USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 312 ASN : amide:sc=-0.00915 K(o=-0.05,f=-0.71) USER MOD Set 1.2: B 316 ASN : amide:sc= -0.0406 K(o=-0.05,f=-0.66) USER MOD Set 2.1: B 305 ASN : amide:sc=-0.00616 X(o=-0.013,f=-0.041) USER MOD Set 2.2: B 309 ASN : amide:sc=-0.00638 X(o=-0.013,f=-0.041) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 137:sc= -1.05 (180deg=-2.86!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 306 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.68) USER MOD Single : B 310 TYR OH : rot 42:sc= 0.0309 USER MOD Single : B 313 LYS NZ :NH3+ 167:sc= -0.0116 (180deg=-0.156) USER MOD Single : B 315 LYS NZ :NH3+ 154:sc= -0.182 (180deg=-1.46!) USER MOD Single : B 319 GLN :FLIP amide:sc= -0.123 F(o=-0.73,f=-0.12) USER MOD Single : B 321 GLN :FLIP amide:sc= -0.252 F(o=-1.8,f=-0.25) USER MOD Single : B 325 TYR OH : rot 180:sc= -2.76 USER MOD Single : B 326 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0489) USER MOD Single : B 333 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-1.3) USER MOD Single : B 334 THR OG1 : rot 73:sc= 0.224 USER MOD Single : B 335 TYR OH : rot 167:sc= 0.713 USER MOD Single : B 336 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : B 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 354 THR OG1 : rot 180:sc= -0.0652 USER MOD Single : B 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN :FLIP amide:sc= -1.77 F(o=-2.3,f=-1.8) USER MOD Single : B 367 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0551) USER MOD Single : B 368 ASN : amide:sc= 0.353 K(o=0.35,f=-3.2!) USER MOD Single : B 369 GLN : amide:sc= -5.18! C(o=-5.2!,f=-7.3!) USER MOD Single : B 374 SER OG : rot 62:sc= 1.04 USER MOD Single : B 378 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 1.004 4.764 -1.639 1.00 0.00 N ATOM 59 CA ILE A 9 0.280 3.498 -1.489 1.00 0.00 C ATOM 60 C ILE A 9 -0.543 3.143 -2.703 1.00 0.00 C ATOM 61 O ILE A 9 -0.532 1.999 -3.149 1.00 0.00 O ATOM 62 CB ILE A 9 -0.708 3.514 -0.305 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.660 4.708 -0.380 1.00 0.00 C ATOM 64 CG2 ILE A 9 0.019 3.511 1.004 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.606 4.793 0.794 1.00 0.00 C ATOM 0 HA ILE A 9 1.073 2.767 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.304 2.604 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.076 5.627 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.240 4.644 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.703 3.523 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.635 2.614 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.655 4.394 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.253 5.662 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.215 3.890 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.033 4.888 1.717 1.00 0.00 H new ATOM 77 N GLN A 10 -1.303 4.111 -3.200 1.00 0.00 N ATOM 78 CA GLN A 10 -2.180 3.865 -4.319 1.00 0.00 C ATOM 79 C GLN A 10 -1.416 3.267 -5.500 1.00 0.00 C ATOM 80 O GLN A 10 -1.911 2.367 -6.175 1.00 0.00 O ATOM 81 CB GLN A 10 -2.911 5.142 -4.740 1.00 0.00 C ATOM 82 CG GLN A 10 -3.948 4.917 -5.830 1.00 0.00 C ATOM 83 CD GLN A 10 -4.713 6.179 -6.183 1.00 0.00 C ATOM 84 OE1 GLN A 10 -5.367 6.779 -5.330 1.00 0.00 O ATOM 85 NE2 GLN A 10 -4.640 6.588 -7.446 1.00 0.00 N ATOM 0 H GLN A 10 -1.324 5.066 -2.843 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.926 3.139 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.401 5.575 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.180 5.871 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.453 4.536 -6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.651 4.151 -5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.086 6.061 -8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.138 7.429 -7.739 1.00 0.00 H new ATOM 94 N MET A 11 -0.207 3.768 -5.735 1.00 0.00 N ATOM 95 CA MET A 11 0.634 3.285 -6.825 1.00 0.00 C ATOM 96 C MET A 11 0.921 1.789 -6.679 1.00 0.00 C ATOM 97 O MET A 11 0.851 1.031 -7.648 1.00 0.00 O ATOM 98 CB MET A 11 1.956 4.056 -6.840 1.00 0.00 C ATOM 99 CG MET A 11 2.681 3.994 -8.178 1.00 0.00 C ATOM 100 SD MET A 11 4.299 4.796 -8.149 1.00 0.00 S ATOM 101 CE MET A 11 5.240 3.660 -7.133 1.00 0.00 C ATOM 0 H MET A 11 0.214 4.513 -5.181 1.00 0.00 H new ATOM 0 HA MET A 11 0.100 3.446 -7.762 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.762 5.099 -6.589 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.609 3.657 -6.063 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.805 2.951 -8.469 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.062 4.466 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.226 3.509 -7.573 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.350 4.074 -6.131 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.718 2.705 -7.076 1.00 0.00 H new ATOM 111 N LEU A 12 1.268 1.385 -5.457 1.00 0.00 N ATOM 112 CA LEU A 12 1.602 0.018 -5.138 1.00 0.00 C ATOM 113 C LEU A 12 0.364 -0.863 -4.928 1.00 0.00 C ATOM 114 O LEU A 12 0.346 -2.016 -5.359 1.00 0.00 O ATOM 115 CB LEU A 12 2.495 0.107 -3.911 1.00 0.00 C ATOM 116 CG LEU A 12 2.542 -1.061 -2.950 1.00 0.00 C ATOM 117 CD1 LEU A 12 1.189 -1.326 -2.313 1.00 0.00 C ATOM 118 CD2 LEU A 12 3.094 -2.300 -3.625 1.00 0.00 C ATOM 0 H LEU A 12 1.322 2.016 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 12 2.117 -0.474 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.512 0.289 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.189 0.987 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 12 3.223 -0.792 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.268 -2.172 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.868 -0.443 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.459 -1.553 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.117 -3.124 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.458 -2.568 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.105 -2.101 -3.981 1.00 0.00 H new ATOM 130 N LEU A 13 -0.666 -0.328 -4.272 1.00 0.00 N ATOM 131 CA LEU A 13 -1.892 -1.088 -4.032 1.00 0.00 C ATOM 132 C LEU A 13 -2.641 -1.335 -5.341 1.00 0.00 C ATOM 133 O LEU A 13 -3.197 -2.416 -5.543 1.00 0.00 O ATOM 134 CB LEU A 13 -2.758 -0.383 -2.989 1.00 0.00 C ATOM 135 CG LEU A 13 -3.542 0.818 -3.472 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.673 0.342 -4.353 1.00 0.00 C ATOM 137 CD2 LEU A 13 -4.055 1.617 -2.283 1.00 0.00 C ATOM 0 H LEU A 13 -0.676 0.622 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.631 -2.066 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.461 -1.109 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.115 -0.065 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.900 1.477 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.245 1.200 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.266 -0.200 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.326 -0.318 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.618 2.479 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.703 0.987 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.212 1.958 -1.682 1.00 0.00 H new ATOM 149 N GLU A 14 -2.613 -0.354 -6.250 1.00 0.00 N ATOM 150 CA GLU A 14 -3.253 -0.517 -7.553 1.00 0.00 C ATOM 151 C GLU A 14 -2.558 -1.644 -8.319 1.00 0.00 C ATOM 152 O GLU A 14 -3.180 -2.333 -9.130 1.00 0.00 O ATOM 153 CB GLU A 14 -3.206 0.784 -8.363 1.00 0.00 C ATOM 154 CG GLU A 14 -4.173 1.851 -7.867 1.00 0.00 C ATOM 155 CD GLU A 14 -5.626 1.426 -7.981 1.00 0.00 C ATOM 156 OE1 GLU A 14 -6.084 1.164 -9.115 1.00 0.00 O ATOM 157 OE2 GLU A 14 -6.307 1.355 -6.937 1.00 0.00 O ATOM 0 H GLU A 14 -2.160 0.548 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.302 -0.771 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.192 1.183 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.430 0.560 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.948 2.084 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.021 2.767 -8.438 1.00 0.00 H new ATOM 164 N ALA A 15 -1.265 -1.839 -8.021 1.00 0.00 N ATOM 165 CA ALA A 15 -0.470 -2.894 -8.637 1.00 0.00 C ATOM 166 C ALA A 15 -1.162 -4.236 -8.495 1.00 0.00 C ATOM 167 O ALA A 15 -1.418 -4.911 -9.487 1.00 0.00 O ATOM 168 CB ALA A 15 0.901 -2.966 -7.987 1.00 0.00 C ATOM 0 H ALA A 15 -0.750 -1.270 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.359 -2.660 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.485 -3.758 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.414 -2.013 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.789 -3.179 -6.924 1.00 0.00 H new ATOM 174 N ALA A 16 -1.457 -4.612 -7.244 1.00 0.00 N ATOM 175 CA ALA A 16 -2.115 -5.880 -6.948 1.00 0.00 C ATOM 176 C ALA A 16 -3.254 -6.165 -7.918 1.00 0.00 C ATOM 177 O ALA A 16 -3.289 -7.223 -8.539 1.00 0.00 O ATOM 178 CB ALA A 16 -2.647 -5.900 -5.531 1.00 0.00 C ATOM 0 H ALA A 16 -1.247 -4.049 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.360 -6.658 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.132 -6.857 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.823 -5.763 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.370 -5.094 -5.402 1.00 0.00 H new ATOM 184 N ASP A 17 -4.182 -5.209 -8.046 1.00 0.00 N ATOM 185 CA ASP A 17 -5.324 -5.356 -8.952 1.00 0.00 C ATOM 186 C ASP A 17 -4.863 -5.856 -10.319 1.00 0.00 C ATOM 187 O ASP A 17 -5.489 -6.732 -10.917 1.00 0.00 O ATOM 188 CB ASP A 17 -6.068 -4.023 -9.112 1.00 0.00 C ATOM 189 CG ASP A 17 -6.621 -3.491 -7.799 1.00 0.00 C ATOM 190 OD1 ASP A 17 -5.815 -3.158 -6.903 1.00 0.00 O ATOM 191 OD2 ASP A 17 -7.860 -3.409 -7.670 1.00 0.00 O ATOM 0 H ASP A 17 -4.163 -4.327 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.005 -6.088 -8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.391 -3.284 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.887 -4.153 -9.819 1.00 0.00 H new ATOM 196 N TYR A 18 -3.746 -5.300 -10.793 1.00 0.00 N ATOM 197 CA TYR A 18 -3.170 -5.686 -12.074 1.00 0.00 C ATOM 198 C TYR A 18 -2.458 -7.029 -11.961 1.00 0.00 C ATOM 199 O TYR A 18 -2.617 -7.891 -12.826 1.00 0.00 O ATOM 200 CB TYR A 18 -2.209 -4.596 -12.571 1.00 0.00 C ATOM 201 CG TYR A 18 -1.499 -4.917 -13.873 1.00 0.00 C ATOM 202 CD1 TYR A 18 -0.550 -5.931 -13.941 1.00 0.00 C ATOM 203 CD2 TYR A 18 -1.777 -4.202 -15.031 1.00 0.00 C ATOM 204 CE1 TYR A 18 0.101 -6.221 -15.124 1.00 0.00 C ATOM 205 CE2 TYR A 18 -1.130 -4.487 -16.218 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.192 -5.498 -16.261 1.00 0.00 C ATOM 207 OH TYR A 18 0.454 -5.785 -17.442 1.00 0.00 O ATOM 0 H TYR A 18 -3.222 -4.576 -10.301 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.975 -5.794 -12.801 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.768 -3.669 -12.698 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.460 -4.414 -11.801 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.318 -6.501 -13.054 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.511 -3.410 -15.003 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.837 -7.011 -15.158 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.358 -3.921 -17.109 1.00 0.00 H new ATOM 0 HH TYR A 18 0.131 -5.184 -18.146 1.00 0.00 H new ATOM 217 N LEU A 19 -1.686 -7.211 -10.888 1.00 0.00 N ATOM 218 CA LEU A 19 -0.971 -8.465 -10.669 1.00 0.00 C ATOM 219 C LEU A 19 -1.959 -9.627 -10.587 1.00 0.00 C ATOM 220 O LEU A 19 -1.656 -10.742 -11.016 1.00 0.00 O ATOM 221 CB LEU A 19 -0.144 -8.413 -9.380 1.00 0.00 C ATOM 222 CG LEU A 19 0.633 -7.118 -9.131 1.00 0.00 C ATOM 223 CD1 LEU A 19 1.517 -7.259 -7.911 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.459 -6.718 -10.347 1.00 0.00 C ATOM 0 H LEU A 19 -1.542 -6.509 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.296 -8.614 -11.512 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.813 -8.579 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.564 -9.241 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.092 -6.325 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.063 -6.330 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.901 -7.476 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.225 -8.073 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.997 -5.794 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.173 -7.509 -10.578 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.799 -6.564 -11.201 1.00 0.00 H new ATOM 236 N GLU A 20 -3.147 -9.353 -10.032 1.00 0.00 N ATOM 237 CA GLU A 20 -4.187 -10.372 -9.890 1.00 0.00 C ATOM 238 C GLU A 20 -4.643 -10.889 -11.255 1.00 0.00 C ATOM 239 O GLU A 20 -4.620 -12.095 -11.505 1.00 0.00 O ATOM 240 CB GLU A 20 -5.377 -9.812 -9.106 1.00 0.00 C ATOM 241 CG GLU A 20 -5.060 -9.533 -7.644 1.00 0.00 C ATOM 242 CD GLU A 20 -6.167 -8.775 -6.932 1.00 0.00 C ATOM 243 OE1 GLU A 20 -7.294 -9.309 -6.844 1.00 0.00 O ATOM 244 OE2 GLU A 20 -5.906 -7.648 -6.463 1.00 0.00 O ATOM 0 H GLU A 20 -3.409 -8.434 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.765 -11.211 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.713 -8.890 -9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.205 -10.519 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.884 -10.478 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.135 -8.959 -7.581 1.00 0.00 H new ATOM 416 N PHE B 304 7.296 2.785 -10.273 1.00 0.00 N ATOM 417 CA PHE B 304 5.982 2.148 -10.253 1.00 0.00 C ATOM 418 C PHE B 304 6.141 0.628 -10.260 1.00 0.00 C ATOM 419 O PHE B 304 5.586 -0.066 -9.408 1.00 0.00 O ATOM 420 CB PHE B 304 5.152 2.613 -11.458 1.00 0.00 C ATOM 421 CG PHE B 304 3.762 2.037 -11.515 1.00 0.00 C ATOM 422 CD1 PHE B 304 3.558 0.702 -11.830 1.00 0.00 C ATOM 423 CD2 PHE B 304 2.658 2.833 -11.254 1.00 0.00 C ATOM 424 CE1 PHE B 304 2.283 0.174 -11.882 1.00 0.00 C ATOM 425 CE2 PHE B 304 1.380 2.311 -11.305 1.00 0.00 C ATOM 426 CZ PHE B 304 1.192 0.979 -11.619 1.00 0.00 C ATOM 0 HA PHE B 304 5.457 2.438 -9.343 1.00 0.00 H new ATOM 0 HB2 PHE B 304 5.081 3.700 -11.437 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.681 2.346 -12.373 1.00 0.00 H new ATOM 0 HD1 PHE B 304 4.407 0.067 -12.037 1.00 0.00 H new ATOM 0 HD2 PHE B 304 2.799 3.875 -11.008 1.00 0.00 H new ATOM 0 HE1 PHE B 304 2.139 -0.868 -12.128 1.00 0.00 H new ATOM 0 HE2 PHE B 304 0.529 2.943 -11.100 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.194 0.568 -11.659 1.00 0.00 H new ATOM 436 N ASN B 305 6.923 0.125 -11.219 1.00 0.00 N ATOM 437 CA ASN B 305 7.185 -1.309 -11.340 1.00 0.00 C ATOM 438 C ASN B 305 7.811 -1.871 -10.058 1.00 0.00 C ATOM 439 O ASN B 305 7.607 -3.038 -9.725 1.00 0.00 O ATOM 440 CB ASN B 305 8.101 -1.576 -12.540 1.00 0.00 C ATOM 441 CG ASN B 305 8.389 -3.053 -12.747 1.00 0.00 C ATOM 442 OD1 ASN B 305 7.473 -3.859 -12.916 1.00 0.00 O ATOM 443 ND2 ASN B 305 9.668 -3.415 -12.738 1.00 0.00 N ATOM 0 H ASN B 305 7.387 0.695 -11.926 1.00 0.00 H new ATOM 0 HA ASN B 305 6.233 -1.816 -11.497 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.639 -1.171 -13.440 1.00 0.00 H new ATOM 0 HB3 ASN B 305 9.042 -1.044 -12.398 1.00 0.00 H new ATOM 0 HD21 ASN B 305 9.922 -4.393 -12.875 1.00 0.00 H new ATOM 0 HD22 ASN B 305 10.395 -2.714 -12.595 1.00 0.00 H new ATOM 450 N HIS B 306 8.574 -1.032 -9.345 1.00 0.00 N ATOM 451 CA HIS B 306 9.227 -1.447 -8.102 1.00 0.00 C ATOM 452 C HIS B 306 8.199 -1.996 -7.109 1.00 0.00 C ATOM 453 O HIS B 306 8.337 -3.120 -6.624 1.00 0.00 O ATOM 454 CB HIS B 306 9.986 -0.269 -7.480 1.00 0.00 C ATOM 455 CG HIS B 306 10.937 -0.662 -6.391 1.00 0.00 C ATOM 456 ND1 HIS B 306 11.659 0.257 -5.658 1.00 0.00 N ATOM 457 CD2 HIS B 306 11.299 -1.881 -5.923 1.00 0.00 C ATOM 458 CE1 HIS B 306 12.424 -0.380 -4.790 1.00 0.00 C ATOM 459 NE2 HIS B 306 12.224 -1.677 -4.930 1.00 0.00 N ATOM 0 H HIS B 306 8.753 -0.063 -9.610 1.00 0.00 H new ATOM 0 HA HIS B 306 9.938 -2.239 -8.337 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.541 0.247 -8.264 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.265 0.443 -7.079 1.00 0.00 H new ATOM 0 HD2 HIS B 306 10.929 -2.835 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS B 306 13.099 0.082 -4.085 1.00 0.00 H new ATOM 0 HE2 HIS B 306 12.683 -2.409 -4.388 1.00 0.00 H new ATOM 468 N ALA B 307 7.156 -1.204 -6.829 1.00 0.00 N ATOM 469 CA ALA B 307 6.093 -1.626 -5.912 1.00 0.00 C ATOM 470 C ALA B 307 5.371 -2.843 -6.465 1.00 0.00 C ATOM 471 O ALA B 307 5.061 -3.782 -5.737 1.00 0.00 O ATOM 472 CB ALA B 307 5.089 -0.507 -5.696 1.00 0.00 C ATOM 0 H ALA B 307 7.027 -0.272 -7.223 1.00 0.00 H new ATOM 0 HA ALA B 307 6.556 -1.878 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.310 -0.844 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.596 0.359 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.640 -0.232 -6.650 1.00 0.00 H new ATOM 478 N ILE B 308 5.113 -2.805 -7.769 1.00 0.00 N ATOM 479 CA ILE B 308 4.435 -3.882 -8.470 1.00 0.00 C ATOM 480 C ILE B 308 5.080 -5.233 -8.174 1.00 0.00 C ATOM 481 O ILE B 308 4.450 -6.114 -7.587 1.00 0.00 O ATOM 482 CB ILE B 308 4.449 -3.594 -9.985 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.246 -2.737 -10.367 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.471 -4.874 -10.781 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.971 -1.618 -9.393 1.00 0.00 C ATOM 0 H ILE B 308 5.371 -2.021 -8.369 1.00 0.00 H new ATOM 0 HA ILE B 308 3.404 -3.931 -8.119 1.00 0.00 H new ATOM 0 HB ILE B 308 5.359 -3.043 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.412 -2.313 -11.358 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.364 -3.373 -10.436 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.480 -4.640 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.364 -5.445 -10.527 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.584 -5.463 -10.547 1.00 0.00 H new ATOM 0 HD11 ILE B 308 2.103 -1.050 -9.727 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.774 -2.035 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.838 -0.959 -9.342 1.00 0.00 H new ATOM 497 N ASN B 309 6.342 -5.379 -8.567 1.00 0.00 N ATOM 498 CA ASN B 309 7.081 -6.611 -8.327 1.00 0.00 C ATOM 499 C ASN B 309 7.175 -6.906 -6.826 1.00 0.00 C ATOM 500 O ASN B 309 7.229 -8.066 -6.419 1.00 0.00 O ATOM 501 CB ASN B 309 8.454 -6.524 -8.978 1.00 0.00 C ATOM 502 CG ASN B 309 8.453 -7.059 -10.397 1.00 0.00 C ATOM 503 OD1 ASN B 309 8.176 -8.237 -10.628 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.758 -6.197 -11.358 1.00 0.00 N ATOM 0 H ASN B 309 6.874 -4.657 -9.054 1.00 0.00 H new ATOM 0 HA ASN B 309 6.546 -7.445 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.786 -5.486 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN B 309 9.173 -7.085 -8.381 1.00 0.00 H new ATOM 0 HD21 ASN B 309 8.769 -6.501 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN B 309 8.981 -5.230 -11.123 1.00 0.00 H new ATOM 511 N TYR B 310 7.140 -5.850 -6.003 1.00 0.00 N ATOM 512 CA TYR B 310 7.157 -6.011 -4.551 1.00 0.00 C ATOM 513 C TYR B 310 5.873 -6.714 -4.118 1.00 0.00 C ATOM 514 O TYR B 310 5.907 -7.643 -3.311 1.00 0.00 O ATOM 515 CB TYR B 310 7.298 -4.646 -3.860 1.00 0.00 C ATOM 516 CG TYR B 310 6.716 -4.599 -2.463 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.193 -5.429 -1.460 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.680 -3.728 -2.156 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.655 -5.392 -0.191 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.137 -3.682 -0.890 