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 368 ASN : amide:sc= -0.315 K(o=-3.1,f=-5.4) USER MOD Set 1.2: B 369 GLN : amide:sc= -2.81 K(o=-3.1,f=-3.9!) USER MOD Set 2.1: B 312 ASN : amide:sc= -0.576 K(o=-1.7,f=-2.2) USER MOD Set 2.2: B 316 ASN : amide:sc= -1.1 X(o=-1.7,f=-1.9) USER MOD Set 3.1: B 305 ASN : amide:sc= -0.299 K(o=-0.4,f=-3.1) USER MOD Set 3.2: B 309 ASN :FLIP amide:sc= -0.0997 F(o=-1.9,f=-0.4) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 174:sc= -1.12 (180deg=-1.19) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 306 HIS :FLIP no HE2:sc= -0.506 F(o=-2.2,f=-0.51) USER MOD Single : B 310 TYR OH : rot 12:sc= -1.65! USER MOD Single : B 313 LYS NZ :NH3+ 159:sc= -0.0213 (180deg=-0.257) USER MOD Single : B 315 LYS NZ :NH3+ -162:sc= -0.0434 (180deg=-0.333) USER MOD Single : B 319 GLN :FLIP amide:sc= -0.115 F(o=-1.1,f=-0.11) USER MOD Single : B 321 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.26) USER MOD Single : B 325 TYR OH : rot 162:sc= -1.7 USER MOD Single : B 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 333 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-4.5!) USER MOD Single : B 334 THR OG1 : rot 70:sc= 0.584 USER MOD Single : B 335 TYR OH : rot -22:sc= 0.0957 USER MOD Single : B 336 GLN : amide:sc= -1.38! C(o=-1.4!,f=-3.1!) USER MOD Single : B 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 354 THR OG1 : rot 180:sc= -0.226 USER MOD Single : B 356 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.1) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 374 SER OG : rot -81:sc= 1.22 USER MOD Single : B 378 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 0.959 4.377 -1.722 1.00 0.00 N ATOM 59 CA ILE A 9 0.204 3.137 -1.544 1.00 0.00 C ATOM 60 C ILE A 9 -0.679 2.873 -2.725 1.00 0.00 C ATOM 61 O ILE A 9 -0.793 1.735 -3.180 1.00 0.00 O ATOM 62 CB ILE A 9 -0.703 3.140 -0.309 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.514 4.428 -0.196 1.00 0.00 C ATOM 64 CG2 ILE A 9 0.105 2.905 0.928 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.515 4.390 0.932 1.00 0.00 C ATOM 0 HA ILE A 9 0.965 2.366 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.418 2.325 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.835 5.268 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.038 4.606 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.552 2.910 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.607 1.940 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.850 3.694 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.063 5.332 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.214 3.569 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.993 4.241 1.877 1.00 0.00 H new ATOM 77 N GLN A 10 -1.321 3.927 -3.211 1.00 0.00 N ATOM 78 CA GLN A 10 -2.206 3.785 -4.333 1.00 0.00 C ATOM 79 C GLN A 10 -1.457 3.141 -5.501 1.00 0.00 C ATOM 80 O GLN A 10 -2.036 2.396 -6.289 1.00 0.00 O ATOM 81 CB GLN A 10 -2.799 5.138 -4.741 1.00 0.00 C ATOM 82 CG GLN A 10 -3.748 5.061 -5.929 1.00 0.00 C ATOM 83 CD GLN A 10 -4.285 6.421 -6.336 1.00 0.00 C ATOM 84 OE1 GLN A 10 -4.947 7.100 -5.552 1.00 0.00 O ATOM 85 NE2 GLN A 10 -4.000 6.828 -7.570 1.00 0.00 N ATOM 0 H GLN A 10 -1.240 4.875 -2.843 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.035 3.138 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.331 5.562 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.986 5.823 -4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.229 4.611 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.582 4.404 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.448 6.234 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.334 7.734 -7.898 1.00 0.00 H new ATOM 94 N MET A 11 -0.147 3.416 -5.572 1.00 0.00 N ATOM 95 CA MET A 11 0.712 2.848 -6.602 1.00 0.00 C ATOM 96 C MET A 11 0.607 1.326 -6.590 1.00 0.00 C ATOM 97 O MET A 11 0.450 0.702 -7.638 1.00 0.00 O ATOM 98 CB MET A 11 2.167 3.289 -6.381 1.00 0.00 C ATOM 99 CG MET A 11 2.377 4.784 -6.556 1.00 0.00 C ATOM 100 SD MET A 11 4.032 5.323 -6.086 1.00 0.00 S ATOM 101 CE MET A 11 5.030 4.441 -7.279 1.00 0.00 C ATOM 0 H MET A 11 0.337 4.034 -4.920 1.00 0.00 H new ATOM 0 HA MET A 11 0.385 3.212 -7.576 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.478 3.001 -5.377 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.811 2.755 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.196 5.051 -7.597 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.642 5.321 -5.956 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.070 4.754 -7.186 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.955 3.369 -7.094 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.674 4.662 -8.285 1.00 0.00 H new ATOM 111 N LEU A 12 0.662 0.735 -5.390 1.00 0.00 N ATOM 112 CA LEU A 12 0.540 -0.713 -5.253 1.00 0.00 C ATOM 113 C LEU A 12 -0.912 -1.137 -5.414 1.00 0.00 C ATOM 114 O LEU A 12 -1.215 -2.022 -6.206 1.00 0.00 O ATOM 115 CB LEU A 12 1.032 -1.218 -3.896 1.00 0.00 C ATOM 116 CG LEU A 12 2.455 -0.838 -3.498 1.00 0.00 C ATOM 117 CD1 LEU A 12 2.468 0.494 -2.764 1.00 0.00 C ATOM 118 CD2 LEU A 12 3.067 -1.936 -2.642 1.00 0.00 C ATOM 0 H LEU A 12 0.789 1.236 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 12 1.164 -1.148 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.353 -0.846 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.956 -2.305 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 12 3.055 -0.728 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.492 0.748 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.064 1.271 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.858 0.419 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.083 -1.656 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.468 -2.072 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.090 -2.868 -3.207 1.00 0.00 H new ATOM 130 N LEU A 13 -1.807 -0.504 -4.642 1.00 0.00 N ATOM 131 CA LEU A 13 -3.238 -0.827 -4.693 1.00 0.00 C ATOM 132 C LEU A 13 -3.725 -0.976 -6.134 1.00 0.00 C ATOM 133 O LEU A 13 -4.218 -2.036 -6.524 1.00 0.00 O ATOM 134 CB LEU A 13 -4.064 0.258 -3.990 1.00 0.00 C ATOM 135 CG LEU A 13 -3.812 0.412 -2.490 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.589 1.598 -1.936 1.00 0.00 C ATOM 137 CD2 LEU A 13 -4.192 -0.865 -1.760 1.00 0.00 C ATOM 0 H LEU A 13 -1.565 0.231 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.373 -1.778 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.862 1.214 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.121 0.040 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.750 0.598 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.397 1.692 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.272 2.509 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.655 1.443 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.008 -0.743 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.248 -1.077 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.593 -1.693 -2.139 1.00 0.00 H new ATOM 149 N GLU A 14 -3.576 0.093 -6.921 1.00 0.00 N ATOM 150 CA GLU A 14 -3.991 0.084 -8.324 1.00 0.00 C ATOM 151 C GLU A 14 -3.310 -1.059 -9.077 1.00 0.00 C ATOM 152 O GLU A 14 -3.930 -1.722 -9.909 1.00 0.00 O ATOM 153 CB GLU A 14 -3.660 1.428 -8.988 1.00 0.00 C ATOM 154 CG GLU A 14 -4.360 2.626 -8.352 1.00 0.00 C ATOM 155 CD GLU A 14 -5.876 2.552 -8.439 1.00 0.00 C ATOM 156 OE1 GLU A 14 -6.470 1.655 -7.801 1.00 0.00 O ATOM 157 OE2 GLU A 14 -6.469 3.395 -9.143 1.00 0.00 O ATOM 0 H GLU A 14 -3.171 0.976 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.070 -0.069 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.582 1.586 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.934 1.378 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.066 2.696 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.019 3.539 -8.840 1.00 0.00 H new ATOM 164 N ALA A 15 -2.034 -1.289 -8.759 1.00 0.00 N ATOM 165 CA ALA A 15 -1.259 -2.358 -9.376 1.00 0.00 C ATOM 166 C ALA A 15 -1.818 -3.726 -9.019 1.00 0.00 C ATOM 167 O ALA A 15 -2.011 -4.559 -9.899 1.00 0.00 O ATOM 168 CB ALA A 15 0.185 -2.275 -8.944 1.00 0.00 C ATOM 0 H ALA A 15 -1.516 -0.742 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.324 -2.231 -10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.752 -3.080 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.601 -1.314 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.247 -2.371 -7.860 1.00 0.00 H new ATOM 174 N ALA A 16 -2.059 -3.952 -7.722 1.00 0.00 N ATOM 175 CA ALA A 16 -2.579 -5.229 -7.247 1.00 0.00 C ATOM 176 C ALA A 16 -3.672 -5.761 -8.169 1.00 0.00 C ATOM 177 O ALA A 16 -3.617 -6.906 -8.597 1.00 0.00 O ATOM 178 CB ALA A 16 -3.120 -5.119 -5.835 1.00 0.00 C ATOM 0 H ALA A 16 -1.900 -3.263 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.743 -5.928 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.499 -6.089 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.323 -4.801 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.928 -4.388 -5.811 1.00 0.00 H new ATOM 184 N ASP A 17 -4.659 -4.908 -8.473 1.00 0.00 N ATOM 185 CA ASP A 17 -5.764 -5.283 -9.358 1.00 0.00 C ATOM 186 C ASP A 17 -5.230 -5.922 -10.641 1.00 0.00 C ATOM 187 O ASP A 17 -5.724 -6.962 -11.081 1.00 0.00 O ATOM 188 CB ASP A 17 -6.617 -4.049 -9.691 1.00 0.00 C ATOM 189 CG ASP A 17 -7.838 -4.376 -10.534 1.00 0.00 C ATOM 190 OD1 ASP A 17 -7.669 -4.778 -11.706 1.00 0.00 O ATOM 191 OD2 ASP A 17 -8.968 -4.231 -10.022 1.00 0.00 O ATOM 0 H ASP A 17 -4.713 -3.953 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.389 -6.013 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.940 -3.577 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.002 -3.322 -10.221 1.00 0.00 H new ATOM 196 N TYR