USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 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= -0.339 K(o=-2.1,f=-5) USER MOD Set 1.2: B 369 GLN :FLIP amide:sc= -1.73 F(o=-3,f=-2.1) USER MOD Set 2.1: B 312 ASN : amide:sc= -0.271 K(o=-1.4,f=-2.6) USER MOD Set 2.2: B 316 ASN : amide:sc= -1.15 X(o=-1.4,f=-1.1) USER MOD Single : A 10 GLN :FLIP amide:sc= 0.00164 F(o=-0.79,f=0.0016) USER MOD Single : A 11 MET CE :methyl -177:sc= -1.19 (180deg=-1.23) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 305 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 306 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.83) USER MOD Single : B 309 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 310 TYR OH : rot 19:sc= -1.48! USER MOD Single : B 313 LYS NZ :NH3+ 159:sc= -0.0988 (180deg=-0.455) USER MOD Single : B 315 LYS NZ :NH3+ -127:sc= -0.273 (180deg=-3.99!) USER MOD Single : B 319 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : B 321 GLN : amide:sc= -7.84! C(o=-7.8!,f=-14!) USER MOD Single : B 325 TYR OH : rot -146:sc= -1.74 USER MOD Single : B 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 333 HIS : no HE2:sc= -3.29 K(o=-3.3,f=-4.3!) USER MOD Single : B 334 THR OG1 : rot 65:sc= 0.916 USER MOD Single : B 335 TYR OH : rot 180:sc= 0 USER MOD Single : B 336 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.9!) USER MOD Single : B 337 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0258) USER MOD Single : B 354 THR OG1 : rot 180:sc= -0.704 USER MOD Single : B 356 GLN :FLIP amide:sc= -0.107 F(o=-1.5,f=-0.11) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.7!) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 374 SER OG : rot 61:sc= 0.0674 USER MOD Single : B 378 GLN : amide:sc= -0.843 K(o=-0.84,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 1.013 5.036 -0.958 1.00 0.00 N ATOM 59 CA ILE A 9 0.128 3.882 -0.813 1.00 0.00 C ATOM 60 C ILE A 9 -0.553 3.494 -2.116 1.00 0.00 C ATOM 61 O ILE A 9 -0.403 2.366 -2.578 1.00 0.00 O ATOM 62 CB ILE A 9 -0.982 4.108 0.241 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.457 5.562 0.275 1.00 0.00 C ATOM 64 CG2 ILE A 9 -0.527 3.662 1.611 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.576 5.785 1.258 1.00 0.00 C ATOM 0 HA ILE A 9 0.789 3.078 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.833 3.496 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.618 6.208 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.790 5.855 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.326 3.832 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.281 2.600 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.355 4.232 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.873 6.834 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.428 5.162 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.238 5.521 2.260 1.00 0.00 H new ATOM 77 N GLN A 10 -1.329 4.416 -2.684 1.00 0.00 N ATOM 78 CA GLN A 10 -2.066 4.144 -3.907 1.00 0.00 C ATOM 79 C GLN A 10 -1.148 3.653 -5.027 1.00 0.00 C ATOM 80 O GLN A 10 -1.433 2.645 -5.667 1.00 0.00 O ATOM 81 CB GLN A 10 -2.837 5.386 -4.362 1.00 0.00 C ATOM 82 CG GLN A 10 -3.706 5.150 -5.591 1.00 0.00 C ATOM 83 CD GLN A 10 -4.459 6.388 -6.070 1.00 0.00 C ATOM 84 OE1 GLN A 10 -4.244 7.535 -5.424 1.00 0.00 O flip ATOM 85 NE2 GLN A 10 -5.230 6.313 -7.027 1.00 0.00 N flip ATOM 0 H GLN A 10 -1.461 5.357 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.776 3.347 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.467 5.732 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.127 6.185 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.077 4.784 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.427 4.364 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.372 5.420 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.727 7.144 -7.348 1.00 0.00 H new ATOM 94 N MET A 11 -0.045 4.370 -5.253 1.00 0.00 N ATOM 95 CA MET A 11 0.923 4.008 -6.292 1.00 0.00 C ATOM 96 C MET A 11 1.205 2.501 -6.286 1.00 0.00 C ATOM 97 O MET A 11 1.163 1.846 -7.328 1.00 0.00 O ATOM 98 CB MET A 11 2.221 4.796 -6.074 1.00 0.00 C ATOM 99 CG MET A 11 3.360 4.409 -7.002 1.00 0.00 C ATOM 100 SD MET A 11 4.854 5.365 -6.678 1.00 0.00 S ATOM 101 CE MET A 11 6.016 4.576 -7.787 1.00 0.00 C ATOM 0 H MET A 11 0.201 5.209 -4.728 1.00 0.00 H new ATOM 0 HA MET A 11 0.502 4.261 -7.265 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.011 5.858 -6.201 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.546 4.656 -5.043 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.577 3.347 -6.885 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.051 4.559 -8.036 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.001 5.024 -7.661 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.070 3.511 -7.560 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.685 4.711 -8.817 1.00 0.00 H new ATOM 111 N LEU A 12 1.478 1.967 -5.098 1.00 0.00 N ATOM 112 CA LEU A 12 1.756 0.545 -4.921 1.00 0.00 C ATOM 113 C LEU A 12 0.459 -0.272 -4.862 1.00 0.00 C ATOM 114 O LEU A 12 0.346 -1.316 -5.503 1.00 0.00 O ATOM 115 CB LEU A 12 2.596 0.373 -3.653 1.00 0.00 C ATOM 116 CG LEU A 12 2.459 -0.957 -2.917 1.00 0.00 C ATOM 117 CD1 LEU A 12 3.155 -2.064 -3.680 1.00 0.00 C ATOM 118 CD2 LEU A 12 3.022 -0.846 -1.507 1.00 0.00 C ATOM 0 H LEU A 12 1.513 2.507 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 12 2.315 0.167 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.644 0.509 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.336 1.174 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 12 1.399 -1.203 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.046 -3.004 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.708 -2.161 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.214 -1.825 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.916 -1.803 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.077 -0.576 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.477 -0.079 -0.957 1.00 0.00 H new ATOM 130 N LEU A 13 -0.508 0.219 -4.089 1.00 0.00 N ATOM 131 CA LEU A 13 -1.807 -0.428 -3.926 1.00 0.00 C ATOM 132 C LEU A 13 -2.460 -0.716 -5.279 1.00 0.00 C ATOM 133 O LEU A 13 -2.848 -1.853 -5.558 1.00 0.00 O ATOM 134 CB LEU A 13 -2.706 0.506 -3.112 1.00 0.00 C ATOM 135 CG LEU A 13 -3.824 -0.156 -2.325 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.596 0.901 -1.547 1.00 0.00 C ATOM 137 CD2 LEU A 13 -4.754 -0.941 -3.240 1.00 0.00 C ATOM 0 H LEU A 13 -0.411 1.083 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.670 -1.381 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.080 1.063 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.150 1.233 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.384 -0.865 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.398 0.424 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.922 1.411 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.022 1.625 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.543 -1.403 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.198 -0.267 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.188 -1.716 -3.756 1.00 0.00 H new ATOM 149 N GLU A 14 -2.576 0.326 -6.111 1.00 0.00 N ATOM 150 CA GLU A 14 -3.179 0.203 -7.440 1.00 0.00 C ATOM 151 C GLU A 14 -2.622 -1.004 -8.189 1.00 0.00 C ATOM 152 O GLU A 14 -3.344 -1.661 -8.941 1.00 0.00 O ATOM 153 CB GLU A 14 -2.946 1.483 -8.254 1.00 0.00 C ATOM 154 CG GLU A 14 -3.681 2.706 -7.716 1.00 0.00 C ATOM 155 CD GLU A 14 -5.194 2.576 -7.778 1.00 0.00 C ATOM 156 OE1 GLU A 14 -5.752 1.722 -7.056 1.00 0.00 O ATOM 157 OE2 GLU A 14 -5.821 3.334 -8.547 1.00 0.00 O ATOM 0 H GLU A 14 -2.258 1.268 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.251 0.056 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.877 1.696 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.259 1.308 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.380 2.876 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.375 3.584 -8.285 1.00 0.00 H new ATOM 164 N ALA A 15 -1.341 -1.301 -7.962 1.00 0.00 N ATOM 165 CA ALA A 15 -0.695 -2.443 -8.596 1.00 0.00 C ATOM 166 C ALA A 15 -1.485 -3.714 -8.341 1.00 0.00 C ATOM 167 O ALA A 15 -1.965 -4.346 -9.276 1.00 0.00 O ATOM 168 CB ALA A 15 0.721 -2.612 -8.074 1.00 0.00 C ATOM 0 H ALA A 15 -0.734 -0.764 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.660 -2.256 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.188 -3.470 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.299 -1.714 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.695 -2.774 -6.996 1.00 0.00 H new ATOM 174 N ALA A 16 -1.610 -4.080 -7.058 1.00 0.00 N ATOM 175 CA ALA A 16 -2.335 -5.282 -6.659 1.00 0.00 C ATOM 176 C ALA A 16 -3.624 -5.460 -7.455 1.00 0.00 C ATOM 177 O ALA A 16 -3.876 -6.533 -7.991 1.00 0.00 O ATOM 178 CB ALA A 16 -2.647 -5.256 -5.176 1.00 0.00 C ATOM 0 H ALA A 16 -1.214 -3.554 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.686 -6.131 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.188 -6.162 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.717 -5.203 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.261 -4.384 -4.949 1.00 0.00 H new ATOM 184 N ASP A 17 -4.434 -4.398 -7.534 1.00 0.00 N ATOM 185 CA ASP A 17 -5.698 -4.444 -8.275 1.00 0.00 C ATOM 186 C ASP A 17 -5.498 -5.080 -9.652 1.00 0.00 C ATOM 187 O ASP A 17 -6.293 -5.922 -10.076 1.00 0.00 O ATOM 188 CB ASP A 17 -6.278 -3.032 -8.427 1.00 0.00 C ATOM 189 CG ASP A 17 -7.600 -3.023 -9.174 1.00 0.00 C ATOM 190 OD1 ASP A 17 -8.566 -3.644 -8.682 1.00 0.00 O ATOM 191 OD2 ASP A 17 -7.667 -2.396 -10.251 1.00 0.00 O ATOM 0 H ASP A 17 -4.237 -3.499 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.401 -5.057 