1.00 0.00 C ATOM 521 CZ TYR B 310 5.626 -4.516 0.091 1.00 0.00 C ATOM 522 OH TYR B 310 5.083 -4.474 1.357 1.00 0.00 O ATOM 0 H TYR B 310 7.100 -4.881 -6.320 1.00 0.00 H new ATOM 0 HA TYR B 310 8.014 -6.617 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.355 -4.383 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.809 -3.888 -4.472 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.999 -6.115 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.292 -3.074 -2.923 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.037 -6.046 0.579 1.00 0.00 H new ATOM 0 HE2 TYR B 310 4.333 -2.996 -0.669 1.00 0.00 H new ATOM 0 HH TYR B 310 5.800 -4.533 2.023 1.00 0.00 H new ATOM 532 N VAL B 311 4.745 -6.294 -4.702 1.00 0.00 N ATOM 533 CA VAL B 311 3.462 -6.922 -4.414 1.00 0.00 C ATOM 534 C VAL B 311 3.512 -8.377 -4.872 1.00 0.00 C ATOM 535 O VAL B 311 2.940 -9.255 -4.230 1.00 0.00 O ATOM 536 CB VAL B 311 2.283 -6.218 -5.121 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.973 -6.927 -4.816 1.00 0.00 C ATOM 538 CG2 VAL B 311 2.184 -4.757 -4.729 1.00 0.00 C ATOM 0 H VAL B 311 4.700 -5.526 -5.372 1.00 0.00 H new ATOM 0 HA VAL B 311 3.293 -6.847 -3.340 1.00 0.00 H new ATOM 0 HB VAL B 311 2.474 -6.267 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL B 311 0.155 -6.415 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL B 311 1.028 -7.958 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.795 -6.917 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.343 -4.297 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL B 311 2.034 -4.679 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL B 311 3.105 -4.243 -5.005 1.00 0.00 H new ATOM 548 N ASN B 312 4.223 -8.624 -5.986 1.00 0.00 N ATOM 549 CA ASN B 312 4.378 -9.974 -6.521 1.00 0.00 C ATOM 550 C ASN B 312 4.935 -10.893 -5.439 1.00 0.00 C ATOM 551 O ASN B 312 4.436 -12.000 -5.243 1.00 0.00 O ATOM 552 CB ASN B 312 5.303 -9.972 -7.744 1.00 0.00 C ATOM 553 CG ASN B 312 5.392 -11.332 -8.412 1.00 0.00 C ATOM 554 OD1 ASN B 312 4.405 -11.842 -8.941 1.00 0.00 O ATOM 555 ND2 ASN B 312 6.579 -11.931 -8.385 1.00 0.00 N ATOM 0 H ASN B 312 4.697 -7.902 -6.528 1.00 0.00 H new ATOM 0 HA ASN B 312 3.401 -10.340 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.942 -9.240 -8.466 1.00 0.00 H new ATOM 0 HB3 ASN B 312 6.301 -9.655 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN B 312 6.697 -12.849 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN B 312 7.372 -11.472 -7.936 1.00 0.00 H new ATOM 562 N LYS B 313 5.949 -10.407 -4.711 1.00 0.00 N ATOM 563 CA LYS B 313 6.542 -11.168 -3.612 1.00 0.00 C ATOM 564 C LYS B 313 5.447 -11.621 -2.662 1.00 0.00 C ATOM 565 O LYS B 313 5.335 -12.799 -2.331 1.00 0.00 O ATOM 566 CB LYS B 313 7.550 -10.307 -2.830 1.00 0.00 C ATOM 567 CG LYS B 313 8.849 -10.035 -3.561 1.00 0.00 C ATOM 568 CD LYS B 313 9.786 -9.149 -2.748 1.00 0.00 C ATOM 569 CE LYS B 313 10.351 -9.875 -1.533 1.00 0.00 C ATOM 570 NZ LYS B 313 11.258 -10.996 -1.912 1.00 0.00 N ATOM 0 H LYS B 313 6.373 -9.492 -4.866 1.00 0.00 H new ATOM 0 HA LYS B 313 7.061 -12.029 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS B 313 7.080 -9.354 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.777 -10.803 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS B 313 9.345 -10.980 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.634 -9.556 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS B 313 10.606 -8.812 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS B 313 9.249 -8.259 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS B 313 10.895 -9.166 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS B 313 9.530 -10.263 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.785 -11.315 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 10.695 -11.785 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 11.928 -10.670 -2.638 1.00 0.00 H new ATOM 584 N ILE B 314 4.642 -10.654 -2.236 1.00 0.00 N ATOM 585 CA ILE B 314 3.533 -10.893 -1.328 1.00 0.00 C ATOM 586 C ILE B 314 2.476 -11.795 -1.965 1.00 0.00 C ATOM 587 O ILE B 314 2.170 -12.860 -1.437 1.00 0.00 O ATOM 588 CB ILE B 314 2.922 -9.541 -0.900 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.953 -8.785 -0.059 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.613 -9.724 -0.135 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.584 -7.354 0.232 1.00 0.00 C ATOM 0 H ILE B 314 4.743 -9.678 -2.514 1.00 0.00 H new ATOM 0 HA ILE B 314 3.907 -11.412 -0.446 1.00 0.00 H new ATOM 0 HB ILE B 314 2.677 -8.963 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE B 314 4.092 -9.312 0.885 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.912 -8.803 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.217 -8.748 0.147 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.891 -10.239 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.796 -10.315 0.763 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.367 -6.891 0.832 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.475 -6.809 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.642 -7.325 0.780 1.00 0.00 H new ATOM 603 N LYS B 315 1.940 -11.381 -3.111 1.00 0.00 N ATOM 604 CA LYS B 315 0.932 -12.172 -3.815 1.00 0.00 C ATOM 605 C LYS B 315 1.376 -13.630 -3.944 1.00 0.00 C ATOM 606 O LYS B 315 0.608 -14.548 -3.650 1.00 0.00 O ATOM 607 CB LYS B 315 0.658 -11.577 -5.197 1.00 0.00 C ATOM 608 CG LYS B 315 -0.413 -12.309 -5.971 1.00 0.00 C ATOM 609 CD LYS B 315 -0.902 -11.475 -7.135 1.00 0.00 C ATOM 610 CE LYS B 315 -1.932 -12.224 -7.953 1.00 0.00 C ATOM 611 NZ LYS B 315 -3.164 -12.530 -7.169 1.00 0.00 N ATOM 0 H LYS B 315 2.186 -10.505 -3.571 1.00 0.00 H new ATOM 0 HA LYS B 315 0.011 -12.145 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.362 -10.534 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.582 -11.584 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.019 -13.257 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.248 -12.545 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.335 -10.546 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.059 -11.202 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -2.199 -11.631 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS B 315 -1.496 -13.154 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 -3.973 -12.625 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -3.031 -13.420 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -3.348 -11.759 -6.496 1.00 0.00 H new ATOM 625 N ASN B 316 2.624 -13.828 -4.366 1.00 0.00 N ATOM 626 CA ASN B 316 3.192 -15.166 -4.518 1.00 0.00 C ATOM 627 C ASN B 316 3.367 -15.837 -3.158 1.00 0.00 C ATOM 628 O ASN B 316 3.015 -17.005 -2.981 1.00 0.00 O ATOM 629 CB ASN B 316 4.542 -15.081 -5.244 1.00 0.00 C ATOM 630 CG ASN B 316 4.386 -14.830 -6.735 1.00 0.00 C ATOM 631 OD1 ASN B 316 3.756 -13.856 -7.149 1.00 0.00 O ATOM 632 ND2 ASN B 316 4.962 -15.707 -7.549 1.00 0.00 N ATOM 0 H ASN B 316 3.265 -13.073 -4.610 1.00 0.00 H new ATOM 0 HA ASN B 316 2.505 -15.769 -5.111 1.00 0.00 H new ATOM 0 HB2 ASN B 316 5.138 -14.281 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN B 316 5.092 -16.009 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN B 316 4.892 -15.587 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN B 316 5.475 -16.500 -7.164 1.00 0.00 H new ATOM 639 N ARG B 317 3.906 -15.084 -2.200 1.00 0.00 N ATOM 640 CA ARG B 317 4.129 -15.584 -0.848 1.00 0.00 C ATOM 641 C ARG B 317 2.828 -16.096 -0.225 1.00 0.00 C ATOM 642 O ARG B 317 2.757 -17.245 0.212 1.00 0.00 O ATOM 643 CB ARG B 317 4.741 -14.482 0.026 1.00 0.00 C ATOM 644 CG ARG B 317 4.963 -14.871 1.483 1.00 0.00 C ATOM 645 CD ARG B 317 6.029 -15.950 1.641 1.00 0.00 C ATOM 646 NE ARG B 317 5.574 -17.269 1.193 1.00 0.00 N ATOM 647 CZ ARG B 317 6.345 -18.360 1.177 1.00 0.00 C ATOM 648 NH1 ARG B 317 7.609 -18.301 1.584 1.00 0.00 N ATOM 649 NH2 ARG B 317 5.844 -19.517 0.753 1.00 0.00 N ATOM 0 H ARG B 317 4.198 -14.117 -2.340 1.00 0.00 H new ATOM 0 HA ARG B 317 4.825 -16.421 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG B 317 5.697 -14.184 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.090 -13.608 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG B 317 5.256 -13.988 2.051 1.00 0.00 H new ATOM 0 HG3 ARG B 317 4.024 -15.226 1.908 1.00 0.00 H new ATOM 0 HD2 ARG B 317 6.915 -15.665 1.074 1.00 0.00 H new ATOM 0 HD3 ARG B 317 6.326 -16.010 2.688 1.00 0.00 H new ATOM 0 HE ARG B 317 4.609 -17.360 0.874 1.00 0.00 H new ATOM 0 HH11 ARG B 317 7.998 -17.417 1.912 1.00 0.00 H new ATOM 0 HH12 ARG B 317 8.190 -19.139 1.568 1.00 0.00 H new ATOM 0 HH21 ARG B 317 4.874 -19.569 0.441 1.00 0.00 H new ATOM 0 HH22 ARG B 317 6.430 -20.352 0.739 1.00 0.00 H new ATOM 663 N PHE B 318 1.803 -15.239 -0.182 1.00 0.00 N ATOM 664 CA PHE B 318 0.519 -15.622 0.400 1.00 0.00 C ATOM 665 C PHE B 318 -0.506 -15.980 -0.682 1.00 0.00 C ATOM 666 O PHE B 318 -1.664 -15.561 -0.606 1.00 0.00 O ATOM 667 CB PHE B 318 -0.046 -14.514 1.305 1.00 0.00 C ATOM 668 CG PHE B 318 0.991 -13.662 1.969 1.00 0.00 C ATOM 669 CD1 PHE B 318 1.596 -12.636 1.279 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.368 -13.901 3.275 1.00 0.00 C ATOM 671 CE1 PHE B 318 2.561 -11.855 1.870 1.00 0.00 C ATOM 672 CE2 PHE B 318 2.334 -13.120 3.881 1.00 0.00 C ATOM 673 CZ PHE B 318 2.931 -12.094 3.172 1.00 0.00 C ATOM 0 H PHE B 318 1.839 -14.285 -0.540 1.00 0.00 H new ATOM 0 HA PHE B 318 0.705 -16.507 1.009 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.697 -13.873 0.710 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.667 -14.973 2.074 1.00 0.00 H new ATOM 0 HD1 PHE B 318 1.308 -12.441 0.257 1.00 0.00 H new ATOM 0 HD2 PHE B 318 