ATOM 214 CA ILE A 152 -4.600 -10.751 -9.266 1.00 1.16 C ATOM 215 C ILE A 152 -4.628 -12.123 -8.602 1.00 1.24 C ATOM 216 O ILE A 152 -4.474 -12.244 -7.383 1.00 1.30 O ATOM 217 CB ILE A 152 -3.271 -10.613 -10.040 1.00 1.08 C ATOM 218 CG1 ILE A 152 -2.092 -10.571 -9.060 1.00 1.05 C ATOM 219 CG2 ILE A 152 -3.290 -9.368 -10.922 1.00 1.06 C ATOM 220 CD1 ILE A 152 -0.735 -10.554 -9.732 1.00 1.00 C ATOM 0 H ILE A 152 -3.886 -9.358 -7.871 1.00 1.15 H new ATOM 0 HA ILE A 152 -5.438 -10.663 -9.957 1.00 1.16 H new ATOM 0 HB ILE A 152 -3.151 -11.481 -10.688 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -2.186 -9.685 -8.431 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -2.149 -11.437 -8.401 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -2.345 -9.288 -11.459 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -4.109 -9.441 -11.637 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -3.430 -8.484 -10.300 1.00 1.06 H new ATOM 0 HD11 ILE A 152 0.047 -10.524 -8.973 1.00 1.00 H new ATOM 0 HD12 ILE A 152 -0.618 -11.452 -10.338 1.00 1.00 H new ATOM 0 HD13 ILE A 152 -0.656 -9.673 -10.369 1.00 1.00 H new ATOM 232 N ASP A 153 -4.847 -13.151 -9.410 1.00 1.33 N ATOM 233 CA ASP A 153 -4.717 -14.528 -8.953 1.00 1.40 C ATOM 234 C ASP A 153 -3.350 -15.059 -9.334 1.00 1.38 C ATOM 235 O ASP A 153 -3.002 -15.113 -10.517 1.00 1.40 O ATOM 236 CB ASP A 153 -5.817 -15.420 -9.541 1.00 1.56 C ATOM 237 CG ASP A 153 -7.005 -15.548 -8.615 1.00 2.38 C ATOM 238 OD1 ASP A 153 -7.888 -14.665 -8.643 1.00 2.83 O ATOM 239 OD2 ASP A 153 -7.052 -16.512 -7.830 1.00 3.20 O ATOM 0 H ASP A 153 -5.117 -13.057 -10.389 1.00 1.33 H new ATOM 0 HA ASP A 153 -4.826 -14.543 -7.869 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -6.145 -15.008 -10.495 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -5.409 -16.410 -9.745 1.00 1.56 H new ATOM 244 N VAL A 154 -2.583 -15.455 -8.335 1.00 1.41 N ATOM 245 CA VAL A 154 -1.208 -15.857 -8.537 1.00 1.39 C ATOM 246 C VAL A 154 -1.093 -17.351 -8.335 1.00 1.51 C ATOM 247 O VAL A 154 -1.324 -17.854 -7.235 1.00 1.60 O ATOM 248 CB VAL A 154 -0.246 -15.132 -7.563 1.00 1.31 C ATOM 249 CG1 VAL A 154 1.202 -15.487 -7.863 1.00 1.31 C ATOM 250 CG2 VAL A 154 -0.442 -13.624 -7.624 1.00 1.18 C ATOM 0 H VAL A 154 -2.896 -15.506 -7.366 1.00 1.41 H new ATOM 0 HA VAL A 154 -0.923 -15.584 -9.553 1.00 1.39 H new ATOM 0 HB VAL A 154 -0.482 -15.469 -6.554 1.00 1.31 H new ATOM 0 HG11 VAL A 154 1.857 -14.965 -7.165 1.00 1.31 H new ATOM 0 HG12 VAL A 154 1.342 -16.563 -7.757 1.00 1.31 H new ATOM 0 HG13 VAL A 154 1.446 -15.188 -8.882 1.00 1.31 H new ATOM 0 HG21 VAL A 154 0.245 -13.139 -6.931 1.00 1.18 H new ATOM 0 HG22 VAL A 154 -0.244 -13.272 -8.637 1.00 1.18 H new ATOM 0 HG23 VAL A 154 -1.468 -13.379 -7.349 1.00 1.18 H new ATOM 260 N ASN A 155 -0.798 -18.058 -9.411 1.00 1.59 N ATOM 261 CA ASN A 155 -0.590 -19.494 -9.349 1.00 1.69 C ATOM 262 C ASN A 155 0.671 -19.823 -8.548 1.00 1.65 C ATOM 263 O ASN A 155 1.752 -20.067 -9.092 1.00 1.66 O ATOM 264 CB ASN A 155 -0.549 -20.086 -10.764 1.00 1.79 C ATOM 265 CG ASN A 155 0.560 -19.523 -11.643 1.00 2.07 C ATOM 266 OD1 ASN A 155 0.945 -18.362 -11.524 1.00 2.69 O ATOM 267 ND2 ASN A 155 1.068 -20.346 -12.545 1.00 2.17 N ATOM 0 H ASN A 155 -0.697 -17.658 -10.344 1.00 1.59 H new ATOM 0 HA ASN A 155 -1.429 -19.954 -8.826 1.00 1.69 H new ATOM 0 HB2 ASN A 155 -0.426 -21.167 -10.690 1.00 1.79 H new ATOM 0 HB3 ASN A 155 -1.509 -19.907 -11.249 1.00 1.79 H new ATOM 0 HD21 ASN A 155 1.805 -20.023 -13.172 1.00 2.17 H new ATOM 0 HD22 ASN A 155 0.723 -21.303 -12.614 1.00 2.17 H new ATOM 274 N ILE A 156 0.499 -19.861 -7.232 1.00 1.64 N ATOM 275 CA ILE A 156 1.596 -20.019 -6.289 1.00 1.62 C ATOM 276 C ILE A 156 2.110 -21.457 -6.225 1.00 1.69 C ATOM 277 O ILE A 156 2.639 -21.895 -5.204 1.00 1.73 O ATOM 278 CB ILE A 156 1.187 -19.522 -4.883 1.00 1.63 C ATOM 279 CG1 ILE A 156 -0.183 -20.092 -4.487 1.00 1.74 C ATOM 280 CG2 ILE A 156 1.170 -17.998 -4.861 1.00 1.51 C ATOM 281 CD1 ILE A 156 -0.748 -19.515 -3.202 1.00 1.80 C ATOM 0 H ILE A 156 -0.415 -19.782 -6.787 1.00 1.64 H new ATOM 0 HA ILE A 156 2.418 -19.403 -6.654 1.00 1.62 H new ATOM 0 HB ILE A 156 1.918 -19.873 -4.154 1.00 1.63 H new ATOM 0 HG12 ILE A 156 -0.889 -19.907 -5.297 1.00 1.74 H new ATOM 0 HG13 ILE A 156 -0.097 -21.173 -4.380 1.00 1.74 H new ATOM 0 HG21 ILE A 156 0.881 -17.652 -3.869 1.00 1.51 H new ATOM 0 HG22 ILE A 156 2.163 -17.620 -5.103 1.00 1.51 H new ATOM 0 HG23 ILE A 156 0.453 -17.631 -5.596 1.00 1.51 H new ATOM 0 HD11 ILE A 156 -1.716 -19.970 -2.994 1.00 1.80 H new ATOM 0 HD12 ILE A 156 -0.065 -19.723 -2.378 1.00 1.80 H new ATOM 0 HD13 ILE A 156 -0.869 -18.437 -3.310 1.00 1.80 H new ATOM 293 N ASN A 157 1.946 -22.187 -7.319 1.00 1.73 N ATOM 294 CA ASN A 157 2.550 -23.502 -7.454 1.00 1.77 C ATOM 295 C ASN A 157 3.797 -23.390 -8.328 1.00 1.79 C ATOM 296 O ASN A 157 4.640 -24.285 -8.348 1.00 1.77 O ATOM 297 CB ASN A 157 1.567 -24.514 -8.062 1.00 1.92 C ATOM 298 CG ASN A 157 1.377 -24.343 -9.561 1.00 2.12 C ATOM 299 OD1 ASN A 157 2.105 -24.932 -10.358 1.00 2.43 O ATOM 300 ND2 ASN A 157 0.392 -23.553 -9.959 1.00 2.67 N ATOM 0 H ASN A 157 1.399 -21.889 -8.126 1.00 1.73 H new ATOM 0 HA ASN A 157 2.821 -23.864 -6.462 1.00 1.77 H new ATOM 0 HB2 ASN A 157 1.925 -25.524 -7.861 1.00 1.92 H new ATOM 0 HB3 ASN A 157 0.601 -24.414 -7.567 1.00 1.92 H new ATOM 0 HD21 ASN A 157 0.218 -23.417 -10.955 1.00 2.67 H new ATOM 0 HD22 ASN A 157 -0.192 -23.080 -9.270 1.00 2.67 H new ATOM 307 N MET A 158 3.904 -22.275 -9.048 1.00 1.90 N ATOM 308 CA MET A 158 5.046 -22.030 -9.925 1.00 2.03 C ATOM 309 C MET A 158 5.827 -20.801 -9.477 1.00 2.06 C ATOM 310 O MET A 158 7.027 -20.693 -9.725 1.00 2.54 O ATOM 311 CB MET A 158 4.590 -21.840 -11.376 1.00 2.22 C ATOM 312 CG MET A 158 4.025 -23.096 -12.015 1.00 2.49 C ATOM 313 SD MET A 158 3.472 -22.829 -13.711 1.00 2.73 S ATOM 314 CE MET A 158 2.871 -24.467 -14.120 1.00 3.33 C ATOM 0 H MET A 158 3.212 -21.526 -9.041 1.00 1.90 H new ATOM 0 HA MET A 158 5.695 -22.904 -9.865 1.00 2.03 H new ATOM 0 HB2 MET A 158 3.833 -21.056 -11.409 1.00 2.22 H new ATOM 0 HB3 MET A 158 5.436 -21.492 -11.969 1.00 2.22 H new ATOM 0 HG2 MET A 158 4.785 -23.877 -12.004 1.00 2.49 H new ATOM 0 HG3 MET A 158 3.188 -23.457 -11.417 1.00 2.49 H new ATOM 0 HE1 MET A 158 2.492 -24.471 -15.142 1.00 3.33 H new ATOM 0 HE2 MET A 158 3.686 -25.186 -14.032 1.00 3.33 H new ATOM 0 HE3 MET A 158 2.069 -24.742 -13.435 1.00 3.33 H new ATOM 324 N THR A 159 5.142 -19.880 -8.816 1.00 1.70 N ATOM 325 CA THR A 159 5.768 -18.654 -8.355 1.00 1.67 C ATOM 326 C THR A 159 5.120 -18.203 -7.048 1.00 1.55 C ATOM 327 O THR A 159 3.900 -18.253 -6.900 1.00 1.48 O ATOM 328 CB THR A 159 5.670 -17.541 -9.429 1.00 1.68 C ATOM 329 OG1 THR A 159 6.361 -16.360 -9.001 1.00 1.80 O ATOM 330 CG2 THR A 159 4.219 -17.198 -9.750 1.00 1.69 C ATOM 0 H THR A 159 4.151 -19.960 -8.587 1.00 1.70 H new ATOM 0 HA THR A 159 6.826 -18.849 -8.177 1.00 1.67 H new ATOM 0 HB THR A 159 6.141 -17.924 -10.334 1.00 1.68 H new ATOM 0 HG1 THR A 159 6.289 -15.670 -9.693 1.00 1.80 H new ATOM 0 HG21 THR A 159 4.189 -16.414 -10.507 1.00 1.69 H new ATOM 0 HG22 THR A 159 3.710 -18.085 -10.127 1.00 1.69 H new ATOM 0 HG23 THR A 159 3.719 -16.849 -8.846 1.00 1.69 H new ATOM 338 N THR A 160 5.942 -17.804 -6.090 1.00 1.57 N ATOM 339 CA THR A 160 5.449 -17.393 -4.788 1.00 1.48 C ATOM 340 C THR A 160 5.042 -15.920 -4.795 1.00 1.30 C ATOM 341 O THR A 160 5.560 -15.141 -5.597 1.00 1.25 O ATOM 342 CB THR A 160 6.505 -17.648 -3.691 1.00 1.57 C ATOM 343 OG1 THR A 160 7.778 -17.134 -4.105 1.00 1.57 O ATOM 344 CG2 THR A 160 6.624 -19.137 -3.390 1.00 1.87 C ATOM 0 H THR A 160 6.956 -17.757 -6.192 1.00 1.57 H new ATOM 0 HA THR A 160 4.567 -17.994 -4.566 1.00 1.48 H new ATOM 0 HB THR A 160 6.186 -17.135 -2.784 1.00 1.57 H new ATOM 0 HG1 THR A 160 8.093 -16.475 -3.452 1.00 1.57 H new ATOM 0 HG21 THR A 160 7.374 -19.293 -2.614 1.00 1.87 H new ATOM 0 HG22 THR A 160 5.662 -19.517 -3.046 1.00 1.87 H new ATOM 0 HG23 THR A 160 6.922 -19.668 -4.294 1.00 1.87 H new ATOM 352 N PRO A 161 4.111 -15.516 -3.912 1.00 1.25 N ATOM 353 CA PRO A 161 3.557 -14.157 -3.914 1.00 1.10 C ATOM 354 C PRO A 161 4.644 -13.090 -3.898 1.00 1.04 C ATOM 355 O PRO A 161 4.612 -12.148 -4.696 1.00 0.96 O ATOM 356 CB PRO A 161 2.736 -14.099 -2.625 1.00 1.13 C ATOM 357 CG PRO A 161 2.395 -15.517 -2.324 1.00 1.37 C ATOM 358 CD PRO A 161 3.542 -16.343 -2.832 1.00 1.35 C ATOM 0 HA PRO A 161 2.974 -13.960 -4.813 1.00 1.10 H new ATOM 0 HB2 PRO A 161 3.307 -13.649 -1.813 1.00 1.13 H new ATOM 0 HB3 PRO A 161 1.838 -13.496 -2.756 1.00 1.13 H new ATOM 0 HG2 PRO A 161 2.254 -15.664 -1.253 1.00 1.37 H new ATOM 0 HG3 PRO A 161 1.463 -15.805 -2.811 1.00 1.37 H new ATOM 0 HD2 PRO A 161 4.274 -16.538 -2.048 1.00 1.35 H new ATOM 0 HD3 PRO A 161 3.206 -17.311 -3.203 1.00 1.35 H new ATOM 366 N ALA A 162 5.622 -13.274 -3.014 1.00 1.12 N ATOM 367 CA ALA A 162 6.688 -12.298 -2.814 1.00 1.15 C ATOM 368 C ALA A 162 7.462 -12.026 -4.100 1.00 1.12 C ATOM 369 O ALA A 162 7.923 -10.908 -4.327 1.00 1.08 O ATOM 370 CB ALA A 162 7.636 -12.765 -1.721 1.00 1.37 C ATOM 0 H ALA A 162 5.697 -14.099 -2.420 1.00 1.12 H new ATOM 0 HA ALA A 162 6.219 -11.363 -2.508 1.00 1.15 H new ATOM 0 HB1 ALA A 162 8.425 -12.026 -1.584 1.00 1.37 H new ATOM 0 HB2 ALA A 162 7.085 -12.885 -0.788 1.00 1.37 H new ATOM 0 HB3 ALA A 162 8.078 -13.720 -2.006 1.00 1.37 H new ATOM 376 N MET A 163 7.585 -13.040 -4.949 1.00 1.16 N ATOM 377 CA MET A 163 8.326 -12.899 -6.198 1.00 1.24 C ATOM 378 C MET A 163 7.652 -11.879 -7.106 1.00 1.08 C ATOM 379 O MET A 163 8.307 -10.990 -7.648 1.00 1.04 O ATOM 380 CB MET A 163 8.445 -14.243 -6.917 1.00 1.46 C ATOM 381 CG MET A 163 9.248 -15.281 -6.148 1.00 2.02 C ATOM 382 SD MET A 163 10.935 -14.743 -5.793 1.00 2.40 S ATOM 383 CE MET A 163 11.557 -16.170 -4.901 1.00 2.50 C ATOM 0 H MET A 163 7.183 -13.965 -4.797 1.00 1.16 H new ATOM 0 HA MET A 163 9.329 -12.547 -5.956 1.00 1.24 H new ATOM 0 HB2 MET A 163 7.445 -14.635 -7.103 1.00 1.46 H new ATOM 0 HB3 MET A 163 8.911 -14.084 -7.890 1.00 1.46 H new ATOM 0 HG2 MET A 163 8.739 -15.506 -5.211 1.00 2.02 H new ATOM 0 HG3 MET A 163 9.281 -16.207 -6.723 1.00 2.02 H new ATOM 0 HE1 MET A 163 12.593 -15.994 -4.611 1.00 2.50 H new ATOM 0 HE2 MET A 163 10.953 -16.333 -4.009 1.00 2.50 H new ATOM 0 HE3 MET A 163 11.504 -17.051 -5.541 1.00 2.50 H new ATOM 393 N MET A 164 6.337 -12.000 -7.252 1.00 1.04 N ATOM 394 CA MET A 164 5.566 -11.063 -8.065 1.00 0.97 C ATOM 395 C MET A 164 5.522 -9.689 -7.404 1.00 0.83 C ATOM 396 O MET A 164 5.572 -8.658 -8.081 1.00 0.85 O ATOM 397 CB MET A 164 4.143 -11.590 -8.293 1.00 1.04 C ATOM 398 CG MET A 164 4.072 -12.737 -9.290 1.00 1.06 C ATOM 399 SD MET A 164 4.567 -12.237 -10.949 1.00 1.71 S ATOM 400 CE MET A 164 4.359 -13.775 -11.845 1.00 1.81 C ATOM 0 H MET A 164 5.782 -12.737 -6.818 1.00 1.04 H new ATOM 0 HA MET A 164 6.059 -10.966 -9.033 1.00 0.97 H new ATOM 0 HB2 MET A 164 3.730 -11.921 -7.340 1.00 1.04 H new ATOM 0 HB3 MET A 164 3.514 -10.773 -8.646 1.00 1.04 H new ATOM 0 HG2 MET A 164 4.715 -13.549 -8.951 1.00 1.06 H new ATOM 0 HG3 MET A 164 3.055 -13.127 -9.319 1.00 1.06 H new ATOM 0 HE1 MET A 164 4.489 -13.595 -12.912 1.00 1.81 H new ATOM 0 HE2 MET A 164 5.102 -14.497 -11.506 1.00 1.81 H new ATOM 0 HE3 MET A 164 3.359 -14.170 -11.663 1.00 1.81 H new ATOM 410 N ILE A 165 5.454 -9.692 -6.074 1.00 0.75 N ATOM 411 CA ILE A 165 5.384 -8.461 -5.293 1.00 0.65 C ATOM 412 C ILE A 165 6.637 -7.616 -5.462 1.00 0.62 C ATOM 413 O ILE A 165 6.555 -6.432 -5.794 1.00 0.56 O ATOM 414 CB ILE A 165 5.185 -8.763 -3.792 1.00 0.69 C ATOM 415 CG1 ILE A 165 3.804 -9.371 -3.566 1.00 0.74 C ATOM 416 CG2 ILE A 165 5.369 -7.500 -2.950 1.00 0.68 C ATOM 417 CD1 ILE A 165 3.614 -9.952 -2.185 1.00 0.90 C ATOM 0 H ILE A 165 5.446 -10.543 -5.511 1.00 0.75 H new ATOM 0 HA ILE A 165 4.526 -7.903 -5.669 1.00 0.65 H new ATOM 0 HB ILE A 165 5.941 -9.482 -3.477 1.00 0.69 H new ATOM 0 HG12 ILE A 165 3.048 -8.605 -3.735 1.00 0.74 H new ATOM 0 HG13 ILE A 165 3.636 -10.154 -4.306 1.00 0.74 H new ATOM 0 HG21 ILE A 165 5.223 -7.740 -1.897 1.00 0.68 H new ATOM 0 HG22 ILE A 165 6.375 -7.108 -3.097 1.00 0.68 H new ATOM 0 HG23 ILE A 165 4.639 -6.750 -3.255 1.00 0.68 H new ATOM 0 HD11 ILE A 165 2.609 -10.365 -2.099 1.00 0.90 H new ATOM 0 HD12 ILE A 165 4.347 -10.742 -2.019 1.00 0.90 H new ATOM 0 HD13 ILE A 165 3.749 -9.169 -1.439 1.00 0.90 H new ATOM 429 N SER A 166 7.796 -8.231 -5.301 1.00 0.71 N ATOM 430 CA SER A 166 9.024 -7.468 -5.234 1.00 0.73 C ATOM 431 C SER A 166 9.475 -7.093 -6.633 1.00 0.65 C ATOM 432 O SER A 166 10.046 -6.025 -6.840 1.00 0.65 O ATOM 433 CB SER A 166 10.120 -8.254 -4.512 1.00 0.87 C ATOM 434 OG SER A 166 9.881 -8.301 -3.118 1.00 1.94 O ATOM 0 H SER A 166 7.910 -9.241 -5.216 1.00 0.71 H new ATOM 0 HA SER A 166 8.835 -6.558 -4.665 1.00 0.73 H new ATOM 0 HB2 SER A 166 10.167 -9.268 -4.910 1.00 0.87 H new ATOM 0 HB3 SER A 166 11.089 -7.792 -4.702 1.00 0.87 H new ATOM 0 HG SER A 166 10.279 -7.514 -2.691 1.00 1.94 H new ATOM 440 N SER A 167 9.194 -7.966 -7.597 1.00 0.70 N ATOM 441 CA SER A 167 9.566 -7.700 -8.973 1.00 0.63 C ATOM 442 C SER A 167 8.811 -6.486 -9.494 1.00 0.50 C ATOM 443 O SER A 167 9.432 -5.497 -9.845 1.00 0.71 O ATOM 444 CB SER A 167 9.308 -8.923 -9.855 1.00 0.78 C ATOM 445 OG SER A 167 7.971 -9.369 -9.732 1.00 1.37 O ATOM 0 H SER A 167 8.714 -8.854 -7.448 1.00 0.70 H new ATOM 0 HA SER A 167 10.634 -7.485 -9.008 1.00 0.63 H new ATOM 0 HB2 SER A 167 9.517 -8.675 -10.896 1.00 0.78 