A 18 -4.203 -5.300 -11.219 1.00 0.00 N ATOM 197 CA TYR A 18 -3.576 -5.806 -12.434 1.00 0.00 C ATOM 198 C TYR A 18 -2.764 -7.060 -12.131 1.00 0.00 C ATOM 199 O TYR A 18 -2.826 -8.042 -12.875 1.00 0.00 O ATOM 200 CB TYR A 18 -2.697 -4.714 -13.065 1.00 0.00 C ATOM 201 CG TYR A 18 -1.872 -5.168 -14.254 1.00 0.00 C ATOM 202 CD1 TYR A 18 -0.788 -6.023 -14.091 1.00 0.00 C ATOM 203 CD2 TYR A 18 -2.179 -4.736 -15.539 1.00 0.00 C ATOM 204 CE1 TYR A 18 -0.032 -6.432 -15.173 1.00 0.00 C ATOM 205 CE2 TYR A 18 -1.428 -5.143 -16.626 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.356 -5.990 -16.438 1.00 0.00 C ATOM 207 OH TYR A 18 0.394 -6.394 -17.518 1.00 0.00 O ATOM 0 H TYR A 18 -3.787 -4.440 -10.861 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.352 -6.076 -13.150 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.337 -3.889 -13.379 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.024 -4.323 -12.302 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.532 -6.374 -13.102 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.017 -4.072 -15.691 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.808 -7.095 -15.028 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.680 -4.799 -17.618 1.00 0.00 H new ATOM 0 HH TYR A 18 0.032 -5.993 -18.336 1.00 0.00 H new ATOM 217 N LEU A 19 -2.028 -7.027 -11.024 1.00 0.00 N ATOM 218 CA LEU A 19 -1.229 -8.171 -10.599 1.00 0.00 C ATOM 219 C LEU A 19 -2.137 -9.378 -10.389 1.00 0.00 C ATOM 220 O LEU A 19 -1.759 -10.511 -10.696 1.00 0.00 O ATOM 221 CB LEU A 19 -0.488 -7.847 -9.300 1.00 0.00 C ATOM 222 CG LEU A 19 0.289 -6.530 -9.309 1.00 0.00 C ATOM 223 CD1 LEU A 19 0.745 -6.169 -7.909 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.481 -6.606 -10.252 1.00 0.00 C ATOM 0 H LEU A 19 -1.969 -6.219 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.496 -8.399 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.211 -7.819 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.206 -8.659 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.380 -5.748 -9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.296 -5.229 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.124 -6.061 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.391 -6.957 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.016 -5.656 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.150 -7.404 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.132 -6.812 -11.264 1.00 0.00 H new ATOM 236 N GLU A 20 -3.348 -9.114 -9.877 1.00 0.00 N ATOM 237 CA GLU A 20 -4.337 -10.170 -9.630 1.00 0.00 C ATOM 238 C GLU A 20 -4.575 -11.000 -10.890 1.00 0.00 C ATOM 239 O GLU A 20 -4.607 -12.230 -10.833 1.00 0.00 O ATOM 240 CB GLU A 20 -5.665 -9.572 -9.143 1.00 0.00 C ATOM 241 CG GLU A 20 -5.621 -9.017 -7.724 1.00 0.00 C ATOM 242 CD GLU A 20 -5.585 -10.101 -6.660 1.00 0.00 C ATOM 243 OE1 GLU A 20 -4.601 -10.868 -6.619 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.543 -10.181 -5.863 1.00 0.00 O ATOM 0 H GLU A 20 -3.665 -8.177 -9.626 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.938 -10.821 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.962 -8.774 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.437 -10.340 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.742 -8.381 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.494 -8.385 -7.560 1.00 0.00 H new ATOM 416 N PHE B 304 6.617 3.494 -10.140 1.00 0.00 N ATOM 417 CA PHE B 304 5.413 2.672 -10.221 1.00 0.00 C ATOM 418 C PHE B 304 5.764 1.186 -10.191 1.00 0.00 C ATOM 419 O PHE B 304 5.213 0.430 -9.396 1.00 0.00 O ATOM 420 CB PHE B 304 4.623 3.001 -11.494 1.00 0.00 C ATOM 421 CG PHE B 304 3.295 2.294 -11.586 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.308 2.519 -10.638 1.00 0.00 C ATOM 423 CD2 PHE B 304 3.037 1.408 -12.619 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.090 1.873 -10.720 1.00 0.00 C ATOM 425 CE2 PHE B 304 1.819 0.759 -12.706 1.00 0.00 C ATOM 426 CZ PHE B 304 0.845 0.991 -11.755 1.00 0.00 C ATOM 0 HA PHE B 304 4.793 2.897 -9.353 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.455 4.077 -11.538 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.226 2.737 -12.363 1.00 0.00 H new ATOM 0 HD1 PHE B 304 2.494 3.207 -9.827 1.00 0.00 H new ATOM 0 HD2 PHE B 304 3.796 1.222 -13.365 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.330 2.057 -9.976 1.00 0.00 H new ATOM 0 HE2 PHE B 304 1.630 0.071 -13.517 1.00 0.00 H new ATOM 0 HZ PHE B 304 -0.106 0.484 -11.820 1.00 0.00 H new ATOM 436 N ASN B 305 6.687 0.779 -11.061 1.00 0.00 N ATOM 437 CA ASN B 305 7.111 -0.618 -11.138 1.00 0.00 C ATOM 438 C ASN B 305 7.679 -1.115 -9.803 1.00 0.00 C ATOM 439 O ASN B 305 7.517 -2.286 -9.461 1.00 0.00 O ATOM 440 CB ASN B 305 8.146 -0.797 -12.257 1.00 0.00 C ATOM 441 CG ASN B 305 8.568 -2.245 -12.455 1.00 0.00 C ATOM 442 OD1 ASN B 305 9.177 -2.854 -11.576 1.00 0.00 O ATOM 443 ND2 ASN B 305 8.243 -2.805 -13.616 1.00 0.00 N ATOM 0 H ASN B 305 7.156 1.397 -11.723 1.00 0.00 H new ATOM 0 HA ASN B 305 6.230 -1.219 -11.364 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.733 -0.415 -13.190 1.00 0.00 H new ATOM 0 HB3 ASN B 305 9.026 -0.196 -12.029 1.00 0.00 H new ATOM 0 HD21 ASN B 305 8.499 -3.774 -13.804 1.00 0.00 H new ATOM 0 HD22 ASN B 305 7.738 -2.265 -14.319 1.00 0.00 H new ATOM 450 N HIS B 306 8.341 -0.230 -9.051 1.00 0.00 N ATOM 451 CA HIS B 306 8.922 -0.606 -7.760 1.00 0.00 C ATOM 452 C HIS B 306 7.844 -1.138 -6.819 1.00 0.00 C ATOM 453 O HIS B 306 7.955 -2.258 -6.316 1.00 0.00 O ATOM 454 CB HIS B 306 9.651 0.580 -7.126 1.00 0.00 C ATOM 455 CG HIS B 306 10.528 0.198 -5.976 1.00 0.00 C ATOM 456 ND1 HIS B 306 10.491 0.570 -4.680 1.00 0.00 N flip ATOM 457 CD2 HIS B 306 11.597 -0.666 -6.096 1.00 0.00 C flip ATOM 458 CE1 HIS B 306 11.528 -0.065 -4.042 1.00 0.00 C flip ATOM 459 NE2 HIS B 306 12.179 -0.806 -4.918 1.00 0.00 N flip ATOM 0 H HIS B 306 8.487 0.745 -9.312 1.00 0.00 H new ATOM 0 HA HIS B 306 9.649 -1.399 -7.934 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.257 1.072 -7.887 1.00 0.00 H new ATOM 0 HB3 HIS B 306 8.915 1.308 -6.785 1.00 0.00 H new ATOM 0 HD1 HIS B 306 9.817 1.206 -4.253 1.00 0.00 H new ATOM 0 HD2 HIS B 306 11.909 -1.151 -7.009 1.00 0.00 H new ATOM 0 HE1 HIS B 306 11.771 0.027 -2.994 1.00 0.00 H new ATOM 468 N ALA B 307 6.789 -0.347 -6.608 1.00 0.00 N ATOM 469 CA ALA B 307 5.680 -0.768 -5.751 1.00 0.00 C ATOM 470 C ALA B 307 4.979 -1.966 -6.371 1.00 0.00 C ATOM 471 O ALA B 307 4.680 -2.945 -5.693 1.00 0.00 O ATOM 472 CB ALA B 307 4.681 0.364 -5.556 1.00 0.00 C ATOM 0 H ALA B 307 6.680 0.582 -7.016 1.00 0.00 H new ATOM 0 HA ALA B 307 6.085 -1.042 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA B 307 3.867 0.025 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.180 1.213 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.280 0.666 -6.523 1.00 0.00 H new ATOM 478 N ILE B 308 4.738 -1.860 -7.674 1.00 0.00 N ATOM 479 CA ILE B 308 4.083 -2.903 -8.457 1.00 0.00 C ATOM 480 C ILE B 308 4.739 -4.258 -8.260 1.00 0.00 C ATOM 481 O ILE B 308 4.121 -5.186 -7.734 1.00 0.00 O ATOM 482 CB ILE B 308 4.112 -2.519 -9.952 1.00 0.00 C ATOM 483 CG1 ILE B 308 2.952 -1.579 -10.274 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.071 -3.751 -10.833 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.512 -0.745 -9.089 1.00 0.00 C ATOM 0 H ILE B 308 4.995 -1.039 -8.222 1.00 0.00 H new ATOM 0 HA ILE B 308 3.053 -2.984 -8.111 1.00 0.00 H new ATOM 0 HB ILE B 308 5.048 -2.000 -10.157 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.246 -0.916 -11.088 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.106 -2.166 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.093 -3.450 -11.880 1.00 0.00 H new ATOM 0 HG22 ILE B 308 4.934 -4.381 -10.618 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.156 -4.310 -10.635 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.685 -0.099 -9.385 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.188 -1.402 -8.282 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.346 -0.132 -8.746 1.00 0.00 H new ATOM 497 N ASN B 309 5.992 -4.362 -8.681 1.00 0.00 N ATOM 498 CA ASN B 309 6.740 -5.596 -8.547 1.00 0.00 C ATOM 499 C ASN B 309 6.852 -5.992 -7.075 1.00 0.00 C ATOM 500 O ASN B 309 6.880 -7.179 -6.750 1.00 0.00 O ATOM 501 CB ASN B 309 8.108 -5.436 -9.202 1.00 0.00 C ATOM 502 CG ASN B 309 8.141 -5.821 -10.679 1.00 0.00 C ATOM 503 OD1 ASN B 309 6.978 -6.037 -11.298 1.00 0.00 O flip ATOM 504 ND2 ASN B 309 9.215 -5.902 -11.273 1.00 0.00 N flip ATOM 0 H ASN B 309 6.510 -3.601 -9.120 1.00 0.00 H new ATOM 0 HA ASN B 309 6.214 -6.403 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.428 -4.399 -9.101 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.831 -6.047 -8.662 1.00 0.00 H new ATOM 0 HD21 ASN B 309 10.088 -5.732 -10.774 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.233 -6.140 -12.265 1.00 0.00 H new ATOM 511 N TYR B 310 6.863 -4.995 -6.180 1.00 0.00 N ATOM 512 CA TYR B 310 6.905 -5.270 -4.749 1.00 0.00 C ATOM 513 C TYR B 310 5.609 -5.968 -4.324 1.00 0.00 C ATOM 514 O TYR B 310 5.641 -6.924 -3.547 1.00 0.00 O ATOM 515 CB TYR B 310 7.120 -3.990 -3.929 1.00 0.00 C ATOM 516 CG TYR B 310 6.743 -4.151 -2.471 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.204 -5.233 -1.731 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.906 -3.239 -1.846 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.839 -5.400 -0.410 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.541 -3.396 -0.525 1.00 0.00 C ATOM 521 CZ TYR B 310 6.007 -4.480 0.187 1.00 0.00 C ATOM 522 OH TYR B 310 5.631 -4.648 1.499 1.00 0.00 O ATOM 0 H TYR B 310 6.844 -4.005 -6.423 1.00 0.00 H new ATOM 0 HA TYR B 310 7.754 -5.925 -4.552 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.166 -3.693 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.530 -3.183 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.858 -5.955 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.534 -2.392 -2.403 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.204 -6.247 0.152 1.00 0.00 H new ATOM 0 HE2 TYR B 310 4.893 -2.673 -0.051 1.00 0.00 H new ATOM 0 HH TYR B 310 6.185 -5.344 1.911 1.00 0.00 H new ATOM 532 N VAL B 311 4.471 -5.500 -4.861 1.00 0.00 N ATOM 533 CA VAL B 311 3.177 -6.108 -4.552 1.00 0.00 C ATOM 534 C VAL B 311 3.218 -7.588 -4.930 1.00 0.00 C ATOM 535 O VAL B 311 2.660 -8.431 -4.230 1.00 0.00 O ATOM 536 CB VAL B 311 1.998 -5.454 -5.318 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.667 -5.990 -4.809 1.00 0.00 C ATOM 538 CG2 VAL B 311 2.009 -3.937 -5.237 1.00 0.00 C ATOM 0 H VAL B 311 4.425 -4.710 -5.505 1.00 0.00 H new ATOM 0 HA VAL B 311 3.008 -5.961 -3.485 1.00 0.00 H new ATOM 0 HB VAL B 311 2.125 -5.721 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.149 -5.520 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.629 -7.069 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.566 -5.765 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.160 -3.537 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL B 311 1.939 -3.628 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL B 311 2.936 -3.556 -5.667 1.00 0.00 H new ATOM 548 N ASN B 312 3.902 -7.889 -6.045 1.00 0.00 N ATOM 549 CA ASN B 312 4.046 -9.261 -6.527 1.00 0.00 C ATOM 550 C ASN B 312 4.633 -10.151 -5.433 1.00 0.00 C ATOM 551 O ASN B 312 4.112 -11.231 -5.169 1.00 0.00 O ATOM 552 CB ASN B 312 4.925 -9.296 -7.784 1.00 0.00 C ATOM 553 CG ASN B 312 5.155 -10.702 -8.311 1.00 0.00 C ATOM 554 OD1 ASN B 312 5.799 -11.522 -7.658 1.00 0.00 O ATOM 555 ND2 ASN B 312 4.627 -10.988 -9.497 1.00 0.00 N ATOM 0 H ASN B 312 4.364 -7.192 -6.629 1.00 0.00 H new ATOM 0 HA ASN B 312 3.059 -9.644 -6.788 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.458 -8.694 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.888 -8.836 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN B 312 4.749 -11.918 -9.899 1.00 0.00 H new ATOM 0 HD22 ASN B 312 4.100 -10.278 -10.005 1.00 0.00 H new ATOM 562 N LYS B 313 5.701 -9.677 -4.779 1.00 0.00 N ATOM 563 CA LYS B 313 6.328 -10.428 -3.687 1.00 0.00 C ATOM 564 C LYS B 313 5.281 -10.839 -2.670 1.00 0.00 C ATOM 565 O LYS B 313 5.180 -12.000 -2.293 1.00 0.00 O ATOM 566 CB LYS B 313 7.381 -9.575 -2.966 1.00 0.00 C ATOM 567 CG LYS B 313 8.709 -9.486 -3.684 1.00 0.00 C ATOM 568 CD LYS B 313 9.661 -8.515 -3.000 1.00 0.00 C ATOM 569 CE LYS B 313 10.076 -9.007 -1.617 1.00 0.00 C ATOM 570 NZ LYS B 313 10.784 -10.318 -1.676 1.00 0.00 N ATOM 0 H LYS B 313 6.146 -8.783 -4.986 1.00 0.00 H new ATOM 0 HA LYS B 313 6.804 -11.306 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.986 -8.568 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.546 -9.988 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS B 313 9.166 -10.475 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.544 -9.168 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS B 313 10.548 -8.379 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS B 313 9.183 -7.540 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS B 313 10.724 -8.266 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS B 313 9.192 -9.101 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.348 -10.447 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 10.087 -11.086 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 11.412 -10.337 -2.505 1.00 0.00 H new ATOM 584 N ILE B 314 4.514 -9.852 -2.233 1.00 0.00 N ATOM 585 CA ILE B 314 3.460 -10.044 -1.249 1.00 0.00 C ATOM 586 C ILE B 314 2.397 -11.008 -1.765 1.00 0.00 C ATOM 587 O ILE B 314 2.108 -12.028 -1.138 1.00 0.00 O ATOM 588 CB ILE B 314 2.817 -8.684 -0.926 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.900 -7.711 -0.464 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.739 -8.830 0.127 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.417 -6.300 -0.268 1.00 0.00 C ATOM 0 H ILE B 314 4.606 -8.888 -2.554 1.00 0.00 H new ATOM 0 HA ILE B 314 3.897 -10.474 -0.348 1.00 0.00 H new ATOM 0 HB ILE B 314 2.343 -8.292 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE B 314 4.322 -8.073 0.474 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.707 -7.709 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.301 -7.854 0.337 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.964 -9.505 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE B 314 2.175 -9.236 1.040 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.247 -5.674 0.060 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.023 -5.916 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.631 -6.286 0.487 1.00 0.00 H new ATOM 603 N LYS B 315 1.832 -10.668 -2.916 1.00 0.00 N ATOM 604 CA LYS B 315 0.805 -11.475 -3.559 1.00 0.00 C ATOM 605 C LYS B 315 1.268 -12.921 -3.769 1.00 0.00 C ATOM 606 O LYS B 315 0.573 -13.866 -3.391 1.00 0.00 O ATOM 607 CB LYS B 315 0.438 -10.829 -4.895 1.00 0.00 C ATOM 608 CG LYS B 315 -0.642 -11.546 -5.654 1.00 0.00 C ATOM 609 CD LYS B 315 -0.940 -10.815 -6.942 1.00 0.00 C ATOM 610 CE LYS B 315 -1.820 -11.650 -7.844 1.00 0.00 C ATOM 611 NZ LYS B 315 -1.119 -12.864 -8.347 1.00 0.00 N ATOM 0 H LYS B 315 2.074 -9.822 -3.431 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.070 -11.513 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.118 -9.803 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.331 -10.778 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.329 -12.568 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.544 -11.611 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.433 -9.868 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.008 -10.578 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -2.716 -11.949 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS B 315 -2.148 -11.045 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 -1.623 -13.237 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -0.145 -12.616 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -1.099 -13.588 -7.600 1.00 0.00 H new ATOM 625 N ASN B 316 2.445 -13.075 -4.375 1.00 0.00 N ATOM 626 CA ASN B 316 3.023 -14.392 -4.652 1.00 0.00 C ATOM 627 C ASN B 316 3.437 -15.106 -3.368 1.00 0.00 C ATOM 628 O ASN B 316 3.124 -16.284 -3.182 1.00 0.00 O ATOM 629 CB ASN B 316 4.232 -14.251 -5.587 1.00 0.00 C ATOM 630 CG ASN B 316 3.862 -13.984 -7.046 1.00 0.00 C ATOM 631 OD1 ASN B 316 4.733 -13.977 -7.914 1.00 0.00 O ATOM 632 ND2 ASN B 316 2.579 -13.754 -7.334 1.00 0.00 N ATOM 0 H ASN B 316 3.023 -12.295 -4.687 1.00 0.00 H new ATOM 0 HA ASN B 316 2.257 -14.996 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.863 -13.438 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.827 -15.163 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN B 316 2.298 -13.566 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN B 316 1.880 -13.767 -6.592 1.00 0.00 H new ATOM 639 N ARG B 317 4.140 -14.394 -2.487 1.00 0.00 N ATOM 640 CA ARG B 317 4.590 -14.970 -1.222 1.00 0.00 C ATOM 641 C ARG B 317 3.413 -15.546 -0.445 1.00 0.00 C ATOM 642 O ARG B 317 3.481 -16.672 0.050 1.00 0.00 O ATOM 643 CB ARG B 317 5.322 -13.922 -0.374 1.00 0.00 C ATOM 644 CG ARG B 317 5.872 -14.462 0.939 1.00 0.00 C ATOM 645 CD ARG B 317 6.884 -15.576 0.709 1.00 0.00 C ATOM 646 NE ARG B 317 7.444 -16.077 1.964 1.00 0.00 N ATOM 647 CZ ARG B 317 8.313 -17.089 2.043 1.00 0.00 C ATOM 648 NH1 ARG B 317 8.717 -17.722 0.944 1.00 0.00 N ATOM 649 NH2 ARG B 317 8.779 -17.470 3.228 1.00 0.00 N ATOM 0 H ARG B 317 4.409 -13.420 -2.626 1.00 0.00 H new ATOM 0 HA ARG B 317 5.286 -15.777 -1.449 1.00 0.00 H new ATOM 0 HB2 ARG B 317 6.144 -13.507 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.638 -13.101 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.342 -13.652 1.497 1.00 0.00 H new ATOM 0 HG3 ARG B 317 5.051 -14.836 1.551 1.00 0.00 H new ATOM 0 HD2 ARG B 317 6.405 -16.396 0.173 1.00 0.00 H new ATOM 0 HD3 ARG B 317 7.690 -15.208 0.074 1.00 0.00 H new ATOM 0 HE ARG B 317 7.153 -15.626 2.832 1.00 0.00 H new ATOM 0 HH11 ARG B 317 8.363 -17.436 0.031 1.00 0.00 H new ATOM 0 HH12 ARG B 317 9.381 -18.493 1.015 1.00 0.00 H new ATOM 0 HH21 ARG B 317 8.473 -16.990 4.075 1.00 0.00 H new ATOM 0 HH22 ARG B 317 9.442 -18.242 3.291 1.00 0.00 H new ATOM 663 N PHE B 318 2.325 -14.774 -0.347 1.00 0.00 N ATOM 664 CA PHE B 318 1.140 -15.236 0.366 1.00 0.00 C ATOM 665 C PHE B 318 0.078 -15.722 -0.628 1.00 0.00 C ATOM 666 O PHE B 318 -1.097 -15.367 -0.514 1.00 0.00 O ATOM 667 CB PHE B 318 0.543 -14.132 1.257 1.00 0.00 C ATOM 668 CG PHE B 318 1.515 -13.101 1.760 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.822 -13.425 2.087 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.097 -11.795 1.913 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.690 -12.455 2.552 1.00 0.00 C ATOM 672 CE2 PHE B 318 1.957 -10.824 2.378 1.00 0.00 C ATOM 673 CZ PHE B 318 3.256 -11.152 2.697 1.00 0.00 C ATOM 0 H PHE B 318 2.245 -13.840 -0.748 1.00 0.00 H new ATOM 0 HA PHE B 318 1.448 -16.061 1.008 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.240 -13.622 0.696 1.00 0.00 H new ATOM 0 HB3 PHE B 318 0.065 -14.603 2.116 1.00 0.00 H new ATOM 0 HD1 PHE B 318 3.165 -14.443 1.978 1.00 0.00 H new ATOM 0 HD2 PHE B 318 0.080 -11.530 1.664 1.00 0.00 H new ATOM 0 HE1 PHE B 318 4.708 -12.716 2.802 1.00 0.00 H new ATOM 0 HE2 PHE B 318 1.613 -9.807 2.492 1.00 0.00 H new ATOM 0 HZ PHE B 318 3.933 -10.393 3.059 1.00 0.00 H new ATOM 683 N GLN B 319 0.500 -16.528 -1.609 1.00 0.00 N ATOM 684 CA GLN B 319 -0.415 -17.063 -2.625 1.00 0.00 C ATOM 685 C GLN B 319 -1.680 -17.667 -2.003 