0.904 -14.705 3.828 1.00 0.00 H new ATOM 0 HE1 PHE B 318 3.027 -11.056 1.313 1.00 0.00 H new ATOM 0 HE2 PHE B 318 2.621 -13.310 4.904 1.00 0.00 H new ATOM 0 HZ PHE B 318 3.687 -11.481 3.641 1.00 0.00 H new ATOM 683 N GLN B 319 -0.087 -16.765 -1.680 1.00 0.00 N ATOM 684 CA GLN B 319 -0.987 -17.190 -2.759 1.00 0.00 C ATOM 685 C GLN B 319 -2.309 -17.740 -2.208 1.00 0.00 C ATOM 686 O GLN B 319 -3.364 -17.549 -2.815 1.00 0.00 O ATOM 687 CB GLN B 319 -0.311 -18.243 -3.644 1.00 0.00 C ATOM 688 CG GLN B 319 0.494 -17.659 -4.797 1.00 0.00 C ATOM 689 CD GLN B 319 -0.385 -17.026 -5.863 1.00 0.00 C ATOM 690 OE1 GLN B 319 -0.145 -15.752 -6.158 1.00 0.00 O flip ATOM 691 NE2 GLN B 319 -1.266 -17.677 -6.423 1.00 0.00 N flip ATOM 0 H GLN B 319 0.866 -17.118 -1.764 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.211 -16.309 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN B 319 0.348 -18.853 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -1.075 -18.908 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN B 319 1.185 -16.910 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN B 319 1.097 -18.446 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN B 319 -1.419 -18.653 -6.168 1.00 0.00 H new ATOM 0 HE22 GLN B 319 -1.843 -17.241 -7.142 1.00 0.00 H new ATOM 700 N GLY B 320 -2.242 -18.421 -1.056 1.00 0.00 N ATOM 701 CA GLY B 320 -3.439 -18.985 -0.447 1.00 0.00 C ATOM 702 C GLY B 320 -4.003 -18.138 0.689 1.00 0.00 C ATOM 703 O GLY B 320 -4.859 -18.608 1.441 1.00 0.00 O ATOM 0 H GLY B 320 -1.380 -18.590 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -4.204 -19.106 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -3.209 -19.980 -0.067 1.00 0.00 H new ATOM 707 N GLN B 321 -3.533 -16.892 0.813 1.00 0.00 N ATOM 708 CA GLN B 321 -4.008 -15.986 1.857 1.00 0.00 C ATOM 709 C GLN B 321 -4.691 -14.769 1.248 1.00 0.00 C ATOM 710 O GLN B 321 -4.061 -13.726 1.054 1.00 0.00 O ATOM 711 CB GLN B 321 -2.852 -15.512 2.742 1.00 0.00 C ATOM 712 CG GLN B 321 -2.139 -16.616 3.502 1.00 0.00 C ATOM 713 CD GLN B 321 -3.036 -17.394 4.463 1.00 0.00 C ATOM 714 OE1 GLN B 321 -4.211 -16.853 4.791 1.00 0.00 O flip ATOM 715 NE2 GLN B 321 -2.660 -18.468 4.930 1.00 0.00 N flip ATOM 0 H GLN B 321 -2.823 -16.490 0.201 1.00 0.00 H new ATOM 0 HA GLN B 321 -4.723 -16.540 2.465 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -2.125 -14.991 2.118 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -3.236 -14.786 3.459 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -1.703 -17.312 2.785 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -1.314 -16.180 4.065 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -1.756 -18.854 4.658 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -3.252 -18.973 5.589 1.00 0.00 H new ATOM 724 N PRO B 322 -5.996 -14.870 0.955 1.00 0.00 N ATOM 725 CA PRO B 322 -6.752 -13.758 0.390 1.00 0.00 C ATOM 726 C PRO B 322 -6.986 -12.665 1.429 1.00 0.00 C ATOM 727 O PRO B 322 -7.131 -11.494 1.085 1.00 0.00 O ATOM 728 CB PRO B 322 -8.089 -14.383 -0.037 1.00 0.00 C ATOM 729 CG PRO B 322 -7.958 -15.855 0.191 1.00 0.00 C ATOM 730 CD PRO B 322 -6.837 -16.051 1.170 1.00 0.00 C ATOM 0 HA PRO B 322 -6.223 -13.284 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.914 -13.972 0.545 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -8.301 -14.169 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.888 -16.269 0.582 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -7.747 -16.373 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -7.202 -16.104 2.196 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -6.291 -16.975 0.978 1.00 0.00 H new ATOM 738 N ASP B 323 -7.005 -13.057 2.706 1.00 0.00 N ATOM 739 CA ASP B 323 -7.208 -12.112 3.796 1.00 0.00 C ATOM 740 C ASP B 323 -6.018 -11.169 3.925 1.00 0.00 C ATOM 741 O ASP B 323 -6.187 -9.999 4.250 1.00 0.00 O ATOM 742 CB ASP B 323 -7.435 -12.855 5.118 1.00 0.00 C ATOM 743 CG ASP B 323 -8.634 -13.785 5.063 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.764 -13.291 4.863 1.00 0.00 O ATOM 745 OD2 ASP B 323 -8.441 -15.009 5.219 1.00 0.00 O ATOM 0 H ASP B 323 -6.882 -14.024 3.006 1.00 0.00 H new ATOM 0 HA ASP B 323 -8.095 -11.521 3.568 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.543 -13.431 5.365 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.578 -12.130 5.919 1.00 0.00 H new ATOM 750 N ILE B 324 -4.818 -11.688 3.663 1.00 0.00 N ATOM 751 CA ILE B 324 -3.598 -10.889 3.749 1.00 0.00 C ATOM 752 C ILE B 324 -3.494 -9.914 2.590 1.00 0.00 C ATOM 753 O ILE B 324 -3.287 -8.715 2.782 1.00 0.00 O ATOM 754 CB ILE B 324 -2.346 -11.769 3.717 1.00 0.00 C ATOM 755 CG1 ILE B 324 -2.412 -12.817 4.827 1.00 0.00 C ATOM 756 CG2 ILE B 324 -1.098 -10.897 3.826 1.00 0.00 C ATOM 757 CD1 ILE B 324 -1.201 -13.702 4.866 1.00 0.00 C ATOM 0 H ILE B 324 -4.666 -12.659 3.389 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.656 -10.351 4.695 1.00 0.00 H new ATOM 0 HB ILE B 324 -2.296 -12.303 2.768 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -2.520 -12.315 5.788 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -3.301 -13.432 4.687 1.00 0.00 H new ATOM 0 HG21 ILE B 324 -0.210 -11.528 3.803 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -1.068 -10.198 2.990 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -1.123 -10.341 4.763 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -1.305 -14.426 5.674 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -1.105 -14.229 3.917 1.00 0.00 H new ATOM 0 HD13 ILE B 324 -0.312 -13.095 5.035 1.00 0.00 H new ATOM 769 N TYR B 325 -3.610 -10.458 1.385 1.00 0.00 N ATOM 770 CA TYR B 325 -3.500 -9.667 0.166 1.00 0.00 C ATOM 771 C TYR B 325 -4.591 -8.598 0.115 1.00 0.00 C ATOM 772 O TYR B 325 -4.297 -7.418 -0.085 1.00 0.00 O ATOM 773 CB TYR B 325 -3.598 -10.589 -1.054 1.00 0.00 C ATOM 774 CG TYR B 325 -2.938 -10.036 -2.296 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.593 -9.680 -2.293 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.657 -9.883 -3.475 1.00 0.00 C ATOM 777 CE1 TYR B 325 -0.987 -9.185 -3.439 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.062 -9.389 -4.615 1.00 0.00 C ATOM 779 CZ TYR B 325 -1.729 -9.043 -4.595 1.00 0.00 C ATOM 780 OH TYR B 325 -1.129 -8.554 -5.735 1.00 0.00 O ATOM 0 H TYR B 325 -3.781 -11.451 1.226 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.534 -9.163 0.158 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.142 -11.548 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.649 -10.781 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.014 -9.790 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.702 -10.156 -3.498 1.00 0.00 H new ATOM 0 HE1 TYR B 325 0.058 -8.913 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.639 -9.273 -5.521 1.00 0.00 H new ATOM 0 HH TYR B 325 -1.787 -8.516 -6.460 1.00 0.00 H new ATOM 790 N LYS B 326 -5.846 -9.009 0.312 1.00 0.00 N ATOM 791 CA LYS B 326 -6.968 -8.071 0.307 1.00 0.00 C ATOM 792 C LYS B 326 -6.832 -7.049 1.439 1.00 0.00 C ATOM 793 O LYS B 326 -7.054 -5.856 1.233 1.00 0.00 O ATOM 794 CB LYS B 326 -8.301 -8.818 0.425 1.00 0.00 C ATOM 795 CG LYS B 326 -8.559 -9.794 -0.716 1.00 0.00 C ATOM 796 CD LYS B 326 -8.696 -9.081 -2.054 1.00 0.00 C ATOM 797 CE LYS B 326 -8.789 -10.068 -3.209 1.00 0.00 C ATOM 798 NZ LYS B 326 -9.971 -10.970 -3.089 1.00 0.00 N ATOM 0 H LYS B 326 -6.109 -9.981 0.476 1.00 0.00 H new ATOM 0 HA LYS B 326 -6.952 -7.536 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.320 -9.363 1.369 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.113 -8.091 0.460 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -7.742 -10.513 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.468 -10.359 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -9.585 -8.450 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -7.840 -8.423 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -8.847 -9.519 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -7.879 -10.668 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -10.040 -11.566 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -9.863 -11.574 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -10.835 -10.399 -2.995 1.00 0.00 H new ATOM 812 N ALA B 327 -6.465 -7.528 2.636 1.00 0.00 N ATOM 813 CA ALA B 327 -6.298 -6.659 3.806 1.00 0.00 C ATOM 814 C ALA B 327 -5.302 -5.539 3.535 1.00 0.00 C ATOM 815 O ALA B 327 -5.614 -4.369 3.736 1.00 0.00 O ATOM 816 CB ALA B 327 -5.845 -7.464 5.017 1.00 0.00 C ATOM 0 H ALA B 327 -6.278 -8.514 2.818 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.270 -6.212 4.015 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.728 -6.799 5.873 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.591 -8.225 5.248 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.892 -7.945 4.798 1.00 0.00 H new ATOM 822 N PHE B 328 -4.104 -5.909 3.081 1.00 0.00 N ATOM 823 CA PHE B 328 -3.050 -4.940 2.786 1.00 0.00 C ATOM 824 C PHE B 328 -3.579 -3.812 1.902 1.00 0.00 C ATOM 825 O PHE B 328 -3.399 -2.636 2.215 1.00 0.00 O ATOM 826 CB PHE B 328 -1.871 -5.655 2.108 1.00 0.00 C ATOM 827 CG PHE B 328 -0.754 -4.745 1.686 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.912 -3.882 0.614 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.456 -4.754 2.358 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.112 -3.047 0.225 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.486 -3.920 1.973 1.00 0.00 C ATOM 832 CZ PHE B 328 1.313 -3.066 0.903 1.00 0.00 C ATOM 0 H PHE B 328 -3.839 -6.879 2.909 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.707 -4.495 3.720 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.474 -6.404 2.793 