H new ATOM 0 HB3 SER A 167 9.989 -9.727 -9.576 1.00 0.78 H new ATOM 0 HG SER A 167 7.853 -9.815 -8.867 1.00 1.37 H new ATOM 451 N GLU A 168 7.477 -6.566 -9.559 1.00 0.56 N ATOM 452 CA GLU A 168 6.654 -5.418 -9.952 1.00 0.44 C ATOM 453 C GLU A 168 7.118 -4.109 -9.320 1.00 0.34 C ATOM 454 O GLU A 168 7.384 -3.140 -10.030 1.00 0.48 O ATOM 455 CB GLU A 168 5.190 -5.670 -9.594 1.00 0.53 C ATOM 456 CG GLU A 168 4.220 -4.800 -10.377 1.00 0.95 C ATOM 457 CD GLU A 168 4.497 -4.816 -11.871 1.00 1.02 C ATOM 458 OE1 GLU A 168 4.574 -5.912 -12.465 1.00 1.26 O ATOM 459 OE2 GLU A 168 4.657 -3.729 -12.462 1.00 1.21 O ATOM 0 H GLU A 168 6.947 -7.411 -9.345 1.00 0.56 H new ATOM 0 HA GLU A 168 6.763 -5.312 -11.031 1.00 0.44 H new ATOM 0 HB2 GLU A 168 4.954 -6.719 -9.776 1.00 0.53 H new ATOM 0 HB3 GLU A 168 5.048 -5.491 -8.528 1.00 0.53 H new ATOM 0 HG2 GLU A 168 3.202 -5.144 -10.196 1.00 0.95 H new ATOM 0 HG3 GLU A 168 4.280 -3.775 -10.011 1.00 0.95 H new ATOM 466 N LEU A 169 7.224 -4.087 -7.998 1.00 0.36 N ATOM 467 CA LEU A 169 7.573 -2.865 -7.287 1.00 0.45 C ATOM 468 C LEU A 169 8.970 -2.372 -7.669 1.00 0.50 C ATOM 469 O LEU A 169 9.134 -1.241 -8.126 1.00 0.50 O ATOM 470 CB LEU A 169 7.489 -3.106 -5.780 1.00 0.54 C ATOM 471 CG LEU A 169 6.103 -3.519 -5.272 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.154 -3.858 -3.794 1.00 0.66 C ATOM 473 CD2 LEU A 169 5.094 -2.415 -5.523 1.00 0.47 C ATOM 0 H LEU A 169 7.074 -4.898 -7.398 1.00 0.36 H new ATOM 0 HA LEU A 169 6.862 -2.090 -7.572 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.206 -3.882 -5.510 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.794 -2.196 -5.263 1.00 0.54 H new ATOM 0 HG LEU A 169 5.790 -4.408 -5.820 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.160 -4.149 -3.453 1.00 0.66 H new ATOM 0 HD12 LEU A 169 6.848 -4.683 -3.634 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.490 -2.986 -3.232 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.116 -2.726 -5.156 1.00 0.47 H new ATOM 0 HD22 LEU A 169 5.407 -1.511 -5.001 1.00 0.47 H new ATOM 0 HD23 LEU A 169 5.033 -2.214 -6.593 1.00 0.47 H new ATOM 485 N ALA A 170 9.964 -3.223 -7.479 1.00 0.55 N ATOM 486 CA ALA A 170 11.352 -2.854 -7.737 1.00 0.60 C ATOM 487 C ALA A 170 11.665 -2.657 -9.228 1.00 0.59 C ATOM 488 O ALA A 170 12.659 -2.009 -9.571 1.00 0.64 O ATOM 489 CB ALA A 170 12.281 -3.893 -7.132 1.00 0.62 C ATOM 0 H ALA A 170 9.838 -4.179 -7.146 1.00 0.55 H new ATOM 0 HA ALA A 170 11.515 -1.886 -7.263 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.316 -3.613 -7.327 1.00 0.62 H new ATOM 0 HB2 ALA A 170 12.116 -3.946 -6.056 1.00 0.62 H new ATOM 0 HB3 ALA A 170 12.078 -4.866 -7.578 1.00 0.62 H new ATOM 495 N LYS A 171 10.837 -3.203 -10.110 1.00 0.55 N ATOM 496 CA LYS A 171 11.077 -3.100 -11.539 1.00 0.59 C ATOM 497 C LYS A 171 10.507 -1.794 -12.088 1.00 0.64 C ATOM 498 O LYS A 171 11.044 -1.232 -13.046 1.00 0.78 O ATOM 499 CB LYS A 171 10.484 -4.318 -12.259 1.00 0.58 C ATOM 500 CG LYS A 171 9.765 -3.982 -13.545 1.00 0.63 C ATOM 501 CD LYS A 171 9.250 -5.227 -14.247 1.00 0.67 C ATOM 502 CE LYS A 171 7.983 -5.762 -13.599 1.00 0.96 C ATOM 503 NZ LYS A 171 6.807 -4.905 -13.901 1.00 0.93 N ATOM 0 H LYS A 171 9.995 -3.721 -9.859 1.00 0.55 H new ATOM 0 HA LYS A 171 12.152 -3.089 -11.719 1.00 0.59 H new ATOM 0 HB2 LYS A 171 11.285 -5.024 -12.477 1.00 0.58 H new ATOM 0 HB3 LYS A 171 9.789 -4.822 -11.587 1.00 0.58 H new ATOM 0 HG2 LYS A 171 8.930 -3.314 -13.331 1.00 0.63 H new ATOM 0 HG3 LYS A 171 10.441 -3.444 -14.209 1.00 0.63 H new ATOM 0 HD2 LYS A 171 9.053 -4.998 -15.294 1.00 0.67 H new ATOM 0 HD3 LYS A 171 10.020 -5.998 -14.229 1.00 0.67 H new ATOM 0 HE2 LYS A 171 7.794 -6.776 -13.951 1.00 0.96 H new ATOM 0 HE3 LYS A 171 8.123 -5.820 -12.520 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 5.936 -5.467 -13.814 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 6.775 -4.111 -13.230 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 6.886 -4.537 -14.870 1.00 0.93 H new ATOM 517 N LYS A 172 9.421 -1.317 -11.478 1.00 0.60 N ATOM 518 CA LYS A 172 8.856 -0.023 -11.841 1.00 0.64 C ATOM 519 C LYS A 172 9.908 1.065 -11.652 1.00 0.54 C ATOM 520 O LYS A 172 10.423 1.260 -10.550 1.00 0.62 O ATOM 521 CB LYS A 172 7.608 0.289 -11.002 1.00 0.80 C ATOM 522 CG LYS A 172 6.365 -0.499 -11.405 1.00 0.78 C ATOM 523 CD LYS A 172 5.185 -0.157 -10.504 1.00 0.67 C ATOM 524 CE LYS A 172 3.918 -0.924 -10.875 1.00 0.91 C ATOM 525 NZ LYS A 172 3.295 -0.433 -12.135 1.00 1.40 N ATOM 0 H LYS A 172 8.920 -1.806 -10.736 1.00 0.60 H new ATOM 0 HA LYS A 172 8.554 -0.056 -12.888 1.00 0.64 H new ATOM 0 HB2 LYS A 172 7.829 0.085 -9.954 1.00 0.80 H new ATOM 0 HB3 LYS A 172 7.389 1.354 -11.080 1.00 0.80 H new ATOM 0 HG2 LYS A 172 6.111 -0.279 -12.442 1.00 0.78 H new ATOM 0 HG3 LYS A 172 6.573 -1.567 -11.348 1.00 0.78 H new ATOM 0 HD2 LYS A 172 5.448 -0.377 -9.469 1.00 0.67 H new ATOM 0 HD3 LYS A 172 4.987 0.913 -10.562 1.00 0.67 H new ATOM 0 HE2 LYS A 172 4.157 -1.982 -10.982 1.00 0.91 H new ATOM 0 HE3 LYS A 172 3.197 -0.841 -10.062 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 2.282 -0.260 -11.977 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 3.756 0.452 -12.428 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 3.412 -1.148 -12.881 1.00 1.40 H new ATOM 539 N PRO A 173 10.254 1.765 -12.746 1.00 0.47 N ATOM 540 CA PRO A 173 11.304 2.788 -12.756 1.00 0.42 C ATOM 541 C PRO A 173 11.108 3.831 -11.666 1.00 0.35 C ATOM 542 O PRO A 173 9.971 4.153 -11.303 1.00 0.35 O ATOM 543 CB PRO A 173 11.184 3.415 -14.143 1.00 0.43 C ATOM 544 CG PRO A 173 10.584 2.339 -14.975 1.00 0.62 C ATOM 545 CD PRO A 173 9.627 1.620 -14.069 1.00 0.53 C ATOM 0 HA PRO A 173 12.288 2.363 -12.559 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.554 4.304 -14.126 1.00 0.43 H new ATOM 0 HB3 PRO A 173 12.157 3.721 -14.528 1.00 0.43 H new ATOM 0 HG2 PRO A 173 10.068 2.754 -15.841 1.00 0.62 H new ATOM 0 HG3 PRO A 173 11.350 1.662 -15.354 1.00 0.62 H new ATOM 0 HD2 PRO A 173 8.633 2.066 -14.096 1.00 0.53 H new ATOM 0 HD3 PRO A 173 9.514 0.573 -14.350 1.00 0.53 H new ATOM 553 N LYS A 174 12.231 4.344 -11.158 1.00 0.34 N ATOM 554 CA LYS A 174 12.270 5.182 -9.960 1.00 0.36 C ATOM 555 C LYS A 174 11.217 6.280 -9.976 1.00 0.32 C ATOM 556 O LYS A 174 10.677 6.621 -8.929 1.00 0.34 O ATOM 557 CB LYS A 174 13.656 5.792 -9.780 1.00 0.43 C ATOM 558 CG LYS A 174 13.932 6.254 -8.357 1.00 0.59 C ATOM 559 CD LYS A 174 15.374 6.683 -8.182 1.00 0.82 C ATOM 560 CE LYS A 174 15.836 6.486 -6.750 1.00 1.58 C ATOM 561 NZ LYS A 174 15.703 5.064 -6.327 1.00 2.38 N ATOM 0 H LYS A 174 13.149 4.186 -11.573 1.00 0.34 H new ATOM 0 HA LYS A 174 12.044 4.531 -9.116 1.00 0.36 H new ATOM 0 HB2 LYS A 174 14.408 5.058 -10.068 1.00 0.43 H new ATOM 0 HB3 LYS A 174 13.762 6.640 -10.457 1.00 0.43 H new ATOM 0 HG2 LYS A 174 13.272 7.085 -8.109 1.00 0.59 H new ATOM 0 HG3 LYS A 174 13.704 5.447 -7.661 1.00 0.59 H new ATOM 0 HD2 LYS A 174 16.011 6.109 -8.855 1.00 0.82 H new ATOM 0 HD3 LYS A 174 15.480 7.732 -8.460 1.00 0.82 H new ATOM 0 HE2 LYS A 174 16.876 6.800 -6.655 1.00 1.58 H new ATOM 0 HE3 LYS A 174 15.249 7.121 -6.086 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 16.423 4.847 -5.609 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 14.756 4.908 -5.926 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 15.836 4.443 -7.150 1.00 2.38 H new ATOM 575 N GLU A 175 10.940 6.835 -11.151 1.00 0.31 N ATOM 576 CA GLU A 175 9.869 7.815 -11.323 1.00 0.34 C ATOM 577 C GLU A 175 8.593 7.389 -10.595 1.00 0.29 C ATOM 578 O GLU A 175 8.022 8.159 -9.825 1.00 0.33 O ATOM 579 CB GLU A 175 9.589 7.980 -12.821 1.00 0.46 C ATOM 580 CG GLU A 175 8.335 8.777 -13.151 1.00 0.74 C ATOM 581 CD GLU A 175 8.405 10.228 -12.723 1.00 0.83 C ATOM 582 OE1 GLU A 175 9.473 10.652 -12.240 1.00 1.27 O ATOM 583 OE2 GLU A 175 7.401 10.955 -12.868 1.00 1.48 O ATOM 0 H GLU A 175 11.448 6.621 -12.009 1.00 0.31 H new ATOM 0 HA GLU A 175 10.189 8.763 -10.891 1.00 0.34 H new ATOM 0 HB2 GLU A 175 10.446 8.469 -13.285 1.00 0.46 H new ATOM 0 HB3 GLU A 175 9.503 6.991 -13.272 1.00 0.46 H new ATOM 0 HG2 GLU A 175 8.160 8.733 -14.226 1.00 0.74 H new ATOM 0 HG3 GLU A 175 7.479 8.306 -12.668 1.00 0.74 H new ATOM 590 N VAL A 176 8.158 6.162 -10.840 1.00 0.27 N ATOM 591 CA VAL A 176 6.928 5.653 -10.250 1.00 0.26 C ATOM 592 C VAL A 176 7.023 5.513 -8.739 1.00 0.25 C ATOM 593 O VAL A 176 6.173 6.037 -8.022 1.00 0.29 O ATOM 594 CB VAL A 176 6.518 4.306 -10.873 1.00 0.26 C ATOM 595 CG1 VAL A 176 5.395 3.651 -10.075 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.094 4.534 -12.309 1.00 0.32 C ATOM 0 H VAL A 176 8.640 5.498 -11.446 1.00 0.27 H new ATOM 0 HA VAL A 176 6.159 6.394 -10.471 1.00 0.26 H new ATOM 0 HB VAL A 176 7.371 3.628 -10.850 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.126 2.702 -10.538 1.00 0.26 H new ATOM 0 HG12 VAL A 176 5.730 3.474 -9.053 1.00 0.26 H new ATOM 0 HG13 VAL A 176 4.526 4.308 -10.063 1.00 0.26 H new ATOM 0 HG21 VAL A 176 5.802 3.584 -12.757 1.00 0.32 H new ATOM 0 HG22 VAL A 176 5.249 5.222 -12.334 1.00 0.32 H new ATOM 0 HG23 VAL A 176 6.925 4.960 -12.871 1.00 0.32 H new ATOM 606 N GLN A 177 8.044 4.814 -8.253 1.00 0.23 N ATOM 607 CA GLN A 177 8.185 4.603 -6.817 1.00 0.28 C ATOM 608 C GLN A 177 8.287 5.945 -6.095 1.00 0.32 C ATOM 609 O GLN A 177 7.738 6.115 -5.012 1.00 0.37 O ATOM 610 CB GLN A 177 9.387 3.704 -6.498 1.00 0.30 C ATOM 611 CG GLN A 177 10.708 4.202 -7.069 1.00 0.45 C ATOM 612 CD GLN A 177 11.750 3.110 -7.227 1.00 0.87 C ATOM 613 OE1 GLN A 177 12.944 3.351 -7.047 1.00 1.79 O ATOM 614 NE2 GLN A 177 11.319 1.919 -7.620 1.00 0.96 N ATOM 0 H GLN A 177 8.776 4.390 -8.823 1.00 0.23 H new ATOM 0 HA GLN A 177 7.295 4.086 -6.458 1.00 0.28 H new ATOM 0 HB2 GLN A 177 9.483 3.615 -5.416 1.00 0.30 H new ATOM 0 HB3 GLN A 177 9.191 2.704 -6.884 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.525 4.661 -8.040 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.105 4.981 -6.418 1.00 0.45 H new ATOM 0 HE21 GLN A 177 10.321 1.758 -7.758 1.00 0.96 H new ATOM 0 HE22 GLN A 177 11.985 1.164 -7.784 1.00 0.96 H new ATOM 623 N LEU A 178 8.977 6.894 -6.709 1.00 0.35 N ATOM 624 CA LEU A 178 9.045 8.246 -6.176 1.00 0.39 C ATOM 625 C LEU A 178 7.681 8.922 -6.204 1.00 0.39 C ATOM 626 O LEU A 178 7.164 9.313 -5.166 1.00 0.46 O ATOM 627 CB LEU A 178 10.058 9.090 -6.954 1.00 0.44 C ATOM 628 CG LEU A 178 11.498 8.578 -6.915 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.429 9.554 -7.613 1.00 0.58 C ATOM 630 CD2 LEU A 178 11.940 8.350 -5.481 1.00 0.55 C ATOM 0 H LEU A 178 9.497 6.753 -7.575 1.00 0.35 H new ATOM 0 HA LEU A 178 9.371 8.169 -5.139 1.00 0.39 H new ATOM 0 HB2 LEU A 178 9.737 9.146 -7.994 1.00 0.44 H new ATOM 0 HB3 LEU A 178 10.040 10.106 -6.559 1.00 0.44 H new ATOM 0 HG LEU A 178 11.541 7.626 -7.444 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.450 9.173 -7.576 1.00 0.58 H new ATOM 0 HD12 LEU A 178 12.123 9.669 -8.653 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.384 10.521 -7.112 1.00 0.58 H new ATOM 0 HD21 LEU A 178 12.967 7.986 -5.470 1.00 0.55 H new ATOM 0 HD22 LEU A 178 11.882 9.288 -4.929 1.00 0.55 H new ATOM 0 HD23 LEU A 178 11.289 7.612 -5.012 1.00 0.55 H new ATOM 642 N LYS A 179 7.098 9.036 -7.387 1.00 0.36 N ATOM 643 CA LYS A 179 5.864 9.792 -7.564 1.00 0.40 C ATOM 644 C LYS A 179 4.708 9.195 -6.760 1.00 0.31 C ATOM 645 O LYS A 179 3.974 9.933 -6.090 1.00 0.29 O ATOM 646 CB LYS A 179 5.517 9.916 -9.056 1.00 0.49 C ATOM 647 CG LYS A 179 6.121 11.162 -9.708 1.00 0.98 C ATOM 648 CD LYS A 179 7.591 11.346 -9.332 1.00 1.00 C ATOM 649 CE LYS A 179 8.133 12.714 -9.744 1.00 1.36 C ATOM 650 NZ LYS A 179 8.271 12.858 -11.216 1.00 1.52 N ATOM 0 H LYS A 179 7.459 8.614 -8.242 1.00 0.36 H new ATOM 0 HA LYS A 179 6.028 10.796 -7.172 1.00 0.40 H new ATOM 0 HB2 LYS A 179 5.872 9.029 -9.581 1.00 0.49 H new ATOM 0 HB3 LYS A 179 4.433 9.942 -9.171 1.00 0.49 H new ATOM 0 HG2 LYS A 179 6.030 11.085 -10.791 1.00 0.98 H new ATOM 0 HG3 LYS A 179 5.555 12.042 -9.403 1.00 0.98 H new ATOM 0 HD2 LYS A 179 7.706 11.223 -8.255 1.00 1.00 H new ATOM 0 HD3 LYS A 179 8.185 10.565 -9.807 1.00 1.00 H new ATOM 0 HE2 LYS A 179 7.468 13.492 -9.368 1.00 1.36 H new ATOM 0 HE3 LYS A 179 9.104 12.871 -9.275 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 8.190 13.862 -11.476 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 9.200 12.497 -11.515 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 7.520 12.316 -11.690 1.00 1.52 H new ATOM 664 N PHE A 180 4.558 7.869 -6.807 1.00 0.29 N ATOM 665 CA PHE A 180 3.577 7.186 -5.982 1.00 0.23 C ATOM 666 C PHE A 180 3.809 7.540 -4.525 1.00 0.22 C ATOM 667 O PHE A 180 2.969 8.177 -3.906 1.00 0.23 O ATOM 668 CB PHE A 180 3.661 5.658 -6.189 1.00 0.19 C ATOM 669 CG PHE A 180 2.869 4.839 -5.194 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.394 4.509 -3.952 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.589 4.407 -5.505 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.659 3.763 -3.052 1.00 0.17 C ATOM 673 CE2 PHE A 180 0.852 3.661 -4.608 1.00 0.29 C ATOM 674 CZ PHE A 180 1.437 3.329 -3.349 1.00 0.23 C ATOM 0 H PHE A 180 5.106 7.254 -7.409 1.00 0.29 H new ATOM 0 HA PHE A 180 2.578 7.510 -6.274 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.310 5.422 -7.194 1.00 0.19 H new ATOM 0 HB3 PHE A 180 4.707 5.355 -6.137 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.388 4.839 -3.687 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.162 4.658 -6.465 1.00 