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.420 -2.593 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.561 -2.403 -8.956 1.00 0.00 H new ATOM 196 N TYR A 18 -4.422 -4.683 -10.334 1.00 0.00 N ATOM 197 CA TYR A 18 -4.097 -5.219 -11.652 1.00 0.00 C ATOM 198 C TYR A 18 -3.413 -6.580 -11.525 1.00 0.00 C ATOM 199 O TYR A 18 -3.751 -7.520 -12.245 1.00 0.00 O ATOM 200 CB TYR A 18 -3.203 -4.232 -12.420 1.00 0.00 C ATOM 201 CG TYR A 18 -2.743 -4.728 -13.775 1.00 0.00 C ATOM 202 CD1 TYR A 18 -1.836 -5.776 -13.886 1.00 0.00 C ATOM 203 CD2 TYR A 18 -3.216 -4.146 -14.945 1.00 0.00 C ATOM 204 CE1 TYR A 18 -1.415 -6.228 -15.121 1.00 0.00 C ATOM 205 CE2 TYR A 18 -2.800 -4.594 -16.185 1.00 0.00 C ATOM 206 CZ TYR A 18 -1.899 -5.636 -16.267 1.00 0.00 C ATOM 207 OH TYR A 18 -1.484 -6.084 -17.499 1.00 0.00 O ATOM 0 H TYR A 18 -3.759 -3.988 -9.991 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.023 -5.356 -12.211 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.747 -3.297 -12.554 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.327 -4.006 -11.813 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.454 -6.245 -12.991 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.921 -3.330 -14.885 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.709 -7.043 -15.188 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.178 -4.131 -17.085 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.921 -5.560 -18.202 1.00 0.00 H new ATOM 217 N LEU A 19 -2.463 -6.675 -10.594 1.00 0.00 N ATOM 218 CA LEU A 19 -1.733 -7.922 -10.350 1.00 0.00 C ATOM 219 C LEU A 19 -2.707 -9.059 -10.057 1.00 0.00 C ATOM 220 O LEU A 19 -2.470 -10.206 -10.442 1.00 0.00 O ATOM 221 CB LEU A 19 -0.779 -7.744 -9.170 1.00 0.00 C ATOM 222 CG LEU A 19 0.131 -6.522 -9.267 1.00 0.00 C ATOM 223 CD1 LEU A 19 0.777 -6.231 -7.928 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.194 -6.718 -10.336 1.00 0.00 C ATOM 0 H LEU A 19 -2.179 -5.901 -9.994 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.160 -8.171 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.365 -7.672 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.159 -8.636 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.483 -5.667 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.422 -5.357 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.003 -6.037 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.371 -7.090 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.829 -5.833 -10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.802 -7.588 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.714 -6.874 -11.302 1.00 0.00 H new ATOM 236 N GLU A 20 -3.808 -8.723 -9.381 1.00 0.00 N ATOM 237 CA GLU A 20 -4.843 -9.704 -9.036 1.00 0.00 C ATOM 238 C GLU A 20 -5.254 -10.535 -10.255 1.00 0.00 C ATOM 239 O GLU A 20 -5.556 -11.723 -10.127 1.00 0.00 O ATOM 240 CB GLU A 20 -6.069 -9.004 -8.442 1.00 0.00 C ATOM 241 CG GLU A 20 -5.873 -8.542 -7.003 1.00 0.00 C ATOM 242 CD GLU A 20 -7.000 -7.652 -6.493 1.00 0.00 C ATOM 243 OE1 GLU A 20 -7.925 -7.338 -7.276 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.949 -7.261 -5.309 1.00 0.00 O ATOM 0 H GLU A 20 -4.007 -7.776 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.422 -10.379 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.319 -8.142 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.920 -9.684 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.790 -9.416 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.930 -8.000 -6.929 1.00 0.00 H new ATOM 416 N PHE B 304 7.375 2.973 -10.326 1.00 0.00 N ATOM 417 CA PHE B 304 6.073 2.307 -10.276 1.00 0.00 C ATOM 418 C PHE B 304 6.253 0.790 -10.264 1.00 0.00 C ATOM 419 O PHE B 304 5.638 0.091 -9.460 1.00 0.00 O ATOM 420 CB PHE B 304 5.208 2.726 -11.471 1.00 0.00 C ATOM 421 CG PHE B 304 3.842 2.095 -11.483 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.931 2.354 -10.470 1.00 0.00 C ATOM 423 CD2 PHE B 304 3.470 1.239 -12.510 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.676 1.771 -10.481 1.00 0.00 C ATOM 425 CE2 PHE B 304 2.218 0.654 -12.525 1.00 0.00 C ATOM 426 CZ PHE B 304 1.321 0.920 -11.509 1.00 0.00 C ATOM 0 HA PHE B 304 5.568 2.608 -9.358 1.00 0.00 H new ATOM 0 HB2 PHE B 304 5.097 3.810 -11.465 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.727 2.464 -12.393 1.00 0.00 H new ATOM 0 HD1 PHE B 304 3.204 3.018 -9.663 1.00 0.00 H new ATOM 0 HD2 PHE B 304 4.167 1.027 -13.307 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.975 1.981 -9.687 1.00 0.00 H new ATOM 0 HE2 PHE B 304 1.941 -0.010 -13.330 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.343 0.463 -11.519 1.00 0.00 H new ATOM 436 N ASN B 305 7.113 0.296 -11.159 1.00 0.00 N ATOM 437 CA ASN B 305 7.392 -1.137 -11.259 1.00 0.00 C ATOM 438 C ASN B 305 7.956 -1.693 -9.949 1.00 0.00 C ATOM 439 O ASN B 305 7.742 -2.860 -9.630 1.00 0.00 O ATOM 440 CB ASN B 305 8.372 -1.415 -12.408 1.00 0.00 C ATOM 441 CG ASN B 305 7.809 -1.097 -13.794 1.00 0.00 C ATOM 442 OD1 ASN B 305 6.520 -0.764 -13.884 1.00 0.00 O flip ATOM 443 ND2 ASN B 305 8.535 -1.164 -14.786 1.00 0.00 N flip ATOM 0 H ASN B 305 7.629 0.870 -11.826 1.00 0.00 H new ATOM 0 HA ASN B 305 6.447 -1.641 -11.463 1.00 0.00 H new ATOM 0 HB2 ASN B 305 9.277 -0.828 -12.251 1.00 0.00 H new ATOM 0 HB3 ASN B 305 8.664 -2.465 -12.377 1.00 0.00 H new ATOM 0 HD21 ASN B 305 9.517 -1.422 -14.683 1.00 0.00 H new ATOM 0 HD22 ASN B 305 8.155 -0.962 -15.711 1.00 0.00 H new ATOM 450 N HIS B 306 8.673 -0.853 -9.195 1.00 0.00 N ATOM 451 CA HIS B 306 9.261 -1.273 -7.921 1.00 0.00 C ATOM 452 C HIS B 306 8.183 -1.816 -6.984 1.00 0.00 C ATOM 453 O HIS B 306 8.229 -2.983 -6.592 1.00 0.00 O ATOM 454 CB HIS B 306 9.998 -0.101 -7.260 1.00 0.00 C ATOM 455 CG HIS B 306 10.677 -0.450 -5.969 1.00 0.00 C ATOM 456 ND1 HIS B 306 11.304 0.487 -5.174 1.00 0.00 N ATOM 457 CD2 HIS B 306 10.831 -1.639 -5.334 1.00 0.00 C ATOM 458 CE1 HIS B 306 11.813 -0.109 -4.111 1.00 0.00 C ATOM 459 NE2 HIS B 306 11.540 -1.397 -4.184 1.00 0.00 N ATOM 0 H HIS B 306 8.859 0.118 -9.445 1.00 0.00 H new ATOM 0 HA HIS B 306 9.978 -2.069 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.743 0.284 -7.956 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.286 0.704 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS B 306 10.464 -2.597 -5.671 1.00 0.00 H new ATOM 0 HE1 HIS B 306 12.360 0.376 -3.316 1.00 0.00 H new ATOM 0 HE2 HIS B 306 11.812 -2.100 -3.497 1.00 0.00 H new ATOM 468 N ALA B 307 7.206 -0.973 -6.645 1.00 0.00 N ATOM 469 CA ALA B 307 6.110 -1.386 -5.773 1.00 0.00 C ATOM 470 C ALA B 307 5.306 -2.499 -6.433 1.00 0.00 C ATOM 471 O ALA B 307 4.927 -3.471 -5.788 1.00 0.00 O ATOM 472 CB ALA B 307 5.200 -0.211 -5.457 1.00 0.00 C ATOM 0 H ALA B 307 7.153 -0.004 -6.961 1.00 0.00 H new ATOM 0 HA ALA B 307 6.537 -1.755 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.391 -0.542 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.773 0.569 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.782 0.185 -6.383 1.00 0.00 H new ATOM 478 N ILE B 308 5.068 -2.339 -7.731 1.00 0.00 N ATOM 479 CA ILE B 308 4.329 -3.310 -8.525 1.00 0.00 C ATOM 480 C ILE B 308 4.920 -4.708 -8.389 1.00 0.00 C ATOM 481 O ILE B 308 4.268 -5.619 -7.878 1.00 0.00 O ATOM 482 CB ILE B 308 4.323 -2.868 -10.003 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.136 -1.942 -10.268 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.302 -4.062 -10.933 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.824 -1.027 -9.106 1.00 0.00 C ATOM 0 H ILE B 308 5.384 -1.528 -8.262 1.00 0.00 H new ATOM 0 HA ILE B 308 3.305 -3.351 -8.154 1.00 0.00 H new ATOM 0 HB ILE B 308 5.243 -2.319 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.344 -1.339 -11.152 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.256 -2.545 -10.494 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.298 -3.718 -11.967 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.186 -4.675 -10.758 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.407 -4.654 -10.745 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.972 -0.396 -9.358 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.585 -1.625 -8.226 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.690 -0.400 -8.894 1.00 0.00 H new ATOM 497 N ASN B 309 6.166 -4.863 -8.830 1.00 0.00 N ATOM 498 CA ASN B 309 6.854 -6.139 -8.736 1.00 0.00 C ATOM 499 C ASN B 309 6.961 -6.571 -7.272 1.00 0.00 C ATOM 500 O ASN B 309 6.968 -7.765 -6.968 1.00 0.00 O ATOM 501 CB ASN B 309 8.225 -6.039 -9.395 1.00 0.00 C ATOM 502 CG ASN B 309 8.185 -6.388 -10.872 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.511 -5.723 -11.660 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.903 -7.438 -11.255 1.00 0.00 N ATOM 0 H ASN B 309 6.717 -4.117 -9.256 1.00 0.00 H new ATOM 0 HA ASN B 309 6.283 -6.901 -9.266 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.610 -5.026 -9.274 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.919 -6.707 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN B 309 8.910 -7.721 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.447 -7.961 -10.569 1.00 0.00 H new ATOM 511 N TYR B 310 6.997 -5.584 -6.369 1.00 0.00 N ATOM 512 CA TYR B 310 7.042 -5.852 -4.937 1.00 0.00 C ATOM 513 C TYR B 310 5.739 -6.523 -4.500 1.00 0.00 C ATOM 514 O TYR B 310 5.755 -7.488 -3.735 1.00 0.00 O ATOM 515 CB TYR B 310 7.267 -4.555 -4.150 1.00 0.00 C ATOM 516 CG TYR B 310 6.829 -4.639 -2.706 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.425 -5.535 -1.829 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.806 -3.832 -2.227 1.00 0.00 C ATOM 519 CE1 TYR B 310 7.011 -5.625 -0.516 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.389 -3.912 -0.914 1.00 0.00 C ATOM 521 CZ TYR B 310 5.993 -4.811 -0.063 1.00 0.00 C ATOM 522 OH TYR