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.240 -6.188 1.232 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.849 -3.864 0.077 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.596 -5.422 3.195 1.00 0.00 H new ATOM 0 HE1 PHE B 328 -0.025 -2.377 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.424 -3.936 2.507 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.117 -2.413 0.597 1.00 0.00 H new ATOM 842 N LEU B 329 -4.243 -4.177 0.809 1.00 0.00 N ATOM 843 CA LEU B 329 -4.815 -3.191 -0.108 1.00 0.00 C ATOM 844 C LEU B 329 -5.846 -2.313 0.606 1.00 0.00 C ATOM 845 O LEU B 329 -5.769 -1.087 0.545 1.00 0.00 O ATOM 846 CB LEU B 329 -5.443 -3.886 -1.319 1.00 0.00 C ATOM 847 CG LEU B 329 -4.460 -4.695 -2.169 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.179 -5.347 -3.341 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.320 -3.808 -2.660 1.00 0.00 C ATOM 0 H LEU B 329 -4.399 -5.147 0.535 1.00 0.00 H new ATOM 0 HA LEU B 329 -4.009 -2.546 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.234 -4.550 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -5.914 -3.133 -1.950 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.035 -5.483 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.465 -5.918 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -5.955 -6.015 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -5.633 -4.576 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.631 -4.401 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.725 -2.996 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.788 -3.392 -1.804 1.00 0.00 H new ATOM 861 N GLU B 330 -6.799 -2.953 1.295 1.00 0.00 N ATOM 862 CA GLU B 330 -7.838 -2.230 2.039 1.00 0.00 C ATOM 863 C GLU B 330 -7.210 -1.291 3.072 1.00 0.00 C ATOM 864 O GLU B 330 -7.729 -0.205 3.329 1.00 0.00 O ATOM 865 CB GLU B 330 -8.783 -3.213 2.735 1.00 0.00 C ATOM 866 CG GLU B 330 -9.586 -4.076 1.768 1.00 0.00 C ATOM 867 CD GLU B 330 -10.453 -5.115 2.464 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.439 -5.180 3.713 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.149 -5.870 1.754 1.00 0.00 O ATOM 0 H GLU B 330 -6.872 -3.969 1.353 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.410 -1.635 1.327 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.201 -3.861 3.390 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.472 -2.655 3.369 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -10.221 -3.432 1.159 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -8.900 -4.582 1.088 1.00 0.00 H new ATOM 876 N ILE B 331 -6.077 -1.714 3.637 1.00 0.00 N ATOM 877 CA ILE B 331 -5.347 -0.915 4.617 1.00 0.00 C ATOM 878 C ILE B 331 -4.958 0.428 4.005 1.00 0.00 C ATOM 879 O ILE B 331 -5.237 1.490 4.564 1.00 0.00 O ATOM 880 CB ILE B 331 -4.085 -1.665 5.088 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.482 -2.870 5.936 1.00 0.00 C ATOM 882 CG2 ILE B 331 -3.156 -0.749 5.867 1.00 0.00 C ATOM 883 CD1 ILE B 331 -3.407 -3.924 6.014 1.00 0.00 C ATOM 0 H ILE B 331 -5.644 -2.614 3.428 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.992 -0.742 5.479 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.545 -2.011 4.207 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.724 -2.532 6.944 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -5.387 -3.314 5.522 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -2.276 -1.308 6.185 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.848 0.082 5.232 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.677 -0.363 6.743 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.754 -4.752 6.632 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -3.181 -4.288 5.012 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.508 -3.494 6.455 1.00 0.00 H new ATOM 895 N LEU B 332 -4.335 0.356 2.829 1.00 0.00 N ATOM 896 CA LEU B 332 -3.920 1.543 2.082 1.00 0.00 C ATOM 897 C LEU B 332 -5.138 2.364 1.689 1.00 0.00 C ATOM 898 O LEU B 332 -5.181 3.580 1.878 1.00 0.00 O ATOM 899 CB LEU B 332 -3.162 1.122 0.823 1.00 0.00 C ATOM 900 CG LEU B 332 -2.089 0.059 1.046 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.353 -0.236 -0.245 1.00 0.00 C ATOM 902 CD2 LEU B 332 -1.134 0.503 2.134 1.00 0.00 C ATOM 0 H LEU B 332 -4.104 -0.524 2.368 1.00 0.00 H new ATOM 0 HA LEU B 332 -3.269 2.148 2.713 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.879 0.747 0.093 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.694 2.004 0.386 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.569 -0.864 1.371 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.593 -0.996 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.059 -0.599 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.877 0.675 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU B 332 -0.373 -0.263 2.285 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.656 1.437 1.839 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -1.685 0.655 3.062 1.00 0.00 H new ATOM 914 N HIS B 333 -6.125 1.668 1.132 1.00 0.00 N ATOM 915 CA HIS B 333 -7.375 2.295 0.687 1.00 0.00 C ATOM 916 C HIS B 333 -8.012 3.143 1.791 1.00 0.00 C ATOM 917 O HIS B 333 -8.423 4.277 1.541 1.00 0.00 O ATOM 918 CB HIS B 333 -8.373 1.230 0.220 1.00 0.00 C ATOM 919 CG HIS B 333 -8.092 0.688 -1.148 1.00 0.00 C ATOM 920 ND1 HIS B 333 -8.086 1.475 -2.280 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.821 -0.571 -1.565 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.826 0.724 -3.334 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.660 -0.521 -2.929 1.00 0.00 N ATOM 0 H HIS B 333 -6.086 0.661 0.975 1.00 0.00 H new ATOM 0 HA HIS B 333 -7.126 2.953 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.369 0.406 0.934 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.376 1.657 0.231 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.745 -1.450 -0.942 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.760 1.070 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.447 -1.317 -3.530 1.00 0.00 H new ATOM 932 N THR B 334 -8.082 2.603 3.013 1.00 0.00 N ATOM 933 CA THR B 334 -8.661 3.336 4.141 1.00 0.00 C ATOM 934 C THR B 334 -7.875 4.618 4.399 1.00 0.00 C ATOM 935 O THR B 334 -8.457 5.673 4.652 1.00 0.00 O ATOM 936 CB THR B 334 -8.672 2.469 5.409 1.00 0.00 C ATOM 937 OG1 THR B 334 -9.549 1.367 5.255 1.00 0.00 O ATOM 938 CG2 THR B 334 -9.090 3.223 6.662 1.00 0.00 C ATOM 0 H THR B 334 -7.747 1.668 3.244 1.00 0.00 H new ATOM 0 HA THR B 334 -9.689 3.592 3.886 1.00 0.00 H new ATOM 0 HB THR B 334 -7.641 2.141 5.537 1.00 0.00 H new ATOM 0 HG1 THR B 334 -9.147 0.711 4.648 1.00 0.00 H new ATOM 0 HG21 THR B 334 -9.074 2.546 7.516 1.00 0.00 H new ATOM 0 HG22 THR B 334 -8.398 4.047 6.839 1.00 0.00 H new ATOM 0 HG23 THR B 334 -10.098 3.617 6.530 1.00 0.00 H new ATOM 946 N TYR B 335 -6.550 4.513 4.321 1.00 0.00 N ATOM 947 CA TYR B 335 -5.665 5.653 4.534 1.00 0.00 C ATOM 948 C TYR B 335 -6.001 6.805 3.586 1.00 0.00 C ATOM 949 O TYR B 335 -6.393 7.878 4.041 1.00 0.00 O ATOM 950 CB TYR B 335 -4.214 5.198 4.372 1.00 0.00 C ATOM 951 CG TYR B 335 -3.192 6.309 4.386 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.824 6.948 3.214 1.00 0.00 C ATOM 953 CD2 TYR B 335 -2.586 6.703 5.568 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.879 7.950 3.214 1.00 0.00 C ATOM 955 CE2 TYR B 335 -1.641 7.710 5.581 1.00 0.00 C ATOM 956 CZ TYR B 335 -1.289 8.330 4.399 1.00 0.00 C ATOM 957 OH TYR B 335 -0.346 9.330 4.403 1.00 0.00 O ATOM 0 H TYR B 335 -6.064 3.642 4.110 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.807 6.031 5.546 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.977 4.497 5.172 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -4.123 4.652 3.433 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -3.286 6.655 2.283 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -2.857 6.215 6.493 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.602 8.435 2.290 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -1.180 8.011 6.510 1.00 0.00 H new ATOM 0 HH TYR B 335 -0.181 9.620 5.324 1.00 0.00 H new ATOM 967 N GLN B 336 -5.864 6.577 2.273 1.00 0.00 N ATOM 968 CA GLN B 336 -6.172 7.614 1.274 1.00 0.00 C ATOM 969 C GLN B 336 -7.553 8.228 1.503 1.00 0.00 C ATOM 970 O GLN B 336 -7.734 9.434 1.336 1.00 0.00 O ATOM 971 CB GLN B 336 -6.111 7.048 -0.149 1.00 0.00 C ATOM 972 CG GLN B 336 -4.706 6.734 -0.637 1.00 0.00 C ATOM 973 CD GLN B 336 -3.808 7.960 -0.683 1.00 0.00 C ATOM 974 OE1 GLN B 336 -3.478 8.543 0.351 1.00 0.00 O ATOM 975 NE2 GLN B 336 -3.413 8.362 -1.887 1.00 0.00 N ATOM 0 H GLN B 336 -5.545 5.692 1.878 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.416 8.390 1.390 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.710 6.138 -0.192 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.569 7.763 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -4.258 5.986 0.017 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.762 6.294 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -3.709 7.850 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -2.814 9.182 -1.980 1.00 0.00 H new ATOM 984 N LYS B 337 -8.521 7.394 1.882 1.00 0.00 N ATOM 985 CA LYS B 337 -9.886 7.855 2.126 1.00 0.00 C ATOM 986 C LYS B 337 -9.936 8.932 3.209 1.00 0.00 C ATOM 987 O LYS B 337 -10.611 9.948 3.047 1.00 0.00 O ATOM 988 CB LYS B 337 -10.773 6.687 2.530 1.00 0.00 C ATOM 989 CG LYS B 337 -11.120 5.769 1.374 1.00 0.00 C ATOM 990 CD LYS B 337 -11.645 4.442 1.869 1.00 0.00 C ATOM 991 CE LYS B 337 -12.912 4.604 2.698 1.00 0.00 C ATOM 992 NZ LYS B 337 -13.375 3.309 3.270 1.00 0.00 N ATOM 0 H LYS B 337 -8.384 6.394 2.027 1.00 0.00 H new ATOM 0 HA LYS B 337 -10.253 8.291 1.197 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.270 