1.00 0.00 C ATOM 686 O GLN B 319 -2.767 -17.554 -2.574 1.00 0.00 O ATOM 687 CB GLN B 319 0.297 -18.102 -3.501 1.00 0.00 C ATOM 688 CG GLN B 319 0.793 -17.547 -4.831 1.00 0.00 C ATOM 689 CD GLN B 319 -0.323 -17.154 -5.797 1.00 0.00 C ATOM 690 OE1 GLN B 319 -1.570 -17.528 -5.497 1.00 0.00 O flip ATOM 691 NE2 GLN B 319 -0.062 -16.528 -6.825 1.00 0.00 N flip ATOM 0 H GLN B 319 1.470 -16.824 -1.721 1.00 0.00 H new ATOM 0 HA GLN B 319 -0.726 -16.225 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN B 319 1.144 -18.510 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -0.385 -18.930 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN B 319 1.417 -16.674 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN B 319 1.428 -18.293 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN B 319 0.900 -16.256 -7.026 1.00 0.00 H new ATOM 0 HE22 GLN B 319 -0.808 -16.281 -7.475 1.00 0.00 H new ATOM 700 N GLY B 320 -1.537 -18.298 -0.833 1.00 0.00 N ATOM 701 CA GLY B 320 -2.683 -18.896 -0.161 1.00 0.00 C ATOM 702 C GLY B 320 -3.213 -18.034 0.977 1.00 0.00 C ATOM 703 O GLY B 320 -3.923 -18.530 1.852 1.00 0.00 O ATOM 0 H GLY B 320 -0.650 -18.405 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.479 -19.061 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -2.400 -19.873 0.230 1.00 0.00 H new ATOM 707 N GLN B 321 -2.866 -16.745 0.961 1.00 0.00 N ATOM 708 CA GLN B 321 -3.300 -15.808 1.991 1.00 0.00 C ATOM 709 C GLN B 321 -4.117 -14.671 1.391 1.00 0.00 C ATOM 710 O GLN B 321 -3.630 -13.544 1.264 1.00 0.00 O ATOM 711 CB GLN B 321 -2.093 -15.220 2.716 1.00 0.00 C ATOM 712 CG GLN B 321 -1.343 -16.212 3.586 1.00 0.00 C ATOM 713 CD GLN B 321 -2.210 -16.809 4.679 1.00 0.00 C ATOM 714 OE1 GLN B 321 -2.728 -16.093 5.538 1.00 0.00 O ATOM 715 NE2 GLN B 321 -2.376 -18.128 4.655 1.00 0.00 N ATOM 0 H GLN B 321 -2.281 -16.327 0.238 1.00 0.00 H new ATOM 0 HA GLN B 321 -3.923 -16.360 2.695 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.405 -14.809 1.977 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.427 -14.389 3.337 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -0.952 -17.014 2.960 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -0.486 -15.715 4.040 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -1.930 -18.685 3.926 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -2.950 -18.583 5.365 1.00 0.00 H new ATOM 724 N PRO B 322 -5.381 -14.936 1.029 1.00 0.00 N ATOM 725 CA PRO B 322 -6.255 -13.909 0.467 1.00 0.00 C ATOM 726 C PRO B 322 -6.586 -12.835 1.502 1.00 0.00 C ATOM 727 O PRO B 322 -6.879 -11.697 1.147 1.00 0.00 O ATOM 728 CB PRO B 322 -7.511 -14.684 0.061 1.00 0.00 C ATOM 729 CG PRO B 322 -7.507 -15.899 0.926 1.00 0.00 C ATOM 730 CD PRO B 322 -6.062 -16.237 1.161 1.00 0.00 C ATOM 0 HA PRO B 322 -5.795 -13.379 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.411 -14.089 0.219 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.487 -14.951 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.021 -15.709 1.868 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.027 -16.725 0.441 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -5.907 -16.674 2.148 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.694 -16.959 0.432 1.00 0.00 H new ATOM 738 N ASP B 323 -6.514 -13.207 2.787 1.00 0.00 N ATOM 739 CA ASP B 323 -6.784 -12.279 3.879 1.00 0.00 C ATOM 740 C ASP B 323 -5.694 -11.218 3.967 1.00 0.00 C ATOM 741 O ASP B 323 -5.975 -10.056 4.248 1.00 0.00 O ATOM 742 CB ASP B 323 -6.895 -13.028 5.214 1.00 0.00 C ATOM 743 CG ASP B 323 -8.058 -14.005 5.246 1.00 0.00 C ATOM 744 OD1 ASP B 323 -8.049 -14.970 4.454 1.00 0.00 O ATOM 745 OD2 ASP B 323 -8.979 -13.801 6.065 1.00 0.00 O ATOM 0 H ASP B 323 -6.269 -14.150 3.090 1.00 0.00 H new ATOM 0 HA ASP B 323 -7.735 -11.787 3.674 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -5.967 -13.569 5.400 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.011 -12.306 6.022 1.00 0.00 H new ATOM 750 N ILE B 324 -4.447 -11.631 3.725 1.00 0.00 N ATOM 751 CA ILE B 324 -3.308 -10.720 3.777 1.00 0.00 C ATOM 752 C ILE B 324 -3.353 -9.715 2.642 1.00 0.00 C ATOM 753 O ILE B 324 -3.254 -8.511 2.863 1.00 0.00 O ATOM 754 CB ILE B 324 -1.980 -11.469 3.679 1.00 0.00 C ATOM 755 CG1 ILE B 324 -1.881 -12.514 4.786 1.00 0.00 C ATOM 756 CG2 ILE B 324 -0.822 -10.478 3.740 1.00 0.00 C ATOM 757 CD1 ILE B 324 -0.598 -13.291 4.733 1.00 0.00 C ATOM 0 H ILE B 324 -4.204 -12.593 3.491 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.375 -10.208 4.737 1.00 0.00 H new ATOM 0 HB ILE B 324 -1.928 -11.992 2.724 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -1.963 -12.021 5.755 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -2.722 -13.203 4.707 1.00 0.00 H new ATOM 0 HG21 ILE B 324 0.123 -11.017 3.670 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -0.901 -9.775 2.911 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -0.859 -9.933 4.683 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -0.581 -14.020 5.543 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -0.526 -13.809 3.777 1.00 0.00 H new ATOM 0 HD13 ILE B 324 0.245 -12.609 4.841 1.00 0.00 H new ATOM 769 N TYR B 325 -3.474 -10.229 1.423 1.00 0.00 N ATOM 770 CA TYR B 325 -3.503 -9.377 0.239 1.00 0.00 C ATOM 771 C TYR B 325 -4.685 -8.411 0.299 1.00 0.00 C ATOM 772 O TYR B 325 -4.515 -7.208 0.093 1.00 0.00 O ATOM 773 CB TYR B 325 -3.586 -10.229 -1.030 1.00 0.00 C ATOM 774 CG TYR B 325 -3.035 -9.532 -2.255 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.727 -9.055 -2.274 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.815 -9.353 -3.391 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.217 -8.420 -3.395 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.313 -8.720 -4.510 1.00 0.00 C ATOM 779 CZ TYR B 325 -2.016 -8.258 -4.508 1.00 0.00 C ATOM 780 OH TYR B 325 -1.515 -7.631 -5.626 1.00 0.00 O ATOM 0 H TYR B 325 -3.553 -11.227 1.229 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.581 -8.797 0.214 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.039 -11.158 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.626 -10.499 -1.211 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.101 -9.182 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.832 -9.716 -3.398 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.201 -8.054 -3.397 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.935 -8.588 -5.383 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.076 -7.845 -6.400 1.00 0.00 H new ATOM 790 N LYS B 326 -5.873 -8.933 0.614 1.00 0.00 N ATOM 791 CA LYS B 326 -7.065 -8.111 0.737 1.00 0.00 C ATOM 792 C LYS B 326 -6.888 -7.088 1.863 1.00 0.00 C ATOM 793 O LYS B 326 -7.131 -5.897 1.671 1.00 0.00 O ATOM 794 CB LYS B 326 -8.280 -9.011 0.981 1.00 0.00 C ATOM 795 CG LYS B 326 -9.301 -8.430 1.931 1.00 0.00 C ATOM 796 CD LYS B 326 -10.486 -9.364 2.122 1.00 0.00 C ATOM 797 CE LYS B 326 -10.055 -10.696 2.722 1.00 0.00 C ATOM 798 NZ LYS B 326 -11.197 -11.644 2.857 1.00 0.00 N ATOM 0 H LYS B 326 -6.028 -9.926 0.788 1.00 0.00 H new ATOM 0 HA LYS B 326 -7.228 -7.557 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.764 -9.216 0.026 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -7.936 -9.967 1.375 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.832 -8.235 2.895 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.651 -7.472 1.548 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -11.222 -8.892 2.773 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -10.973 -9.537 1.162 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -9.285 -11.144 2.094 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -9.608 -10.525 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -10.860 -12.537 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -11.922 -11.229 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -11.608 -11.829 1.920 1.00 0.00 H new ATOM 812 N ALA B 327 -6.448 -7.568 3.031 1.00 0.00 N ATOM 813 CA ALA B 327 -6.219 -6.704 4.190 1.00 0.00 C ATOM 814 C ALA B 327 -5.208 -5.610 3.863 1.00 0.00 C ATOM 815 O ALA B 327 -5.449 -4.439 4.138 1.00 0.00 O ATOM 816 CB ALA B 327 -5.746 -7.519 5.385 1.00 0.00 C ATOM 0 H ALA B 327 -6.243 -8.553 3.197 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.167 -6.230 4.446 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.582 -6.857 6.235 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.503 -8.260 5.643 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.814 -8.025 5.134 1.00 0.00 H new ATOM 822 N PHE B 328 -4.081 -6.005 3.263 1.00 0.00 N ATOM 823 CA PHE B 328 -3.027 -5.064 2.887 1.00 0.00 C ATOM 824 C PHE B 328 -3.609 -3.913 2.079 1.00 0.00 C ATOM 825 O PHE B 328 -3.373 -2.747 2.392 1.00 0.00 O ATOM 826 CB PHE B 328 -1.942 -5.791 2.078 1.00 0.00 C ATOM 827 CG PHE B 328 -0.760 -4.935 1.701 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.881 -3.920 0.764 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.475 -5.155 2.283 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.209 -3.144 0.418 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.568 -4.383 1.943 1.00 0.00 C ATOM 832 CZ PHE B 328 1.435 -3.376 1.009 1.00 0.00 C ATOM 0 H PHE B 328 -3.877 -6.976 3.027 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.578 -4.656 3.792 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.586 -6.644 2.656 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.391 -6.188 1.168 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.838 -3.734 0.299 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.586 -5.942 3.014 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.102 -2.357 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.526 -4.567 2.407 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.288 -2.771 