B 310 5.570 -4.900 1.243 1.00 0.00 O ATOM 0 H TYR B 310 6.996 -4.593 -6.611 1.00 0.00 H new ATOM 0 HA TYR B 310 7.876 -6.522 -4.729 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.326 -4.298 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.725 -3.745 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR B 310 8.224 -6.171 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.328 -3.129 -2.894 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.481 -6.329 0.154 1.00 0.00 H new ATOM 0 HE2 TYR B 310 4.594 -3.274 -0.556 1.00 0.00 H new ATOM 0 HH TYR B 310 6.260 -5.341 1.781 1.00 0.00 H new ATOM 532 N VAL B 311 4.611 -6.018 -5.014 1.00 0.00 N ATOM 533 CA VAL B 311 3.304 -6.589 -4.699 1.00 0.00 C ATOM 534 C VAL B 311 3.264 -8.042 -5.158 1.00 0.00 C ATOM 535 O VAL B 311 2.721 -8.900 -4.467 1.00 0.00 O ATOM 536 CB VAL B 311 2.146 -5.827 -5.378 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.804 -6.383 -4.931 1.00 0.00 C ATOM 538 CG2 VAL B 311 2.201 -4.344 -5.091 1.00 0.00 C ATOM 0 H VAL B 311 4.581 -5.219 -5.647 1.00 0.00 H new ATOM 0 HA VAL B 311 3.171 -6.512 -3.620 1.00 0.00 H new ATOM 0 HB VAL B 311 2.258 -5.969 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL B 311 0.001 -5.833 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.739 -7.437 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.709 -6.279 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.368 -3.846 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL B 311 2.133 -4.179 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL B 311 3.141 -3.936 -5.462 1.00 0.00 H new ATOM 548 N ASN B 312 3.866 -8.309 -6.326 1.00 0.00 N ATOM 549 CA ASN B 312 3.924 -9.662 -6.872 1.00 0.00 C ATOM 550 C ASN B 312 4.536 -10.609 -5.839 1.00 0.00 C ATOM 551 O ASN B 312 4.047 -11.722 -5.648 1.00 0.00 O ATOM 552 CB ASN B 312 4.733 -9.679 -8.176 1.00 0.00 C ATOM 553 CG ASN B 312 4.811 -11.061 -8.804 1.00 0.00 C ATOM 554 OD1 ASN B 312 5.402 -11.980 -8.238 1.00 0.00 O ATOM 555 ND2 ASN B 312 4.214 -11.213 -9.981 1.00 0.00 N ATOM 0 H ASN B 312 4.318 -7.602 -6.906 1.00 0.00 H new ATOM 0 HA ASN B 312 2.913 -9.999 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.282 -8.987 -8.887 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.742 -9.318 -7.977 1.00 0.00 H new ATOM 0 HD21 ASN B 312 4.235 -12.118 -10.450 1.00 0.00 H new ATOM 0 HD22 ASN B 312 3.735 -10.424 -10.415 1.00 0.00 H new ATOM 562 N LYS B 313 5.581 -10.137 -5.146 1.00 0.00 N ATOM 563 CA LYS B 313 6.229 -10.924 -4.094 1.00 0.00 C ATOM 564 C LYS B 313 5.199 -11.326 -3.055 1.00 0.00 C ATOM 565 O LYS B 313 5.074 -12.495 -2.717 1.00 0.00 O ATOM 566 CB LYS B 313 7.338 -10.112 -3.410 1.00 0.00 C ATOM 567 CG LYS B 313 8.566 -9.899 -4.274 1.00 0.00 C ATOM 568 CD LYS B 313 9.392 -8.706 -3.817 1.00 0.00 C ATOM 569 CE LYS B 313 10.281 -9.051 -2.632 1.00 0.00 C ATOM 570 NZ LYS B 313 11.314 -10.068 -2.982 1.00 0.00 N ATOM 0 H LYS B 313 5.993 -9.216 -5.296 1.00 0.00 H new ATOM 0 HA LYS B 313 6.670 -11.810 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.937 -9.141 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.635 -10.621 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS B 313 9.184 -10.797 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.258 -9.750 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS B 313 10.009 -8.354 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS B 313 8.727 -7.887 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS B 313 10.771 -8.146 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS B 313 9.665 -9.427 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 12.096 -10.018 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 10.890 -11.017 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 11.678 -9.879 -3.938 1.00 0.00 H new ATOM 584 N ILE B 314 4.460 -10.333 -2.569 1.00 0.00 N ATOM 585 CA ILE B 314 3.422 -10.547 -1.573 1.00 0.00 C ATOM 586 C ILE B 314 2.301 -11.416 -2.135 1.00 0.00 C ATOM 587 O ILE B 314 2.010 -12.482 -1.606 1.00 0.00 O ATOM 588 CB ILE B 314 2.860 -9.184 -1.109 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.961 -8.411 -0.384 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.631 -9.351 -0.222 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.631 -6.960 -0.156 1.00 0.00 C ATOM 0 H ILE B 314 4.566 -9.360 -2.856 1.00 0.00 H new ATOM 0 HA ILE B 314 3.858 -11.067 -0.720 1.00 0.00 H new ATOM 0 HB ILE B 314 2.538 -8.621 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE B 314 4.154 -8.886 0.578 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.882 -8.479 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.266 -8.370 0.083 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.850 -9.872 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.896 -9.930 0.662 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.458 -6.476 0.363 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.468 -6.469 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.728 -6.883 0.449 1.00 0.00 H new ATOM 603 N LYS B 315 1.701 -10.972 -3.231 1.00 0.00 N ATOM 604 CA LYS B 315 0.634 -11.719 -3.881 1.00 0.00 C ATOM 605 C LYS B 315 1.011 -13.199 -3.994 1.00 0.00 C ATOM 606 O LYS B 315 0.240 -14.079 -3.605 1.00 0.00 O ATOM 607 CB LYS B 315 0.380 -11.102 -5.254 1.00 0.00 C ATOM 608 CG LYS B 315 -0.741 -11.743 -6.046 1.00 0.00 C ATOM 609 CD LYS B 315 -0.863 -11.087 -7.409 1.00 0.00 C ATOM 610 CE LYS B 315 0.334 -11.431 -8.282 1.00 0.00 C ATOM 611 NZ LYS B 315 0.197 -10.916 -9.674 1.00 0.00 N ATOM 0 H LYS B 315 1.937 -10.093 -3.691 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.280 -11.664 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.154 -10.044 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.298 -11.162 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.549 -12.809 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.681 -11.647 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.781 -11.417 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.935 -10.006 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS B 315 1.237 -11.017 -7.833 1.00 0.00 H new ATOM 0 HE3 LYS B 315 0.459 -12.513 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 0.343 -11.694 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -0.755 -10.519 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 0.907 -10.175 -9.841 1.00 0.00 H new ATOM 625 N ASN B 316 2.218 -13.457 -4.496 1.00 0.00 N ATOM 626 CA ASN B 316 2.739 -14.817 -4.630 1.00 0.00 C ATOM 627 C ASN B 316 3.047 -15.426 -3.259 1.00 0.00 C ATOM 628 O ASN B 316 2.676 -16.566 -2.979 1.00 0.00 O ATOM 629 CB ASN B 316 4.007 -14.808 -5.497 1.00 0.00 C ATOM 630 CG ASN B 316 3.742 -14.580 -6.985 1.00 0.00 C ATOM 631 OD1 ASN B 316 4.674 -14.600 -7.788 1.00 0.00 O ATOM 632 ND2 ASN B 316 2.483 -14.358 -7.372 1.00 0.00 N ATOM 0 H ASN B 316 2.860 -12.733 -4.820 1.00 0.00 H new ATOM 0 HA ASN B 316 1.976 -15.429 -5.111 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.677 -14.028 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.526 -15.758 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN B 316 2.273 -14.199 -8.357 1.00 0.00 H new ATOM 0 HD22 ASN B 316 1.732 -14.348 -6.682 1.00 0.00 H new ATOM 639 N ARG B 317 3.739 -14.655 -2.416 1.00 0.00 N ATOM 640 CA ARG B 317 4.124 -15.096 -1.073 1.00 0.00 C ATOM 641 C ARG B 317 2.910 -15.516 -0.248 1.00 0.00 C ATOM 642 O ARG B 317 2.899 -16.601 0.337 1.00 0.00 O ATOM 643 CB ARG B 317 4.878 -13.981 -0.339 1.00 0.00 C ATOM 644 CG ARG B 317 5.578 -14.442 0.931 1.00 0.00 C ATOM 645 CD ARG B 317 6.746 -15.368 0.619 1.00 0.00 C ATOM 646 NE ARG B 317 7.762 -14.712 -0.208 1.00 0.00 N ATOM 647 CZ ARG B 317 8.867 -15.315 -0.655 1.00 0.00 C ATOM 648 NH1 ARG B 317 9.109 -16.589 -0.360 1.00 0.00 N ATOM 649 NH2 ARG B 317 9.734 -14.637 -1.402 1.00 0.00 N ATOM 0 H ARG B 317 4.047 -13.710 -2.645 1.00 0.00 H new ATOM 0 HA ARG B 317 4.775 -15.962 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG B 317 5.618 -13.551 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.176 -13.186 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG B 317 5.938 -13.575 1.485 1.00 0.00 H new ATOM 0 HG3 ARG B 317 4.865 -14.958 1.574 1.00 0.00 H new ATOM 0 HD2 ARG B 317 7.200 -15.705 1.551 1.00 0.00 H new ATOM 0 HD3 ARG B 317 6.377 -16.255 0.104 1.00 0.00 H new ATOM 0 HE ARG B 317 7.617 -13.734 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG B 317 8.448 -17.114 0.212 1.00 0.00 H new ATOM 0 HH12 ARG B 317 9.956 -17.041 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG B 317 9.554 -13.660 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG B 317 10.579 -15.094 -1.745 1.00 0.00 H new ATOM 663 N PHE B 318 1.889 -14.655 -0.198 1.00 0.00 N ATOM 664 CA PHE B 318 0.682 -14.956 0.566 1.00 0.00 C ATOM 665 C PHE B 318 -0.427 -15.466 -0.357 1.00 0.00 C ATOM 666 O PHE B 318 -1.605 -15.167 -0.155 1.00 0.00 O ATOM 667 CB PHE B 318 0.204 -13.728 1.373 1.00 0.00 C ATOM 668 CG PHE B 318 1.320 -12.917 1.975 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.020 -12.012 1.209 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.676 -13.078 3.301 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.053 -11.274 1.742 1.00 0.00 C ATOM 672 CE2 PHE B 318 2.711 -12.342 3.847 1.00 0.00 C ATOM 673 CZ PHE B 318 3.400 -11.436 3.061 1.00 0.00 C ATOM 0 H PHE B 318 1.877 -13.753 -0.674 1.00 0.00 H new ATOM 0 HA PHE B 318 0.926 -15.744 1.279 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.387 -13.085 0.720 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.457 -14.066 2.171 1.00 0.00 H new ATOM 0 HD1 PHE B 318 1.754 -11.879 0.171 1.00 0.00 H new ATOM 0 HD2 PHE B 318 1.140 -13.786 3.916 1.00 0.00 H new ATOM 0 HE1 PHE B 318 3.589 -10.569 1.124 1.00 0.00 H new ATOM 0 HE2 PHE B 318 2.981 -12.474 4.884 1.00 0.00 H new ATOM 0 HZ PHE B 318 4.208 -10.858 3.483 1.00 0.00 H new ATOM 683 N GLN B 319 -0.035 -16.252 -1.371 1.00 0.00 N ATOM 684 CA GLN B 319 -0.987 -16.833 -2.324 1.00 0.00 C ATOM 685 C GLN B 319 -2.124 -17.571 -1.610 1.00 0.00 C ATOM 686 O GLN B 319 -3.258 -17.582 -2.093 1.00 0.00 O ATOM 687 CB GLN B 319 -0.279 -17.766 -3.308 1.00 0.00 C ATOM 688 CG GLN B 319 0.616 -18.784 -2.632 1.00 0.00 C ATOM 689 CD GLN B 319 1.274 -19.774 -3.591 1.00 0.00 C ATOM 690 OE1 GLN B 319 1.008 -19.647 -4.892 1.00 0.00 O flip ATOM 691 NE2 GLN B 319 2.021 -20.651 -3.159 1.00 0.00 N flip ATOM 0 H GLN B 319 0.938 -16.499 -1.551 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.426 -16.008 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN B 319 -1.027 -18.289 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN B 319 0.318 -17.169 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN B 319 1.395 -18.257 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN B 319 0.028 -19.339 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN B 319 2.202 -20.719 -2.158 1.00 0.00 H new ATOM 0 HE22 GLN B 319 2.459 -21.310 -3.802 1.00 0.00 H new ATOM 700 N GLY B 320 -1.823 -18.162 -0.444 1.00 0.00 N ATOM 701 CA GLY B 320 -2.837 -18.858 0.324 1.00 0.00 C ATOM 702 C GLY B 320 -3.323 -18.009 1.478 1.00 0.00 C ATOM 703 O GLY B 320 -3.779 -18.528 2.499 1.00 0.00 O ATOM 0 H GLY B 320 -0.893 -18.166 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.676 -19.113 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -2.431 -19.795 0.704 1.00 0.00 H new ATOM 707 N GLN B 321 -3.200 -16.691 1.312 1.00 0.00 N ATOM 708 CA GLN B 321 -3.594 -15.733 2.323 1.00 0.00 C ATOM 709 C GLN B 321 -4.359 -14.580 1.693 1.00 0.00 C ATOM 710 O GLN B 321 -3.904 -13.433 1.709 1.00 0.00 O ATOM 711 CB GLN B 321 -2.344 -15.221 3.029 1.00 0.00 C ATOM 712 CG GLN B 321 -1.710 -16.266 3.912 1.00 0.00 C ATOM 713 CD GLN B 321 -0.254 -15.998 4.252 1.00 0.00 C ATOM 714 OE1 GLN B 321 0.588 -15.874 3.367 1.00 0.00 O ATOM 715 NE2 GLN B 321 0.056 -15.936 5.545 1.00 0.00 N ATOM 0 H GLN B 321 -2.822 -16.265 0.466 1.00 0.00 H new ATOM 0 HA GLN B 321 -4.251 -16.215 3.047 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.620 -14.891 2.284 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.602 -14.349 3.631 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -2.280 -16.336 4.838 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -1.783 -17.235 3.418 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -0.673 -16.044 6.250 1.00 0.00 H new ATOM 0 HE22 GLN B 321 1.023 -15.780 5.831 1.00 0.00 H new ATOM 724 N PRO B 322 -5.547 -14.868 1.133 1.00 0.00 N ATOM 725 CA PRO B 322 -6.384 -13.845 0.509 1.00 0.00 C ATOM 726 C PRO B 322 -6.761 -12.754 1.504 1.00 0.00 C ATOM 727 O PRO B 322 -7.002 -11.615 1.119 1.00 0.00 O ATOM 728 CB PRO B 322 -7.630 -14.615 0.049 1.00 0.00 C ATOM 729 CG PRO B 322 -7.617 -15.884 0.829 1.00 0.00 C ATOM 730 CD PRO B 322 -6.172 -16.200 1.079 1.00 0.00 C ATOM 0 HA PRO B 322 -5.874 -13.336 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.539 -14.044 0.241 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.598 -14.811 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.160 -15.771 1.767 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.102 -16.688 0.275 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -6.034 -16.749 2.011 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.749 -16.812 0.283 1.00 0.00 H new ATOM 738 N ASP B 323 -6.775 -13.101 2.795 1.00 0.00 N ATOM 739 CA ASP B 323 -7.089 -12.135 3.833 1.00 0.00 C ATOM 740 C ASP B 323 -5.957 -11.126 3.953 1.00 0.00 C ATOM 741 O ASP B 323 -6.189 -9.958 4.246 1.00 0.00 O ATOM 742 CB ASP B 323 -7.325 -12.833 5.180 1.00 0.00 C ATOM 743 CG ASP B 323 -8.524 -13.775 5.173 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.210 -13.879 4.130 1.00 0.00 O ATOM 745 OD2 ASP B 323 -8.779 -14.409 6.218 1.00 0.00 O ATOM 0 H ASP B 323 -6.573 -14.040 3.137 1.00 0.00 H new ATOM 0 HA ASP B 323 -8.007 -11.616 3.558 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.432 -13.396 5.450 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.471 -12.077 5.952 1.00 0.00 H new ATOM 750 N ILE B 324 -4.731 -11.597 3.718 1.00 0.00 N ATOM 751 CA ILE B 324 -3.554 -10.754 3.790 1.00 0.00 C ATOM 752 C ILE B 324 -3.473 -9.811 2.611 1.00 0.00 C ATOM 753 O ILE B 324 -3.355 -8.599 2.778 1.00 0.00 O ATOM 754 CB ILE B 324 -2.279 -11.595 3.813 1.00 0.00 C ATOM 755 CG1 ILE B 324 -2.244 -12.437 5.078 1.00 0.00 C ATOM 756 CG2 ILE B 324 -1.058 -10.679 3.684 1.00 0.00 C ATOM 757 CD1 ILE B 324 -0.986 -13.241 5.190 1.00 0.00 C ATOM 0 H ILE B 324 -4.535 -12.568 3.475 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.640 -10.179 4.712 1.00 0.00 H new ATOM 0 HB ILE B 324 -2.262 -12.282 2.967 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -2.335 -11.786 5.948 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -3.103 -13.107 5.090 1.00 0.00 H new ATOM 0 HG21 ILE B 324 -0.149 -11.280 3.701 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -1.113 -10.130 2.744 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -1.042 -9.974 4.516 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -1.008 -13.825 6.110 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -0.906 -13.913 4.335 1.00 0.00 H new ATOM 0 HD13 ILE B 324 -0.126 -12.571 5.207 1.00 0.00 H new ATOM 769 N TYR B 325 -3.511 -10.385 1.414 1.00 0.00 N ATOM 770 CA TYR B 325 -3.415 -9.593 0.196 1.00 0.00 C ATOM 771 C TYR B 325 -4.541 -8.560 0.156 1.00 0.00 C ATOM 772 O TYR B 325 -4.290 -7.374 -0.066 1.00 0.00 O ATOM 773 CB TYR B 325 -3.482 -10.497 -1.041 1.00 0.00 C ATOM 774 CG TYR B 325 -2.917 -9.863 -2.295 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.965 -8.850 -2.222 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.329 -10.285 -3.554 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.448 -8.273 -3.375 1.00 0.00 C ATOM 778 CE2 TYR B 325 -2.820 -9.711 -4.704 1.00 0.00 C ATOM 779 CZ TYR B 325 -1.884 -8.709 -4.609 1.00 0.00 C ATOM 780 OH TYR B 325 -1.387 -8.136 -5.755 1.00 0.00 O ATOM 0 H TYR B 325 -3.607 -11.389 1.262 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.456 -9.075 0.192 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -2.938 -11.419 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.521 -10.773 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.624 -8.508 -1.256 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.060 -11.076 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.709 -7.488 -3.306 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.156 -10.049 -5.673 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.089 -8.109 -6.438 1.00 0.00 H new ATOM 790 N LYS B 326 -5.777 -9.005 0.407 1.00 0.00 N ATOM 791 CA LYS B 326 -6.927 -8.100 0.434 1.00 0.00 C ATOM 792 C LYS B 326 -6.767 -7.054 1.541 1.00 0.00 C ATOM 793 O LYS B 326 -6.960 -5.860 1.309 1.00 0.00 O ATOM 794 CB LYS B 326 -8.236 -8.875 0.634 1.00 0.00 C ATOM 795 CG LYS B 326 -8.546 -9.853 -0.489 1.00 0.00 C ATOM 796 CD LYS B 326 -9.906 -10.511 -0.305 1.00 0.00 C ATOM 797 CE LYS B 326 -11.037 -9.496 -0.383 1.00 0.00 C ATOM 798 NZ LYS B 326 -12.377 -10.137 -0.256 1.00 0.00 N ATOM 0 H LYS B 326 -6.004 -9.982 0.593 1.00 0.00 H new ATOM 0 HA LYS B 326 -6.970 -7.592 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.184 -9.422 1.576 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.058 -8.165 0.723 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.522 -9.329 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -7.773 -10.620 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -10.048 -11.274 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -9.938 -11.018 0.659 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -10.914 -8.755 0.407 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -10.980 -8.962 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -13.117 -9.409 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -12.507 -10.825 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -12.443 -10.625 0.660 1.00 0.00 H new ATOM 812 N ALA B 327 -6.406 -7.518 2.746 1.00 0.00 N ATOM 813 CA ALA B 327 -6.212 -6.633 3.899 1.00 0.00 C ATOM 814 C ALA B 327 -5.163 -5.567 3.607 1.00 0.00 C ATOM 815 O ALA B 327 -5.391 -4.386 3.850 1.00 0.00 O ATOM 816 CB ALA B 327 -5.806 -7.431 5.130 1.00 0.00 C ATOM 0 H ALA B 327 -6.242 -8.505 2.946 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.163 -6.138 4.095 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.668 -6.754 5.973 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.586 -8.153 5.369 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.873 -7.958 4.931 1.00 0.00 H new ATOM 822 N PHE B 328 -4.019 -5.999 3.075 1.00 0.00 N ATOM 823 CA PHE B 328 -2.922 -5.092 2.738 1.00 0.00 C ATOM 824 C PHE B 328 -3.446 -3.917 1.917 1.00 0.00 C ATOM 825 O PHE B 328 -3.146 -2.761 2.214 1.00 0.00 O ATOM 826 CB PHE B 328 -1.848 -5.865 1.957 1.00 0.00 C ATOM 827 CG PHE B 328 -0.605 -5.080 1.637 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.642 -4.016 0.748 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.606 -5.418 2.219 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.507 -3.307 0.448 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.755 -4.713 1.923 1.00 0.00 C ATOM 832 CZ PHE B 328 1.704 -3.657 1.037 1.00 0.00 C ATOM 0 H PHE B 328 -3.828 -6.979 2.867 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.480 -4.696 3.652 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.565 -6.746 2.533 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.285 -6.221 1.024 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.578 -3.738 0.285 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.651 -6.244 2.913 