0.26 H new ATOM 0 HE1 PHE A 180 3.085 3.527 -2.088 1.00 0.17 H new ATOM 0 HE2 PHE A 180 -0.148 3.335 -4.854 1.00 0.29 H new ATOM 0 HZ PHE A 180 0.889 2.727 -2.639 1.00 0.23 H new ATOM 684 N LEU A 181 4.979 7.183 -4.007 1.00 0.25 N ATOM 685 CA LEU A 181 5.261 7.327 -2.585 1.00 0.27 C ATOM 686 C LEU A 181 5.195 8.770 -2.109 1.00 0.29 C ATOM 687 O LEU A 181 4.713 9.025 -1.013 1.00 0.29 O ATOM 688 CB LEU A 181 6.624 6.743 -2.224 1.00 0.31 C ATOM 689 CG LEU A 181 6.758 5.224 -2.334 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.185 4.807 -2.029 1.00 0.37 C ATOM 691 CD2 LEU A 181 5.797 4.528 -1.381 1.00 0.29 C ATOM 0 H LEU A 181 5.747 6.792 -4.552 1.00 0.25 H new ATOM 0 HA LEU A 181 4.476 6.768 -2.075 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.374 7.201 -2.869 1.00 0.31 H new ATOM 0 HB3 LEU A 181 6.862 7.035 -1.201 1.00 0.31 H new ATOM 0 HG LEU A 181 6.507 4.928 -3.353 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.273 3.723 -2.109 1.00 0.37 H new ATOM 0 HD12 LEU A 181 8.862 5.280 -2.741 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.447 5.118 -1.018 1.00 0.37 H new ATOM 0 HD21 LEU A 181 5.909 3.448 -1.476 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.020 4.827 -0.357 1.00 0.29 H new ATOM 0 HD23 LEU A 181 4.773 4.809 -1.627 1.00 0.29 H new ATOM 703 N GLN A 182 5.665 9.710 -2.918 1.00 0.31 N ATOM 704 CA GLN A 182 5.721 11.107 -2.502 1.00 0.35 C ATOM 705 C GLN A 182 4.332 11.674 -2.252 1.00 0.29 C ATOM 706 O GLN A 182 4.056 12.224 -1.184 1.00 0.31 O ATOM 707 CB GLN A 182 6.462 11.942 -3.553 1.00 0.48 C ATOM 708 CG GLN A 182 7.973 11.832 -3.444 1.00 0.78 C ATOM 709 CD GLN A 182 8.705 12.207 -4.718 1.00 1.22 C ATOM 710 OE1 GLN A 182 9.878 11.626 -4.894 1.00 1.83 O flip ATOM 711 NE2 GLN A 182 8.236 13.012 -5.522 1.00 1.51 N flip ATOM 0 H GLN A 182 6.011 9.533 -3.861 1.00 0.31 H new ATOM 0 HA GLN A 182 6.268 11.154 -1.560 1.00 0.35 H new ATOM 0 HB2 GLN A 182 6.151 11.622 -4.548 1.00 0.48 H new ATOM 0 HB3 GLN A 182 6.171 12.987 -3.449 1.00 0.48 H new ATOM 0 HG2 GLN A 182 8.318 12.475 -2.635 1.00 0.78 H new ATOM 0 HG3 GLN A 182 8.235 10.810 -3.172 1.00 0.78 H new ATOM 0 HE21 GLN A 182 7.326 13.437 -5.346 1.00 1.51 H new ATOM 0 HE22 GLN A 182 8.758 13.254 -6.364 1.00 1.51 H new ATOM 720 N LYS A 183 3.449 11.536 -3.226 1.00 0.30 N ATOM 721 CA LYS A 183 2.111 12.094 -3.073 1.00 0.36 C ATOM 722 C LYS A 183 1.182 11.133 -2.328 1.00 0.25 C ATOM 723 O LYS A 183 0.172 11.554 -1.761 1.00 0.27 O ATOM 724 CB LYS A 183 1.531 12.528 -4.421 1.00 0.57 C ATOM 725 CG LYS A 183 1.231 11.420 -5.402 1.00 0.92 C ATOM 726 CD LYS A 183 0.980 12.015 -6.777 1.00 1.07 C ATOM 727 CE LYS A 183 0.153 11.094 -7.639 1.00 0.72 C ATOM 728 NZ LYS A 183 -1.265 11.057 -7.206 1.00 1.46 N ATOM 0 H LYS A 183 3.624 11.057 -4.109 1.00 0.30 H new ATOM 0 HA LYS A 183 2.195 12.990 -2.458 1.00 0.36 H new ATOM 0 HB2 LYS A 183 0.610 13.081 -4.236 1.00 0.57 H new ATOM 0 HB3 LYS A 183 2.231 13.220 -4.889 1.00 0.57 H new ATOM 0 HG2 LYS A 183 2.066 10.721 -5.444 1.00 0.92 H new ATOM 0 HG3 LYS A 183 0.358 10.855 -5.074 1.00 0.92 H new ATOM 0 HD2 LYS A 183 0.469 12.972 -6.672 1.00 1.07 H new ATOM 0 HD3 LYS A 183 1.933 12.215 -7.267 1.00 1.07 H new ATOM 0 HE2 LYS A 183 0.207 11.422 -8.677 1.00 0.72 H new ATOM 0 HE3 LYS A 183 0.571 10.088 -7.600 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -1.876 10.888 -8.031 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 -1.397 10.291 -6.515 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -1.518 11.966 -6.768 1.00 1.46 H new ATOM 742 N PHE A 184 1.521 9.846 -2.330 1.00 0.21 N ATOM 743 CA PHE A 184 0.845 8.882 -1.460 1.00 0.21 C ATOM 744 C PHE A 184 1.119 9.245 -0.008 1.00 0.22 C ATOM 745 O PHE A 184 0.225 9.204 0.829 1.00 0.25 O ATOM 746 CB PHE A 184 1.308 7.446 -1.754 1.00 0.22 C ATOM 747 CG PHE A 184 0.635 6.386 -0.924 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.643 5.947 -1.235 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.291 5.820 0.157 1.00 0.29 C ATOM 750 CE1 PHE A 184 -1.254 4.967 -0.478 1.00 0.22 C ATOM 751 CE2 PHE A 184 0.685 4.839 0.918 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.590 4.411 0.599 1.00 0.26 C ATOM 0 H PHE A 184 2.253 9.447 -2.918 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.227 8.924 -1.652 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.131 7.230 -2.808 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.384 7.386 -1.593 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -1.166 6.376 -2.077 1.00 0.21 H new ATOM 0 HD2 PHE A 184 2.288 6.150 0.408 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -2.251 4.635 -0.728 1.00 0.22 H new ATOM 0 HE2 PHE A 184 1.206 4.408 1.760 1.00 0.32 H new ATOM 0 HZ PHE A 184 -1.067 3.643 1.190 1.00 0.26 H new ATOM 762 N GLN A 185 2.370 9.596 0.279 1.00 0.24 N ATOM 763 CA GLN A 185 2.750 10.130 1.579 1.00 0.30 C ATOM 764 C GLN A 185 1.883 11.328 1.960 1.00 0.32 C ATOM 765 O GLN A 185 1.414 11.433 3.091 1.00 0.39 O ATOM 766 CB GLN A 185 4.217 10.542 1.566 1.00 0.35 C ATOM 767 CG GLN A 185 4.672 11.180 2.859 1.00 0.64 C ATOM 768 CD GLN A 185 6.084 11.708 2.784 1.00 0.53 C ATOM 769 OE1 GLN A 185 6.559 12.132 1.732 1.00 1.22 O ATOM 770 NE2 GLN A 185 6.760 11.673 3.908 1.00 0.82 N ATOM 0 H GLN A 185 3.144 9.518 -0.381 1.00 0.24 H new ATOM 0 HA GLN A 185 2.597 9.347 2.321 1.00 0.30 H new ATOM 0 HB2 GLN A 185 4.832 9.664 1.366 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.383 11.241 0.746 1.00 0.35 H new ATOM 0 HG2 GLN A 185 3.996 11.997 3.114 1.00 0.64 H new ATOM 0 HG3 GLN A 185 4.605 10.448 3.664 1.00 0.64 H new ATOM 0 HE21 GLN A 185 6.322 11.312 4.755 1.00 0.82 H new ATOM 0 HE22 GLN A 185 7.723 12.007 3.934 1.00 0.82 H new ATOM 779 N GLU A 186 1.704 12.255 1.028 1.00 0.29 N ATOM 780 CA GLU A 186 0.779 13.364 1.246 1.00 0.33 C ATOM 781 C GLU A 186 -0.602 12.831 1.617 1.00 0.31 C ATOM 782 O GLU A 186 -1.187 13.248 2.616 1.00 0.35 O ATOM 783 CB GLU A 186 0.662 14.250 0.007 1.00 0.37 C ATOM 784 CG GLU A 186 1.953 14.924 -0.411 1.00 1.12 C ATOM 785 CD GLU A 186 1.714 15.968 -1.481 1.00 1.57 C ATOM 786 OE1 GLU A 186 1.283 15.597 -2.594 1.00 2.39 O ATOM 787 OE2 GLU A 186 1.915 17.167 -1.198 1.00 1.79 O ATOM 0 H GLU A 186 2.179 12.264 0.125 1.00 0.29 H new ATOM 0 HA GLU A 186 1.176 13.966 2.063 1.00 0.33 H new ATOM 0 HB2 GLU A 186 0.298 13.645 -0.823 1.00 0.37 H new ATOM 0 HB3 GLU A 186 -0.089 15.017 0.195 1.00 0.37 H new ATOM 0 HG2 GLU A 186 2.418 15.391 0.457 1.00 1.12 H new ATOM 0 HG3 GLU A 186 2.652 14.175 -0.782 1.00 1.12 H new ATOM 794 N TRP A 187 -1.113 11.923 0.790 1.00 0.26 N ATOM 795 CA TRP A 187 -2.385 11.252 1.045 1.00 0.26 C ATOM 796 C TRP A 187 -2.448 10.669 2.460 1.00 0.26 C ATOM 797 O TRP A 187 -3.421 10.901 3.180 1.00 0.28 O ATOM 798 CB TRP A 187 -2.616 10.149 0.001 1.00 0.24 C ATOM 799 CG TRP A 187 -3.858 9.343 0.246 1.00 0.23 C ATOM 800 CD1 TRP A 187 -5.134 9.693 -0.068 1.00 0.30 C ATOM 801 CD2 TRP A 187 -3.937 8.053 0.865 1.00 0.20 C ATOM 802 NE1 TRP A 187 -6.001 8.703 0.319 1.00 0.28 N ATOM 803 CE2 TRP A 187 -5.291 7.683 0.899 1.00 0.21 C ATOM 804 CE3 TRP A 187 -2.991 7.177 1.391 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.721 6.468 1.451 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.414 5.979 1.931 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.768 5.634 1.958 1.00 0.23 C ATOM 0 H TRP A 187 -0.658 11.632 -0.075 1.00 0.26 H new ATOM 0 HA TRP A 187 -3.177 11.997 0.964 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.676 10.603 -0.988 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.755 9.481 -0.007 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.422 10.615 -0.551 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -7.013 8.722 0.195 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.941 7.431 1.377 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.768 6.202 1.474 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.685 5.296 2.340 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -5.065 4.689 2.388 1.00 0.23 H new ATOM 818 N THR A 188 -1.417 9.930 2.864 1.00 0.25 N ATOM 819 CA THR A 188 -1.409 9.287 4.174 1.00 0.27 C ATOM 820 C THR A 188 -1.324 10.322 5.300 1.00 0.29 C ATOM 821 O THR A 188 -1.796 10.086 6.408 1.00 0.32 O ATOM 822 CB THR A 188 -0.236 8.282 4.330 1.00 0.29 C ATOM 823 OG1 THR A 188 1.019 8.942 4.142 1.00 1.21 O ATOM 824 CG2 THR A 188 -0.338 7.137 3.340 1.00 1.00 C ATOM 0 H THR A 188 -0.580 9.763 2.305 1.00 0.25 H new ATOM 0 HA THR A 188 -2.349 8.740 4.246 1.00 0.27 H new ATOM 0 HB THR A 188 -0.298 7.878 5.340 1.00 0.29 H new ATOM 0 HG1 THR A 188 1.357 9.255 5.007 1.00 1.21 H new ATOM 0 HG21 THR A 188 0.502 6.457 3.483 1.00 1.00 H new ATOM 0 HG22 THR A 188 -1.272 6.599 3.501 1.00 1.00 H new ATOM 0 HG23 THR A 188 -0.317 7.531 2.324 1.00 1.00 H new ATOM 832 N ARG A 189 -0.704 11.463 5.014 1.00 0.28 N ATOM 833 CA ARG A 189 -0.581 12.532 5.999 1.00 0.34 C ATOM 834 C ARG A 189 -1.879 13.312 6.114 1.00 0.36 C ATOM 835 O ARG A 189 -2.285 13.707 7.204 1.00 0.42 O ATOM 836 CB ARG A 189 0.569 13.478 5.640 1.00 0.38 C ATOM 837 CG ARG A 189 1.934 12.831 5.771 1.00 0.46 C ATOM 838 CD ARG A 189 3.062 13.831 5.588 1.00 0.63 C ATOM 839 NE ARG A 189 3.138 14.343 4.224 1.00 1.26 N ATOM 840 CZ ARG A 189 3.842 15.421 3.877 1.00 1.93 C ATOM 841 NH1 ARG A 189 4.489 16.118 4.803 1.00 2.16 N ATOM 842 NH2 ARG A 189 3.891 15.811 2.607 1.00 2.62 N ATOM 0 H ARG A 189 -0.280 11.671 4.110 1.00 0.28 H new ATOM 0 HA ARG A 189 -0.363 12.072 6.963 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.437 13.829 4.617 1.00 0.38 H new ATOM 0 HB3 ARG A 189 0.526 14.355 6.286 1.00 0.38 H new ATOM 0 HG2 ARG A 189 2.020 12.364 6.752 1.00 0.46 H new ATOM 0 HG3 ARG A 189 2.031 12.037 5.030 1.00 0.46 H new ATOM 0 HD2 ARG A 189 2.921 14.663 6.278 1.00 0.63 H new ATOM 0 HD3 ARG A 189 4.009 13.358 5.848 1.00 0.63 H new ATOM 0 HE ARG A 189 2.624 13.849 3.495 1.00 1.26 H new ATOM 0 HH11 ARG A 189 4.448 15.829 5.780 1.00 2.16 H new ATOM 0 HH12 ARG A 189 5.027 16.943 4.537 1.00 2.16 H new ATOM 0 HH21 ARG A 189 3.388 15.285 1.892 1.00 2.62 H new ATOM 0 HH22 ARG A 189 4.431 16.636 2.347 1.00 2.62 H new ATOM 856 N ALA A 190 -2.532 13.539 4.985 1.00 0.34 N ATOM 857 CA ALA A 190 -3.803 14.245 4.976 1.00 0.41 C ATOM 858 C ALA A 190 -4.931 13.354 5.486 1.00 0.34 C ATOM 859 O ALA A 190 -5.989 13.842 5.883 1.00 0.40 O ATOM 860 CB ALA A 190 -4.120 14.746 3.578 1.00 0.54 C ATOM 0 H ALA A 190 -2.204 13.245 4.065 1.00 0.34 H new ATOM 0 HA ALA A 190 -3.717 15.100 5.646 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -5.074 15.272 3.588 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -3.334 15.426 3.248 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -4.179 13.900 2.893 1.00 0.54 H new ATOM 866 N HIS A 191 -4.706 12.046 5.463 1.00 0.36 N ATOM 867 CA HIS A 191 -5.706 11.085 5.918 1.00 0.35 C ATOM 868 C HIS A 191 -5.029 9.933 6.664 1.00 0.28 C ATOM 869 O HIS A 191 -5.043 8.799 6.188 1.00 0.33 O ATOM 870 CB HIS A 191 -6.497 10.506 4.731 1.00 0.58 C ATOM 871 CG HIS A 191 -6.999 11.527 3.754 1.00 0.49 C ATOM 872 ND1 HIS A 191 -8.183 12.210 3.910 1.00 0.53 N ATOM 873 CD2 HIS A 191 -6.458 11.982 2.598 1.00 0.91 C ATOM 874 CE1 HIS A 191 -8.348 13.041 2.898 1.00 0.81 C ATOM 875 NE2 HIS A 191 -7.314 12.924 2.086 1.00 1.04 N ATOM 0 H HIS A 191 -3.838 11.624 5.133 1.00 0.36 H new ATOM 0 HA HIS A 191 -6.391 11.611 6.583 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -5.862 9.797 4.200 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -7.347 9.945 5.118 1.00 0.58 H new ATOM 0 HD2 HIS A 191 -5.524 11.662 2.160 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -9.188 13.705 2.758 1.00 0.81 H new ATOM 0 HE2 HIS A 191 -7.175 13.447 1.221 1.00 1.04 H new ATOM 884 N PRO A 192 -4.420 10.196 7.839 1.00 0.23 N ATOM 885 CA PRO A 192 -3.666 9.175 8.586 1.00 0.25 C ATOM 886 C PRO A 192 -4.529 8.005 9.036 1.00 0.27 C ATOM 887 O PRO A 192 -4.042 6.878 9.161 1.00 0.40 O ATOM 888 CB PRO A 192 -3.114 9.937 9.795 1.00 0.29 C ATOM 889 CG PRO A 192 -3.174 11.374 9.401 1.00 0.45 C ATOM 890 CD PRO A 192 -4.386 11.498 8.528 1.00 0.24 C ATOM 0 HA PRO A 192 -2.893 8.722 7.965 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -3.710 9.747 10.688 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -2.093 9.632 10.022 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -3.253 12.018 10.277 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -2.272 11.673 8.866 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -5.290 11.672 9.112 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -4.296 12.326 7.825 1.00 0.24 H new ATOM 898 N GLU A 193 -5.805 8.263 9.281 1.00 0.26 N ATOM 899 CA GLU A 193 -6.716 7.195 9.648 1.00 0.32 C ATOM 900 C GLU A 193 -7.004 6.336 8.435 1.00 0.28 C ATOM 901 O GLU A 193 -6.771 5.137 8.461 1.00 0.30 O ATOM 902 CB GLU A 193 -8.022 7.736 10.238 1.00 0.46 C ATOM 903 CG GLU A 193 -8.951 6.635 10.737 1.00 0.66 C ATOM 904 CD GLU A 193 -10.116 6.363 9.800 1.00 1.26 C ATOM 905 OE1 GLU A 193 -9.953 5.548 8.865 1.00 1.56 O ATOM 906 OE2 GLU A 193 -11.200 6.962 9.985 1.00 2.02 O ATOM 0 H GLU A 193 -6.227 9.190 9.233 1.00 0.26 H new ATOM 0 HA GLU A 193 -6.237 6.593 10.420 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -7.790 8.410 11.063 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.540 8.325 9.481 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -8.378 5.717 10.869 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -9.339 6.913 11.717 1.00 0.66 H new ATOM 913 N ASP A 194 -7.470 