0.741 1.00 0.00 H new ATOM 842 N LEU B 329 -4.388 -4.244 1.049 1.00 0.00 N ATOM 843 CA LEU B 329 -5.018 -3.228 0.216 1.00 0.00 C ATOM 844 C LEU B 329 -5.945 -2.351 1.057 1.00 0.00 C ATOM 845 O LEU B 329 -5.846 -1.126 1.018 1.00 0.00 O ATOM 846 CB LEU B 329 -5.789 -3.870 -0.942 1.00 0.00 C ATOM 847 CG LEU B 329 -4.937 -4.706 -1.904 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.797 -5.266 -3.028 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.788 -3.879 -2.470 1.00 0.00 C ATOM 0 H LEU B 329 -4.595 -5.204 0.775 1.00 0.00 H new ATOM 0 HA LEU B 329 -4.234 -2.600 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.572 -4.505 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -6.284 -3.082 -1.510 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.512 -5.540 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -5.176 -5.857 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.579 -5.898 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -6.253 -4.445 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -3.198 -4.494 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -4.189 -3.022 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -3.155 -3.530 -1.654 1.00 0.00 H new ATOM 861 N GLU B 330 -6.830 -2.988 1.833 1.00 0.00 N ATOM 862 CA GLU B 330 -7.759 -2.262 2.707 1.00 0.00 C ATOM 863 C GLU B 330 -6.995 -1.340 3.655 1.00 0.00 C ATOM 864 O GLU B 330 -7.436 -0.226 3.942 1.00 0.00 O ATOM 865 CB GLU B 330 -8.617 -3.243 3.512 1.00 0.00 C ATOM 866 CG GLU B 330 -9.544 -4.094 2.656 1.00 0.00 C ATOM 867 CD GLU B 330 -10.275 -5.152 3.459 1.00 0.00 C ATOM 868 OE1 GLU B 330 -9.600 -6.033 4.037 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.522 -5.102 3.512 1.00 0.00 O ATOM 0 H GLU B 330 -6.922 -4.003 1.874 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.412 -1.656 2.079 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -7.962 -3.900 4.084 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.214 -2.683 4.232 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -10.272 -3.449 2.165 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -8.964 -4.577 1.869 1.00 0.00 H new ATOM 876 N ILE B 331 -5.832 -1.809 4.115 1.00 0.00 N ATOM 877 CA ILE B 331 -4.976 -1.031 5.005 1.00 0.00 C ATOM 878 C ILE B 331 -4.590 0.283 4.328 1.00 0.00 C ATOM 879 O ILE B 331 -4.788 1.364 4.884 1.00 0.00 O ATOM 880 CB ILE B 331 -3.715 -1.836 5.384 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.100 -2.987 6.314 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.665 -0.949 6.033 1.00 0.00 C ATOM 883 CD1 ILE B 331 -3.020 -4.032 6.461 1.00 0.00 C ATOM 0 H ILE B 331 -5.463 -2.731 3.882 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.524 -0.810 5.921 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.278 -2.243 4.472 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.340 -2.584 7.298 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -5.005 -3.462 5.935 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.790 -1.547 6.287 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.376 -0.160 5.339 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.075 -0.503 6.939 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.363 -4.817 7.135 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.796 -4.463 5.485 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.121 -3.571 6.869 1.00 0.00 H new ATOM 895 N LEU B 332 -4.072 0.170 3.102 1.00 0.00 N ATOM 896 CA LEU B 332 -3.689 1.335 2.306 1.00 0.00 C ATOM 897 C LEU B 332 -4.917 2.183 1.998 1.00 0.00 C ATOM 898 O LEU B 332 -4.916 3.399 2.178 1.00 0.00 O ATOM 899 CB LEU B 332 -3.058 0.903 0.983 1.00 0.00 C ATOM 900 CG LEU B 332 -2.029 -0.221 1.065 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.427 -0.478 -0.305 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.956 0.110 2.089 1.00 0.00 C ATOM 0 H LEU B 332 -3.908 -0.724 2.638 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.967 1.912 2.883 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.855 0.590 0.309 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.581 1.772 0.530 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.527 -1.134 1.393 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.694 -1.282 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.215 -0.765 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.939 0.428 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU B 332 -0.232 -0.703 2.133 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.450 1.031 1.801 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -1.416 0.240 3.069 1.00 0.00 H new ATOM 914 N HIS B 333 -5.954 1.511 1.506 1.00 0.00 N ATOM 915 CA HIS B 333 -7.210 2.167 1.132 1.00 0.00 C ATOM 916 C HIS B 333 -7.742 3.065 2.250 1.00 0.00 C ATOM 917 O HIS B 333 -8.134 4.201 1.990 1.00 0.00 O ATOM 918 CB HIS B 333 -8.265 1.130 0.742 1.00 0.00 C ATOM 919 CG HIS B 333 -8.029 0.520 -0.604 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.934 1.264 -1.763 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.866 -0.769 -0.975 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.723 0.456 -2.786 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.677 -0.783 -2.336 1.00 0.00 N ATOM 0 H HIS B 333 -5.951 0.502 1.355 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.998 2.801 0.271 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.282 0.340 1.493 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.248 1.601 0.752 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.881 -1.629 -0.322 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.608 0.758 -3.816 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.526 -1.616 -2.905 1.00 0.00 H new ATOM 932 N THR B 334 -7.735 2.572 3.492 1.00 0.00 N ATOM 933 CA THR B 334 -8.209 3.373 4.624 1.00 0.00 C ATOM 934 C THR B 334 -7.360 4.636 4.758 1.00 0.00 C ATOM 935 O THR B 334 -7.880 5.715 5.044 1.00 0.00 O ATOM 936 CB THR B 334 -8.162 2.565 5.928 1.00 0.00 C ATOM 937 OG1 THR B 334 -8.982 1.415 5.834 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.615 3.353 7.147 1.00 0.00 C ATOM 0 H THR B 334 -7.411 1.636 3.737 1.00 0.00 H new ATOM 0 HA THR B 334 -9.245 3.654 4.436 1.00 0.00 H new ATOM 0 HB THR B 334 -7.114 2.297 6.060 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.582 0.778 5.206 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.556 2.720 8.032 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.970 4.222 7.279 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.644 3.683 7.005 1.00 0.00 H new ATOM 946 N TYR B 335 -6.054 4.491 4.530 1.00 0.00 N ATOM 947 CA TYR B 335 -5.122 5.611 4.602 1.00 0.00 C ATOM 948 C TYR B 335 -5.523 6.715 3.618 1.00 0.00 C ATOM 949 O TYR B 335 -5.862 7.820 4.035 1.00 0.00 O ATOM 950 CB TYR B 335 -3.706 5.108 4.302 1.00 0.00 C ATOM 951 CG TYR B 335 -2.620 6.161 4.362 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.193 6.695 5.570 1.00 0.00 C ATOM 953 CD2 TYR B 335 -2.008 6.601 3.199 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.182 7.642 5.610 1.00 0.00 C ATOM 955 CE2 TYR B 335 -1.005 7.541 3.226 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.593 8.060 4.433 1.00 0.00 C ATOM 957 OH TYR B 335 0.411 9.001 4.459 1.00 0.00 O ATOM 0 H TYR B 335 -5.618 3.600 4.292 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.149 6.036 5.606 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.461 4.317 5.010 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.700 4.660 3.309 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -2.654 6.368 6.490 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -2.326 6.196 2.250 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -0.857 8.050 6.555 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -0.543 7.870 2.307 1.00 0.00 H new ATOM 0 HH TYR B 335 0.354 9.517 5.290 1.00 0.00 H new ATOM 967 N GLN B 336 -5.496 6.406 2.312 1.00 0.00 N ATOM 968 CA GLN B 336 -5.861 7.383 1.276 1.00 0.00 C ATOM 969 C GLN B 336 -7.244 7.993 1.505 1.00 0.00 C ATOM 970 O GLN B 336 -7.428 9.195 1.317 1.00 0.00 O ATOM 971 CB GLN B 336 -5.817 6.757 -0.123 1.00 0.00 C ATOM 972 CG GLN B 336 -4.415 6.522 -0.665 1.00 0.00 C ATOM 973 CD GLN B 336 -3.566 7.782 -0.692 1.00 0.00 C ATOM 974 OE1 GLN B 336 -3.213 8.332 0.353 1.00 0.00 O ATOM 975 NE2 GLN B 336 -3.236 8.253 -1.889 1.00 0.00 N ATOM 0 H GLN B 336 -5.226 5.491 1.950 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.120 8.179 1.344 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.348 5.805 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.356 7.405 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -3.917 5.769 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.486 6.117 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -3.548 7.769 -2.731 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -2.671 9.099 -1.966 1.00 0.00 H new ATOM 984 N LYS B 337 -8.214 7.166 1.898 1.00 0.00 N ATOM 985 CA LYS B 337 -9.578 7.645 2.132 1.00 0.00 C ATOM 986 C LYS B 337 -9.609 8.740 3.196 1.00 0.00 C ATOM 987 O LYS B 337 -10.194 9.798 2.985 1.00 0.00 O ATOM 988 CB LYS B 337 -10.497 6.496 2.558 1.00 0.00 C ATOM 989 CG LYS B 337 -10.806 5.505 1.448 1.00 0.00 C ATOM 990 CD LYS B 337 -11.765 4.418 1.919 1.00 0.00 C ATOM 991 CE LYS B 337 -11.180 3.611 3.071 1.00 0.00 C ATOM 992 NZ LYS B 337 -12.132 2.583 3.578 1.00 0.00 N ATOM 0 H LYS B 337 -8.083 6.168 2.060 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.937 8.061 1.191 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.033 5.963 3.388 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.433 6.912 2.930 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.241 6.032 0.599 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -9.880 5.048 1.099 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -12.704 