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.467 -2.481 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.692 -4.988 2.384 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.602 -3.104 0.804 1.00 0.00 H new ATOM 842 N LEU B 329 -4.249 -4.223 0.899 1.00 0.00 N ATOM 843 CA LEU B 329 -4.842 -3.193 0.048 1.00 0.00 C ATOM 844 C LEU B 329 -5.731 -2.256 0.866 1.00 0.00 C ATOM 845 O LEU B 329 -5.547 -1.039 0.840 1.00 0.00 O ATOM 846 CB LEU B 329 -5.648 -3.831 -1.086 1.00 0.00 C ATOM 847 CG LEU B 329 -4.860 -4.789 -1.985 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.740 -5.320 -3.103 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.626 -4.099 -2.550 1.00 0.00 C ATOM 0 H LEU B 329 -4.504 -5.177 0.643 1.00 0.00 H new ATOM 0 HA LEU B 329 -4.032 -2.607 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.489 -4.373 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -6.065 -3.037 -1.705 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.531 -5.635 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -5.162 -5.998 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.588 -5.855 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -6.103 -4.488 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -3.079 -4.795 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.930 -3.233 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.984 -3.774 -1.731 1.00 0.00 H new ATOM 861 N GLU B 330 -6.691 -2.835 1.596 1.00 0.00 N ATOM 862 CA GLU B 330 -7.614 -2.058 2.431 1.00 0.00 C ATOM 863 C GLU B 330 -6.858 -1.200 3.447 1.00 0.00 C ATOM 864 O GLU B 330 -7.289 -0.092 3.770 1.00 0.00 O ATOM 865 CB GLU B 330 -8.590 -2.987 3.162 1.00 0.00 C ATOM 866 CG GLU B 330 -9.466 -3.821 2.231 1.00 0.00 C ATOM 867 CD GLU B 330 -10.407 -2.991 1.366 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.455 -1.750 1.534 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.110 -3.587 0.523 1.00 0.00 O ATOM 0 H GLU B 330 -6.849 -3.842 1.625 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.175 -1.396 1.772 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.023 -3.657 3.808 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.231 -2.388 3.808 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -8.825 -4.420 1.584 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -10.055 -4.517 2.828 1.00 0.00 H new ATOM 876 N ILE B 331 -5.723 -1.711 3.927 1.00 0.00 N ATOM 877 CA ILE B 331 -4.889 -0.990 4.884 1.00 0.00 C ATOM 878 C ILE B 331 -4.458 0.343 4.285 1.00 0.00 C ATOM 879 O ILE B 331 -4.643 1.403 4.885 1.00 0.00 O ATOM 880 CB ILE B 331 -3.654 -1.835 5.258 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.087 -3.023 6.116 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.610 -1.002 5.984 1.00 0.00 C ATOM 883 CD1 ILE B 331 -3.010 -4.065 6.289 1.00 0.00 C ATOM 0 H ILE B 331 -5.360 -2.628 3.665 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.465 -0.802 5.790 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.196 -2.202 4.340 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.391 -2.660 7.098 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -4.962 -3.488 5.663 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.753 -1.628 6.233 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.286 -0.183 5.341 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.041 -0.596 6.899 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.387 -4.879 6.909 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.722 -4.456 5.313 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.142 -3.615 6.770 1.00 0.00 H new ATOM 895 N LEU B 332 -3.913 0.265 3.076 1.00 0.00 N ATOM 896 CA LEU B 332 -3.474 1.438 2.330 1.00 0.00 C ATOM 897 C LEU B 332 -4.664 2.339 2.014 1.00 0.00 C ATOM 898 O LEU B 332 -4.612 3.553 2.203 1.00 0.00 O ATOM 899 CB LEU B 332 -2.825 0.993 1.025 1.00 0.00 C ATOM 900 CG LEU B 332 -1.789 -0.115 1.158 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.462 -0.681 -0.206 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.542 0.401 1.848 1.00 0.00 C ATOM 0 H LEU B 332 -3.763 -0.616 2.585 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.756 1.992 2.934 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.608 0.656 0.345 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.351 1.858 0.561 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.202 -0.914 1.773 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.720 -1.473 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.367 -1.088 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -1.063 0.109 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU B 332 0.186 -0.405 1.934 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.114 1.216 1.264 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -0.800 0.764 2.843 1.00 0.00 H new ATOM 914 N HIS B 333 -5.733 1.715 1.511 1.00 0.00 N ATOM 915 CA HIS B 333 -6.960 2.430 1.137 1.00 0.00 C ATOM 916 C HIS B 333 -7.502 3.294 2.278 1.00 0.00 C ATOM 917 O HIS B 333 -7.988 4.400 2.036 1.00 0.00 O ATOM 918 CB HIS B 333 -8.052 1.447 0.700 1.00 0.00 C ATOM 919 CG HIS B 333 -7.875 0.899 -0.681 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.833 1.692 -1.809 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.755 -0.375 -1.115 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.698 0.926 -2.877 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.648 -0.332 -2.484 1.00 0.00 N ATOM 0 H HIS B 333 -5.774 0.708 1.352 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.692 3.084 0.307 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.080 0.617 1.406 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.019 1.948 0.758 1.00 0.00 H new ATOM 0 HD1 HIS B 333 -7.896 2.710 -1.817 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.745 -1.263 -0.500 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.639 1.271 -3.899 1.00 0.00 H new ATOM 932 N THR B 334 -7.416 2.795 3.515 1.00 0.00 N ATOM 933 CA THR B 334 -7.903 3.549 4.674 1.00 0.00 C ATOM 934 C THR B 334 -7.157 4.879 4.769 1.00 0.00 C ATOM 935 O THR B 334 -7.747 5.916 5.059 1.00 0.00 O ATOM 936 CB THR B 334 -7.711 2.734 5.965 1.00 0.00 C ATOM 937 OG1 THR B 334 -8.371 1.482 5.873 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.225 3.428 7.215 1.00 0.00 C ATOM 0 H THR B 334 -7.018 1.883 3.738 1.00 0.00 H new ATOM 0 HA THR B 334 -8.968 3.745 4.549 1.00 0.00 H new ATOM 0 HB THR B 334 -6.632 2.613 6.059 1.00 0.00 H new ATOM 0 HG1 THR B 334 -7.950 0.941 5.173 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.053 2.790 8.082 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.698 4.373 7.349 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.293 3.620 7.112 1.00 0.00 H new ATOM 946 N TYR B 335 -5.857 4.829 4.495 1.00 0.00 N ATOM 947 CA TYR B 335 -5.005 6.012 4.520 1.00 0.00 C ATOM 948 C TYR B 335 -5.508 7.084 3.538 1.00 0.00 C ATOM 949 O TYR B 335 -5.878 8.178 3.960 1.00 0.00 O ATOM 950 CB TYR B 335 -3.575 5.590 4.183 1.00 0.00 C ATOM 951 CG TYR B 335 -2.526 6.683 4.253 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.631 7.843 3.496 1.00 0.00 C ATOM 953 CD2 TYR B 335 -1.410 6.529 5.058 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.653 8.816 3.544 1.00 0.00 C ATOM 955 CE2 TYR B 335 -0.431 7.495 5.116 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.554 8.637 4.356 1.00 0.00 C ATOM 957 OH TYR B 335 0.425 9.603 4.408 1.00 0.00 O ATOM 0 H TYR B 335 -5.366 3.969 4.250 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.033 6.456 5.515 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.283 4.790 4.863 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.568 5.171 3.177 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -3.492 7.986 2.860 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -1.306 5.633 5.652 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.749 9.712 2.949 1.00 0.00 H new ATOM 0 HE2 TYR B 335 0.429 7.358 5.754 1.00 0.00 H new ATOM 0 HH TYR B 335 1.129 9.322 5.029 1.00 0.00 H new ATOM 967 N GLN B 336 -5.515 6.763 2.230 1.00 0.00 N ATOM 968 CA GLN B 336 -5.964 7.709 1.189 1.00 0.00 C ATOM 969 C GLN B 336 -7.363 8.261 1.451 1.00 0.00 C ATOM 970 O GLN B 336 -7.627 9.434 1.181 1.00 0.00 O ATOM 971 CB GLN B 336 -5.950 7.062 -0.205 1.00 0.00 C ATOM 972 CG GLN B 336 -4.571 6.947 -0.839 1.00 0.00 C ATOM 973 CD GLN B 336 -3.845 8.282 -1.013 1.00 0.00 C ATOM 974 OE1 GLN B 336 -2.643 8.303 -1.280 1.00 0.00 O ATOM 975 NE2 GLN B 336 -4.562 9.401 -0.895 1.00 0.00 N ATOM 0 H GLN B 336 -5.215 5.857 1.869 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.253 8.534 1.225 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.386 6.066 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.592 7.643 -0.867 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -3.955 6.289 -0.225 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.671 6.471 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -5.556 9.349 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -4.116 10.309 -1.027 1.00 0.00 H new ATOM 984 N LYS B 337 -8.258 7.415 1.953 1.00 0.00 N ATOM 985 CA LYS B 337 -9.632 7.831 2.222 1.00 0.00 C ATOM 986 C LYS B 337 -9.686 9.001 3.196 1.00 0.00 C ATOM 987 O LYS B 337 -10.294 10.029 2.904 1.00 0.00 O ATOM 988 CB LYS B 337 -10.433 6.663 2.774 1.00 0.00 C ATOM 989 CG LYS B 337 -10.872 5.688 1.701 1.00 0.00 C ATOM 990 CD LYS B 337 -11.442 4.422 2.306 1.00 0.00 C ATOM 991 CE LYS B 337 -12.543 4.714 3.318 1.00 0.00 C ATOM 992 NZ LYS B 337 -13.672 5.484 2.721 1.00 0.00 N ATOM 0 H LYS B 337 -8.058 6.441 2.181 1.00 0.00 H new ATOM 0 HA LYS B 337 -10.068 8.160 1.279 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -9.832 6.134 3.514 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.313 7.045 3.292 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.621 