6.109 3.305 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.694 7.073 2.967 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.868 6.245 0.740 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.236 5.606 0.757 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -11.849 3.792 1.018 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -10.879 3.950 2.469 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -12.728 5.312 3.506 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -13.700 5.028 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -14.240 3.465 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -13.575 2.641 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.634 2.916 3.885 1.00 0.00 H new ATOM 1006 N GLU B 338 -9.231 8.696 4.316 1.00 0.00 N ATOM 1007 CA GLU B 338 -9.211 9.640 5.433 1.00 0.00 C ATOM 1008 C GLU B 338 -8.385 10.887 5.106 1.00 0.00 C ATOM 1009 O GLU B 338 -8.736 11.985 5.535 1.00 0.00 O ATOM 1010 CB GLU B 338 -8.679 8.959 6.697 1.00 0.00 C ATOM 1011 CG GLU B 338 -9.310 7.599 6.972 1.00 0.00 C ATOM 1012 CD GLU B 338 -10.818 7.596 6.789 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -11.505 8.355 7.505 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -11.308 6.838 5.927 1.00 0.00 O ATOM 0 H GLU B 338 -8.666 7.859 4.463 1.00 0.00 H new ATOM 0 HA GLU B 338 -10.236 9.964 5.611 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.600 8.837 6.607 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -8.856 9.611 7.552 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -8.867 6.858 6.306 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -9.073 7.294 7.991 1.00 0.00 H new ATOM 1220 N LEU B 353 -7.880 6.904 9.844 1.00 0.00 N ATOM 1221 CA LEU B 353 -6.615 6.214 9.610 1.00 0.00 C ATOM 1222 C LEU B 353 -5.503 7.199 9.301 1.00 0.00 C ATOM 1223 O LEU B 353 -5.744 8.334 8.883 1.00 0.00 O ATOM 1224 CB LEU B 353 -6.683 5.244 8.424 1.00 0.00 C ATOM 1225 CG LEU B 353 -6.576 3.762 8.762 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.877 3.213 9.327 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -6.113 2.971 7.542 1.00 0.00 C ATOM 0 HA LEU B 353 -6.415 5.663 10.529 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -7.624 5.409 7.900 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -5.882 5.496 7.729 1.00 0.00 H new ATOM 0 HG LEU B 353 -5.826 3.650 9.545 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.757 2.154 9.554 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -8.134 3.753 10.238 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -8.674 3.339 8.594 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -6.041 1.914 7.799 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.830 3.099 6.731 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -5.136 3.334 7.223 1.00 0.00 H new ATOM 1239 N THR B 354 -4.286 6.720 9.475 1.00 0.00 N ATOM 1240 CA THR B 354 -3.084 7.485 9.197 1.00 0.00 C ATOM 1241 C THR B 354 -1.985 6.513 8.794 1.00 0.00 C ATOM 1242 O THR B 354 -2.225 5.304 8.717 1.00 0.00 O ATOM 1243 CB THR B 354 -2.649 8.289 10.432 1.00 0.00 C ATOM 1244 OG1 THR B 354 -2.450 7.435 11.544 1.00 0.00 O ATOM 1245 CG2 THR B 354 -3.640 9.359 10.847 1.00 0.00 C ATOM 0 H THR B 354 -4.101 5.777 9.818 1.00 0.00 H new ATOM 0 HA THR B 354 -3.280 8.193 8.392 1.00 0.00 H new ATOM 0 HB THR B 354 -1.722 8.779 10.135 1.00 0.00 H new ATOM 0 HG1 THR B 354 -2.172 7.966 12.319 1.00 0.00 H new ATOM 0 HG21 THR B 354 -3.263 9.883 11.725 1.00 0.00 H new ATOM 0 HG22 THR B 354 -3.773 10.068 10.030 1.00 0.00 H new ATOM 0 HG23 THR B 354 -4.598 8.896 11.084 1.00 0.00 H new ATOM 1253 N GLU B 355 -0.780 7.017 8.570 1.00 0.00 N ATOM 1254 CA GLU B 355 0.337 6.146 8.221 1.00 0.00 C ATOM 1255 C GLU B 355 0.482 5.066 9.298 1.00 0.00 C ATOM 1256 O GLU B 355 0.947 3.957 9.029 1.00 0.00 O ATOM 1257 CB GLU B 355 1.645 6.942 8.101 1.00 0.00 C ATOM 1258 CG GLU B 355 1.601 8.076 7.081 1.00 0.00 C ATOM 1259 CD GLU B 355 0.982 9.365 7.611 1.00 0.00 C ATOM 1260 OE1 GLU B 355 0.660 9.433 8.819 1.00 0.00 O ATOM 1261 OE2 GLU B 355 0.829 10.314 6.816 1.00 0.00 O ATOM 0 H GLU B 355 -0.551 8.009 8.622 1.00 0.00 H new ATOM 0 HA GLU B 355 0.135 5.686 7.254 1.00 0.00 H new ATOM 0 HB2 GLU B 355 1.894 7.357 9.077 1.00 0.00 H new ATOM 0 HB3 GLU B 355 2.449 6.258 7.831 1.00 0.00 H new ATOM 0 HG2 GLU B 355 2.616 8.285 6.742 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.036 7.745 6.210 1.00 0.00 H new ATOM 1268 N GLN B 356 0.058 5.416 10.521 1.00 0.00 N ATOM 1269 CA GLN B 356 0.110 4.521 11.670 1.00 0.00 C ATOM 1270 C GLN B 356 -0.767 3.282 11.481 1.00 0.00 C ATOM 1271 O GLN B 356 -0.318 2.173 11.762 1.00 0.00 O ATOM 1272 CB GLN B 356 -0.311 5.267 12.940 1.00 0.00 C ATOM 1273 CG GLN B 356 0.583 6.453 13.268 1.00 0.00 C ATOM 1274 CD GLN B 356 0.125 7.208 14.503 1.00 0.00 C ATOM 1275 OE1 GLN B 356 0.077 6.653 15.600 1.00 0.00 O ATOM 1276 NE2 GLN B 356 -0.215 8.483 14.329 1.00 0.00 N ATOM 0 H GLN B 356 -0.331 6.334 10.735 1.00 0.00 H new ATOM 0 HA GLN B 356 1.141 4.181 11.767 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -1.337 5.616 12.824 1.00 0.00 H new ATOM 0 HB3 GLN B 356 -0.303 4.572 13.780 1.00 0.00 H new ATOM 0 HG2 GLN B 356 1.604 6.102 13.419 1.00 0.00 H new ATOM 0 HG3 GLN B 356 0.603 7.134 12.417 1.00 0.00 H new ATOM 0 HE21 GLN B 356 -0.160 8.903 13.401 1.00 0.00 H new ATOM 0 HE22 GLN B 356 -0.530 9.040 15.123 1.00 0.00 H new ATOM 1285 N GLU B 357 -2.008 3.454 10.993 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.886 2.306 10.781 1.00 0.00 C ATOM 1287 C GLU B 357 -2.390 1.483 9.607 1.00 0.00 C ATOM 1288 O GLU B 357 -2.476 0.254 9.607 1.00 0.00 O ATOM 1289 CB GLU B 357 -4.310 2.745 10.459 1.00 0.00 C ATOM 1290 CG GLU B 357 -5.030 3.538 11.542 1.00 0.00 C ATOM 1291 CD GLU B 357 -5.221 2.772 12.846 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -4.874 1.571 12.902 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.730 3.377 13.811 1.00 0.00 O ATOM 0 H GLU B 357 -2.412 4.357 10.745 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.879 1.723 11.702 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -4.286 3.348 9.552 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.900 1.856 10.235 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -4.467 4.449 11.746 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -6.006 3.844 11.166 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.895 2.186 8.596 1.00 0.00 N ATOM 1301 CA VAL B 358 -1.401 1.555 7.385 1.00 0.00 C ATOM 1302 C VAL B 358 -0.252 0.605 7.693 1.00 0.00 C ATOM 1303 O VAL B 358 -0.355 -0.600 7.463 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.944 2.632 6.386 1.00 0.00 C ATOM 1305 CG1 VAL B 358 -0.488 2.017 5.077 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -2.067 3.628 6.160 1.00 0.00 C ATOM 0 H VAL B 358 -1.826 3.204 8.595 1.00 0.00 H new ATOM 0 HA VAL B 358 -2.211 0.974 6.945 1.00 0.00 H new ATOM 0 HB VAL B 358 -0.086 3.156 6.809 1.00 0.00 H new ATOM 0 HG11 VAL B 358 -0.172 2.806 4.395 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.348 1.343 5.263 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -1.311 1.460 4.631 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.741 4.390 5.452 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.938 3.110 5.759 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -2.330 4.101 7.106 1.00 0.00 H new ATOM 1316 N TYR B 359 0.829 1.150 8.243 1.00 0.00 N ATOM 1317 CA TYR B 359 1.982 0.344 8.615 1.00 0.00 C ATOM 1318 C TYR B 359 1.604 -0.698 9.671 1.00 0.00 C ATOM 1319 O TYR B 359 2.131 -1.807 9.672 1.00 0.00 O ATOM 1320 CB TYR B 359 3.118 1.235 9.126 1.00 0.00 C ATOM 1321 CG TYR B 359 4.413 0.487 9.370 1.00 0.00 C ATOM 1322 CD1 TYR B 359 4.544 -0.388 10.441 1.00 0.00 C ATOM 1323 CD2 TYR B 359 5.497 0.649 8.519 1.00 0.00 C ATOM 1324 CE1 TYR B 359 5.721 -1.079 10.657 1.00 0.00 C ATOM 1325 CE2 TYR B 359 6.677 -0.036 8.728 1.00 0.00 C ATOM 1326 CZ TYR B 359 6.785 -0.900 9.797 1.00 0.00 C ATOM 1327 OH TYR B 359 7.962 -1.587 10.005 1.00 0.00 O ATOM 0 H TYR B 359 0.928 2.146 8.440 1.00 0.00 H new ATOM 0 HA TYR B 359 2.327 -0.183 7.725 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.298 2.030 8.403 1.00 0.00 H new ATOM 0 HB3 TYR B 359 2.804 1.713 10.054 1.00 0.00 H new ATOM 0 HD1 TYR B 359 3.713 -0.530 11.116 1.00 0.00 H new ATOM 0 HD2 TYR B 359 5.416 1.323 7.679 1.00 0.00 H new ATOM 0 HE1 TYR B 359 5.808 -1.755 11.494 1.00 0.00 H new ATOM 0 HE2 TYR B 359 7.512 0.104 8.057 1.00 0.00 H new ATOM 0 HH TYR B 359 8.608 -1.347 9.309 1.00 0.00 H new ATOM 1337 N ALA B 360 0.697 -0.320 10.580 1.00 0.00 N ATOM 1338 CA ALA B 360 0.260 -1.212 11.660 1.00 0.00 C ATOM 1339 C ALA B 360 -0.424 -2.478 11.142 1.00 0.00 C ATOM 1340 O ALA B 360 -0.025 -3.590 11.493 1.00 0.00 O ATOM 1341 CB ALA B 360 -0.665 -0.475 12.616 1.00 0.00 C ATOM 0 H ALA B 360 0.252 0.598 10.589 1.00 0.00 H new ATOM 0 HA ALA B 360 1.159 -1.526 12.190 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.980 -1.151 13.411 1.00 0.00 H new ATOM 0 HB2 ALA B 360 -0.138 0.375 13.050 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -1.541 -0.120 12.073 1.00 0.00 H new ATOM 1347 N GLN B 361 -1.460 -2.305 10.321 1.00 0.00 N ATOM 1348 CA GLN B 361 -2.201 -3.442 9.774 1.00 0.00 C ATOM 1349 C GLN B 361 -1.321 -4.274 8.842 1.00 0.00 C ATOM 1350 O GLN B 361 -1.370 -5.505 8.868 1.00 0.00 O ATOM 1351 CB GLN B 361 -3.446 -2.961 9.025 1.00 0.00 C ATOM 1352 CG GLN B 361 -4.435 -2.196 9.890 1.00 0.00 C ATOM 1353 CD GLN B 361 -5.647 -1.723 9.108 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -5.792 -0.410 8.969 1.00 0.00 O flip ATOM 1355 NE2 GLN B 361 -6.440 -2.532 8.623 1.00 0.00 N flip