4.873 2.233 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -11.996 3.751 1.088 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.263 3.123 2.742 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.909 4.285 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.692 2.058 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -12.998 3.049 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.372 1.923 2.811 1.00 0.00 H new ATOM 1006 N GLU B 338 -8.981 8.470 4.336 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.940 9.420 5.447 1.00 0.00 C ATOM 1008 C GLU B 338 -8.164 10.691 5.088 1.00 0.00 C ATOM 1009 O GLU B 338 -8.631 11.796 5.366 1.00 0.00 O ATOM 1010 CB GLU B 338 -8.333 8.738 6.675 1.00 0.00 C ATOM 1011 CG GLU B 338 -9.105 7.495 7.105 1.00 0.00 C ATOM 1012 CD GLU B 338 -10.449 7.804 7.749 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -10.794 8.999 7.892 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -11.160 6.845 8.115 1.00 0.00 O ATOM 0 H GLU B 338 -8.489 7.595 4.517 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.961 9.730 5.670 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.301 8.462 6.458 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -8.306 9.447 7.502 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -9.266 6.859 6.235 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -8.497 6.925 7.808 1.00 0.00 H new ATOM 1220 N LEU B 353 -7.204 7.216 10.072 1.00 0.00 N ATOM 1221 CA LEU B 353 -5.950 6.504 9.845 1.00 0.00 C ATOM 1222 C LEU B 353 -4.813 7.454 9.522 1.00 0.00 C ATOM 1223 O LEU B 353 -5.020 8.626 9.196 1.00 0.00 O ATOM 1224 CB LEU B 353 -6.046 5.503 8.690 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.941 4.036 9.081 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.183 3.567 9.829 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.661 3.173 7.858 1.00 0.00 C ATOM 0 HA LEU B 353 -5.753 5.975 10.777 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -6.996 5.657 8.178 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -5.257 5.727 7.972 1.00 0.00 H new ATOM 0 HG LEU B 353 -5.099 3.928 9.765 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.073 2.515 10.093 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.306 4.158 10.737 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -8.060 3.692 9.193 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.590 2.128 8.159 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.471 3.289 7.138 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.722 3.484 7.401 1.00 0.00 H new ATOM 1239 N THR B 354 -3.616 6.901 9.577 1.00 0.00 N ATOM 1240 CA THR B 354 -2.391 7.614 9.259 1.00 0.00 C ATOM 1241 C THR B 354 -1.351 6.599 8.813 1.00 0.00 C ATOM 1242 O THR B 354 -1.622 5.394 8.816 1.00 0.00 O ATOM 1243 CB THR B 354 -1.880 8.404 10.474 1.00 0.00 C ATOM 1244 OG1 THR B 354 -1.662 7.547 11.584 1.00 0.00 O ATOM 1245 CG2 THR B 354 -2.817 9.508 10.919 1.00 0.00 C ATOM 0 H THR B 354 -3.464 5.929 9.848 1.00 0.00 H new ATOM 0 HA THR B 354 -2.584 8.332 8.462 1.00 0.00 H new ATOM 0 HB THR B 354 -0.947 8.859 10.140 1.00 0.00 H new ATOM 0 HG1 THR B 354 -1.336 8.073 12.344 1.00 0.00 H new ATOM 0 HG21 THR B 354 -2.391 10.022 11.781 1.00 0.00 H new ATOM 0 HG22 THR B 354 -2.955 10.219 10.104 1.00 0.00 H new ATOM 0 HG23 THR B 354 -3.781 9.079 11.193 1.00 0.00 H new ATOM 1253 N GLU B 355 -0.157 7.060 8.466 1.00 0.00 N ATOM 1254 CA GLU B 355 0.906 6.142 8.070 1.00 0.00 C ATOM 1255 C GLU B 355 1.117 5.109 9.185 1.00 0.00 C ATOM 1256 O GLU B 355 1.576 3.993 8.940 1.00 0.00 O ATOM 1257 CB GLU B 355 2.211 6.897 7.802 1.00 0.00 C ATOM 1258 CG GLU B 355 2.094 8.011 6.774 1.00 0.00 C ATOM 1259 CD GLU B 355 1.702 9.343 7.394 1.00 0.00 C ATOM 1260 OE1 GLU B 355 2.501 9.882 8.191 1.00 0.00 O ATOM 1261 OE2 GLU B 355 0.599 9.843 7.092 1.00 0.00 O ATOM 0 H GLU B 355 0.099 8.047 8.450 1.00 0.00 H new ATOM 0 HA GLU B 355 0.613 5.639 7.148 1.00 0.00 H new ATOM 0 HB2 GLU B 355 2.570 7.321 8.740 1.00 0.00 H new ATOM 0 HB3 GLU B 355 2.965 6.186 7.465 1.00 0.00 H new ATOM 0 HG2 GLU B 355 3.046 8.123 6.255 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.353 7.732 6.024 1.00 0.00 H new ATOM 1268 N GLN B 356 0.755 5.506 10.417 1.00 0.00 N ATOM 1269 CA GLN B 356 0.870 4.654 11.595 1.00 0.00 C ATOM 1270 C GLN B 356 -0.011 3.412 11.482 1.00 0.00 C ATOM 1271 O GLN B 356 0.445 2.311 11.782 1.00 0.00 O ATOM 1272 CB GLN B 356 0.501 5.436 12.858 1.00 0.00 C ATOM 1273 CG GLN B 356 1.404 6.635 13.122 1.00 0.00 C ATOM 1274 CD GLN B 356 1.024 7.433 14.367 1.00 0.00 C ATOM 1275 OE1 GLN B 356 -0.032 7.024 15.071 1.00 0.00 O flip ATOM 1276 NE2 GLN B 356 1.683 8.421 14.694 1.00 0.00 N flip ATOM 0 H GLN B 356 0.374 6.431 10.616 1.00 0.00 H new ATOM 0 HA GLN B 356 1.908 4.328 11.661 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.530 5.780 12.773 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.543 4.765 13.716 1.00 0.00 H new ATOM 0 HG2 GLN B 356 2.432 6.288 13.225 1.00 0.00 H new ATOM 0 HG3 GLN B 356 1.376 7.296 12.256 1.00 0.00 H new ATOM 0 HE21 GLN B 356 2.486 8.707 14.133 1.00 0.00 H new ATOM 0 HE22 GLN B 356 1.426 8.953 15.526 1.00 0.00 H new ATOM 1285 N GLU B 357 -1.269 3.579 11.043 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.169 2.436 10.902 1.00 0.00 C ATOM 1287 C GLU B 357 -1.739 1.564 9.734 1.00 0.00 C ATOM 1288 O GLU B 357 -1.848 0.342 9.781 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.598 2.897 10.640 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.228 3.753 11.731 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.287 3.060 13.082 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -3.215 2.801 13.669 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.409 2.776 13.552 1.00 0.00 O ATOM 0 H GLU B 357 -1.675 4.479 10.785 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.126 1.872 11.834 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.613 3.461 9.708 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.222 2.016 10.489 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.660 4.678 11.830 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -5.238 4.029 11.428 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.266 2.217 8.678 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.831 1.526 7.473 1.00 0.00 C ATOM 1302 C VAL B 358 0.325 0.582 7.776 1.00 0.00 C ATOM 1303 O VAL B 358 0.206 -0.632 7.605 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.404 2.551 6.410 1.00 0.00 C ATOM 1305 CG1 VAL B 358 -0.079 1.882 5.086 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.490 3.598 6.242 1.00 0.00 C ATOM 0 H VAL B 358 -1.174 3.232 8.634 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.666 0.936 7.094 1.00 0.00 H new ATOM 0 HB VAL B 358 0.509 3.040 6.751 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.219 2.638 4.360 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.737 1.173 5.227 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -0.959 1.354 4.720 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.183 4.323 5.488 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.415 3.115 5.927 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.653 4.109 7.191 1.00 0.00 H new ATOM 1316 N TYR B 359 1.429 1.147 8.254 1.00 0.00 N ATOM 1317 CA TYR B 359 2.598 0.360 8.617 1.00 0.00 C ATOM 1318 C TYR B 359 2.255 -0.648 9.715 1.00 0.00 C ATOM 1319 O TYR B 359 2.713 -1.790 9.685 1.00 0.00 O ATOM 1320 CB TYR B 359 3.732 1.272 9.091 1.00 0.00 C ATOM 1321 CG TYR B 359 5.008 0.525 9.410 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.766 -0.055 8.400 1.00 0.00 C ATOM 1323 CD2 TYR B 359 5.444 0.388 10.721 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.925 -0.749 8.688 1.00 0.00 C ATOM 1325 CE2 TYR B 359 6.603 -0.303 11.017 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.340 -0.870 9.997 1.00 0.00 C ATOM 1327 OH TYR B 359 8.494 -1.561 10.289 1.00 0.00 O ATOM 0 H TYR B 359 1.537 2.151 8.399 1.00 0.00 H new ATOM 0 HA TYR B 359 2.924 -0.184 7.731 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.937 2.015 8.320 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.406 1.815 9.978 1.00 0.00 H new ATOM 0 HD1 TYR B 359 5.444 0.038 7.373 1.00 0.00 H new ATOM 0 HD2 TYR B 359 4.868 0.828 11.522 1.00 0.00 H new ATOM 0 HE1 TYR B 359 7.503 -1.194 7.892 1.00 0.00 H new ATOM 0 HE2 TYR B 359 6.931 -0.399 12.042 1.00 0.00 H new ATOM 0 HH TYR B 359 8.645 -1.552 11.257 1.00 0.00 H new ATOM 1337 N ALA B 360 1.462 -0.199 10.693 1.00 0.00 N ATOM 1338 CA ALA B 360 1.066 -1.041 11.829 1.00 0.00 C ATOM 1339 C ALA B 360 0.250 -2.261 11.408 1.00 0.00 C ATOM 1340 O ALA B 360 0.553 -3.384 11.815 1.00 0.00 O ATOM 1341 CB ALA B 360 0.295 -0.225 12.855 1.00 0.00 C ATOM 0 H ALA B 360 1.080 0.746 10.722 1.00 0.00 H new ATOM 0 HA ALA B 360 1.988 -1.412 12.277 1.00 0.00 H new ATOM 0 HB1 ALA B 360 0.010 -0.866 13.690 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.923 0.588 13.220 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.601 0.188 12.392 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.792 -2.035 10.610 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.662 -3.120 10.156 1.00 0.00 C ATOM 1349 C GLN B 361 -0.907 -4.091 9.252 1.00 0.00 C ATOM 1350 O GLN B 361 -1.019 -5.305 9.418 1.00 0.00 O ATOM 1351 CB GLN B 361 -2.882 -2.560 9.422 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.830 -1.777 10.318 1.00 0.00 C ATOM 1353 CD GLN B 361 -4.957 -1.117 9.544 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -4.720 -0.259 8.692 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -6.193 -1.515 9.832 1.00 0.00 N ATOM 0 H GLN B 361 -1.055 -1.112 10.264 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.000 -3.666 11.037 