6.158 1.064 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.023 5.439 1.064 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -11.839 3.789 1.513 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -10.643 3.862 2.792 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -12.920 3.775 3.722 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -12.125 5.275 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -14.440 5.571 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -13.341 6.432 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -14.024 4.987 1.878 1.00 0.00 H new ATOM 1006 N GLU B 338 -9.044 8.833 4.347 1.00 0.00 N ATOM 1007 CA GLU B 338 -9.015 9.864 5.376 1.00 0.00 C ATOM 1008 C GLU B 338 -8.329 11.145 4.888 1.00 0.00 C ATOM 1009 O GLU B 338 -8.724 12.244 5.282 1.00 0.00 O ATOM 1010 CB GLU B 338 -8.330 9.315 6.633 1.00 0.00 C ATOM 1011 CG GLU B 338 -9.300 8.753 7.673 1.00 0.00 C ATOM 1012 CD GLU B 338 -10.171 7.594 7.197 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -9.935 7.062 6.096 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -11.087 7.207 7.951 1.00 0.00 O ATOM 0 H GLU B 338 -8.533 7.985 4.591 1.00 0.00 H new ATOM 0 HA GLU B 338 -10.043 10.134 5.617 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.632 8.531 6.341 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -7.742 10.111 7.091 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -8.726 8.422 8.539 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -9.951 9.559 8.011 1.00 0.00 H new ATOM 1220 N LEU B 353 -6.101 7.797 9.631 1.00 0.00 N ATOM 1221 CA LEU B 353 -4.948 6.984 9.242 1.00 0.00 C ATOM 1222 C LEU B 353 -3.720 7.828 8.985 1.00 0.00 C ATOM 1223 O LEU B 353 -3.797 9.013 8.652 1.00 0.00 O ATOM 1224 CB LEU B 353 -5.191 6.186 7.957 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.700 4.750 8.094 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -4.551 3.763 7.975 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -6.463 4.546 9.400 1.00 0.00 C ATOM 0 HA LEU B 353 -4.795 6.311 10.086 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -5.908 6.739 7.350 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -4.255 6.158 7.398 1.00 0.00 H new ATOM 0 HG LEU B 353 -6.399 4.566 7.278 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -4.932 2.747 8.075 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -4.073 3.877 7.002 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -3.822 3.956 8.762 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -6.809 3.514 9.462 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -5.805 4.759 10.243 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -7.320 5.219 9.429 1.00 0.00 H new ATOM 1239 N THR B 354 -2.601 7.151 9.085 1.00 0.00 N ATOM 1240 CA THR B 354 -1.292 7.704 8.821 1.00 0.00 C ATOM 1241 C THR B 354 -0.398 6.547 8.422 1.00 0.00 C ATOM 1242 O THR B 354 -0.826 5.389 8.477 1.00 0.00 O ATOM 1243 CB THR B 354 -0.727 8.417 10.056 1.00 0.00 C ATOM 1244 OG1 THR B 354 -0.718 7.552 11.179 1.00 0.00 O ATOM 1245 CG2 THR B 354 -1.496 9.662 10.441 1.00 0.00 C ATOM 0 H THR B 354 -2.575 6.169 9.361 1.00 0.00 H new ATOM 0 HA THR B 354 -1.349 8.450 8.028 1.00 0.00 H new ATOM 0 HB THR B 354 0.285 8.710 9.775 1.00 0.00 H new ATOM 0 HG1 THR B 354 -0.352 8.027 11.955 1.00 0.00 H new ATOM 0 HG21 THR B 354 -1.040 10.113 11.322 1.00 0.00 H new ATOM 0 HG22 THR B 354 -1.473 10.374 9.616 1.00 0.00 H new ATOM 0 HG23 THR B 354 -2.530 9.397 10.663 1.00 0.00 H new ATOM 1253 N GLU B 355 0.840 6.824 8.061 1.00 0.00 N ATOM 1254 CA GLU B 355 1.760 5.749 7.714 1.00 0.00 C ATOM 1255 C GLU B 355 1.822 4.751 8.883 1.00 0.00 C ATOM 1256 O GLU B 355 2.131 3.576 8.696 1.00 0.00 O ATOM 1257 CB GLU B 355 3.139 6.325 7.399 1.00 0.00 C ATOM 1258 CG GLU B 355 3.122 7.385 6.302 1.00 0.00 C ATOM 1259 CD GLU B 355 2.866 6.825 4.909 1.00 0.00 C ATOM 1260 OE1 GLU B 355 1.977 5.962 4.757 1.00 0.00 O ATOM 1261 OE2 GLU B 355 3.546 7.273 3.961 1.00 0.00 O ATOM 0 H GLU B 355 1.230 7.764 8.000 1.00 0.00 H new ATOM 0 HA GLU B 355 1.410 5.225 6.825 1.00 0.00 H new ATOM 0 HB2 GLU B 355 3.558 6.760 8.306 1.00 0.00 H new ATOM 0 HB3 GLU B 355 3.802 5.514 7.099 1.00 0.00 H new ATOM 0 HG2 GLU B 355 2.353 8.122 6.534 1.00 0.00 H new ATOM 0 HG3 GLU B 355 4.077 7.910 6.302 1.00 0.00 H new ATOM 1268 N GLN B 356 1.492 5.247 10.088 1.00 0.00 N ATOM 1269 CA GLN B 356 1.461 4.443 11.309 1.00 0.00 C ATOM 1270 C GLN B 356 0.384 3.357 11.261 1.00 0.00 C ATOM 1271 O GLN B 356 0.662 2.209 11.596 1.00 0.00 O ATOM 1272 CB GLN B 356 1.231 5.331 12.539 1.00 0.00 C ATOM 1273 CG GLN B 356 2.379 6.285 12.840 1.00 0.00 C ATOM 1274 CD GLN B 356 3.667 5.596 13.293 1.00 0.00 C ATOM 1275 OE1 GLN B 356 3.623 4.282 13.530 1.00 0.00 O flip ATOM 1276 NE2 GLN B 356 4.698 6.250 13.445 1.00 0.00 N flip ATOM 0 H GLN B 356 1.239 6.224 10.237 1.00 0.00 H new ATOM 0 HA GLN B 356 2.432 3.954 11.385 1.00 0.00 H new ATOM 0 HB2 GLN B 356 0.320 5.911 12.390 1.00 0.00 H new ATOM 0 HB3 GLN B 356 1.065 4.694 13.408 1.00 0.00 H new ATOM 0 HG2 GLN B 356 2.590 6.874 11.947 1.00 0.00 H new ATOM 0 HG3 GLN B 356 2.062 6.983 13.615 1.00 0.00 H new ATOM 0 HE21 GLN B 356 4.699 7.252 13.255 1.00 0.00 H new ATOM 0 HE22 GLN B 356 5.552 5.790 13.761 1.00 0.00 H new ATOM 1285 N GLU B 357 -0.851 3.707 10.844 1.00 0.00 N ATOM 1286 CA GLU B 357 -1.928 2.715 10.778 1.00 0.00 C ATOM 1287 C GLU B 357 -1.669 1.741 9.643 1.00 0.00 C ATOM 1288 O GLU B 357 -1.896 0.539 9.770 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.290 3.370 10.522 1.00 0.00 C ATOM 1290 CG GLU B 357 -3.860 4.211 11.652 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.069 3.445 12.953 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -3.882 2.207 12.969 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -4.438 4.088 13.959 1.00 0.00 O ATOM 0 H GLU B 357 -1.117 4.648 10.555 1.00 0.00 H new ATOM 0 HA GLU B 357 -1.947 2.203 11.740 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.205 4.000 9.637 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.008 2.584 10.286 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.190 5.050 11.840 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -4.814 4.631 11.333 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.205 2.287 8.527 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.918 1.499 7.340 1.00 0.00 C ATOM 1302 C VAL B 358 0.223 0.521 7.596 1.00 0.00 C ATOM 1303 O VAL B 358 0.042 -0.693 7.489 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.594 2.434 6.165 1.00 0.00 C ATOM 1305 CG1 VAL B 358 -0.285 1.658 4.899 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.758 3.392 5.955 1.00 0.00 C ATOM 0 H VAL B 358 -1.018 3.284 8.421 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.799 0.910 7.086 1.00 0.00 H new ATOM 0 HB VAL B 358 0.303 3.004 6.406 1.00 0.00 H new ATOM 0 HG11 VAL B 358 -0.061 2.354 4.091 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.576 1.011 5.070 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -1.147 1.050 4.625 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.535 4.059 5.122 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.661 2.824 5.733 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.913 3.980 6.859 1.00 0.00 H new ATOM 1316 N TYR B 359 1.384 1.052 7.972 1.00 0.00 N ATOM 1317 CA TYR B 359 2.542 0.220 8.287 1.00 0.00 C ATOM 1318 C TYR B 359 2.196 -0.781 9.391 1.00 0.00 C ATOM 1319 O TYR B 359 2.682 -1.912 9.393 1.00 0.00 O ATOM 1320 CB TYR B 359 3.718 1.093 8.742 1.00 0.00 C ATOM 1321 CG TYR B 359 4.956 0.302 9.107 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.747 -0.283 8.127 1.00 0.00 C ATOM 1323 CD2 TYR B 359 5.320 0.131 10.437 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.871 -1.014 8.461 1.00 0.00 C ATOM 1325 CE2 TYR B 359 6.444 -0.597 10.778 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.216 -1.168 9.787 1.00 0.00 C ATOM 1327 OH TYR B 359 8.336 -1.895 10.126 1.00 0.00 O ATOM 0 H TYR B 359 1.548 2.054 8.066 1.00 0.00 H new ATOM 0 HA TYR B 359 2.825 -0.324 7.386 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.967 1.795 7.946 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.408 1.685 9.603 1.00 0.00 H new ATOM 0 HD1 TYR B 359 5.479 -0.165 7.087 1.00 0.00 H new ATOM 0 HD2 TYR B 359 4.716 0.573 11.215 1.00 0.00 H new ATOM 0 HE1 TYR B 359 7.476 -1.463 7.687 1.00 0.00 H new ATOM 0 HE2 TYR B 359 6.717 -0.719 11.816 1.00 0.00 H new ATOM 0 HH TYR B 359 8.437 -1.905 11.101 1.00 0.00 H new ATOM 1337 N ALA B 360 1.360 -0.337 10.337 1.00 0.00 N ATOM 1338 CA ALA B 360 0.949 -1.172 11.469 1.00 0.00 C ATOM 1339 C ALA B 360 0.171 -2.413 11.035 1.00 0.00 C ATOM 1340 O ALA B 360 0.514 -3.527 11.425 1.00 0.00 O ATOM 1341 CB ALA B 360 0.127 -0.359 12.457 1.00 0.00 C ATOM 0 H ALA B 360 0.954 0.599 10.340 1.00 0.00 H new ATOM 0 HA ALA B 360 1.862 -1.519 11.952 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.170 -0.994 13.292 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.724 0.474 12.829 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.763 0.027 11.959 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.889 -2.211 10.251 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.735 -3.317 9.793 1.00 0.00 C ATOM 1349 C GLN B 361 -0.979 -4.269 8.865 1.00 0.00 C ATOM 1350 O GLN B 361 -1.135 -5.486 8.969 1.00 0.00 O ATOM 1351 CB GLN B 361 -2.977 -2.776 9.080 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.865 -1.910 9.962 1.00 0.00 C ATOM 1353 CD GLN B 361 -5.040 -1.321 9.203 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -5.912 -2.047 8.723 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -5.067 0.003 9.081 1.00 0.00 N ATOM 0 H GLN B 361 -1.183 -1.292 9.919 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.037 -3.881 10.676 