ATOM 0 H GLN B 361 -1.804 -1.393 10.021 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.510 -4.071 10.609 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -3.135 -2.324 8.197 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.951 -3.824 8.591 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.763 -2.833 10.712 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.935 -1.335 10.334 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -6.291 -3.533 8.753 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -7.245 -2.201 8.091 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.511 -3.597 8.030 1.00 0.00 N ATOM 1365 CA VAL B 362 0.393 -4.271 7.099 1.00 0.00 C ATOM 1366 C VAL B 362 1.493 -5.018 7.854 1.00 0.00 C ATOM 1367 O VAL B 362 1.766 -6.183 7.567 1.00 0.00 O ATOM 1368 CB VAL B 362 1.020 -3.265 6.110 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.074 -3.935 5.246 1.00 0.00 C ATOM 1370 CG2 VAL B 362 -0.065 -2.644 5.240 1.00 0.00 C ATOM 0 H VAL B 362 -0.462 -2.579 7.998 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.194 -4.993 6.532 1.00 0.00 H new ATOM 0 HB VAL B 362 1.508 -2.477 6.684 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.499 -3.204 4.559 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.863 -4.338 5.881 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.617 -4.745 4.677 1.00 0.00 H new ATOM 0 HG21 VAL B 362 0.387 -1.936 4.545 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.574 -3.428 4.679 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.785 -2.124 5.872 1.00 0.00 H new ATOM 1380 N ALA B 363 2.107 -4.343 8.830 1.00 0.00 N ATOM 1381 CA ALA B 363 3.164 -4.944 9.647 1.00 0.00 C ATOM 1382 C ALA B 363 2.691 -6.242 10.306 1.00 0.00 C ATOM 1383 O ALA B 363 3.494 -7.143 10.554 1.00 0.00 O ATOM 1384 CB ALA B 363 3.647 -3.964 10.705 1.00 0.00 C ATOM 0 H ALA B 363 1.889 -3.377 9.074 1.00 0.00 H new ATOM 0 HA ALA B 363 3.995 -5.185 8.984 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.432 -4.430 11.301 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.041 -3.071 10.221 1.00 0.00 H new ATOM 0 HB3 ALA B 363 2.815 -3.688 11.353 1.00 0.00 H new ATOM 1390 N ARG B 364 1.383 -6.338 10.571 1.00 0.00 N ATOM 1391 CA ARG B 364 0.805 -7.516 11.174 1.00 0.00 C ATOM 1392 C ARG B 364 0.797 -8.666 10.169 1.00 0.00 C ATOM 1393 O ARG B 364 1.051 -9.816 10.524 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.606 -7.186 11.665 1.00 0.00 C ATOM 1395 CG ARG B 364 -1.534 -8.371 11.679 1.00 0.00 C ATOM 1396 CD ARG B 364 -2.877 -8.021 12.300 1.00 0.00 C ATOM 1397 NE ARG B 364 -3.743 -9.193 12.444 1.00 0.00 N ATOM 1398 CZ ARG B 364 -3.510 -10.202 13.290 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -2.458 -10.175 14.104 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -4.344 -11.237 13.332 1.00 0.00 N ATOM 0 H ARG B 364 0.710 -5.599 10.370 1.00 0.00 H new ATOM 0 HA ARG B 364 1.402 -7.832 12.029 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -0.544 -6.773 12.672 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.031 -6.410 11.028 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -1.685 -8.728 10.660 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -1.075 -9.187 12.238 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.716 -7.568 13.278 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -3.378 -7.275 11.682 1.00 0.00 H new ATOM 0 HE ARG B 364 -4.578 -9.243 11.861 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -1.820 -9.379 14.087 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -2.290 -10.950 14.745 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -5.159 -11.260 12.720 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -4.168 -12.008 13.977 1.00 0.00 H new ATOM 1414 N LEU B 365 0.524 -8.336 8.906 1.00 0.00 N ATOM 1415 CA LEU B 365 0.510 -9.323 7.835 1.00 0.00 C ATOM 1416 C LEU B 365 1.911 -9.904 7.620 1.00 0.00 C ATOM 1417 O LEU B 365 2.087 -11.119 7.529 1.00 0.00 O ATOM 1418 CB LEU B 365 0.024 -8.684 6.522 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.370 -8.050 6.566 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -1.706 -7.394 5.233 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.421 -9.083 6.939 1.00 0.00 C ATOM 0 H LEU B 365 0.309 -7.386 8.602 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.172 -10.123 8.124 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.741 -7.919 6.225 1.00 0.00 H new ATOM 0 HB3 LEU B 365 0.031 -9.447 5.744 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.368 -7.277 7.334 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.700 -6.950 5.286 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -0.973 -6.617 5.015 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -1.686 -8.144 4.443 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.403 -8.610 6.964 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.423 -9.884 6.200 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.192 -9.497 7.921 1.00 0.00 H new ATOM 1433 N PHE B 366 2.894 -9.007 7.497 1.00 0.00 N ATOM 1434 CA PHE B 366 4.282 -9.380 7.242 1.00 0.00 C ATOM 1435 C PHE B 366 5.104 -9.581 8.521 1.00 0.00 C ATOM 1436 O PHE B 366 6.189 -9.012 8.659 1.00 0.00 O ATOM 1437 CB PHE B 366 4.890 -8.295 6.362 1.00 0.00 C ATOM 1438 CG PHE B 366 4.066 -8.048 5.134 1.00 0.00 C ATOM 1439 CD1 PHE B 366 3.683 -9.104 4.329 1.00 0.00 C ATOM 1440 CD2 PHE B 366 3.641 -6.774 4.807 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.889 -8.894 3.222 1.00 0.00 C ATOM 1442 CE2 PHE B 366 2.854 -6.559 3.696 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.475 -7.622 2.905 1.00 0.00 C ATOM 0 H PHE B 366 2.746 -8.001 7.572 1.00 0.00 H new ATOM 0 HA PHE B 366 4.300 -10.349 6.743 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.978 -7.371 6.933 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.899 -8.586 6.070 1.00 0.00 H new ATOM 0 HD1 PHE B 366 4.009 -10.105 4.570 1.00 0.00 H new ATOM 0 HD2 PHE B 366 3.928 -5.939 5.428 1.00 0.00 H new ATOM 0 HE1 PHE B 366 2.592 -9.728 2.604 1.00 0.00 H new ATOM 0 HE2 PHE B 366 2.535 -5.558 3.446 1.00 0.00 H new ATOM 0 HZ PHE B 366 1.854 -7.456 2.037 1.00 0.00 H new ATOM 1453 N LYS B 367 4.592 -10.395 9.447 1.00 0.00 N ATOM 1454 CA LYS B 367 5.296 -10.675 10.705 1.00 0.00 C ATOM 1455 C LYS B 367 6.740 -11.130 10.462 1.00 0.00 C ATOM 1456 O LYS B 367 7.683 -10.368 10.681 1.00 0.00 O ATOM 1457 CB LYS B 367 4.549 -11.728 11.533 1.00 0.00 C ATOM 1458 CG LYS B 367 3.167 -11.291 11.996 1.00 0.00 C ATOM 1459 CD LYS B 367 3.215 -9.989 12.789 1.00 0.00 C ATOM 1460 CE LYS B 367 4.082 -10.109 14.036 1.00 0.00 C ATOM 1461 NZ LYS B 367 3.541 -11.104 15.006 1.00 0.00 N ATOM 0 H LYS B 367 3.695 -10.872 9.352 1.00 0.00 H new ATOM 0 HA LYS B 367 5.325 -9.741 11.265 1.00 0.00 H new ATOM 0 HB2 LYS B 367 4.451 -12.637 10.940 1.00 0.00 H new ATOM 0 HB3 LYS B 367 5.150 -11.980 12.407 1.00 0.00 H new ATOM 0 HG2 LYS B 367 2.518 -11.164 11.130 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.727 -12.075 12.612 1.00 0.00 H new ATOM 0 HD2 LYS B 367 3.602 -9.192 12.154 1.00 0.00 H new ATOM 0 HD3 LYS B 367 2.203 -9.703 13.077 1.00 0.00 H new ATOM 0 HE2 LYS B 367 5.092 -10.398 13.747 1.00 0.00 H new ATOM 0 HE3 LYS B 367 4.155 -9.135 14.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 4.104 -11.079 15.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 2.551 -10.872 15.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 3.590 -12.056 14.590 1.00 0.00 H new ATOM 1475 N ASN B 368 6.902 -12.385 10.026 1.00 0.00 N ATOM 1476 CA ASN B 368 8.228 -12.960 9.768 1.00 0.00 C ATOM 1477 C ASN B 368 8.749 -12.630 8.360 1.00 0.00 C ATOM 1478 O ASN B 368 9.378 -13.470 7.713 1.00 0.00 O ATOM 1479 CB ASN B 368 8.190 -14.482 9.973 1.00 0.00 C ATOM 1480 CG ASN B 368 7.214 -15.181 9.040 1.00 0.00 C ATOM 1481 OD1 ASN B 368 6.010 -14.923 9.073 1.00 0.00 O ATOM 1482 ND2 ASN B 368 7.729 -16.074 8.200 1.00 0.00 N ATOM 0 H ASN B 368 6.128 -13.024 9.844 1.00 0.00 H new ATOM 0 HA ASN B 368 8.919 -12.509 10.480 1.00 0.00 H new ATOM 0 HB2 ASN B 368 9.189 -14.889 9.817 1.00 0.00 H new ATOM 0 HB3 ASN B 368 7.915 -14.698 11.006 1.00 0.00 H new ATOM 0 HD21 ASN B 368 7.121 -16.574 7.551 1.00 0.00 H new ATOM 0 HD22 ASN B 368 8.732 -16.259 8.204 1.00 0.00 H new ATOM 1489 N GLN B 369 8.495 -11.409 7.890 1.00 0.00 N ATOM 1490 CA GLN B 369 8.950 -10.986 6.565 1.00 0.00 C ATOM 1491 C GLN B 369 9.219 -9.482 6.529 1.00 0.00 C ATOM 1492 O GLN B 369 8.658 -8.749 5.711 1.00 0.00 O ATOM 1493 CB GLN B 369 7.930 -11.401 5.497 1.00 0.00 C ATOM 1494 CG GLN B 369 6.486 -11.160 5.907 1.00 0.00 C ATOM 1495 CD GLN B 369 5.499 -12.137 5.285 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.366 -12.249 5.750 1.00 0.00 O ATOM 1497 NE2 GLN B 369 5.901 -12.836 4.224 1.00 0.00 N ATOM 0 H GLN B 369 7.978 -10.697 8.405 1.00 0.00 H new ATOM 0 HA GLN B 369 9.893 -11.487 6.346 1.00 0.00 H new ATOM 0 HB2 GLN B 369 8.135 -10.851 4.578 1.00 0.00 H new ATOM 0 HB3 GLN B 369 8.063 -12.459 5.271 1.00 0.00 H new ATOM 0 HG2 GLN B 369 6.411 -11.224 6.993 1.00 0.00 H new ATOM 0 HG3 GLN B 369 6.203 -10.145 5.627 1.00 0.00 H new ATOM 0 HE21 GLN B 369 6.848 -12.718 3.865 1.00 0.00 H new ATOM 0 HE22 GLN B 369 5.261 -13.489 3.771 1.00 0.00 H new ATOM 1506 N GLU B 370 10.098 -9.042 7.436 1.00 0.00 N ATOM 1507 CA GLU B 370 10.490 -7.633 7.549 1.00 0.00 C ATOM 1508 C GLU B 370 10.936 -7.035 6.212 1.00 0.00 C ATOM 1509 O GLU B 370 10.875 -5.821 6.026 1.00 0.00 O ATOM 1510 CB GLU B 370 11.612 -7.483 8.568 1.00 0.00 C ATOM 1511 CG GLU B 370 12.843 -8.289 8.218 1.00 0.00 C ATOM 1512 CD GLU B 370 13.957 -8.144 9.237 1.00 0.00 C ATOM 1513 OE1 GLU B 370 14.452 -7.011 9.422 1.00 0.00 O ATOM 1514 OE2 