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.543 -1.912 8.614 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.428 -3.384 8.963 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.253 -2.447 11.066 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.268 -1.013 10.855 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -6.346 -2.229 10.545 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -6.988 -1.107 9.340 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.127 -3.558 8.312 1.00 0.00 N ATOM 1365 CA VAL B 362 0.651 -4.392 7.396 1.00 0.00 C ATOM 1366 C VAL B 362 1.709 -5.188 8.160 1.00 0.00 C ATOM 1367 O VAL B 362 1.946 -6.358 7.859 1.00 0.00 O ATOM 1368 CB VAL B 362 1.339 -3.543 6.305 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.208 -4.408 5.401 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.306 -2.782 5.484 1.00 0.00 C ATOM 0 H VAL B 362 -0.017 -2.555 8.165 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.044 -5.080 6.915 1.00 0.00 H new ATOM 0 HB VAL B 362 1.986 -2.821 6.803 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.679 -3.783 4.643 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.978 -4.898 5.997 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.589 -5.163 4.916 1.00 0.00 H new ATOM 0 HG21 VAL B 362 0.812 -2.190 4.721 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.371 -3.489 5.005 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.263 -2.121 6.138 1.00 0.00 H new ATOM 1380 N ALA B 363 2.328 -4.557 9.165 1.00 0.00 N ATOM 1381 CA ALA B 363 3.337 -5.227 9.983 1.00 0.00 C ATOM 1382 C ALA B 363 2.773 -6.514 10.581 1.00 0.00 C ATOM 1383 O ALA B 363 3.468 -7.527 10.667 1.00 0.00 O ATOM 1384 CB ALA B 363 3.839 -4.305 11.087 1.00 0.00 C ATOM 0 H ALA B 363 2.147 -3.588 9.428 1.00 0.00 H new ATOM 0 HA ALA B 363 4.180 -5.482 9.341 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.589 -4.825 11.683 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.283 -3.414 10.643 1.00 0.00 H new ATOM 0 HB3 ALA B 363 3.005 -4.015 11.726 1.00 0.00 H new ATOM 1390 N ARG B 364 1.495 -6.463 10.977 1.00 0.00 N ATOM 1391 CA ARG B 364 0.812 -7.622 11.555 1.00 0.00 C ATOM 1392 C ARG B 364 0.541 -8.682 10.485 1.00 0.00 C ATOM 1393 O ARG B 364 0.591 -9.876 10.759 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.501 -7.196 12.218 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.310 -6.213 13.362 1.00 0.00 C ATOM 1396 CD ARG B 364 -1.637 -5.816 13.989 1.00 0.00 C ATOM 1397 NE ARG B 364 -1.463 -4.857 15.080 1.00 0.00 N ATOM 1398 CZ ARG B 364 -2.466 -4.370 15.816 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -3.721 -4.753 15.587 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -2.213 -3.499 16.787 1.00 0.00 N ATOM 0 H ARG B 364 0.914 -5.628 10.906 1.00 0.00 H new ATOM 0 HA ARG B 364 1.464 -8.055 12.314 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.149 -6.745 11.466 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.014 -8.082 12.592 1.00 0.00 H new ATOM 0 HG2 ARG B 364 0.333 -6.659 14.121 1.00 0.00 H new ATOM 0 HG3 ARG B 364 0.200 -5.322 12.995 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.283 -5.383 13.226 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -2.141 -6.706 14.366 1.00 0.00 H new ATOM 0 HE ARG B 364 -0.517 -4.540 15.292 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -3.922 -5.423 14.845 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -4.481 -4.376 16.154 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -1.254 -3.203 16.970 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -2.978 -3.126 17.350 1.00 0.00 H new ATOM 1414 N LEU B 365 0.265 -8.231 9.262 1.00 0.00 N ATOM 1415 CA LEU B 365 0.009 -9.136 8.142 1.00 0.00 C ATOM 1416 C LEU B 365 1.254 -9.956 7.794 1.00 0.00 C ATOM 1417 O LEU B 365 1.174 -11.163 7.555 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.420 -8.339 6.899 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.908 -7.992 6.789 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -2.391 -7.204 7.996 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.164 -7.214 5.507 1.00 0.00 C ATOM 0 H LEU B 365 0.213 -7.241 9.021 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.789 -9.813 8.446 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.149 -7.410 6.876 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.136 -8.908 6.014 1.00 0.00 H new ATOM 0 HG LEU B 365 -2.472 -8.925 6.762 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -3.451 -6.976 7.882 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -2.242 -7.795 8.900 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -1.827 -6.275 8.073 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.224 -6.970 5.435 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -1.580 -6.294 5.517 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -1.872 -7.820 4.649 1.00 0.00 H new ATOM 1433 N PHE B 366 2.391 -9.265 7.715 1.00 0.00 N ATOM 1434 CA PHE B 366 3.666 -9.868 7.336 1.00 0.00 C ATOM 1435 C PHE B 366 4.467 -10.415 8.530 1.00 0.00 C ATOM 1436 O PHE B 366 5.681 -10.212 8.605 1.00 0.00 O ATOM 1437 CB PHE B 366 4.488 -8.817 6.596 1.00 0.00 C ATOM 1438 CG PHE B 366 3.869 -8.363 5.300 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.540 -7.969 5.239 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.620 -8.327 4.145 1.00 0.00 C ATOM 1441 CE1 PHE B 366 1.978 -7.559 4.052 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.062 -7.913 2.953 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.739 -7.529 2.907 1.00 0.00 C ATOM 0 H PHE B 366 2.452 -8.266 7.913 1.00 0.00 H new ATOM 0 HA PHE B 366 3.451 -10.728 6.701 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.624 -7.952 7.245 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.479 -9.222 6.392 1.00 0.00 H new ATOM 0 HD1 PHE B 366 1.938 -7.984 6.136 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.657 -8.626 4.173 1.00 0.00 H new ATOM 0 HE1 PHE B 366 0.940 -7.261 4.020 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.662 -7.890 2.055 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.301 -7.205 1.974 1.00 0.00 H new ATOM 1453 N LYS B 367 3.801 -11.117 9.451 1.00 0.00 N ATOM 1454 CA LYS B 367 4.485 -11.691 10.617 1.00 0.00 C ATOM 1455 C LYS B 367 5.709 -12.521 10.213 1.00 0.00 C ATOM 1456 O LYS B 367 6.836 -12.193 10.586 1.00 0.00 O ATOM 1457 CB LYS B 367 3.535 -12.558 11.454 1.00 0.00 C ATOM 1458 CG LYS B 367 2.401 -11.796 12.126 1.00 0.00 C ATOM 1459 CD LYS B 367 2.867 -10.961 13.318 1.00 0.00 C ATOM 1460 CE LYS B 367 3.643 -9.722 12.890 1.00 0.00 C ATOM 1461 NZ LYS B 367 3.845 -8.771 14.017 1.00 0.00 N ATOM 0 H LYS B 367 2.798 -11.301 9.415 1.00 0.00 H new ATOM 0 HA LYS B 367 4.822 -10.848 11.220 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.107 -13.327 10.811 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.115 -13.071 12.222 1.00 0.00 H new ATOM 0 HG2 LYS B 367 1.927 -11.142 11.394 1.00 0.00 H new ATOM 0 HG3 LYS B 367 1.642 -12.504 12.460 1.00 0.00 H new ATOM 0 HD2 LYS B 367 2.001 -10.659 13.907 1.00 0.00 H new ATOM 0 HD3 LYS B 367 3.495 -11.574 13.965 1.00 0.00 H new ATOM 0 HE2 LYS B 367 4.612 -10.022 12.491 1.00 0.00 H new ATOM 0 HE3 LYS B 367 3.108 -9.220 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 4.377 -7.943 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 2.921 -8.464 14.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 4.378 -9.241 14.776 1.00 0.00 H new ATOM 1475 N ASN B 368 5.474 -13.609 9.470 1.00 0.00 N ATOM 1476 CA ASN B 368 6.556 -14.504 9.044 1.00 0.00 C ATOM 1477 C ASN B 368 7.255 -14.045 7.750 1.00 0.00 C ATOM 1478 O ASN B 368 7.942 -14.840 7.103 1.00 0.00 O ATOM 1479 CB ASN B 368 6.029 -15.939 8.888 1.00 0.00 C ATOM 1480 CG ASN B 368 4.984 -16.079 7.794 1.00 0.00 C ATOM 1481 OD1 ASN B 368 5.285 -15.939 6.610 1.00 0.00 O ATOM 1482 ND2 ASN B 368 3.743 -16.353 8.186 1.00 0.00 N ATOM 0 H ASN B 368 4.547 -13.890 9.152 1.00 0.00 H new ATOM 0 HA ASN B 368 7.312 -14.473 9.829 1.00 0.00 H new ATOM 0 HB2 ASN B 368 6.865 -16.604 8.670 1.00 0.00 H new ATOM 0 HB3 ASN B 368 5.600 -16.266 9.835 1.00 0.00 H new ATOM 0 HD21 ASN B 368 3.000 -16.454 7.494 1.00 0.00 H new ATOM 0 HD22 ASN B 368 3.534 -16.462 9.178 1.00 0.00 H new ATOM 1489 N GLN B 369 7.107 -12.766 7.384 1.00 0.00 N ATOM 1490 CA GLN B 369 7.757 -12.235 6.182 1.00 0.00 C ATOM 1491 C GLN B 369 8.247 -10.802 6.402 1.00 0.00 C ATOM 1492 O GLN B 369 7.930 -9.895 5.628 1.00 0.00 O ATOM 1493 CB GLN B 369 6.831 -12.302 4.956 1.00 0.00 C ATOM 1494 CG GLN B 369 5.375 -11.979 5.245 1.00 0.00 C ATOM 1495 CD GLN B 369 4.550 -13.218 5.552 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.475 -14.141 4.741 1.00 0.00 O ATOM 1497 NE2 GLN B 369 3.919 -13.248 6.721 1.00 0.00 N ATOM 0 H GLN B 369 6.548 -12.086 7.898 1.00 0.00 H new ATOM 0 HA GLN B 369 8.622 -12.868 5.983 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.200 -11.609 4.200 1.00 0.00 H new ATOM 0 HB3 GLN B 369 6.889 -13.302 4.527 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.320 -11.292 6.090 1.00 0.00 H new ATOM 0 HG3 GLN B 369 4.944 -11.464 4.387 1.00 0.00 H new ATOM 0 HE21 GLN B 369 4.005 -12.464 7.367 1.00 0.00 H new ATOM 0 HE22 GLN B 369 3.348 -14.055 6.972 1.00 0.00 H new ATOM 1506 N GLU B 370 9.038 -10.614 7.464 1.00 0.00 N ATOM 1507 CA GLU B 370 9.606 -9.306 7.802 1.00 0.00 C ATOM 1508 C GLU B 370 10.325 -8.664 6.605 1.00 0.00 C ATOM 1509 O GLU B 370 10.443 -7.439 6.532 1.00 0.00 O ATOM 1510 CB GLU B 370 10.568 -9.433 8.986 1.00 0.00 C ATOM 1511 CG GLU B 370 9.896 -9.925 10.263 1.00 0.00 C ATOM 1512 CD GLU B 370 10.848 -10.056 11.443 1.00 0.00 C ATOM 1513 OE1 GLU B 370 12.056 -9.767 11.282 1.00 0.00 O ATOM 1514 OE2 GLU B 370 10.383 -10.451 12.533 1.00 0.00 O ATOM 0 H GLU B 370 9.301 -11.359 8.109 1.00 