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.662 -2.193 8.214 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.562 -3.615 8.704 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.237 -2.507 10.795 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.271 -1.102 10.389 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -4.325 0.568 9.494 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -5.830 0.453 8.575 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.151 -3.719 7.976 1.00 0.00 N ATOM 1365 CA VAL B 362 0.632 -4.546 7.058 1.00 0.00 C ATOM 1366 C VAL B 362 1.643 -5.382 7.841 1.00 0.00 C ATOM 1367 O VAL B 362 1.827 -6.568 7.563 1.00 0.00 O ATOM 1368 CB VAL B 362 1.366 -3.691 5.999 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.248 -4.561 5.116 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.366 -2.915 5.154 1.00 0.00 C ATOM 0 H VAL B 362 -0.006 -2.715 7.872 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.061 -5.204 6.533 1.00 0.00 H new ATOM 0 HB VAL B 362 2.005 -2.979 6.521 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.754 -3.937 4.379 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.990 -5.069 5.731 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.633 -5.301 4.604 1.00 0.00 H new ATOM 0 HG21 VAL B 362 0.900 -2.319 4.414 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.300 -3.613 4.646 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.220 -2.257 5.796 1.00 0.00 H new ATOM 1380 N ALA B 363 2.276 -4.756 8.839 1.00 0.00 N ATOM 1381 CA ALA B 363 3.245 -5.440 9.693 1.00 0.00 C ATOM 1382 C ALA B 363 2.636 -6.693 10.329 1.00 0.00 C ATOM 1383 O ALA B 363 3.321 -7.702 10.508 1.00 0.00 O ATOM 1384 CB ALA B 363 3.764 -4.497 10.770 1.00 0.00 C ATOM 0 H ALA B 363 2.132 -3.774 9.073 1.00 0.00 H new ATOM 0 HA ALA B 363 4.081 -5.753 9.068 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.484 -5.022 11.397 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.248 -3.640 10.301 1.00 0.00 H new ATOM 0 HB3 ALA B 363 2.932 -4.153 11.384 1.00 0.00 H new ATOM 1390 N ARG B 364 1.339 -6.618 10.662 1.00 0.00 N ATOM 1391 CA ARG B 364 0.627 -7.742 11.271 1.00 0.00 C ATOM 1392 C ARG B 364 0.519 -8.899 10.283 1.00 0.00 C ATOM 1393 O ARG B 364 0.644 -10.062 10.660 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.779 -7.311 11.712 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.797 -6.097 12.629 1.00 0.00 C ATOM 1396 CD ARG B 364 -0.111 -6.373 13.959 1.00 0.00 C ATOM 1397 NE ARG B 364 0.025 -5.160 14.770 1.00 0.00 N ATOM 1398 CZ ARG B 364 -1.002 -4.461 15.266 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -2.256 -4.873 15.091 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -0.770 -3.347 15.954 1.00 0.00 N ATOM 0 H ARG B 364 0.764 -5.788 10.518 1.00 0.00 H new ATOM 0 HA ARG B 364 1.190 -8.069 12.145 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.375 -7.093 10.826 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.260 -8.146 12.222 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -0.303 -5.262 12.133 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -1.829 -5.795 12.810 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -0.682 -7.117 14.514 1.00 0.00 H new ATOM 0 HD3 ARG B 364 0.875 -6.799 13.776 1.00 0.00 H new ATOM 0 HE ARG B 364 0.968 -4.826 14.970 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -2.443 -5.732 14.573 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -3.029 -4.330 15.475 1.00 0.00 H new ATOM 0 HH21 ARG B 364 0.188 -3.029 16.102 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -1.550 -2.811 16.334 1.00 0.00 H new ATOM 1414 N LEU B 365 0.283 -8.566 9.016 1.00 0.00 N ATOM 1415 CA LEU B 365 0.161 -9.564 7.962 1.00 0.00 C ATOM 1416 C LEU B 365 1.476 -10.312 7.736 1.00 0.00 C ATOM 1417 O LEU B 365 1.495 -11.541 7.645 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.269 -8.903 6.643 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.563 -8.091 6.697 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -1.895 -7.507 5.329 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.714 -8.940 7.217 1.00 0.00 C ATOM 0 H LEU B 365 0.172 -7.604 8.695 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.596 -10.279 8.284 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.535 -8.248 6.308 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.382 -9.681 5.888 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.413 -7.263 7.390 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.820 -6.934 5.393 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -1.085 -6.854 5.006 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -2.018 -8.316 4.608 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.624 -8.341 7.246 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.863 -9.794 6.557 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.480 -9.294 8.221 1.00 0.00 H new ATOM 1433 N PHE B 366 2.564 -9.550 7.585 1.00 0.00 N ATOM 1434 CA PHE B 366 3.882 -10.116 7.297 1.00 0.00 C ATOM 1435 C PHE B 366 4.680 -10.486 8.553 1.00 0.00 C ATOM 1436 O PHE B 366 5.864 -10.154 8.657 1.00 0.00 O ATOM 1437 CB PHE B 366 4.670 -9.113 6.455 1.00 0.00 C ATOM 1438 CG PHE B 366 3.998 -8.722 5.160 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.719 -9.168 4.849 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.646 -7.897 4.258 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.107 -8.800 3.671 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.037 -7.527 3.077 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.765 -7.980 2.783 1.00 0.00 C ATOM 0 H PHE B 366 2.555 -8.533 7.658 1.00 0.00 H new ATOM 0 HA PHE B 366 3.725 -11.049 6.756 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.841 -8.214 7.048 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.649 -9.536 6.229 1.00 0.00 H new ATOM 0 HD1 PHE B 366 2.197 -9.813 5.541 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.640 -7.539 4.481 1.00 0.00 H new ATOM 0 HE1 PHE B 366 1.112 -9.154 3.445 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.555 -6.883 2.382 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.288 -7.691 1.858 1.00 0.00 H new ATOM 1453 N LYS B 367 4.047 -11.187 9.493 1.00 0.00 N ATOM 1454 CA LYS B 367 4.727 -11.613 10.722 1.00 0.00 C ATOM 1455 C LYS B 367 6.033 -12.356 10.417 1.00 0.00 C ATOM 1456 O LYS B 367 7.116 -11.900 10.790 1.00 0.00 O ATOM 1457 CB LYS B 367 3.810 -12.493 11.576 1.00 0.00 C ATOM 1458 CG LYS B 367 2.580 -11.761 12.083 1.00 0.00 C ATOM 1459 CD LYS B 367 1.714 -12.640 12.971 1.00 0.00 C ATOM 1460 CE LYS B 367 1.149 -13.828 12.206 1.00 0.00 C ATOM 1461 NZ LYS B 367 0.286 -14.686 13.067 1.00 0.00 N ATOM 0 H LYS B 367 3.070 -11.472 9.431 1.00 0.00 H new ATOM 0 HA LYS B 367 4.974 -10.712 11.283 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.495 -13.356 10.989 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.374 -12.875 12.427 1.00 0.00 H new ATOM 0 HG2 LYS B 367 2.889 -10.877 12.641 1.00 0.00 H new ATOM 0 HG3 LYS B 367 1.991 -11.413 11.235 1.00 0.00 H new ATOM 0 HD2 LYS B 367 2.304 -12.998 13.815 1.00 0.00 H new ATOM 0 HD3 LYS B 367 0.896 -12.049 13.381 1.00 0.00 H new ATOM 0 HE2 LYS B 367 0.570 -13.469 11.355 1.00 0.00 H new ATOM 0 HE3 LYS B 367 1.969 -14.424 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 -0.079 -15.484 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 0.844 -15.050 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 -0.511 -14.124 13.429 1.00 0.00 H new ATOM 1475 N ASN B 368 5.918 -13.511 9.750 1.00 0.00 N ATOM 1476 CA ASN B 368 7.086 -14.334 9.409 1.00 0.00 C ATOM 1477 C ASN B 368 7.772 -13.899 8.099 1.00 0.00 C ATOM 1478 O ASN B 368 8.541 -14.670 7.522 1.00 0.00 O ATOM 1479 CB ASN B 368 6.686 -15.814 9.333 1.00 0.00 C ATOM 1480 CG ASN B 368 5.659 -16.098 8.248 1.00 0.00 C ATOM 1481 OD1 ASN B 368 5.952 -15.989 7.058 1.00 0.00 O ATOM 1482 ND2 ASN B 368 4.445 -16.456 8.655 1.00 0.00 N ATOM 0 H ASN B 368 5.028 -13.897 9.435 1.00 0.00 H new ATOM 0 HA ASN B 368 7.815 -14.189 10.206 1.00 0.00 H new ATOM 0 HB2 ASN B 368 7.576 -16.416 9.149 1.00 0.00 H new ATOM 0 HB3 ASN B 368 6.284 -16.126 10.297 1.00 0.00 H new ATOM 0 HD21 ASN B 368 3.715 -16.652 7.970 1.00 0.00 H new ATOM 0 HD22 ASN B 368 4.244 -16.535 9.652 1.00 0.00 H new ATOM 1489 N GLN B 369 7.510 -12.672 7.641 1.00 0.00 N ATOM 1490 CA GLN B 369 8.131 -12.164 6.414 1.00 0.00 C ATOM 1491 C GLN B 369 8.479 -10.679 6.540 1.00 0.00 C ATOM 1492 O GLN B 369 8.137 -9.869 5.672 1.00 0.00 O ATOM 1493 CB GLN B 369 7.235 -12.403 5.187 1.00 0.00 C ATOM 1494 CG GLN B 369 5.755 -12.155 5.435 1.00 0.00 C ATOM 1495 CD GLN B 369 4.992 -13.433 5.742 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.368 -13.492 6.913 1.00 0.00 O flip ATOM 1497 NE2 GLN B 369 4.961 -14.358 4.929 1.00 0.00 N flip ATOM 0 H GLN B 369 6.877 -12.016 8.097 1.00 0.00 H new ATOM 0 HA GLN B 369 9.057 -12.721 6.270 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.569 -11.756 4.376 1.00 0.00 H new ATOM 0 HB3 GLN B 369 7.368 -13.431 4.849 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.641 -11.460 6.267 1.00 0.00 H new ATOM 0 HG3 GLN B 369 5.318 -11.677 4.558 1.00 0.00 H new ATOM 0 HE21 GLN B 369 5.454 -14.273 4.040 1.00 0.00 H new ATOM 0 HE22 GLN B 369 4.442 -15.209 5.145 1.00 0.00 H new ATOM 1506 N GLU B 370 9.179 -10.338 7.626 1.00 0.00 N ATOM 1507 CA GLU B 370 9.612 -8.959 7.888 1.00 0.00 C ATOM 1508 C GLU B 370 10.353 -8.343 6.689 1.00 0.00 C ATOM 1509 O GLU B 370 10.455 -7.121 6.584 1.00 0.00 O ATOM 1510 CB GLU B 370 10.494 -8.905 9.137 1.00 0.00 C ATOM 1511 CG GLU B 370 9.765 -9.314 10.410 1.00 0.00 C ATOM 1512 CD GLU B 370 10.646 -9.246 11.642 1.00 0.00 C ATOM 1513 OE1 GLU B 370 11.125 -8.140 11.974 1.00 0.00 O ATOM 1514 OE2 GLU B 370 10.858 -10.300 12.278 1.00 0.00 O