6.971 7.364 1.00 0.29 N ATOM 914 CA ASP A 194 -7.812 6.272 6.131 1.00 0.30 C ATOM 915 C ASP A 194 -6.633 5.446 5.642 1.00 0.23 C ATOM 916 O ASP A 194 -6.770 4.256 5.354 1.00 0.25 O ATOM 917 CB ASP A 194 -8.226 7.276 5.052 1.00 0.36 C ATOM 918 CG ASP A 194 -9.422 8.110 5.469 1.00 0.52 C ATOM 919 OD1 ASP A 194 -10.567 7.659 5.281 1.00 0.75 O ATOM 920 OD2 ASP A 194 -9.219 9.223 6.004 1.00 0.70 O ATOM 0 H ASP A 194 -7.620 7.979 7.326 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.648 5.603 6.335 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -7.386 7.935 4.831 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -8.462 6.741 4.132 1.00 0.36 H new ATOM 925 N ALA A 195 -5.482 6.099 5.539 1.00 0.20 N ATOM 926 CA ALA A 195 -4.231 5.446 5.177 1.00 0.19 C ATOM 927 C ALA A 195 -3.992 4.168 5.972 1.00 0.16 C ATOM 928 O ALA A 195 -3.889 3.082 5.401 1.00 0.18 O ATOM 929 CB ALA A 195 -3.072 6.402 5.399 1.00 0.25 C ATOM 0 H ALA A 195 -5.390 7.101 5.705 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.301 5.171 4.125 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.138 5.911 5.127 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.209 7.289 4.781 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -3.037 6.693 6.449 1.00 0.25 H new ATOM 935 N ALA A 196 -3.905 4.302 7.289 1.00 0.17 N ATOM 936 CA ALA A 196 -3.590 3.169 8.142 1.00 0.20 C ATOM 937 C ALA A 196 -4.697 2.133 8.098 1.00 0.23 C ATOM 938 O ALA A 196 -4.427 0.934 8.113 1.00 0.27 O ATOM 939 CB ALA A 196 -3.322 3.629 9.561 1.00 0.21 C ATOM 0 H ALA A 196 -4.048 5.181 7.786 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.683 2.697 7.765 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -3.088 2.766 10.185 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.479 4.320 9.566 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -4.206 4.132 9.954 1.00 0.21 H new ATOM 945 N SER A 197 -5.934 2.593 8.033 1.00 0.22 N ATOM 946 CA SER A 197 -7.066 1.702 7.883 1.00 0.30 C ATOM 947 C SER A 197 -6.910 0.828 6.639 1.00 0.25 C ATOM 948 O SER A 197 -7.080 -0.396 6.716 1.00 0.24 O ATOM 949 CB SER A 197 -8.368 2.498 7.818 1.00 0.41 C ATOM 950 OG SER A 197 -8.629 3.159 9.046 1.00 0.96 O ATOM 0 H SER A 197 -6.178 3.582 8.082 1.00 0.22 H new ATOM 0 HA SER A 197 -7.102 1.049 8.755 1.00 0.30 H new ATOM 0 HB2 SER A 197 -8.309 3.231 7.013 1.00 0.41 H new ATOM 0 HB3 SER A 197 -9.195 1.829 7.580 1.00 0.41 H new ATOM 0 HG SER A 197 -9.102 3.999 8.871 1.00 0.96 H new ATOM 956 N LEU A 198 -6.559 1.424 5.491 1.00 0.24 N ATOM 957 CA LEU A 198 -6.391 0.670 4.262 1.00 0.22 C ATOM 958 C LEU A 198 -5.220 -0.302 4.372 1.00 0.19 C ATOM 959 O LEU A 198 -5.341 -1.468 4.011 1.00 0.20 O ATOM 960 CB LEU A 198 -6.157 1.653 3.108 1.00 0.21 C ATOM 961 CG LEU A 198 -5.907 1.021 1.738 1.00 0.22 C ATOM 962 CD1 LEU A 198 -7.058 0.112 1.345 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.711 2.102 0.687 1.00 0.24 C ATOM 0 H LEU A 198 -6.388 2.425 5.398 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.291 0.084 4.076 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.024 2.309 3.032 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.303 2.282 3.359 1.00 0.21 H new ATOM 0 HG LEU A 198 -5.000 0.420 1.800 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -6.858 -0.326 0.367 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.163 -0.682 2.084 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -7.980 0.691 1.301 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.534 1.638 -0.283 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.604 2.724 0.634 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -4.854 2.720 0.956 1.00 0.24 H new ATOM 975 N LEU A 199 -4.096 0.190 4.883 1.00 0.18 N ATOM 976 CA LEU A 199 -2.887 -0.619 5.032 1.00 0.21 C ATOM 977 C LEU A 199 -3.108 -1.784 5.994 1.00 0.27 C ATOM 978 O LEU A 199 -2.478 -2.832 5.872 1.00 0.37 O ATOM 979 CB LEU A 199 -1.736 0.246 5.544 1.00 0.21 C ATOM 980 CG LEU A 199 -1.251 1.343 4.599 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.202 2.202 5.278 1.00 0.27 C ATOM 982 CD2 LEU A 199 -0.677 0.734 3.339 1.00 0.31 C ATOM 0 H LEU A 199 -3.995 1.153 5.204 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.639 -1.024 4.051 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -2.046 0.711 6.480 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -0.893 -0.405 5.775 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.103 1.970 4.335 1.00 0.23 H new ATOM 0 HD11 LEU A 199 0.133 2.979 4.591 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.630 2.664 6.167 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.647 1.581 5.565 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.335 1.527 2.674 1.00 0.31 H new ATOM 0 HD22 LEU A 199 0.163 0.089 3.597 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.445 0.146 2.837 1.00 0.31 H new ATOM 994 N GLU A 200 -3.995 -1.578 6.957 1.00 0.27 N ATOM 995 CA GLU A 200 -4.285 -2.585 7.972 1.00 0.37 C ATOM 996 C GLU A 200 -5.141 -3.698 7.375 1.00 0.30 C ATOM 997 O GLU A 200 -5.058 -4.857 7.787 1.00 0.37 O ATOM 998 CB GLU A 200 -5.010 -1.921 9.148 1.00 0.54 C ATOM 999 CG GLU A 200 -4.653 -2.481 10.517 1.00 0.91 C ATOM 1000 CD GLU A 200 -5.209 -3.870 10.761 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -6.431 -4.055 10.616 1.00 2.03 O ATOM 1002 OE2 GLU A 200 -4.417 -4.790 11.069 1.00 1.90 O ATOM 0 H GLU A 200 -4.531 -0.716 7.058 1.00 0.27 H new ATOM 0 HA GLU A 200 -3.353 -3.024 8.329 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -4.787 -0.854 9.138 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -6.085 -2.023 8.998 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -3.568 -2.509 10.619 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -5.028 -1.807 11.287 1.00 0.91 H new ATOM 1009 N LEU A 201 -5.964 -3.344 6.400 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.855 -4.314 5.791 1.00 0.25 C ATOM 1011 C LEU A 201 -6.249 -4.916 4.521 1.00 0.23 C ATOM 1012 O LEU A 201 -6.329 -6.128 4.308 1.00 0.33 O ATOM 1013 CB LEU A 201 -8.215 -3.675 5.494 1.00 0.32 C ATOM 1014 CG LEU A 201 -9.288 -4.641 4.981 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -9.467 -5.800 5.951 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.607 -3.914 4.783 1.00 0.48 C ATOM 0 H LEU A 201 -6.032 -2.401 6.018 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.999 -5.128 6.501 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -8.582 -3.199 6.403 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -8.075 -2.886 4.755 1.00 0.32 H new ATOM 0 HG LEU A 201 -8.962 -5.038 4.020 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -10.233 -6.477 5.572 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.525 -6.338 6.052 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.772 -5.416 6.924 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -11.358 -4.615 4.418 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -10.936 -3.492 5.733 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.475 -3.113 4.056 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.642 -4.086 3.681 1.00 0.19 N ATOM 1029 CA CYS A 202 -5.048 -4.553 2.436 1.00 0.20 C ATOM 1030 C CYS A 202 -3.523 -4.520 2.519 1.00 0.24 C ATOM 1031 O CYS A 202 -2.899 -3.472 2.349 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.530 -3.683 1.280 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.331 -3.595 1.134 1.00 0.27 S ATOM 0 H CYS A 202 -5.549 -3.083 3.841 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.358 -5.584 2.265 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -5.135 -2.675 1.407 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -5.118 -4.072 0.349 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.651 -3.212 -0.067 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.902 -5.680 2.773 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.459 -5.786 2.993 1.00 0.36 C ATOM 1041 C PRO A 203 -0.621 -5.638 1.721 1.00 0.28 C ATOM 1042 O PRO A 203 0.611 -5.592 1.800 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.281 -7.194 3.584 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.659 -7.694 3.865 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.556 -6.983 2.902 1.00 0.38 C ATOM 0 HA PRO A 203 -1.110 -4.979 3.638 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -0.762 -7.849 2.884 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -0.683 -7.163 4.495 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -2.718 -8.774 3.730 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -2.948 -7.486 4.895 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -3.620 -7.503 1.946 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.573 -6.892 3.284 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.263 -5.555 0.550 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.506 -5.378 -0.688 1.00 0.26 C ATOM 1055 C GLN A 204 0.176 -4.024 -0.659 1.00 0.19 C ATOM 1056 O GLN A 204 1.310 -3.878 -1.095 1.00 0.25 O ATOM 1057 CB GLN A 204 -1.381 -5.522 -1.956 1.00 0.39 C ATOM 1058 CG GLN A 204 -1.982 -4.220 -2.486 1.00 0.36 C ATOM 1059 CD GLN A 204 -3.334 -3.914 -1.879 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -3.425 -3.265 -0.839 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -4.394 -4.374 -2.528 1.00 1.12 N ATOM 0 H GLN A 204 -2.275 -5.606 0.436 1.00 0.25 H new ATOM 0 HA GLN A 204 0.237 -6.174 -0.743 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -0.778 -5.972 -2.745 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -2.193 -6.216 -1.740 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -1.299 -3.397 -2.276 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -2.080 -4.284 -3.570 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -4.273 -4.909 -3.388 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -5.331 -4.193 -2.167 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.507 -3.055 -0.076 1.00 0.16 N ATOM 1071 CA LEU A 205 -0.029 -1.689 -0.033 1.00 0.15 C ATOM 1072 C LEU A 205 1.025 -1.519 1.068 1.00 0.18 C ATOM 1073 O LEU A 205 1.995 -0.775 0.898 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.231 -0.767 0.169 1.00 0.15 C ATOM 1075 CG LEU A 205 -0.955 0.734 0.122 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.233 1.115 -1.159 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.265 1.493 0.229 1.00 0.21 C ATOM 0 H LEU A 205 -1.408 -3.195 0.380 1.00 0.16 H new ATOM 0 HA LEU A 205 0.462 -1.427 -0.970 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -1.973 -1.001 -0.595 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.682 -1.001 1.133 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.312 0.997 0.962 1.00 0.19 H new ATOM 0 HD11 LEU A 205 -0.049 2.189 -1.167 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.717 0.583 -1.213 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -0.849 0.846 -2.017 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -2.068 2.565 0.196 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -2.914 1.217 -0.602 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.754 1.243 1.170 1.00 0.21 H new ATOM 1089 N SER A 206 0.818 -2.205 2.195 1.00 0.24 N ATOM 1090 CA SER A 206 1.821 -2.285 3.255 1.00 0.27 C ATOM 1091 C SER A 206 3.203 -2.654 2.686 1.00 0.22 C ATOM 1092 O SER A 206 4.200 -1.975 2.953 1.00 0.20 O ATOM 1093 CB SER A 206 1.384 -3.318 4.301 1.00 0.35 C ATOM 1094 OG SER A 206 -0.031 -3.354 4.397 1.00 0.60 O ATOM 0 H SER A 206 -0.042 -2.716 2.396 1.00 0.24 H new ATOM 0 HA SER A 206 1.905 -1.306 3.726 1.00 0.27 H new ATOM 0 HB2 SER A 206 1.762 -4.303 4.029 1.00 0.35 H new ATOM 0 HB3 SER A 206 1.815 -3.068 5.271 1.00 0.35 H new ATOM 0 HG SER A 206 -0.311 -2.971 5.255 1.00 0.60 H new ATOM 1100 N PHE A 207 3.262 -3.716 1.883 1.00 0.21 N ATOM 1101 CA PHE A 207 4.534 -4.148 1.304 1.00 0.19 C ATOM 1102 C PHE A 207 4.870 -3.388 0.026 1.00 0.18 C ATOM 1103 O PHE A 207 6.044 -3.284 -0.337 1.00 0.20 O ATOM 1104 CB PHE A 207 4.556 -5.653 1.049 1.00 0.24 C ATOM 1105 CG PHE A 207 4.988 -6.444 2.253 1.00 0.24 C ATOM 1106 CD1 PHE A 207 5.949 -5.949 3.117 1.00 0.25 C ATOM 1107 CD2 PHE A 207 4.418 -7.685 2.527 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.338 -6.670 4.228 1.00 0.26 C ATOM 1109 CE2 PHE A 207 4.806 -8.405 3.638 1.00 0.90 C ATOM 1110 CZ PHE A 207 5.807 -7.913 4.462 1.00 0.63 C ATOM 0 H PHE A 207 2.457 -4.286 1.621 1.00 0.21 H new ATOM 0 HA PHE A 207 5.302 -3.916 2.042 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.562 -5.979 0.744 1.00 0.24 H new ATOM 0 HB3 PHE A 207 5.230 -5.866 0.219 1.00 0.24 H new ATOM 0 HD1 PHE A 207 6.400 -4.988 2.920 1.00 0.25 H new ATOM 0 HD2 PHE A 207 3.666 -8.087 1.864 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.061 -6.255 4.914 1.00 0.26 H new ATOM 0 HE2 PHE A 207 4.332 -9.348 3.865 1.00 0.90 H new ATOM 0 HZ PHE A 207 6.168 -8.508 5.288 1.00 0.63 H new ATOM 1120 N VAL A 208 3.848 -2.880 -0.660 1.00 0.17 N ATOM 1121 CA VAL A 208 4.060 -1.954 -1.768 1.00 0.18 C ATOM 1122 C VAL A 208 5.010 -0.850 -1.323 1.00 0.17 C ATOM 1123 O VAL A 208 6.040 -0.600 -1.949 1.00 0.20 O ATOM 1124 CB VAL A 208 2.721 -1.331 -2.249 1.00 0.25 C ATOM 1125 CG1 VAL A 208 2.886 0.129 -2.643 1.00 0.34 C ATOM 1126 CG2 VAL A 208 2.157 -2.119 -3.416 1.00 0.46 C ATOM 0 H VAL A 208 2.869 -3.093 -0.468 1.00 0.17 H new ATOM 0 HA VAL A 208 4.491 -2.507 -2.602 1.00 0.18 H new ATOM 0 HB VAL A 208 2.024 -1.377 -1.412 1.00 0.25 H new ATOM 0 HG11 VAL A 208 1.927 0.527 -2.973 1.00 0.34 H new ATOM 0 HG12 VAL A 208 3.240 0.700 -1.784 1.00 0.34 H new