0.00 H new ATOM 0 HA GLU B 370 8.777 -8.654 8.078 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.372 -10.120 8.720 1.00 0.00 H new ATOM 0 HB3 GLU B 370 11.028 -8.463 9.177 1.00 0.00 H new ATOM 0 HG2 GLU B 370 9.094 -9.237 10.529 1.00 0.00 H new ATOM 0 HG3 GLU B 370 9.434 -10.894 10.070 1.00 0.00 H new ATOM 1521 N ASP B 371 10.795 -9.497 5.668 1.00 0.00 N ATOM 1522 CA ASP B 371 11.491 -9.012 4.476 1.00 0.00 C ATOM 1523 C ASP B 371 10.546 -8.186 3.612 1.00 0.00 C ATOM 1524 O ASP B 371 10.856 -7.052 3.253 1.00 0.00 O ATOM 1525 CB ASP B 371 12.029 -10.190 3.664 1.00 0.00 C ATOM 1526 CG ASP B 371 12.754 -9.753 2.402 1.00 0.00 C ATOM 1527 OD1 ASP B 371 13.776 -9.044 2.520 1.00 0.00 O ATOM 1528 OD2 ASP B 371 12.297 -10.117 1.299 1.00 0.00 O ATOM 0 H ASP B 371 10.704 -10.512 5.715 1.00 0.00 H new ATOM 0 HA ASP B 371 12.324 -8.385 4.793 1.00 0.00 H new ATOM 0 HB2 ASP B 371 12.709 -10.773 4.285 1.00 0.00 H new ATOM 0 HB3 ASP B 371 11.202 -10.847 3.394 1.00 0.00 H new ATOM 1533 N LEU B 372 9.380 -8.754 3.307 1.00 0.00 N ATOM 1534 CA LEU B 372 8.374 -8.057 2.515 1.00 0.00 C ATOM 1535 C LEU B 372 8.052 -6.696 3.140 1.00 0.00 C ATOM 1536 O LEU B 372 7.813 -5.720 2.432 1.00 0.00 O ATOM 1537 CB LEU B 372 7.094 -8.896 2.423 1.00 0.00 C ATOM 1538 CG LEU B 372 6.986 -9.861 1.236 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.731 -9.092 -0.048 1.00 0.00 C ATOM 1540 CD2 LEU B 372 8.232 -10.728 1.108 1.00 0.00 C ATOM 0 H LEU B 372 9.111 -9.694 3.597 1.00 0.00 H new ATOM 0 HA LEU B 372 8.773 -7.903 1.513 1.00 0.00 H new ATOM 0 HB2 LEU B 372 7.000 -9.475 3.342 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.243 -8.216 2.387 1.00 0.00 H new ATOM 0 HG LEU B 372 6.141 -10.525 1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.657 -9.790 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU B 372 5.799 -8.533 0.041 1.00 0.00 H new ATOM 0 HD13 LEU B 372 7.554 -8.400 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU B 372 8.122 -11.400 0.257 1.00 0.00 H new ATOM 0 HD22 LEU B 372 9.104 -10.092 0.957 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.363 -11.313 2.018 1.00 0.00 H new ATOM 1552 N LEU B 373 8.055 -6.645 4.477 1.00 0.00 N ATOM 1553 CA LEU B 373 7.763 -5.407 5.210 1.00 0.00 C ATOM 1554 C LEU B 373 8.843 -4.346 5.013 1.00 0.00 C ATOM 1555 O LEU B 373 8.526 -3.168 4.839 1.00 0.00 O ATOM 1556 CB LEU B 373 7.587 -5.690 6.704 1.00 0.00 C ATOM 1557 CG LEU B 373 6.216 -6.233 7.102 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.186 -6.572 8.585 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.130 -5.222 6.759 1.00 0.00 C ATOM 0 H LEU B 373 8.257 -7.447 5.074 1.00 0.00 H new ATOM 0 HA LEU B 373 6.832 -5.015 4.801 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.348 -6.405 7.015 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.770 -4.769 7.257 1.00 0.00 H new ATOM 0 HG LEU B 373 6.027 -7.148 6.541 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.202 -6.957 8.850 1.00 0.00 H new ATOM 0 HD12 LEU B 373 6.942 -7.327 8.801 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.393 -5.674 9.168 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.157 -5.621 7.047 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.315 -4.292 7.297 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.139 -5.028 5.686 1.00 0.00 H new ATOM 1571 N SER B 374 10.114 -4.758 5.052 1.00 0.00 N ATOM 1572 CA SER B 374 11.226 -3.820 4.882 1.00 0.00 C ATOM 1573 C SER B 374 11.014 -2.955 3.636 1.00 0.00 C ATOM 1574 O SER B 374 11.229 -1.743 3.667 1.00 0.00 O ATOM 1575 CB SER B 374 12.562 -4.571 4.787 1.00 0.00 C ATOM 1576 OG SER B 374 12.682 -5.267 3.560 1.00 0.00 O ATOM 0 H SER B 374 10.396 -5.727 5.199 1.00 0.00 H new ATOM 0 HA SER B 374 11.258 -3.170 5.756 1.00 0.00 H new ATOM 0 HB2 SER B 374 13.386 -3.864 4.887 1.00 0.00 H new ATOM 0 HB3 SER B 374 12.644 -5.275 5.615 1.00 0.00 H new ATOM 0 HG SER B 374 12.198 -6.117 3.618 1.00 0.00 H new ATOM 1582 N GLU B 375 10.577 -3.594 2.548 1.00 0.00 N ATOM 1583 CA GLU B 375 10.317 -2.901 1.288 1.00 0.00 C ATOM 1584 C GLU B 375 9.170 -1.892 1.432 1.00 0.00 C ATOM 1585 O GLU B 375 9.276 -0.760 0.966 1.00 0.00 O ATOM 1586 CB GLU B 375 9.992 -3.925 0.192 1.00 0.00 C ATOM 1587 CG GLU B 375 9.673 -3.318 -1.170 1.00 0.00 C ATOM 1588 CD GLU B 375 10.826 -2.524 -1.759 1.00 0.00 C ATOM 1589 OE1 GLU B 375 11.166 -1.460 -1.202 1.00 0.00 O ATOM 1590 OE2 GLU B 375 11.388 -2.969 -2.782 1.00 0.00 O ATOM 0 H GLU B 375 10.395 -4.597 2.517 1.00 0.00 H new ATOM 0 HA GLU B 375 11.213 -2.346 1.010 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.839 -4.603 0.084 1.00 0.00 H new ATOM 0 HB3 GLU B 375 9.142 -4.526 0.515 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.400 -4.116 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU B 375 8.804 -2.667 -1.075 1.00 0.00 H new ATOM 1597 N PHE B 376 8.075 -2.317 2.075 1.00 0.00 N ATOM 1598 CA PHE B 376 6.897 -1.462 2.277 1.00 0.00 C ATOM 1599 C PHE B 376 7.270 -0.101 2.868 1.00 0.00 C ATOM 1600 O PHE B 376 6.925 0.941 2.306 1.00 0.00 O ATOM 1601 CB PHE B 376 5.885 -2.156 3.196 1.00 0.00 C ATOM 1602 CG PHE B 376 4.563 -1.446 3.292 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.848 -1.126 2.148 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.030 -1.105 4.526 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.630 -0.481 2.232 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.813 -0.459 4.614 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.112 -0.147 3.467 1.00 0.00 C ATOM 0 H PHE B 376 7.980 -3.254 2.467 1.00 0.00 H new ATOM 0 HA PHE B 376 6.452 -1.294 1.296 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.716 -3.170 2.834 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.314 -2.241 4.194 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.249 -1.384 1.179 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.573 -1.347 5.428 1.00 0.00 H new ATOM 0 HE1 PHE B 376 2.083 -0.238 1.333 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.409 -0.198 5.581 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.160 0.358 3.536 1.00 0.00 H new ATOM 1617 N GLY B 377 7.959 -0.120 4.010 1.00 0.00 N ATOM 1618 CA GLY B 377 8.357 1.115 4.676 1.00 0.00 C ATOM 1619 C GLY B 377 9.183 2.053 3.803 1.00 0.00 C ATOM 1620 O GLY B 377 9.219 3.257 4.059 1.00 0.00 O ATOM 0 H GLY B 377 8.250 -0.973 4.488 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.462 1.640 5.010 1.00 0.00 H new ATOM 0 HA3 GLY B 377 8.932 0.866 5.568 1.00 0.00 H new ATOM 1624 N GLN B 378 9.857 1.512 2.785 1.00 0.00 N ATOM 1625 CA GLN B 378 10.690 2.324 1.893 1.00 0.00 C ATOM 1626 C GLN B 378 9.868 3.235 0.966 1.00 0.00 C ATOM 1627 O GLN B 378 10.436 4.109 0.308 1.00 0.00 O ATOM 1628 CB GLN B 378 11.611 1.432 1.058 1.00 0.00 C ATOM 1629 CG GLN B 378 12.596 0.621 1.892 1.00 0.00 C ATOM 1630 CD GLN B 378 13.555 -0.233 1.069 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.533 -0.090 -0.258 1.00 0.00 O flip ATOM 1632 NE2 GLN B 378 14.327 -1.012 1.628 1.00 0.00 N flip ATOM 0 H GLN B 378 9.843 0.518 2.558 1.00 0.00 H new ATOM 0 HA GLN B 378 11.286 2.972 2.536 1.00 0.00 H new ATOM 0 HB2 GLN B 378 11.002 0.750 0.465 1.00 0.00 H new ATOM 0 HB3 GLN B 378 12.167 2.054 0.357 1.00 0.00 H new ATOM 0 HG2 GLN B 378 13.176 1.303 2.514 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.037 -0.027 2.566 1.00 0.00 H new ATOM 0 HE21 GLN B 378 14.318 -1.097 2.644 1.00 0.00 H new ATOM 0 HE22 GLN B 378 14.976 -1.572 1.075 1.00 0.00 H new ATOM 1641 N PHE B 379 8.542 3.046 0.915 1.00 0.00 N ATOM 1642 CA PHE B 379 7.692 3.877 0.064 1.00 0.00 C ATOM 1643 C PHE B 379 7.063 4.999 0.878 1.00 0.00 C ATOM 1644 O PHE B 379 7.163 6.174 0.521 1.00 0.00 O ATOM 1645 CB PHE B 379 6.581 3.049 -0.587 1.00 0.00 C ATOM 1646 CG PHE B 379 7.059 1.951 -1.493 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.732 0.854 -0.985 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.823 2.016 -2.855 1.00 0.00 C ATOM 1649 CE1 PHE B 379 8.159 -0.160 -1.819 1.00 0.00 C ATOM 1650 CE2 PHE B 379 7.250 1.008 -3.694 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.917 -0.083 -3.174 1.00 0.00 C ATOM 0 H PHE B 379 8.043 2.333 1.448 1.00 0.00 H new ATOM 0 HA PHE B 379 8.323 4.298 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.967 2.610 0.199 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.937 3.717 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.925 0.790 0.076 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.298 2.866 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE B 379 8.682 -1.012 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE B 379 7.063 1.072 -4.756 1.00 0.00 H new ATOM 0 HZ PHE B 379 8.249 -0.876 -3.828 1.00 0.00 H new ATOM 1661 N LEU B 380 6.410 4.615 1.969 1.00 0.00 N ATOM 1662 CA LEU B 380 5.744 5.563 2.849 1.00 0.00 C ATOM 1663 C LEU B 380 6.673 6.010 3.985 1.00 0.00 C ATOM 1664 O LEU B 380 7.778 5.485 4.127 1.00 0.00 O ATOM 1665 CB LEU B 380 4.440 4.946 3.374 1.00 0.00 C ATOM 1666 CG LEU B 380 4.555 3.632 4.117 1.00 0.00 C ATOM 1667 CD1 LEU B 380 5.177 3.827 5.490 1.00 0.00 C ATOM 1668 CD2 LEU B 380 3.189 2.967 4.222 1.00 0.00 C ATOM 0 H LEU B 380 6.329 3.643 2.266 1.00 0.00 H new ATOM 0 HA LEU B 380 5.492 6.462 2.286 1.00 0.00 H new ATOM 0 HB2 LEU B 380 3.965 5.670 4.036 1.00 0.00 H new ATOM 0 HB3 LEU B 380 3.769 4.800 2.528 1.00 0.00 H new ATOM 0 HG LEU B 380 5.216 2.975 3.552 1.00 0.00 H new ATOM 0 HD11 LEU B 380 5.246 2.865 5.998 1.00 0.00 H new ATOM 0 HD12 LEU B 380 6.175 4.252 5.380 1.00 0.00 H new ATOM 0 HD13 LEU B 380 4.557 4.504 6.077 1.00 0.00 H new ATOM 0 HD21 LEU B 380 3.284 2.023 4.758 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.505 3.623 4.761 1.00 0.00 H new ATOM 0 HD23 LEU B 380 2.798 2.778 3.222 1.00 0.00 H new