ATOM 0 H GLU B 370 9.461 -11.004 8.345 1.00 0.00 H new ATOM 0 HA GLU B 370 8.713 -8.366 8.055 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.354 -9.559 8.994 1.00 0.00 H new ATOM 0 HB3 GLU B 370 10.879 -7.893 9.257 1.00 0.00 H new ATOM 0 HG2 GLU B 370 8.900 -8.666 10.552 1.00 0.00 H new ATOM 0 HG3 GLU B 370 9.387 -10.330 10.296 1.00 0.00 H new ATOM 1521 N ASP B 371 10.870 -9.191 5.793 1.00 0.00 N ATOM 1522 CA ASP B 371 11.594 -8.721 4.613 1.00 0.00 C ATOM 1523 C ASP B 371 10.675 -7.946 3.681 1.00 0.00 C ATOM 1524 O ASP B 371 10.926 -6.774 3.401 1.00 0.00 O ATOM 1525 CB ASP B 371 12.233 -9.888 3.859 1.00 0.00 C ATOM 1526 CG ASP B 371 11.266 -11.023 3.550 1.00 0.00 C ATOM 1527 OD1 ASP B 371 10.786 -11.677 4.502 1.00 0.00 O ATOM 1528 OD2 ASP B 371 10.986 -11.255 2.355 1.00 0.00 O ATOM 0 H ASP B 371 10.799 -10.206 5.865 1.00 0.00 H new ATOM 0 HA ASP B 371 12.384 -8.054 4.959 1.00 0.00 H new ATOM 0 HB2 ASP B 371 12.654 -9.517 2.924 1.00 0.00 H new ATOM 0 HB3 ASP B 371 13.062 -10.280 4.449 1.00 0.00 H new ATOM 1533 N LEU B 372 9.594 -8.586 3.227 1.00 0.00 N ATOM 1534 CA LEU B 372 8.629 -7.915 2.362 1.00 0.00 C ATOM 1535 C LEU B 372 8.160 -6.623 3.034 1.00 0.00 C ATOM 1536 O LEU B 372 7.805 -5.657 2.362 1.00 0.00 O ATOM 1537 CB LEU B 372 7.433 -8.828 2.059 1.00 0.00 C ATOM 1538 CG LEU B 372 7.731 -10.026 1.147 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.541 -10.975 1.114 1.00 0.00 C ATOM 1540 CD2 LEU B 372 8.077 -9.557 -0.266 1.00 0.00 C ATOM 0 H LEU B 372 9.369 -9.557 3.443 1.00 0.00 H new ATOM 0 HA LEU B 372 9.111 -7.676 1.414 1.00 0.00 H new ATOM 0 HB2 LEU B 372 7.035 -9.202 3.002 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.648 -8.229 1.598 1.00 0.00 H new ATOM 0 HG LEU B 372 8.592 -10.559 1.551 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.767 -11.820 0.463 1.00 0.00 H new ATOM 0 HD12 LEU B 372 6.337 -11.338 2.121 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.666 -10.448 0.734 1.00 0.00 H new ATOM 0 HD21 LEU B 372 8.285 -10.422 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU B 372 7.237 -9.000 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.957 -8.914 -0.231 1.00 0.00 H new ATOM 1552 N LEU B 373 8.198 -6.612 4.372 1.00 0.00 N ATOM 1553 CA LEU B 373 7.808 -5.432 5.149 1.00 0.00 C ATOM 1554 C LEU B 373 8.823 -4.309 4.968 1.00 0.00 C ATOM 1555 O LEU B 373 8.450 -3.150 4.795 1.00 0.00 O ATOM 1556 CB LEU B 373 7.658 -5.769 6.634 1.00 0.00 C ATOM 1557 CG LEU B 373 6.307 -6.360 7.032 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.307 -6.752 8.503 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.188 -5.368 6.745 1.00 0.00 C ATOM 0 H LEU B 373 8.495 -7.407 4.938 1.00 0.00 H new ATOM 0 HA LEU B 373 6.840 -5.097 4.776 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.441 -6.474 6.911 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.826 -4.862 7.215 1.00 0.00 H new ATOM 0 HG LEU B 373 6.135 -7.257 6.438 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.336 -7.171 8.768 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.084 -7.495 8.681 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.501 -5.871 9.114 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.232 -5.804 7.034 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.357 -4.454 7.315 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.173 -5.134 5.680 1.00 0.00 H new ATOM 1571 N SER B 374 10.107 -4.672 4.996 1.00 0.00 N ATOM 1572 CA SER B 374 11.187 -3.707 4.817 1.00 0.00 C ATOM 1573 C SER B 374 10.956 -2.880 3.551 1.00 0.00 C ATOM 1574 O SER B 374 11.136 -1.663 3.554 1.00 0.00 O ATOM 1575 CB SER B 374 12.536 -4.431 4.748 1.00 0.00 C ATOM 1576 OG SER B 374 12.854 -5.032 5.992 1.00 0.00 O ATOM 0 H SER B 374 10.422 -5.631 5.142 1.00 0.00 H new ATOM 0 HA SER B 374 11.199 -3.031 5.672 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.504 -5.193 3.969 1.00 0.00 H new ATOM 0 HB3 SER B 374 13.318 -3.724 4.471 1.00 0.00 H new ATOM 0 HG SER B 374 12.166 -5.691 6.222 1.00 0.00 H new ATOM 1582 N GLU B 375 10.531 -3.558 2.479 1.00 0.00 N ATOM 1583 CA GLU B 375 10.242 -2.903 1.203 1.00 0.00 C ATOM 1584 C GLU B 375 9.064 -1.936 1.367 1.00 0.00 C ATOM 1585 O GLU B 375 9.121 -0.788 0.934 1.00 0.00 O ATOM 1586 CB GLU B 375 9.900 -3.961 0.144 1.00 0.00 C ATOM 1587 CG GLU B 375 10.272 -3.589 -1.291 1.00 0.00 C ATOM 1588 CD GLU B 375 9.720 -2.248 -1.745 1.00 0.00 C ATOM 1589 OE1 GLU B 375 10.304 -1.207 -1.381 1.00 0.00 O ATOM 1590 OE2 GLU B 375 8.703 -2.240 -2.469 1.00 0.00 O ATOM 0 H GLU B 375 10.379 -4.567 2.473 1.00 0.00 H new ATOM 0 HA GLU B 375 11.121 -2.343 0.883 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.407 -4.890 0.405 1.00 0.00 H new ATOM 0 HB3 GLU B 375 8.829 -4.160 0.185 1.00 0.00 H new ATOM 0 HG2 GLU B 375 11.358 -3.572 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU B 375 9.908 -4.366 -1.963 1.00 0.00 H new ATOM 1597 N PHE B 376 7.996 -2.420 2.007 1.00 0.00 N ATOM 1598 CA PHE B 376 6.795 -1.619 2.244 1.00 0.00 C ATOM 1599 C PHE B 376 7.132 -0.270 2.885 1.00 0.00 C ATOM 1600 O PHE B 376 6.644 0.773 2.446 1.00 0.00 O ATOM 1601 CB PHE B 376 5.821 -2.389 3.142 1.00 0.00 C ATOM 1602 CG PHE B 376 4.496 -1.708 3.321 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.714 -1.392 2.223 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.029 -1.391 4.587 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.492 -0.770 2.382 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.808 -0.768 4.751 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.039 -0.458 3.647 1.00 0.00 C ATOM 0 H PHE B 376 7.940 -3.371 2.372 1.00 0.00 H new ATOM 0 HA PHE B 376 6.330 -1.425 1.277 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.656 -3.379 2.718 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.280 -2.534 4.120 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.064 -1.635 1.231 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.626 -1.634 5.454 1.00 0.00 H new ATOM 0 HE1 PHE B 376 1.892 -0.528 1.517 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.455 -0.523 5.742 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.083 0.029 3.774 1.00 0.00 H new ATOM 1617 N GLY B 377 7.965 -0.302 3.930 1.00 0.00 N ATOM 1618 CA GLY B 377 8.351 0.920 4.624 1.00 0.00 C ATOM 1619 C GLY B 377 9.286 1.822 3.825 1.00 0.00 C ATOM 1620 O GLY B 377 9.600 2.928 4.270 1.00 0.00 O ATOM 0 H GLY B 377 8.379 -1.154 4.307 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.451 1.481 4.877 1.00 0.00 H new ATOM 0 HA3 GLY B 377 8.836 0.654 5.563 1.00 0.00 H new ATOM 1624 N GLN B 378 9.738 1.366 2.650 1.00 0.00 N ATOM 1625 CA GLN B 378 10.642 2.161 1.814 1.00 0.00 C ATOM 1626 C GLN B 378 9.936 3.376 1.217 1.00 0.00 C ATOM 1627 O GLN B 378 10.556 4.424 1.025 1.00 0.00 O ATOM 1628 CB GLN B 378 11.239 1.313 0.685 1.00 0.00 C ATOM 1629 CG GLN B 378 12.097 0.151 1.167 1.00 0.00 C ATOM 1630 CD GLN B 378 13.310 0.599 1.964 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.180 1.179 3.043 1.00 0.00 O ATOM 1632 NE2 GLN B 378 14.501 0.332 1.436 1.00 0.00 N ATOM 0 H GLN B 378 9.493 0.456 2.260 1.00 0.00 H new ATOM 0 HA GLN B 378 11.445 2.510 2.463 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.428 0.921 0.071 1.00 0.00 H new ATOM 0 HB3 GLN B 378 11.843 1.955 0.043 1.00 0.00 H new ATOM 0 HG2 GLN B 378 11.489 -0.511 1.783 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.429 -0.430 0.306 1.00 0.00 H new ATOM 0 HE21 GLN B 378 14.565 -0.151 0.540 1.00 0.00 H new ATOM 0 HE22 GLN B 378 15.351 0.610 1.927 1.00 0.00 H new ATOM 1641 N PHE B 379 8.641 3.241 0.931 1.00 0.00 N ATOM 1642 CA PHE B 379 7.870 4.340 0.362 1.00 0.00 C ATOM 1643 C PHE B 379 7.257 5.173 1.478 1.00 0.00 C ATOM 1644 O PHE B 379 7.393 6.398 1.505 1.00 0.00 O ATOM 1645 CB PHE B 379 6.746 3.807 -0.535 1.00 0.00 C ATOM 1646 CG PHE B 379 7.186 2.789 -1.552 1.00 0.00 C ATOM 1647 CD1 PHE B 379 8.064 3.129 -2.569 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.711 1.489 -1.488 1.00 0.00 C ATOM 1649 CE1 PHE B 379 8.459 2.190 -3.503 1.00 0.00 C ATOM 1650 CE2 PHE B 379 7.102 0.547 -2.417 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.977 0.897 -3.427 1.00 0.00 C ATOM 0 H PHE B 379 8.108 2.385 1.084 1.00 0.00 H new ATOM 0 HA PHE B 379 8.543 4.954 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.976 3.362 0.095 1.00 0.00 H new ATOM 0 HB3 PHE B 379 6.286 4.646 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE B 379 8.443 4.138 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.026 1.210 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE B 379 9.144 2.466 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE B 379 6.724 -0.463 -2.355 1.00 0.00 H new ATOM 0 HZ PHE B 379 8.284 0.162 -4.156 1.00 0.00 H new ATOM 1661 N LEU B 380 6.569 4.488 2.388 1.00 0.00 N ATOM 1662 CA LEU B 380 5.906 5.137 3.509 1.00 0.00 C ATOM 1663 C LEU B 380 6.769 5.137 4.772 1.00 0.00 C ATOM 1664 O LEU B 380 7.250 4.088 5.204 1.00 0.00 O ATOM 1665 CB LEU B 380 4.559 4.456 3.772 1.00 0.00 C ATOM 1666 CG LEU B 380 4.605 3.006 4.204 1.00 0.00 C ATOM 1667 CD1 LEU B 380 4.746 2.900 5.717 1.00 0.00 C ATOM 1668 CD2 LEU B 380 3.371 2.265 3.713 1.00 0.00 C ATOM 0 H LEU B 380 6.457 3.474 2.367 1.00 0.00 H new ATOM 0 HA LEU B 380 5.741 6.181 3.243 1.00 0.00 H new ATOM 0 HB2 LEU B 380 4.035 5.024 4.541 1.00 0.00 H new ATOM 0 HB3 LEU B 380 3.961 4.522 2.863 1.00 0.00 H new ATOM 0 HG LEU B 380 5.480 2.537 3.754 1.00 0.00 H new ATOM 0 HD11 LEU B 380 4.777 1.850 6.007 1.00 0.00 H new ATOM 0 HD12 LEU B 380 5.667 3.391 6.032 1.00 0.00 H new ATOM 0 HD13 LEU B 380 3.895 3.384 6.197 1.00 0.00 H new ATOM 0 HD21 LEU B 380 3.421 1.224 4.032 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.478 2.730 4.129 1.00 0.00 H new ATOM 0 HD23 LEU B 380 3.329 2.309 2.625 1.00 0.00 H new