ATOM 0 HG13 VAL A 208 3.610 0.207 -3.454 1.00 0.34 H new ATOM 0 HG21 VAL A 208 1.219 -1.668 -3.740 1.00 0.46 H new ATOM 0 HG22 VAL A 208 2.869 -2.107 -4.241 1.00 0.46 H new ATOM 0 HG23 VAL A 208 1.977 -3.149 -3.107 1.00 0.46 H new ATOM 1136 N THR A 209 4.666 -0.225 -0.204 1.00 0.18 N ATOM 1137 CA THR A 209 5.468 0.842 0.352 1.00 0.20 C ATOM 1138 C THR A 209 6.843 0.316 0.744 1.00 0.20 C ATOM 1139 O THR A 209 7.860 0.911 0.400 1.00 0.21 O ATOM 1140 CB THR A 209 4.774 1.458 1.583 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.390 1.689 1.289 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.433 2.771 1.984 1.00 0.28 C ATOM 0 H THR A 209 3.829 -0.446 0.335 1.00 0.18 H new ATOM 0 HA THR A 209 5.584 1.615 -0.407 1.00 0.20 H new ATOM 0 HB THR A 209 4.867 0.758 2.414 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.904 0.839 1.316 1.00 0.27 H new ATOM 0 HG21 THR A 209 4.923 3.183 2.855 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.480 2.593 2.227 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.368 3.478 1.157 1.00 0.28 H new ATOM 1150 N ALA A 210 6.855 -0.822 1.438 1.00 0.20 N ATOM 1151 CA ALA A 210 8.092 -1.451 1.895 1.00 0.21 C ATOM 1152 C ALA A 210 9.138 -1.578 0.782 1.00 0.17 C ATOM 1153 O ALA A 210 10.221 -1.003 0.883 1.00 0.18 O ATOM 1154 CB ALA A 210 7.793 -2.817 2.486 1.00 0.26 C ATOM 0 H ALA A 210 6.010 -1.331 1.698 1.00 0.20 H new ATOM 0 HA ALA A 210 8.517 -0.801 2.660 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.721 -3.278 2.824 1.00 0.26 H new ATOM 0 HB2 ALA A 210 7.114 -2.707 3.331 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.329 -3.448 1.728 1.00 0.26 H new ATOM 1160 N GLU A 211 8.808 -2.311 -0.277 1.00 0.19 N ATOM 1161 CA GLU A 211 9.773 -2.587 -1.345 1.00 0.20 C ATOM 1162 C GLU A 211 10.197 -1.303 -2.059 1.00 0.18 C ATOM 1163 O GLU A 211 11.362 -1.145 -2.431 1.00 0.22 O ATOM 1164 CB GLU A 211 9.186 -3.578 -2.351 1.00 0.28 C ATOM 1165 CG GLU A 211 10.161 -4.013 -3.440 1.00 1.01 C ATOM 1166 CD GLU A 211 11.345 -4.791 -2.900 1.00 1.30 C ATOM 1167 OE1 GLU A 211 11.160 -5.961 -2.508 1.00 1.63 O ATOM 1168 OE2 GLU A 211 12.469 -4.239 -2.874 1.00 1.87 O ATOM 0 H GLU A 211 7.887 -2.724 -0.422 1.00 0.19 H new ATOM 0 HA GLU A 211 10.659 -3.027 -0.886 1.00 0.20 H new ATOM 0 HB2 GLU A 211 8.840 -4.461 -1.814 1.00 0.28 H new ATOM 0 HB3 GLU A 211 8.312 -3.127 -2.820 1.00 0.28 H new ATOM 0 HG2 GLU A 211 9.632 -4.627 -4.169 1.00 1.01 H new ATOM 0 HG3 GLU A 211 10.523 -3.131 -3.969 1.00 1.01 H new ATOM 1175 N LEU A 212 9.260 -0.371 -2.231 1.00 0.17 N ATOM 1176 CA LEU A 212 9.573 0.889 -2.893 1.00 0.18 C ATOM 1177 C LEU A 212 10.508 1.724 -2.016 1.00 0.18 C ATOM 1178 O LEU A 212 11.367 2.446 -2.517 1.00 0.22 O ATOM 1179 CB LEU A 212 8.294 1.665 -3.227 1.00 0.18 C ATOM 1180 CG LEU A 212 7.319 0.948 -4.165 1.00 0.18 C ATOM 1181 CD1 LEU A 212 6.100 1.819 -4.411 1.00 0.19 C ATOM 1182 CD2 LEU A 212 7.996 0.594 -5.480 1.00 0.20 C ATOM 0 H LEU A 212 8.292 -0.465 -1.925 1.00 0.17 H new ATOM 0 HA LEU A 212 10.081 0.672 -3.832 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.775 1.895 -2.297 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.574 2.617 -3.679 1.00 0.18 H new ATOM 0 HG LEU A 212 6.999 0.020 -3.690 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.412 1.301 -5.079 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.601 2.023 -3.463 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.411 2.759 -4.867 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.284 0.085 -6.130 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.345 1.505 -5.966 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.845 -0.062 -5.287 1.00 0.20 H new ATOM 1194 N LEU A 213 10.338 1.608 -0.705 1.00 0.16 N ATOM 1195 CA LEU A 213 11.257 2.220 0.252 1.00 0.16 C ATOM 1196 C LEU A 213 12.645 1.595 0.126 1.00 0.17 C ATOM 1197 O LEU A 213 13.659 2.300 0.109 1.00 0.23 O ATOM 1198 CB LEU A 213 10.749 2.030 1.687 1.00 0.17 C ATOM 1199 CG LEU A 213 9.438 2.738 2.033 1.00 0.20 C ATOM 1200 CD1 LEU A 213 8.977 2.349 3.433 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.595 4.248 1.920 1.00 0.24 C ATOM 0 H LEU A 213 9.569 1.093 -0.276 1.00 0.16 H new ATOM 0 HA LEU A 213 11.315 3.286 0.030 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.621 0.963 1.868 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.520 2.380 2.374 1.00 0.17 H new ATOM 0 HG LEU A 213 8.678 2.422 1.319 1.00 0.20 H new ATOM 0 HD11 LEU A 213 8.043 2.861 3.664 1.00 0.22 H new ATOM 0 HD12 LEU A 213 8.821 1.271 3.478 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.737 2.636 4.159 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.651 4.732 2.170 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.370 4.586 2.609 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.877 4.509 0.900 1.00 0.24 H new ATOM 1213 N LEU A 214 12.668 0.267 0.030 1.00 0.18 N ATOM 1214 CA LEU A 214 13.910 -0.497 -0.065 1.00 0.22 C ATOM 1215 C LEU A 214 14.700 -0.114 -1.306 1.00 0.27 C ATOM 1216 O LEU A 214 15.897 0.170 -1.231 1.00 0.36 O ATOM 1217 CB LEU A 214 13.613 -2.003 -0.106 1.00 0.20 C ATOM 1218 CG LEU A 214 12.827 -2.553 1.084 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.533 -4.031 0.883 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.589 -2.327 2.381 1.00 0.32 C ATOM 0 H LEU A 214 11.827 -0.309 0.016 1.00 0.18 H new ATOM 0 HA LEU A 214 14.504 -0.263 0.818 1.00 0.22 H new ATOM 0 HB2 LEU A 214 13.057 -2.221 -1.018 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.559 -2.540 -0.173 1.00 0.20 H new ATOM 0 HG LEU A 214 11.880 -2.018 1.151 1.00 0.23 H new ATOM 0 HD11 LEU A 214 11.973 -4.410 1.738 1.00 0.25 H new ATOM 0 HD12 LEU A 214 11.945 -4.165 -0.025 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.471 -4.579 0.792 1.00 0.25 H new ATOM 0 HD21 LEU A 214 13.013 -2.726 3.216 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.552 -2.834 2.330 1.00 0.32 H new ATOM 0 HD23 LEU A 214 13.749 -1.259 2.528 1.00 0.32 H new ATOM 1232 N THR A 215 14.028 -0.125 -2.448 1.00 0.34 N ATOM 1233 CA THR A 215 14.674 0.160 -3.716 1.00 0.43 C ATOM 1234 C THR A 215 15.122 1.627 -3.800 1.00 0.39 C ATOM 1235 O THR A 215 16.138 1.938 -4.424 1.00 0.42 O ATOM 1236 CB THR A 215 13.757 -0.212 -4.908 1.00 0.60 C ATOM 1237 OG1 THR A 215 14.454 -0.050 -6.149 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.492 0.627 -4.921 1.00 0.55 C ATOM 0 H THR A 215 13.031 -0.329 -2.520 1.00 0.34 H new ATOM 0 HA THR A 215 15.567 -0.461 -3.775 1.00 0.43 H new ATOM 0 HB THR A 215 13.474 -1.258 -4.786 1.00 0.60 H new ATOM 0 HG1 THR A 215 13.861 -0.291 -6.891 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.873 0.339 -5.771 1.00 0.55 H new ATOM 0 HG22 THR A 215 11.938 0.464 -3.997 1.00 0.55 H new ATOM 0 HG23 THR A 215 12.756 1.681 -5.005 1.00 0.55 H new ATOM 1246 N ASN A 216 14.379 2.533 -3.161 1.00 0.39 N ATOM 1247 CA ASN A 216 14.787 3.933 -3.090 1.00 0.44 C ATOM 1248 C ASN A 216 15.968 4.124 -2.150 1.00 0.39 C ATOM 1249 O ASN A 216 16.681 5.121 -2.234 1.00 0.50 O ATOM 1250 CB ASN A 216 13.621 4.819 -2.651 1.00 0.51 C ATOM 1251 CG ASN A 216 12.708 5.183 -3.801 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.162 5.375 -4.928 1.00 1.85 O ATOM 1253 ND2 ASN A 216 11.416 5.272 -3.528 1.00 1.13 N ATOM 0 H ASN A 216 13.499 2.323 -2.690 1.00 0.39 H new ATOM 0 HA ASN A 216 15.098 4.230 -4.092 1.00 0.44 H new ATOM 0 HB2 ASN A 216 13.045 4.303 -1.883 1.00 0.51 H new ATOM 0 HB3 ASN A 216 14.011 5.730 -2.198 1.00 0.51 H new ATOM 0 HD21 ASN A 216 10.754 5.508 -4.267 1.00 1.13 H new ATOM 0 HD22 ASN A 216 11.083 5.105 -2.579 1.00 1.13 H new ATOM 1260 N GLY A 217 16.161 3.178 -1.241 1.00 0.29 N ATOM 1261 CA GLY A 217 17.322 3.200 -0.382 1.00 0.26 C ATOM 1262 C GLY A 217 17.137 4.051 0.861 1.00 0.31 C ATOM 1263 O GLY A 217 18.021 4.101 1.710 1.00 0.40 O ATOM 0 H GLY A 217 15.529 2.393 -1.085 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.562 2.180 -0.082 1.00 0.26 H new ATOM 0 HA3 GLY A 217 18.175 3.576 -0.947 1.00 0.26 H new ATOM 1267 N ILE A 218 15.997 4.728 0.965 1.00 0.42 N ATOM 1268 CA ILE A 218 15.698 5.535 2.143 1.00 0.55 C ATOM 1269 C ILE A 218 15.528 4.652 3.378 1.00 0.45 C ATOM 1270 O ILE A 218 15.969 4.997 4.475 1.00 0.55 O ATOM 1271 CB ILE A 218 14.414 6.365 1.939 1.00 0.76 C ATOM 1272 CG1 ILE A 218 14.497 7.160 0.633 1.00 1.00 C ATOM 1273 CG2 ILE A 218 14.189 7.304 3.121 1.00 0.89 C ATOM 1274 CD1 ILE A 218 15.709 8.066 0.540 1.00 2.21 C ATOM 0 H ILE A 218 15.268 4.734 0.251 1.00 0.42 H new ATOM 0 HA ILE A 218 16.540 6.211 2.293 1.00 0.55 H new ATOM 0 HB ILE A 218 13.567 5.682 1.877 1.00 0.76 H new ATOM 0 HG12 ILE A 218 14.512 6.463 -0.205 1.00 1.00 H new ATOM 0 HG13 ILE A 218 13.596 7.764 0.529 1.00 1.00 H new ATOM 0 HG21 ILE A 218 13.279 7.881 2.959 1.00 0.89 H new ATOM 0 HG22 ILE A 218 14.090 6.720 4.036 1.00 0.89 H new ATOM 0 HG23 ILE A 218 15.037 7.982 3.213 1.00 0.89 H new ATOM 0 HD11 ILE A 218 15.696 8.594 -0.413 1.00 2.21 H new ATOM 0 HD12 ILE A 218 15.687 8.789 1.356 1.00 2.21 H new ATOM 0 HD13 ILE A 218 16.617 7.467 0.611 1.00 2.21 H new ATOM 1286 N CYS A 219 14.884 3.511 3.193 1.00 0.39 N ATOM 1287 CA CYS A 219 14.659 2.580 4.284 1.00 0.42 C ATOM 1288 C CYS A 219 15.082 1.175 3.867 1.00 0.35 C ATOM 1289 O CYS A 219 14.919 0.786 2.711 1.00 0.34 O ATOM 1290 CB CYS A 219 13.183 2.594 4.691 1.00 0.53 C ATOM 1291 SG CYS A 219 12.532 4.251 5.026 1.00 0.86 S ATOM 0 H CYS A 219 14.507 3.208 2.295 1.00 0.39 H new ATOM 0 HA CYS A 219 15.259 2.886 5.141 1.00 0.42 H new ATOM 0 HB2 CYS A 219 12.593 2.136 3.898 1.00 0.53 H new ATOM 0 HB3 CYS A 219 13.055 1.977 5.580 1.00 0.53 H new ATOM 0 HG CYS A 219 11.791 4.218 6.094 1.00 0.86 H new ATOM 1297 N LYS A 220 15.647 0.424 4.801 1.00 0.39 N ATOM 1298 CA LYS A 220 16.086 -0.931 4.523 1.00 0.42 C ATOM 1299 C LYS A 220 15.212 -1.923 5.280 1.00 0.36 C ATOM 1300 O LYS A 220 14.313 -1.518 6.015 1.00 0.31 O ATOM 1301 CB LYS A 220 17.558 -1.101 4.907 1.00 0.54 C ATOM 1302 CG LYS A 220 18.474 -0.051 4.287 1.00 0.63 C ATOM 1303 CD LYS A 220 18.378 -0.044 2.769 1.00 1.57 C ATOM 1304 CE LYS A 220 19.153 1.116 2.165 1.00 2.57 C ATOM 1305 NZ LYS A 220 20.625 0.950 2.301 1.00 3.40 N ATOM 0 H LYS A 220 15.811 0.733 5.759 1.00 0.39 H new ATOM 0 HA LYS A 220 15.989 -1.126 3.455 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.650 -1.056 5.992 1.00 0.54 H new ATOM 0 HB3 LYS A 220 17.893 -2.091 4.599 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.211 0.934 4.672 1.00 0.63 H new ATOM 0 HG3 LYS A 220 19.504 -0.245 4.585 1.00 0.63 H new ATOM 0 HD2 LYS A 220 18.764 -0.984 2.375 1.00 1.57 H new ATOM 0 HD3 LYS A 220 17.332 0.022 2.470 1.00 1.57 H new ATOM 0 HE2 LYS A 220 18.897 1.209 1.110 1.00 2.57 H new ATOM 0 HE3 LYS A 220 18.849 2.044 2.650 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 21.107 1.766 1.874 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 20.876 0.888 3.308 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 20.922 0.080 1.816 1.00 3.40 H new ATOM 1319 N VAL A 221 15.458 -3.215 5.085 1.00 0.40 N ATOM 1320 CA VAL A 221 14.665 -4.255 5.740 1.00 0.41 C ATOM 1321 C VAL A 221 14.596 -4.027 7.252 1.00 0.40 C ATOM 1322 O VAL A 221 13.525 -4.104 7.860 1.00 0.39 O ATOM 1323 CB VAL A 221 15.244 -5.657 5.454 1.00 0.50 C ATOM 1324 CG1 VAL A 221 14.378 -6.740 6.080 1.00 0.55 C ATOM 1325 CG2 VAL A 221 15.376 -5.879 3.955 1.00 0.55 C ATOM 0 H VAL A 221 16.199 -3.569 4.480 1.00 0.40 H new ATOM 0 HA VAL A 221 13.657 -4.199 5.330 1.00 0.41 H new ATOM 0 HB VAL A 221 16.235 -5.715 5.903 1.00 0.50 H new ATOM 0 HG11 VAL A 221 14.807 -7.719 5.864 1.00 0.55 H new ATOM 0 HG12 VAL A 221 14.334 -6.593 7.159 1.00 0.55 H new ATOM 0 HG13 VAL A 221 13.371 -6.686 5.666 1.00 0.55 H new ATOM 0 HG21 VAL A 221 15.786 -6.872 3.769 1.00 0.55 H new ATOM 0 HG22 VAL A 221 14.395 -5.798 3.487 1.00 0.55 H new ATOM 0 HG23 VAL A 221 16.042 -5.127 3.533 1.00 0.55 H new ATOM 1335 N ASP A 222 15.739 -3.697 7.838 1.00 0.44 N ATOM 1336 CA ASP A 222 15.843 -3.474 9.279 1.00 0.50 C ATOM 1337 C ASP A 222 15.043 -2.253 9.728 1.00 0.42 C ATOM 1338 O ASP A 222 14.785 -2.087 10.915 1.00 0.43 O ATOM 1339 CB ASP A 222 17.307 -3.311 9.683 1.00 0.68 C ATOM 1340 CG ASP A 222 18.067 -4.622 9.655 1.00 1.28 C ATOM 1341 OD1 ASP A 222 18.336 -5.143 8.552 1.00 2.02 O ATOM 1342 OD2 ASP A 222 18.401 -5.138 10.742 1.00 1.91 O ATOM 0 H ASP A 222 16.617 -3.576 7.334 1.00 0.44 H new ATOM 0 HA ASP A 222 15.421 -4.348 9.775 1.00 0.50 H new ATOM 0 HB2 ASP A 222 17.789 -2.601 9.011 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.359 -2.886 10.686 1.00 0.68 H new ATOM 1347 N ASP A 223 14.669 -1.396 8.783 1.00 0.38 N ATOM 1348 CA ASP A 223 13.861 -0.213 9.085 1.00 0.37 C ATOM 1349 C ASP A 223 12.369 -0.539 9.023 1.00 0.30 C ATOM 1350 O ASP A 223 11.530 0.242 9.466 1.00 0.31 O ATOM 1351 CB ASP A 223 14.173 0.928 8.106 1.00 0.44 C ATOM 1352 CG ASP A 223 15.607 1.411 8.192 1.00 0.52 C ATOM 1353 OD1 ASP A 223 15.964 2.067 9.194 1.00 0.59 O ATOM 1354 OD2 ASP A 223 16.385 1.151 7.252 1.00 0.61 O ATOM 0 H ASP A 223 14.912 -1.497 7.798 1.00 0.38 H new ATOM 0 HA ASP A 223 14.114 0.105 10.096 1.00 0.37 H new ATOM 0 HB2 ASP A 223 13.970 0.592 7.089 1.00 0.44 H new ATOM 0 HB3 ASP A 223 13.502 1.764 8.306 1.00 0.44 H new ATOM 1359 N LEU A 224 12.050 -1.710 8.488 1.00 0.28 N ATOM 1360 CA LEU A 224 10.660 -2.129 8.315 1.00 0.28 C ATOM 1361 C LEU A 224 10.214 -3.007 9.482 1.00 0.28 C ATOM 1362 O LEU A 224 9.042 -3.062 9.832 1.00 0.26 O ATOM 1363 CB LEU A 224 10.502 -2.885 6.994 1.00 0.35 C ATOM 1364 