GLU B 370 14.336 -9.164 9.851 1.00 0.00 O ATOM 0 H GLU B 370 10.557 -9.652 8.112 1.00 0.00 H new ATOM 0 HA GLU B 370 9.606 -7.085 7.876 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.885 -6.431 8.647 1.00 0.00 H new ATOM 0 HB3 GLU B 370 11.249 -7.793 9.548 1.00 0.00 H new ATOM 0 HG2 GLU B 370 12.570 -9.341 8.134 1.00 0.00 H new ATOM 0 HG3 GLU B 370 13.210 -7.976 7.240 1.00 0.00 H new ATOM 1521 N ASP B 371 11.394 -7.888 5.292 1.00 0.00 N ATOM 1522 CA ASP B 371 11.861 -7.428 3.985 1.00 0.00 C ATOM 1523 C ASP B 371 10.721 -6.758 3.224 1.00 0.00 C ATOM 1524 O ASP B 371 10.823 -5.584 2.862 1.00 0.00 O ATOM 1525 CB ASP B 371 12.424 -8.596 3.165 1.00 0.00 C ATOM 1526 CG ASP B 371 13.627 -9.251 3.821 1.00 0.00 C ATOM 1527 OD1 ASP B 371 13.471 -9.817 4.925 1.00 0.00 O ATOM 1528 OD2 ASP B 371 14.726 -9.197 3.232 1.00 0.00 O ATOM 0 H ASP B 371 11.451 -8.897 5.429 1.00 0.00 H new ATOM 0 HA ASP B 371 12.658 -6.702 4.144 1.00 0.00 H new ATOM 0 HB2 ASP B 371 11.643 -9.343 3.022 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.707 -8.236 2.176 1.00 0.00 H new ATOM 1533 N LEU B 372 9.629 -7.494 3.012 1.00 0.00 N ATOM 1534 CA LEU B 372 8.462 -6.942 2.328 1.00 0.00 C ATOM 1535 C LEU B 372 8.006 -5.649 3.018 1.00 0.00 C ATOM 1536 O LEU B 372 7.641 -4.678 2.356 1.00 0.00 O ATOM 1537 CB LEU B 372 7.325 -7.971 2.283 1.00 0.00 C ATOM 1538 CG LEU B 372 7.595 -9.202 1.406 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.511 -10.253 1.609 1.00 0.00 C ATOM 1540 CD2 LEU B 372 7.691 -8.804 -0.068 1.00 0.00 C ATOM 0 H LEU B 372 9.530 -8.467 3.302 1.00 0.00 H new ATOM 0 HA LEU B 372 8.739 -6.704 1.301 1.00 0.00 H new ATOM 0 HB2 LEU B 372 7.119 -8.306 3.299 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.423 -7.477 1.921 1.00 0.00 H new ATOM 0 HG LEU B 372 8.550 -9.633 1.706 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.720 -11.118 0.979 1.00 0.00 H new ATOM 0 HD12 LEU B 372 6.494 -10.561 2.654 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.542 -9.833 1.339 1.00 0.00 H new ATOM 0 HD21 LEU B 372 7.883 -9.691 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU B 372 6.753 -8.346 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.505 -8.092 -0.200 1.00 0.00 H new ATOM 1552 N LEU B 373 8.061 -5.637 4.357 1.00 0.00 N ATOM 1553 CA LEU B 373 7.678 -4.455 5.136 1.00 0.00 C ATOM 1554 C LEU B 373 8.602 -3.276 4.840 1.00 0.00 C ATOM 1555 O LEU B 373 8.141 -2.138 4.720 1.00 0.00 O ATOM 1556 CB LEU B 373 7.694 -4.767 6.637 1.00 0.00 C ATOM 1557 CG LEU B 373 6.441 -5.451 7.176 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.592 -5.754 8.659 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.214 -4.582 6.930 1.00 0.00 C ATOM 0 H LEU B 373 8.366 -6.431 4.920 1.00 0.00 H new ATOM 0 HA LEU B 373 6.665 -4.181 4.842 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.554 -5.402 6.850 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.842 -3.835 7.183 1.00 0.00 H new ATOM 0 HG LEU B 373 6.309 -6.394 6.646 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.688 -6.242 9.025 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.447 -6.413 8.810 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.749 -4.824 9.206 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.329 -5.084 7.320 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.340 -3.624 7.434 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.095 -4.416 5.859 1.00 0.00 H new ATOM 1571 N SER B 374 9.904 -3.549 4.713 1.00 0.00 N ATOM 1572 CA SER B 374 10.883 -2.503 4.413 1.00 0.00 C ATOM 1573 C SER B 374 10.494 -1.767 3.133 1.00 0.00 C ATOM 1574 O SER B 374 10.539 -0.538 3.075 1.00 0.00 O ATOM 1575 CB SER B 374 12.286 -3.102 4.267 1.00 0.00 C ATOM 1576 OG SER B 374 12.696 -3.748 5.460 1.00 0.00 O ATOM 0 H SER B 374 10.302 -4.483 4.813 1.00 0.00 H new ATOM 0 HA SER B 374 10.892 -1.794 5.241 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.295 -3.815 3.443 1.00 0.00 H new ATOM 0 HB3 SER B 374 12.996 -2.314 4.015 1.00 0.00 H new ATOM 0 HG SER B 374 12.089 -4.492 5.654 1.00 0.00 H new ATOM 1582 N GLU B 375 10.095 -2.536 2.116 1.00 0.00 N ATOM 1583 CA GLU B 375 9.671 -1.975 0.836 1.00 0.00 C ATOM 1584 C GLU B 375 8.408 -1.131 1.008 1.00 0.00 C ATOM 1585 O GLU B 375 8.281 -0.059 0.416 1.00 0.00 O ATOM 1586 CB GLU B 375 9.407 -3.099 -0.172 1.00 0.00 C ATOM 1587 CG GLU B 375 9.026 -2.608 -1.562 1.00 0.00 C ATOM 1588 CD GLU B 375 10.063 -1.681 -2.165 1.00 0.00 C ATOM 1589 OE1 GLU B 375 11.231 -2.102 -2.293 1.00 0.00 O ATOM 1590 OE2 GLU B 375 9.707 -0.535 -2.510 1.00 0.00 O ATOM 0 H GLU B 375 10.058 -3.554 2.158 1.00 0.00 H new ATOM 0 HA GLU B 375 10.471 -1.336 0.462 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.299 -3.721 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU B 375 8.608 -3.735 0.209 1.00 0.00 H new ATOM 0 HG2 GLU B 375 8.887 -3.466 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU B 375 8.069 -2.089 -1.509 1.00 0.00 H new ATOM 1597 N PHE B 376 7.477 -1.636 1.820 1.00 0.00 N ATOM 1598 CA PHE B 376 6.214 -0.954 2.082 1.00 0.00 C ATOM 1599 C PHE B 376 6.431 0.483 2.564 1.00 0.00 C ATOM 1600 O PHE B 376 5.924 1.428 1.959 1.00 0.00 O ATOM 1601 CB PHE B 376 5.406 -1.721 3.130 1.00 0.00 C ATOM 1602 CG PHE B 376 4.043 -1.143 3.360 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.238 -0.797 2.287 1.00 0.00 C ATOM 1604 CD2 PHE B 376 3.564 -0.946 4.645 1.00 0.00 C ATOM 1605 CE1 PHE B 376 1.985 -0.266 2.489 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.309 -0.414 4.854 1.00 0.00 C ATOM 1607 CZ PHE B 376 1.519 -0.074 3.772 1.00 0.00 C ATOM 0 H PHE B 376 7.579 -2.524 2.311 1.00 0.00 H new ATOM 0 HA PHE B 376 5.665 -0.919 1.141 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.305 -2.759 2.814 1.00 0.00 H new ATOM 0 HB3 PHE B 376 5.955 -1.726 4.071 1.00 0.00 H new ATOM 0 HD1 PHE B 376 3.598 -0.946 1.280 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.180 -1.212 5.492 1.00 0.00 H new ATOM 0 HE1 PHE B 376 1.368 -0.000 1.644 1.00 0.00 H new ATOM 0 HE2 PHE B 376 1.945 -0.264 5.860 1.00 0.00 H new ATOM 0 HZ PHE B 376 0.535 0.343 3.932 1.00 0.00 H new ATOM 1617 N GLY B 377 7.169 0.629 3.669 1.00 0.00 N ATOM 1618 CA GLY B 377 7.435 1.945 4.241 1.00 0.00 C ATOM 1619 C GLY B 377 7.982 2.961 3.247 1.00 0.00 C ATOM 1620 O GLY B 377 7.859 4.165 3.465 1.00 0.00 O ATOM 0 H GLY B 377 7.590 -0.147 4.181 1.00 0.00 H new ATOM 0 HA2 GLY B 377 6.512 2.335 4.671 1.00 0.00 H new ATOM 0 HA3 GLY B 377 8.146 1.836 5.060 1.00 0.00 H new ATOM 1624 N GLN B 378 8.596 2.486 2.160 1.00 0.00 N ATOM 1625 CA GLN B 378 9.166 3.376 1.146 1.00 0.00 C ATOM 1626 C GLN B 378 8.091 4.102 0.321 1.00 0.00 C ATOM 1627 O GLN B 378 8.410 5.042 -0.410 1.00 0.00 O ATOM 1628 CB GLN B 378 10.096 2.591 0.217 1.00 0.00 C ATOM 1629 CG GLN B 378 11.291 1.980 0.934 1.00 0.00 C ATOM 1630 CD GLN B 378 12.224 1.239 -0.004 1.00 0.00 C ATOM 1631 OE1 GLN B 378 11.828 0.277 -0.661 1.00 0.00 O ATOM 1632 NE2 GLN B 378 13.476 1.681 -0.072 1.00 0.00 N ATOM 0 H GLN B 378 8.711 1.492 1.960 1.00 0.00 H new ATOM 0 HA GLN B 378 9.733 4.140 1.678 1.00 0.00 H new ATOM 0 HB2 GLN B 378 9.528 1.797 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN B 378 10.454 3.254 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN B 378 11.846 2.769 1.443 1.00 0.00 H new ATOM 0 HG3 GLN B 378 10.936 1.294 1.703 1.00 0.00 H new ATOM 0 HE21 GLN B 378 13.765 2.482 0.489 1.00 0.00 H new ATOM 0 HE22 GLN B 378 14.147 1.219 -0.685 1.00 0.00 H new ATOM 1641 N PHE B 379 6.826 3.677 0.432 1.00 0.00 N ATOM 1642 CA PHE B 379 5.741 4.312 -0.317 1.00 0.00 C ATOM 1643 C PHE B 379 5.053 5.378 0.531 1.00 0.00 C ATOM 1644 O PHE B 379 4.847 6.505 0.077 1.00 0.00 O ATOM 1645 CB PHE B 379 4.716 3.266 -0.772 1.00 0.00 C ATOM 1646 CG PHE B 379 5.339 2.080 -1.450 1.00 0.00 C ATOM 1647 CD1 PHE B 379 6.029 2.226 -2.641 1.00 0.00 C ATOM 1648 CD2 PHE B 379 5.247 0.819 -0.884 1.00 0.00 C ATOM 1649 CE1 PHE B 379 6.613 1.136 -3.257 1.00 0.00 C ATOM 1650 CE2 PHE B 379 5.829 -0.273 -1.492 1.00 0.00 C ATOM 1651 CZ PHE B 379 6.513 -0.116 -2.681 1.00 0.00 C ATOM 0 H PHE B 379 6.533 2.903 1.028 1.00 0.00 H new ATOM 0 HA PHE B 379 6.172 4.789 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE B 379 4.148 2.924 0.093 1.00 0.00 H new ATOM 0 HB3 PHE B 379 4.007 3.735 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE B 379 6.112 3.203 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE B 379 4.712 0.690 0.045 1.00 0.00 H new ATOM 0 HE1 PHE B 379 7.147 1.262 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE B 379 5.750 -1.250 -1.039 1.00 0.00 H new ATOM 0 HZ PHE B 379 6.969 -0.970 -3.160 1.00 0.00 H new ATOM 1661 N LEU B 380 4.709 5.012 1.765 1.00 0.00 N ATOM 1662 CA LEU B 380 4.052 5.934 2.686 1.00 0.00 C ATOM 1663 C LEU B 380 5.079 6.662 3.558 1.00 0.00 C ATOM 1664 O LEU B 380 6.246 6.270 3.608 1.00 0.00 O ATOM 1665 CB LEU B 380 3.027 5.197 3.560 1.00 0.00 C ATOM 1666 CG LEU B 380 3.582 4.088 4.460 1.00 0.00 C ATOM 1667 CD1 LEU B 380 2.651 3.854 5.640 1.00 0.00 C ATOM 1668 CD2 LEU B 380 3.755 2.800 3.668 1.00 0.00 C ATOM 0 H LEU B 380 4.875 4.082 2.149 1.00 0.00 H new ATOM 0 HA LEU B 380 3.522 6.678 2.092 1.00 0.00 H new ATOM 0 HB2 LEU B 380 2.523 5.930 4.190 1.00 0.00 H new ATOM 0 HB3 LEU B 380 2.269 4.763 2.908 1.00 0.00 H new ATOM 0 HG LEU B 380 4.556 4.401 4.836 1.00 0.00 H new ATOM 0 HD11 LEU B 380 3.056 3.064 6.272 1.00 0.00 H new ATOM 0 HD12 LEU B 380 2.561 4.772 6.220 1.00 0.00 H new ATOM 0 HD13 LEU B 380 1.668 3.558 5.275 1.00 0.00 H new ATOM 0 HD21 LEU B 380 4.150 2.022 4.321 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.790 2.485 3.270 1.00 0.00 H new ATOM 0 HD23 LEU B 380 4.449 2.970 2.845 1.00 0.00 H new