CG LEU A 224 10.967 -2.125 5.749 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.769 -2.978 4.509 1.00 0.49 C ATOM 1366 CD2 LEU A 224 10.221 -0.804 5.613 1.00 0.41 C ATOM 0 H LEU A 224 12.736 -2.391 8.164 1.00 0.28 H new ATOM 0 HA LEU A 224 10.029 -1.240 8.293 1.00 0.28 H new ATOM 0 HB2 LEU A 224 11.060 -3.819 7.059 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.452 -3.149 6.868 1.00 0.35 H new ATOM 0 HG LEU A 224 12.029 -1.905 5.856 1.00 0.39 H new ATOM 0 HD11 LEU A 224 11.103 -2.426 3.631 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.348 -3.896 4.603 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.713 -3.225 4.402 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.567 -0.281 4.722 1.00 0.41 H new ATOM 0 HD22 LEU A 224 9.152 -0.997 5.528 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.410 -0.188 6.492 1.00 0.41 H new ATOM 1378 N ILE A 225 11.172 -3.702 10.065 1.00 0.37 N ATOM 1379 CA ILE A 225 10.929 -4.513 11.261 1.00 0.42 C ATOM 1380 C ILE A 225 10.415 -3.675 12.452 1.00 0.40 C ATOM 1381 O ILE A 225 9.614 -4.170 13.240 1.00 0.48 O ATOM 1382 CB ILE A 225 12.193 -5.298 11.659 1.00 0.49 C ATOM 1383 CG1 ILE A 225 12.844 -5.854 10.388 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.841 -6.417 12.634 1.00 0.71 C ATOM 1385 CD1 ILE A 225 13.860 -6.944 10.625 1.00 0.59 C ATOM 0 H ILE A 225 12.136 -3.726 9.733 1.00 0.37 H new ATOM 0 HA ILE A 225 10.141 -5.220 11.004 1.00 0.42 H new ATOM 0 HB ILE A 225 12.898 -4.638 12.164 1.00 0.49 H new ATOM 0 HG12 ILE A 225 12.062 -6.241 9.735 1.00 0.56 H new ATOM 0 HG13 ILE A 225 13.327 -5.035 9.856 1.00 0.56 H new ATOM 0 HG21 ILE A 225 12.746 -6.962 12.905 1.00 0.71 H new ATOM 0 HG22 ILE A 225 11.392 -5.990 13.531 1.00 0.71 H new ATOM 0 HG23 ILE A 225 11.133 -7.100 12.164 1.00 0.71 H new ATOM 0 HD11 ILE A 225 14.267 -7.276 9.670 1.00 0.59 H new ATOM 0 HD12 ILE A 225 14.667 -6.560 11.250 1.00 0.59 H new ATOM 0 HD13 ILE A 225 13.381 -7.785 11.127 1.00 0.59 H new ATOM 1397 N PRO A 226 10.871 -2.411 12.636 1.00 0.36 N ATOM 1398 CA PRO A 226 10.236 -1.483 13.588 1.00 0.39 C ATOM 1399 C PRO A 226 8.756 -1.239 13.275 1.00 0.38 C ATOM 1400 O PRO A 226 7.974 -0.907 14.165 1.00 0.52 O ATOM 1401 CB PRO A 226 11.029 -0.186 13.420 1.00 0.43 C ATOM 1402 CG PRO A 226 12.349 -0.618 12.892 1.00 0.44 C ATOM 1403 CD PRO A 226 12.070 -1.814 12.027 1.00 0.37 C ATOM 0 HA PRO A 226 10.253 -1.882 14.602 1.00 0.39 H new ATOM 0 HB2 PRO A 226 10.531 0.497 12.731 1.00 0.43 H new ATOM 0 HB3 PRO A 226 11.135 0.340 14.369 1.00 0.43 H new ATOM 0 HG2 PRO A 226 12.821 0.179 12.317 1.00 0.44 H new ATOM 0 HG3 PRO A 226 13.031 -0.872 13.703 1.00 0.44 H new ATOM 0 HD2 PRO A 226 11.892 -1.526 10.991 1.00 0.37 H new ATOM 0 HD3 PRO A 226 12.908 -2.511 12.025 1.00 0.37 H new ATOM 1411 N LEU A 227 8.381 -1.391 12.007 1.00 0.29 N ATOM 1412 CA LEU A 227 6.982 -1.266 11.609 1.00 0.35 C ATOM 1413 C LEU A 227 6.236 -2.516 12.032 1.00 0.43 C ATOM 1414 O LEU A 227 5.066 -2.469 12.392 1.00 0.70 O ATOM 1415 CB LEU A 227 6.843 -1.078 10.098 1.00 0.33 C ATOM 1416 CG LEU A 227 7.643 0.077 9.514 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.430 0.151 8.016 1.00 0.33 C ATOM 1418 CD2 LEU A 227 7.236 1.373 10.177 1.00 0.37 C ATOM 0 H LEU A 227 9.022 -1.600 11.242 1.00 0.29 H new ATOM 0 HA LEU A 227 6.563 -0.386 12.097 1.00 0.35 H new ATOM 0 HB2 LEU A 227 7.151 -1.999 9.603 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.790 -0.926 9.862 1.00 0.33 H new ATOM 0 HG LEU A 227 8.704 -0.090 9.703 1.00 0.31 H new ATOM 0 HD11 LEU A 227 8.007 0.981 7.607 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.758 -0.781 7.555 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.372 0.306 7.806 1.00 0.33 H new ATOM 0 HD21 LEU A 227 7.813 2.195 9.754 1.00 0.37 H new ATOM 0 HD22 LEU A 227 6.174 1.550 10.008 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.427 1.309 11.248 1.00 0.37 H new ATOM 1430 N ALA A 228 6.938 -3.636 11.970 1.00 0.54 N ATOM 1431 CA ALA A 228 6.398 -4.900 12.427 1.00 0.66 C ATOM 1432 C ALA A 228 6.237 -4.884 13.940 1.00 0.73 C ATOM 1433 O ALA A 228 7.000 -4.231 14.656 1.00 1.47 O ATOM 1434 CB ALA A 228 7.295 -6.049 12.000 1.00 0.76 C ATOM 0 H ALA A 228 7.889 -3.692 11.605 1.00 0.54 H new ATOM 0 HA ALA A 228 5.418 -5.045 11.972 1.00 0.66 H new ATOM 0 HB1 ALA A 228 6.873 -6.990 12.352 1.00 0.76 H new ATOM 0 HB2 ALA A 228 7.368 -6.069 10.913 1.00 0.76 H new ATOM 0 HB3 ALA A 228 8.288 -5.914 12.428 1.00 0.76 H new ATOM 1441 N GLU B 630 -10.633 10.261 -3.751 1.00 1.19 N ATOM 1442 CA GLU B 630 -9.913 9.631 -2.648 1.00 0.73 C ATOM 1443 C GLU B 630 -8.559 9.062 -3.080 1.00 0.58 C ATOM 1444 O GLU B 630 -7.549 9.771 -3.050 1.00 0.83 O ATOM 1445 CB GLU B 630 -10.791 8.560 -1.979 1.00 1.57 C ATOM 1446 CG GLU B 630 -11.921 9.135 -1.116 1.00 2.16 C ATOM 1447 CD GLU B 630 -12.932 9.970 -1.891 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -12.659 11.167 -2.152 1.00 3.07 O ATOM 1449 OE2 GLU B 630 -14.011 9.444 -2.233 1.00 3.66 O ATOM 0 HA GLU B 630 -9.694 10.406 -1.914 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -11.224 7.924 -2.751 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -10.161 7.923 -1.358 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -12.444 8.313 -0.626 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -11.485 9.750 -0.329 1.00 2.16 H new ATOM 1455 N LEU B 631 -8.541 7.798 -3.472 1.00 0.48 N ATOM 1456 CA LEU B 631 -7.315 7.139 -3.901 1.00 0.35 C ATOM 1457 C LEU B 631 -6.932 7.525 -5.325 1.00 0.41 C ATOM 1458 O LEU B 631 -7.709 7.365 -6.267 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.471 5.628 -3.777 1.00 0.31 C ATOM 1460 CG LEU B 631 -7.416 5.104 -2.345 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.880 3.671 -2.294 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -6.004 5.211 -1.797 1.00 0.27 C ATOM 0 H LEU B 631 -9.369 7.203 -3.502 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.507 7.472 -3.250 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -8.422 5.335 -4.222 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.685 5.145 -4.358 1.00 0.31 H new ATOM 0 HG LEU B 631 -8.079 5.712 -1.730 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -7.835 3.310 -1.266 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.906 3.608 -2.657 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -7.235 3.057 -2.922 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -5.981 4.833 -0.775 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -5.328 4.622 -2.417 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.688 6.254 -1.806 1.00 0.27 H new ATOM 1474 N PRO B 632 -5.722 8.064 -5.482 1.00 0.41 N ATOM 1475 CA PRO B 632 -5.202 8.500 -6.774 1.00 0.52 C ATOM 1476 C PRO B 632 -4.752 7.342 -7.676 1.00 0.48 C ATOM 1477 O PRO B 632 -4.530 6.220 -7.214 1.00 0.46 O ATOM 1478 CB PRO B 632 -4.010 9.395 -6.405 1.00 0.70 C ATOM 1479 CG PRO B 632 -4.030 9.522 -4.912 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.766 8.322 -4.404 1.00 0.41 C ATOM 0 HA PRO B 632 -5.972 9.008 -7.355 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -3.073 8.955 -6.746 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -4.095 10.372 -6.880 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -3.017 9.557 -4.510 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -4.527 10.443 -4.606 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -4.099 7.475 -4.240 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -5.266 8.522 -3.456 1.00 0.41 H new ATOM 1488 N THR B 633 -4.638 7.650 -8.965 1.00 0.55 N ATOM 1489 CA THR B 633 -4.308 6.689 -10.024 1.00 0.66 C ATOM 1490 C THR B 633 -3.216 5.668 -9.657 1.00 0.56 C ATOM 1491 O THR B 633 -3.462 4.456 -9.696 1.00 0.55 O ATOM 1492 CB THR B 633 -3.887 7.455 -11.291 1.00 0.91 C ATOM 1493 OG1 THR B 633 -3.079 8.588 -10.927 1.00 1.82 O ATOM 1494 CG2 THR B 633 -5.104 7.931 -12.064 1.00 1.32 C ATOM 0 H THR B 633 -4.775 8.598 -9.315 1.00 0.55 H new ATOM 0 HA THR B 633 -5.213 6.105 -10.187 1.00 0.66 H new ATOM 0 HB THR B 633 -3.313 6.780 -11.925 1.00 0.91 H new ATOM 0 HG1 THR B 633 -2.811 9.072 -11.736 1.00 1.82 H new ATOM 0 HG21 THR B 633 -4.781 8.470 -12.955 1.00 1.32 H new ATOM 0 HG22 THR B 633 -5.707 7.072 -12.358 1.00 1.32 H new ATOM 0 HG23 THR B 633 -5.698 8.594 -11.435 1.00 1.32 H new ATOM 1502 N GLU B 634 -2.025 6.160 -9.302 1.00 0.55 N ATOM 1503 CA GLU B 634 -0.856 5.312 -9.050 1.00 0.54 C ATOM 1504 C GLU B 634 -1.149 4.226 -8.014 1.00 0.43 C ATOM 1505 O GLU B 634 -0.645 3.108 -8.113 1.00 0.45 O ATOM 1506 CB GLU B 634 0.347 6.161 -8.606 1.00 0.62 C ATOM 1507 CG GLU B 634 0.173 6.888 -7.276 1.00 1.26 C ATOM 1508 CD GLU B 634 -0.820 8.033 -7.319 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -1.244 8.445 -8.427 1.00 1.70 O ATOM 1510 OE2 GLU B 634 -1.163 8.549 -6.241 1.00 1.65 O ATOM 0 H GLU B 634 -1.844 7.157 -9.181 1.00 0.55 H new ATOM 0 HA GLU B 634 -0.612 4.815 -9.989 1.00 0.54 H new ATOM 0 HB2 GLU B 634 1.222 5.515 -8.537 1.00 0.62 H new ATOM 0 HB3 GLU B 634 0.556 6.899 -9.381 1.00 0.62 H new ATOM 0 HG2 GLU B 634 -0.150 6.170 -6.522 1.00 1.26 H new ATOM 0 HG3 GLU B 634 1.141 7.273 -6.956 1.00 1.26 H new ATOM 1517 N VAL B 635 -1.971 4.565 -7.032 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.320 3.629 -5.976 1.00 0.28 C ATOM 1519 C VAL B 635 -3.154 2.477 -6.520 1.00 0.27 C ATOM 1520 O VAL B 635 -2.772 1.315 -6.378 1.00 0.28 O ATOM 1521 CB VAL B 635 -3.067 4.332 -4.827 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -3.330 3.371 -3.674 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -2.274 5.541 -4.353 1.00 0.35 C ATOM 0 H VAL B 635 -2.409 5.482 -6.945 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.389 3.225 -5.579 1.00 0.28 H new ATOM 0 HB VAL B 635 -4.033 4.671 -5.200 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.858 3.895 -2.877 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.938 2.538 -4.026 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -2.382 2.992 -3.292 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -2.810 6.032 -3.541 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -1.295 5.218 -3.999 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -2.148 6.241 -5.179 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.289 2.807 -7.132 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.189 1.807 -7.720 1.00 0.33 C ATOM 1535 C LEU B 636 -4.428 0.751 -8.530 1.00 0.34 C ATOM 1536 O LEU B 636 -4.521 -0.453 -8.246 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.221 2.494 -8.620 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.041 3.603 -7.953 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -7.971 4.255 -8.961 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.835 3.060 -6.773 1.00 0.51 C ATOM 0 H LEU B 636 -4.613 3.769 -7.236 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.691 1.299 -6.896 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -5.703 2.916 -9.481 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -6.907 1.737 -9.001 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.348 4.356 -7.578 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -8.546 5.040 -8.471 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -7.384 4.687 -9.771 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -8.652 3.506 -9.366 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.408 3.868 -6.318 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.516 2.283 -7.119 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -7.150 2.641 -6.036 1.00 0.51 H new ATOM 1552 N ASP B 637 -3.665 1.207 -9.525 1.00 0.36 N ATOM 1553 CA ASP B 637 -2.898 0.314 -10.392 1.00 0.41 C ATOM 1554 C ASP B 637 -1.977 -0.578 -9.580 1.00 0.37 C ATOM 1555 O ASP B 637 -1.971 -1.799 -9.743 1.00 0.40 O ATOM 1556 CB ASP B 637 -2.062 1.127 -11.393 1.00 0.49 C ATOM 1557 CG ASP B 637 -1.103 0.266 -12.201 1.00 1.37 C ATOM 1558 OD1 ASP B 637 -1.551 -0.362 -13.184 1.00 1.43 O ATOM 1559 OD2 ASP B 637 0.102 0.218 -11.860 1.00 2.30 O ATOM 0 H ASP B 637 -3.562 2.196 -9.750 1.00 0.36 H new ATOM 0 HA ASP B 637 -3.608 -0.312 -10.933 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -2.731 1.654 -12.074 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -1.495 1.885 -10.853 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.237 0.034 -8.671 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.185 -0.665 -7.963 1.00 0.31 C ATOM 1566 C LEU B 638 -0.746 -1.729 -7.027 1.00 0.32 C ATOM 1567 O LEU B 638 -0.124 -2.767 -6.814 1.00 0.38 O ATOM 1568 CB LEU B 638 0.680 0.307 -7.179 1.00 0.29 C ATOM 1569 CG LEU B 638 1.888 -0.336 -6.515 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.736 -1.069 -7.538 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.708 0.710 -5.808 1.00 0.33 C ATOM 0 H LEU B 638 -1.347 1.013 -8.408 1.00 0.32 H new ATOM 0 HA LEU B 638 0.430 -1.162 -8.714 1.00 0.31 H new ATOM 0 HB2 LEU B 638 1.023 1.094 -7.850 1.00 0.29 H new ATOM 0 HB3 LEU B 638 0.069 0.785 -6.413 1.00 0.29 H new ATOM 0 HG LEU B 638 1.534 -1.061 -5.782 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.595 -1.521 -7.042 1.00 0.35 H new ATOM 0 HD12 LEU B 638 2.140 -1.848 -8.014 1.00 0.35 H new ATOM 0 HD13 LEU B 638 3.083 -0.365 -8.294 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.570 0.239 -5.336 1.00 0.33 H new ATOM 0 HD22 LEU B 638 3.050 1.453 -6.529 1.00 0.33 H new ATOM 0 HD23 LEU B 638 2.099 1.197 -5.047 1.00 0.33 H new ATOM 1583 N LEU B 639 -1.918 -1.472 -6.469 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.533 -2.428 -5.563 1.00 0.30 C ATOM 1585 C LEU B 639 -2.946 -3.677 -6.324 1.00 0.33 C ATOM 1586 O LEU B 639 -2.853 -4.793 -5.817 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.765 -1.829 -4.879 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.543 -0.504 -4.153 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -4.826 -0.049 -3.479 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.424 -0.636 -3.140 1.00 0.31 C ATOM 0 H LEU B 639 -2.457 -0.620 -6.625 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.797 -2.684 -4.800 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.540 -1.684 -5.631 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -4.148 -2.555 -4.162 1.00 0.30 H new ATOM 0 HG LEU B 639 -3.254 0.250 -4.885 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.652 0.897 -2.966 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.604 0.084 -4.230 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -5.144 -0.801 -2.757 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -2.279 0.317 -2.632 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.684 -1.401 -2.409 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.503 -0.919 -3.650 1.00 0.31 H new ATOM 1602 N SER B 640 -3.415 -3.472 -7.546 1.00 0.38 N ATOM 1603 CA SER B 640 -3.959 -4.558 -8.343 1.00 0.44 C ATOM 1604 C SER B 640 -2.891 -5.335 -9.117 1.00 0.50 C ATOM 1605 O SER B 640 -3.120 -6.486 -9.485 1.00 0.57 O ATOM 1606 CB SER B 640 -5.002 -3.996 -9.299 1.00 0.53 C ATOM 1607 OG SER B 640 -5.701 -5.033 -9.968 1.00 1.17 O ATOM 0 H SER B 640 -3.429 -2.562 -8.006 1.00 0.38 H new ATOM 0 HA SER B 640 -4.413 -5.273 -7.657 1.00 0.44 H new ATOM 0 HB2 SER B 640 -5.708 -3.376 -8.746 1.00 0.53 H new ATOM 0 HB3 SER B 640 -4.517 -3.351 -10.031 1.00 0.53 H new ATOM 0 HG SER B 640 -6.365 -4.642 -10.574 1.00 1.17 H new ATOM 1613 N VAL B 641 -1.739 -4.723 -9.374 1.00 0.52 N ATOM 1614 CA VAL B 641 -0.693 -5.392 -10.151 1.00 0.57 C ATOM 1615 C VAL B 641 0.027 -6.474 -9.346 1.00 0.60 C ATOM 1616 O VAL B 641 0.865 -7.199 -9.884 1.00 0.68 O ATOM 1617 CB VAL B 641 0.353 -4.400 -10.708 1.00 0.55 C ATOM 1618 CG1 VAL B 641 -0.278 -3.477 -11.734 1.00 0.57 C ATOM 1619 CG2 VAL B 641 1.006 -3.600 -9.588 1.00 0.49 C ATOM 0 H VAL B 641 -1.505 -3.780 -9.063 1.00 0.52 H new ATOM 0 HA VAL B 641 -1.213 -5.861 -10.986 1.00 0.57 H new ATOM 0 HB VAL B 641 1.134 -4.978 -11.201 1.00 0.55 H new ATOM 0 HG11 VAL B 641 0.475 -2.786 -12.114 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -0.677 -4.068 -12.558 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -1.086 -2.913 -11.268 1.00 0.57 H new ATOM 0 HG21 VAL B 641 1.737 -2.911 -10.011 1.00 0.49 H new ATOM 0 HG22 VAL B 641 0.243 -3.035 -9.052 1.00 0.49 H new ATOM 0 HG23 VAL B 641 1.506 -4.280 -8.898 1.00 0.49 H new ATOM 1629 N ILE B 642 -0.303 -6.594 -8.066 1.00 0.57 N ATOM 1630 CA ILE B 642 0.342 -7.581 -7.212 1.00 0.62 C ATOM 1631 C ILE B 642 -0.679 -8.515 -6.552 1.00 0.72 C ATOM 1632 O ILE B 642 -1.888 -8.302 -6.674 1.00 0.74 O ATOM 1633 CB ILE B 642 1.215 -6.916 -6.124 1.00 0.53 C ATOM 1634 CG1 ILE B 642 0.409 -5.881 -5.347 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.453 -6.285 -6.745 1.00 0.53 C ATOM 1636 CD1 ILE B 642 1.184 -5.245 -4.218 1.00 0.55 C ATOM 0 H ILE B 642 -1.009 -6.024 -7.600 1.00 0.57 H new ATOM 0 HA ILE B 642 0.987 -8.173 -7.862 1.00 0.62 H new ATOM 0 HB ILE B 642 1.540 -7.686 -5.424 1.00 0.53 H new ATOM 0 HG12 ILE B 642 0.074 -5.102 -6.032 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.485 -6.356 -4.943 1.00 0.49 H new ATOM 0 HG21 ILE B 642 3.056 -5.822 -5.964 1.00 0.53 H new ATOM 0 HG22 ILE B 642 3.040 -7.054 -7.248 1.00 0.53 H new ATOM 0 HG23 ILE B 642 2.151 -5.527 -7.468 1.00 0.53 H new ATOM 0 HD11 ILE B 642 0.552 -4.519 -3.707 1.00 0.55 H new ATOM 0 HD12 ILE B 642 1.496 -6.015 -3.512 1.00 0.55 H new ATOM 0 HD13 ILE B 642 2.064 -4.742 -4.619 1.00 0.55 H new ATOM 1648 N PRO B 643 -0.199 -9.587 -5.886 1.00 0.82 N ATOM 1649 CA PRO B 643 -1.052 -10.549 -5.174 1.00 0.95 C ATOM 1650 C PRO B 643 -2.078 -9.914 -4.233 1.00 0.90 C ATOM 1651 O PRO B 643 -1.907 -8.801 -3.733 1.00 0.81 O ATOM 1652 CB PRO B 643 -0.050 -11.366 -4.362 1.00 1.03 C ATOM 1653 CG PRO B 643 1.196 -11.327 -5.165 1.00 1.05 C ATOM 1654 CD PRO B 643 1.225 -9.971 -5.811 1.00 0.83 C ATOM 0 HA PRO B 643 -1.656 -11.119 -5.880 1.00 0.95 H new ATOM 0 HB2 PRO B 643 0.102 -10.937 -3.372 1.00 1.03 H new ATOM 0 HB3 PRO B 643 -0.397 -12.389 -4.216 1.00 1.03 H new ATOM 0 HG2 PRO B 643 2.072 -11.479 -4.535 1.00 1.05 H new ATOM 0 HG3 PRO B 643 1.202 -12.118 -5.915 1.00 1.05 H new ATOM 0 HD2 PRO B 643 1.801 -9.259 -5.220 1.00 0.83 H new ATOM 0 HD3 PRO B 643 1.682 -10.008 -6.800 1.00 0.83 H new ATOM 1662 N LYS B 644 -3.141 -10.671 -3.997 1.00 1.06 N ATOM 1663 CA LYS B 644 -4.227 -10.258 -3.121 1.00 1.10 C ATOM 1664 C LYS B 644 -3.834 -10.358 -1.655 1.00 1.06 C ATOM 1665 O LYS B 644 -2.852 -11.008 -1.307 1.00 1.07 O ATOM 1666 CB LYS B 644 -5.448 -11.147 -3.332 1.00 1.25 C ATOM 1667 CG LYS B 644 -5.992 -11.154 -4.745 1.00 1.29 C ATOM 1668 CD LYS B 644 -7.438 -11.615 -4.759 1.00 1.65 C ATOM 1669 CE LYS B 644 -7.842 -12.148 -6.117 1.00 1.87 C ATOM 1670 NZ LYS B 644 -7.128 -13.410 -6.440 1.00 2.25 N ATOM 0 H LYS B 644 -3.274 -11.594 -4.411 1.00 1.06 H new ATOM 0 HA LYS B 644 -4.454 -9.221 -3.369 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -5.189 -12.168 -3.052 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -6.238 -10.822 -2.655 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -5.919 -10.154 -5.173 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -5.389 -11.813 -5.369 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -7.580 -12.391 -4.007 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -8.088 -10.783 -4.486 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -8.918 -12.322 -6.135 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -7.627 -11.401 -6.881 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -7.664 -13.938 -7.158 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -6.181 -13.189 -6.809 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -7.038 -13.988 -5.580 1.00 2.25 H new ATOM 1684 N ARG B 645 -4.645 -9.733 -0.806 1.00 1.06 N ATOM 1685 CA ARG B 645 -4.515 -9.836 0.653 1.00 1.06 C ATOM 1686 C ARG B 645 -4.428 -11.292 1.139 1.00 1.05 C ATOM 1687 O ARG B 645 -3.933 -11.556 2.230 1.00 1.08 O ATOM 1688 CB ARG B 645 -5.703 -9.137 1.325 1.00 1.16 C ATOM 1689 CG ARG B 645 -7.051 -9.745 0.969 1.00 1.55 C ATOM 1690 CD ARG B 645 -8.206 -8.969 1.583 1.00 1.72 C ATOM 1691 NE ARG B 645 -9.497 -9.545 1.214 1.00 2.35 N ATOM 1692 CZ ARG B 645 -10.459 -8.879 0.567 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -10.293 -7.598 0.250 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -11.592 -9.493 0.244 1.00 3.87 N ATOM 0 H ARG B 645 -5.416 -9.137 -1.107 1.00 1.06 H new ATOM 0 HA ARG B 645 -3.580 -9.348 0.930 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -5.571 -9.175 2.406 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -5.702 -8.085 1.041 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -7.164 -9.766 -0.115 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -7.085 -10.779 1.313 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -8.106 -8.964 2.668 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -8.163 -7.931 1.254 1.00 1.72 H new ATOM 0 HE ARG B 645 -9.676 -10.517 1.466 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -9.428 -7.119 0.501 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -11.030 -7.095 -0.244 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -11.729 -10.474 0.490 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -12.325 -8.984 -0.250 1.00 3.87 H new ATOM 1708 N GLN B 646 -4.887 -12.232 0.316 1.00 1.11 N ATOM 1709 CA GLN B 646 -4.922 -13.646 0.697 1.00 1.17 C ATOM 1710 C GLN B 646 -3.536 -14.279 0.589 1.00 1.20 C ATOM 1711 O GLN B 646 -3.329 -15.424 0.990 1.00 1.26 O ATOM 1712 CB GLN B 646 -5.911 -14.402 -0.192 1.00 1.26 C ATOM 1713 CG GLN B 646 -5.587 -14.304 -1.675 1.00 1.46 C ATOM 1714 CD GLN B 646 -6.573 -15.048 -2.554 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -6.834 -14.643 -3.690 1.00 2.61 O ATOM 1716 NE2 GLN B 646 -7.116 -16.144 -2.047 1.00 2.10 N ATOM 0 H GLN B 646 -5.241 -12.042 -0.621 1.00 1.11 H new ATOM 0 HA GLN B 646 -5.246 -13.711 1.736 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -5.923 -15.452 0.101 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -6.914 -14.012 -0.020 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -5.570 -13.254 -1.968 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -4.586 -14.699 -1.848 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -6.873 -16.444 -1.103 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -7.778 -16.688 -2.600 1.00 2.10 H new ATOM 1725 N TYR B 647 -2.590 -13.511 0.067 1.00 1.25 N ATOM 1726 CA TYR B 647 -1.240 -14.006 -0.162 1.00 1.33 C ATOM 1727 C TYR B 647 -0.265 -13.440 0.867 1.00 1.38 C ATOM 1728 O TYR B 647 0.922 -13.764 0.856 1.00 1.55 O ATOM 1729 CB TYR B 647 -0.770 -13.657 -1.575 1.00 1.39 C ATOM 1730 CG TYR B 647 -1.580 -14.309 -2.678 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -1.381 -15.640 -3.005 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -2.553 -13.603 -3.375 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -2.122 -16.254 -3.997 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -3.304 -14.211 -4.368 1.00 1.64 C ATOM 1735 CZ TYR B 647 -3.053 -15.477 -4.732 1.00 1.74 C ATOM 1736 OH TYR B 647 -3.827 -16.150 -5.657 1.00 1.90 O ATOM 0 H TYR B 647 -2.734 -12.539 -0.207 1.00 1.25 H new ATOM 0 HA TYR B 647 -1.262 -15.091 -0.055 1.00 1.33 H new ATOM 0 HB2 TYR B 647 -0.809 -12.575 -1.702 1.00 1.39 H new ATOM 0 HB3 TYR B 647 0.274 -13.953 -1.682 1.00 1.39 H new ATOM 0 HD1 TYR B 647 -0.632 -16.209 -2.474 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -2.727 -12.564 -3.139 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -1.994 -17.305 -4.208 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -4.097 -13.661 -4.852 1.00 1.64 H new ATOM 0 HH TYR B 647 -4.545 -15.562 -5.972 1.00 1.90 H new ATOM 1808 N LEU B 652 4.184 -9.369 8.578 1.00 1.24 N ATOM 1809 CA LEU B 652 3.515 -8.232 7.964 1.00 0.65 C ATOM 1810 C LEU B 652 3.874 -6.932 8.680 1.00 0.61 C ATOM 1811 O LEU B 652 4.162 -6.934 9.877 1.00 1.04 O ATOM 1812 CB LEU B 652 2.006 -8.457 7.998 1.00 1.15 C ATOM 1813 CG LEU B 652 1.545 -9.779 7.379 1.00 1.20 C ATOM 1814 CD1 LEU B 652 0.038 -9.934 7.504 1.00 2.09 C ATOM 1815 CD2 LEU B 652 1.981 -9.869 5.926 1.00 1.12 C ATOM 0 HA LEU B 652 3.848 -8.144 6.930 1.00 0.65 H new ATOM 0 HB2 LEU B 652 1.669 -8.419 9.034 1.00 1.15 H new ATOM 0 HB3 LEU B 652 1.517 -7.636 7.474 1.00 1.15 H new ATOM 0 HG LEU B 652 2.015 -10.597 7.926 1.00 1.20 H new ATOM 0 HD11 LEU B 652 -0.269 -10.880 7.058 1.00 2.09 H new ATOM 0 HD12 LEU B 652 -0.243 -9.921 8.557 1.00 2.09 H new ATOM 0 HD13 LEU B 652 -0.456 -9.112 6.987 1.00 2.09 H new ATOM 0 HD21 LEU B 652 1.644 -10.815 5.503 1.00 1.12 H new ATOM 0 HD22 LEU B 652 1.544 -9.044 5.363 1.00 1.12 H new ATOM 0 HD23 LEU B 652 3.068 -9.812 5.868 1.00 1.12 H new ATOM 1827 N LEU B 653 3.866 -5.825 7.946 1.00 0.41 N ATOM 1828 CA LEU B 653 4.206 -4.528 8.523 1.00 0.31 C ATOM 1829 C LEU B 653 2.955 -3.838 9.050 1.00 0.30 C ATOM 1830 O LEU B 653 2.043 -3.536 8.277 1.00 0.56 O ATOM 1831 CB LEU B 653 4.864 -3.621 7.481 1.00 0.32 C ATOM 1832 CG LEU B 653 6.088 -4.190 6.755 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.660 -3.141 5.815 1.00 0.44 C ATOM 1834 CD2 LEU B 653 7.151 -4.668 7.742 1.00 0.36 C ATOM 0 H LEU B 653 3.629 -5.798 6.954 1.00 0.41 H new ATOM 0 HA LEU B 653 4.905 -4.704 9.341 1.00 0.31 H new ATOM 0 HB2 LEU B 653 4.115 -3.360 6.734 1.00 0.32 H new ATOM 0 HB3 LEU B 653 5.159 -2.694 7.973 1.00 0.32 H new ATOM 0 HG LEU B 653 5.771 -5.056 6.174 1.00 0.37 H new ATOM 0 HD11 LEU B 653 7.530 -3.549 5.301 1.00 0.44 H new ATOM 0 HD12 LEU B 653 5.904 -2.859 5.082 1.00 0.44 H new ATOM 0 HD13 LEU B 653 6.956 -2.262 6.388 1.00 0.44 H new ATOM 0 HD21 LEU B 653 8.005 -5.065 7.193 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.475 -3.831 8.361 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.733 -5.449 8.377 1.00 0.36 H new ATOM 1846 N ASP B 654 2.900 -3.620 10.362 1.00 0.31 N ATOM 1847 CA ASP B 654 1.787 -2.899 10.981 1.00 0.28 C ATOM 1848 C ASP B 654 1.576 -1.530 10.341 1.00 0.23 C ATOM 1849 O ASP B 654 2.465 -0.672 10.328 1.00 0.29 O ATOM 1850 CB ASP B 654 2.014 -2.741 12.487 1.00 0.38 C ATOM 1851 CG ASP B 654 0.851 -2.053 13.178 1.00 1.10 C ATOM 1852 OD1 ASP B 654 0.730 -0.815 13.060 1.00 1.84 O ATOM 1853 OD2 ASP B 654 0.063 -2.750 13.851 1.00 1.46 O ATOM 0 H ASP B 654 3.614 -3.933 11.020 1.00 0.31 H new ATOM 0 HA ASP B 654 0.887 -3.492 10.816 1.00 0.28 H new ATOM 0 HB2 ASP B 654 2.169 -3.723 12.933 1.00 0.38 H new ATOM 0 HB3 ASP B 654 2.925 -2.167 12.656 1.00 0.38 H new ATOM 1858 N ALA B 655 0.386 -1.374 9.781 1.00 0.22 N ATOM 1859 CA ALA B 655 -0.063 -0.154 9.123 1.00 0.24 C ATOM 1860 C ALA B 655 0.134 1.106 9.961 1.00 0.22 C ATOM 1861 O ALA B 655 0.554 2.132 9.433 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.529 -0.293 8.784 1.00 0.30 C ATOM 0 H ALA B 655 -0.316 -2.114 9.771 1.00 0.22 H new ATOM 0 HA ALA B 655 0.550 -0.035 8.230 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -1.876 0.615 8.291 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -1.669 -1.144 8.118 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -2.101 -0.450 9.699 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.158 1.035 11.256 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.152 2.234 12.087 1.00 0.22 C ATOM 1870 C GLN B 656 1.266 2.721 12.258 1.00 0.23 C ATOM 1871 O GLN B 656 1.534 3.924 12.265 1.00 0.31 O ATOM 1872 CB GLN B 656 -0.783 1.978 13.455 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.295 1.842 13.421 1.00 0.35 C ATOM 1874 CD GLN B 656 -2.897 1.687 14.804 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -2.267 2.299 15.795 1.00 1.67 O flip ATOM 1876 NE2 GLN B 656 -3.927 1.037 14.982 1.00 1.66 N flip ATOM 0 H GLN B 656 -0.398 0.174 11.747 1.00 0.20 H new ATOM 0 HA GLN B 656 -0.749 2.996 11.586 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.356 1.068 13.876 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.517 2.795 14.125 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.724 2.720 12.938 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.565 0.979 12.812 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.384 0.579 14.193 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -4.324 0.956 15.918 1.00 1.66 H new ATOM 1885 N LYS B 657 2.169 1.770 12.387 1.00 0.21 N ATOM 1886 CA LYS B 657 3.583 2.071 12.435 1.00 0.26 C ATOM 1887 C LYS B 657 4.018 2.691 11.120 1.00 0.23 C ATOM 1888 O LYS B 657 4.581 3.782 11.090 1.00 0.26 O ATOM 1889 CB LYS B 657 4.392 0.804 12.703 1.00 0.36 C ATOM 1890 CG LYS B 657 4.475 0.406 14.170 1.00 0.44 C ATOM 1891 CD LYS B 657 3.123 0.053 14.766 1.00 0.79 C ATOM 1892 CE LYS B 657 3.271 -0.582 16.140 1.00 1.31 C ATOM 1893 NZ LYS B 657 4.152 0.218 17.031 1.00 1.90 N ATOM 0 H LYS B 657 1.946 0.777 12.461 1.00 0.21 H new ATOM 0 HA LYS B 657 3.763 2.776 13.246 1.00 0.26 H new ATOM 0 HB2 LYS B 657 3.951 -0.019 12.141 1.00 0.36 H new ATOM 0 HB3 LYS B 657 5.403 0.946 12.320 1.00 0.36 H new ATOM 0 HG2 LYS B 657 5.145 -0.448 14.272 1.00 0.44 H new ATOM 0 HG3 LYS B 657 4.914 1.226 14.739 1.00 0.44 H new ATOM 0 HD2 LYS B 657 2.512 0.952 14.843 1.00 0.79 H new ATOM 0 HD3 LYS B 657 2.598 -0.633 14.101 1.00 0.79 H new ATOM 0 HE2 LYS B 657 2.288 -0.685 16.600 1.00 1.31 H new ATOM 0 HE3 LYS B 657 3.680 -1.587 16.033 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 4.054 -0.119 18.010 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 5.141 0.114 16.726 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 3.878 1.220 16.981 1.00 1.90 H new ATOM 1907 N LEU B 658 3.715 1.989 10.038 1.00 0.25 N ATOM 1908 CA LEU B 658 4.102 2.402 8.691 1.00 0.24 C ATOM 1909 C LEU B 658 3.590 3.794 8.333 1.00 0.23 C ATOM 1910 O LEU B 658 4.303 4.572 7.708 1.00 0.24 O ATOM 1911 CB LEU B 658 3.611 1.359 7.677 1.00 0.25 C ATOM 1912 CG LEU B 658 3.823 1.695 6.197 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.284 2.018 5.919 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.374 0.529 5.326 1.00 0.27 C ATOM 0 H LEU B 658 3.192 1.114 10.066 1.00 0.25 H new ATOM 0 HA LEU B 658 5.190 2.461 8.659 1.00 0.24 H new ATOM 0 HB2 LEU B 658 4.113 0.415 7.888 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.546 1.198 7.842 1.00 0.25 H new ATOM 0 HG LEU B 658 3.224 2.573 5.957 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.410 2.253 4.862 1.00 0.27 H new ATOM 0 HD12 LEU B 658 5.588 2.875 6.520 1.00 0.27 H new ATOM 0 HD13 LEU B 658 5.902 1.157 6.175 1.00 0.27 H new ATOM 0 HD21 LEU B 658 3.529 0.778 4.276 1.00 0.27 H new ATOM 0 HD22 LEU B 658 3.955 -0.358 5.578 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.316 0.331 5.500 1.00 0.27 H new ATOM 1926 N VAL B 659 2.375 4.119 8.741 1.00 0.24 N ATOM 1927 CA VAL B 659 1.791 5.405 8.392 1.00 0.24 C ATOM 1928 C VAL B 659 2.492 6.528 9.133 1.00 0.24 C ATOM 1929 O VAL B 659 2.957 7.486 8.526 1.00 0.27 O ATOM 1930 CB VAL B 659 0.278 5.455 8.684 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.258 6.865 8.511 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.461 4.505 7.768 1.00 0.28 C ATOM 0 H VAL B 659 1.778 3.518 9.309 1.00 0.24 H new ATOM 0 HA VAL B 659 1.929 5.535 7.319 1.00 0.24 H new ATOM 0 HB VAL B 659 0.119 5.150 9.718 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.327 6.876 8.722 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.255 7.536 9.200 1.00 0.30 H new ATOM 0 HG13 VAL B 659 -0.087 7.196 7.487 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.529 4.549 7.983 1.00 0.28 H new ATOM 0 HG22 VAL B 659 -0.288 4.791 6.731 1.00 0.28 H new ATOM 0 HG23 VAL B 659 -0.100 3.489 7.929 1.00 0.28 H new ATOM 1942 N ASN B 660 2.589 6.390 10.442 1.00 0.25 N ATOM 1943 CA ASN B 660 3.237 7.400 11.261 1.00 0.28 C ATOM 1944 C ASN B 660 4.715 7.512 10.903 1.00 0.26 C ATOM 1945 O ASN B 660 5.302 8.592 10.960 1.00 0.30 O ATOM 1946 CB ASN B 660 3.054 7.082 12.744 1.00 0.37 C ATOM 1947 CG ASN B 660 1.641 7.364 13.223 1.00 0.80 C ATOM 1948 OD1 ASN B 660 1.332 8.472 13.656 1.00 1.64 O ATOM 1949 ND2 ASN B 660 0.774 6.361 13.151 1.00 0.51 N ATOM 0 H ASN B 660 2.228 5.590 10.962 1.00 0.25 H new ATOM 0 HA ASN B 660 2.769 8.364 11.061 1.00 0.28 H new ATOM 0 HB2 ASN B 660 3.293 6.033 12.921 1.00 0.37 H new ATOM 0 HB3 ASN B 660 3.759 7.672 13.330 1.00 0.37 H new ATOM 0 HD21 ASN B 660 -0.188 6.495 13.462 1.00 0.51 H new ATOM 0 HD22 ASN B 660 1.070 5.456 12.785 1.00 0.51 H new ATOM 1956 N PHE B 661 5.295 6.387 10.515 1.00 0.24 N ATOM 1957 CA PHE B 661 6.669 6.344 10.039 1.00 0.26 C ATOM 1958 C PHE B 661 6.799 7.125 8.730 1.00 0.27 C ATOM 1959 O PHE B 661 7.650 8.003 8.605 1.00 0.30 O ATOM 1960 CB PHE B 661 7.090 4.880 9.850 1.00 0.29 C ATOM 1961 CG PHE B 661 8.489 4.684 9.345 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.566 5.134 10.085 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.727 4.060 8.130 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.859 4.971 9.625 1.00 0.41 C ATOM 1965 CE2 PHE B 661 10.016 3.894 7.664 1.00 0.34 C ATOM 1966 CZ PHE B 661 11.072 4.292 8.403 1.00 0.37 C ATOM 0 H PHE B 661 4.828 5.480 10.521 1.00 0.24 H new ATOM 0 HA PHE B 661 7.328 6.810 10.772 1.00 0.26 H new ATOM 0 HB2 PHE B 661 6.988 4.362 10.804 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.398 4.405 9.154 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.395 5.619 11.035 1.00 0.37 H new ATOM 0 HD2 PHE B 661 7.896 3.700 7.542 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.694 5.357 10.190 1.00 0.41 H new ATOM 0 HE2 PHE B 661 10.181 3.441 6.698 1.00 0.34 H new ATOM 0 HZ PHE B 661 12.077 4.093 8.062 1.00 0.37 H new ATOM 1976 N LEU B 662 5.921 6.824 7.781 1.00 0.27 N ATOM 1977 CA LEU B 662 5.950 7.455 6.465 1.00 0.28 C ATOM 1978 C LEU B 662 5.634 8.946 6.554 1.00 0.27 C ATOM 1979 O LEU B 662 6.254 9.761 5.873 1.00 0.29 O ATOM 1980 CB LEU B 662 4.945 6.765 5.538 1.00 0.29 C ATOM 1981 CG LEU B 662 4.890 7.298 4.104 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.211 7.064 3.391 1.00 0.38 C ATOM 1983 CD2 LEU B 662 3.745 6.649 3.341 1.00 0.31 C ATOM 0 H LEU B 662 5.173 6.141 7.899 1.00 0.27 H new ATOM 0 HA LEU B 662 6.957 7.348 6.061 1.00 0.28 H new ATOM 0 HB2 LEU B 662 5.182 5.702 5.502 1.00 0.29 H new ATOM 0 HB3 LEU B 662 3.952 6.855 5.978 1.00 0.29 H new ATOM 0 HG LEU B 662 4.713 8.373 4.143 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.149 7.451 2.374 1.00 0.38 H new ATOM 0 HD12 LEU B 662 7.009 7.578 3.926 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.424 5.995 3.361 1.00 0.38 H new ATOM 0 HD21 LEU B 662 3.719 7.038 2.323 1.00 0.31 H new ATOM 0 HD22 LEU B 662 3.892 5.569 3.313 1.00 0.31 H new ATOM 0 HD23 LEU B 662 2.802 6.874 3.839 1.00 0.31 H new ATOM 1995 N ASN B 663 4.674 9.299 7.398 1.00 0.29 N ATOM 1996 CA ASN B 663 4.237 10.688 7.518 1.00 0.36 C ATOM 1997 C ASN B 663 5.333 11.567 8.109 1.00 0.37 C ATOM 1998 O ASN B 663 5.659 12.621 7.562 1.00 0.43 O ATOM 1999 CB ASN B 663 2.975 10.810 8.390 1.00 0.56 C ATOM 2000 CG ASN B 663 1.757 10.132 7.787 1.00 1.05 C ATOM 2001 OD1 ASN B 663 1.753 9.758 6.617 1.00 1.93 O ATOM 2002 ND2 ASN B 663 0.689 10.017 8.568 1.00 1.07 N ATOM 0 H ASN B 663 4.183 8.647 8.009 1.00 0.29 H new ATOM 0 HA ASN B 663 4.008 11.029 6.508 1.00 0.36 H new ATOM 0 HB2 ASN B 663 3.176 10.376 9.369 1.00 0.56 H new ATOM 0 HB3 ASN B 663 2.753 11.865 8.549 1.00 0.56 H new ATOM 0 HD21 ASN B 663 -0.170 9.607 8.200 1.00 1.07 H new ATOM 0 HD22 ASN B 663 0.728 10.338 9.535 1.00 1.07 H new ATOM 2009 N ASP B 664 5.897 11.126 9.224 1.00 0.38 N ATOM 2010 CA ASP B 664 6.812 11.958 9.999 1.00 0.43 C ATOM 2011 C ASP B 664 8.283 11.726 9.643 1.00 0.43 C ATOM 2012 O ASP B 664 9.018 12.675 9.374 1.00 0.56 O ATOM 2013 CB ASP B 664 6.601 11.704 11.495 1.00 0.50 C ATOM 2014 CG ASP B 664 7.538 12.525 12.363 1.00 0.56 C ATOM 2015 OD1 ASP B 664 7.336 13.754 12.465 1.00 0.62 O ATOM 2016 OD2 ASP B 664 8.483 11.943 12.939 1.00 0.64 O ATOM 0 H ASP B 664 5.738 10.197 9.614 1.00 0.38 H new ATOM 0 HA ASP B 664 6.583 12.994 9.750 1.00 0.43 H new ATOM 0 HB2 ASP B 664 5.569 11.938 11.758 1.00 0.50 H new ATOM 0 HB3 ASP B 664 6.751 10.645 11.705 1.00 0.50 H new ATOM 2021 N GLN B 665 8.699 10.464 9.614 1.00 0.33 N ATOM 2022 CA GLN B 665 10.126 10.135 9.618 1.00 0.34 C ATOM 2023 C GLN B 665 10.663 9.809 8.229 1.00 0.32 C ATOM 2024 O GLN B 665 11.863 9.597 8.060 1.00 0.46 O ATOM 2025 CB GLN B 665 10.391 8.959 10.561 1.00 0.40 C ATOM 2026 CG GLN B 665 10.059 9.264 12.012 1.00 0.53 C ATOM 2027 CD GLN B 665 10.288 8.082 12.935 1.00 1.29 C ATOM 2028 OE1 GLN B 665 11.161 7.246 12.701 1.00 1.58 O ATOM 2029 NE2 GLN B 665 9.497 8.008 13.993 1.00 2.26 N ATOM 0 H GLN B 665 8.077 9.656 9.588 1.00 0.33 H new ATOM 0 HA GLN B 665 10.653 11.023 9.967 1.00 0.34 H new ATOM 0 HB2 GLN B 665 9.804 8.101 10.234 1.00 0.40 H new ATOM 0 HB3 GLN B 665 11.440 8.673 10.488 1.00 0.40 H new ATOM 0 HG2 GLN B 665 10.667 10.104 12.349 1.00 0.53 H new ATOM 0 HG3 GLN B 665 9.017 9.576 12.082 1.00 0.53 H new ATOM 0 HE21 GLN B 665 8.786 8.723 14.149 1.00 2.26 H new ATOM 0 HE22 GLN B 665 9.598 7.236 14.652 1.00 2.26 H new ATOM 2038 N VAL B 666 9.796 9.763 7.238 1.00 0.27 N ATOM 2039 CA VAL B 666 10.232 9.418 5.895 1.00 0.25 C ATOM 2040 C VAL B 666 10.097 10.605 4.948 1.00 0.24 C ATOM 2041 O VAL B 666 9.159 11.391 5.050 1.00 0.27 O ATOM 2042 CB VAL B 666 9.442 8.212 5.320 1.00 0.27 C ATOM 2043 CG1 VAL B 666 9.904 7.864 3.911 1.00 0.33 C ATOM 2044 CG2 VAL B 666 9.576 6.999 6.225 1.00 0.31 C ATOM 0 H VAL B 666 8.799 9.957 7.331 1.00 0.27 H new ATOM 0 HA VAL B 666 11.283 9.138 5.974 1.00 0.25 H new ATOM 0 HB VAL B 666 8.393 8.503 5.272 1.00 0.27 H new ATOM 0 HG11 VAL B 666 9.330 7.015 3.539 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.750 8.721 3.256 1.00 0.33 H new ATOM 0 HG13 VAL B 666 10.963 7.606 3.929 1.00 0.33 H new ATOM 0 HG21 VAL B 666 9.014 6.166 5.802 1.00 0.31 H new ATOM 0 HG22 VAL B 666 10.627 6.722 6.309 1.00 0.31 H new ATOM 0 HG23 VAL B 666 9.183 7.237 7.213 1.00 0.31 H new ATOM 2054 N GLU B 667 11.058 10.729 4.049 1.00 0.27 N ATOM 2055 CA GLU B 667 10.987 11.680 2.953 1.00 0.34 C ATOM 2056 C GLU B 667 11.364 10.968 1.669 1.00 0.32 C ATOM 2057 O GLU B 667 12.502 10.527 1.512 1.00 0.33 O ATOM 2058 CB GLU B 667 11.917 12.876 3.171 1.00 0.44 C ATOM 2059 CG GLU B 667 11.364 13.931 4.113 1.00 0.60 C ATOM 2060 CD GLU B 667 12.170 15.216 4.075 1.00 1.04 C ATOM 2061 OE1 GLU B 667 11.885 16.075 3.210 1.00 1.26 O ATOM 2062 OE2 GLU B 667 13.098 15.370 4.895 1.00 1.72 O ATOM 0 H GLU B 667 11.912 10.171 4.059 1.00 0.27 H new ATOM 0 HA GLU B 667 9.969 12.066 2.897 1.00 0.34 H new ATOM 0 HB2 GLU B 667 12.867 12.516 3.565 1.00 0.44 H new ATOM 0 HB3 GLU B 667 12.126 13.340 2.207 1.00 0.44 H new ATOM 0 HG2 GLU B 667 10.329 14.146 3.847 1.00 0.60 H new ATOM 0 HG3 GLU B 667 11.357 13.539 5.130 1.00 0.60 H new ATOM 2069 N ILE B 668 10.410 10.818 0.764 1.00 0.34 N ATOM 2070 CA ILE B 668 10.666 10.137 -0.489 1.00 0.35 C ATOM 2071 C ILE B 668 11.540 11.022 -1.368 1.00 0.30 C ATOM 2072 O ILE B 668 11.212 12.184 -1.598 1.00 0.30 O ATOM 2073 CB ILE B 668 9.347 9.798 -1.211 1.00 0.45 C ATOM 2074 CG1 ILE B 668 8.355 9.156 -0.231 1.00 0.47 C ATOM 2075 CG2 ILE B 668 9.603 8.872 -2.393 1.00 0.51 C ATOM 2076 CD1 ILE B 668 8.843 7.854 0.373 1.00 0.46 C ATOM 0 H ILE B 668 9.455 11.159 0.876 1.00 0.34 H new ATOM 0 HA ILE B 668 11.183 9.199 -0.285 1.00 0.35 H new ATOM 0 HB ILE B 668 8.914 10.723 -1.591 1.00 0.45 H new ATOM 0 HG12 ILE B 668 8.145 9.862 0.573 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.414 8.974 -0.749 1.00 0.47 H new ATOM 0 HG21 ILE B 668 8.659 8.645 -2.889 1.00 0.51 H new ATOM 0 HG22 ILE B 668 10.275 9.360 -3.099 1.00 0.51 H new ATOM 0 HG23 ILE B 668 10.058 7.947 -2.039 1.00 0.51 H new ATOM 0 HD11 ILE B 668 8.087 7.463 1.054 1.00 0.46 H new ATOM 0 HD12 ILE B 668 9.025 7.130 -0.421 1.00 0.46 H new ATOM 0 HD13 ILE B 668 9.768 8.031 0.921 1.00 0.46 H new ATOM 2088 N PRO B 669 12.671 10.483 -1.855 1.00 0.37 N ATOM 2089 CA PRO B 669 13.691 11.267 -2.558 1.00 0.43 C ATOM 2090 C PRO B 669 13.130 11.993 -3.778 1.00 0.52 C ATOM 2091 O PRO B 669 12.887 11.396 -4.828 1.00 0.71 O ATOM 2092 CB PRO B 669 14.738 10.228 -2.968 1.00 0.46 C ATOM 2093 CG PRO B 669 14.039 8.917 -2.890 1.00 0.79 C ATOM 2094 CD PRO B 669 13.033 9.061 -1.784 1.00 0.54 C ATOM 0 HA PRO B 669 14.098 12.058 -1.928 1.00 0.43 H new ATOM 0 HB2 PRO B 669 15.107 10.418 -3.976 1.00 0.46 H new ATOM 0 HB3 PRO B 669 15.601 10.254 -2.302 1.00 0.46 H new ATOM 0 HG2 PRO B 669 13.551 8.676 -3.835 1.00 0.79 H new ATOM 0 HG3 PRO B 669 14.741 8.110 -2.679 1.00 0.79 H new ATOM 0 HD2 PRO B 669 12.168 8.416 -1.938 1.00 0.54 H new ATOM 0 HD3 PRO B 669 13.458 8.800 -0.815 1.00 0.54 H new