USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 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 :FLIP amide:sc= -0.14 F(o=-6.1,f=-2.7) USER MOD Set 1.2: B 369 GLN :FLIP amide:sc= -2.57! C(o=-4!,f=-2.7!) USER MOD Set 2.1: B 333 HIS : no HD1:sc= -5.53! C(o=-8.8!,f=-9.8!) USER MOD Set 2.2: B 336 GLN :FLIP amide:sc= -3.31! C(o=-10!,f=-8.8!) USER MOD Set 3.1: B 312 ASN : amide:sc=-0.00886 X(o=-0.057,f=-0.4) USER MOD Set 3.2: B 316 ASN :FLIP amide:sc= -0.0478 F(o=-1.1,f=-0.057) USER MOD Set 4.1: B 306 HIS : no HE2:sc= -0.452 X(o=-0.55,f=-0.88) USER MOD Set 4.2: B 378 GLN : amide:sc= -0.102 K(o=-0.55,f=-1.5) USER MOD Set 5.1: B 305 ASN : amide:sc= -0.0502 X(o=-0.1,f=-0.17) USER MOD Set 5.2: B 309 ASN : amide:sc= -0.0508 X(o=-0.1,f=-0.078) USER MOD Single : A 10 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.0805 (180deg=-0.538) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 310 TYR OH : rot 30:sc= -1.45! USER MOD Single : B 313 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 315 LYS NZ :NH3+ 147:sc= 0.0353 (180deg=-0.455) USER MOD Single : B 319 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.024) USER MOD Single : B 321 GLN :FLIP amide:sc= -0.316 F(o=-1.7,f=-0.32) USER MOD Single : B 325 TYR OH : rot 180:sc= -1.74! USER MOD Single : B 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 334 THR OG1 : rot 54:sc= 1.26 USER MOD Single : B 335 TYR OH : rot -109:sc= 0.0785 USER MOD Single : B 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 354 THR OG1 : rot 180:sc= -0.147 USER MOD Single : B 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.9!) USER MOD Single : B 367 LYS NZ :NH3+ 169:sc= -0.0201 (180deg=-0.143) USER MOD Single : B 374 SER OG : rot 62:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 1.299 5.060 -1.652 1.00 0.00 N ATOM 59 CA ILE A 9 0.304 4.013 -1.386 1.00 0.00 C ATOM 60 C ILE A 9 -0.611 3.718 -2.562 1.00 0.00 C ATOM 61 O ILE A 9 -0.710 2.571 -2.994 1.00 0.00 O ATOM 62 CB ILE A 9 -0.602 4.333 -0.180 1.00 0.00 C ATOM 63 CG1 ILE A 9 -0.999 5.810 -0.127 1.00 0.00 C ATOM 64 CG2 ILE A 9 0.068 3.920 1.104 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.190 6.060 0.763 1.00 0.00 C ATOM 0 HA ILE A 9 0.921 3.139 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.520 3.759 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.153 6.397 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.224 6.158 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.584 4.153 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.265 2.848 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.008 4.460 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.427 7.124 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.046 5.497 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.959 5.740 1.779 1.00 0.00 H new ATOM 77 N GLN A 10 -1.306 4.739 -3.054 1.00 0.00 N ATOM 78 CA GLN A 10 -2.237 4.549 -4.152 1.00 0.00 C ATOM 79 C GLN A 10 -1.515 3.985 -5.375 1.00 0.00 C ATOM 80 O GLN A 10 -2.059 3.163 -6.112 1.00 0.00 O ATOM 81 CB GLN A 10 -2.939 5.866 -4.500 1.00 0.00 C ATOM 82 CG GLN A 10 -3.720 6.467 -3.338 1.00 0.00 C ATOM 83 CD GLN A 10 -4.361 7.799 -3.686 1.00 0.00 C ATOM 84 OE1 GLN A 10 -3.674 8.754 -4.047 1.00 0.00 O ATOM 85 NE2 GLN A 10 -5.683 7.872 -3.573 1.00 0.00 N ATOM 0 H GLN A 10 -1.241 5.697 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.995 3.831 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.194 6.587 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.619 5.696 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.495 5.767 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.051 6.602 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.215 7.056 -3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.166 8.744 -3.789 1.00 0.00 H new ATOM 94 N MET A 11 -0.274 4.429 -5.554 1.00 0.00 N ATOM 95 CA MET A 11 0.579 3.987 -6.647 1.00 0.00 C ATOM 96 C MET A 11 0.835 2.480 -6.548 1.00 0.00 C ATOM 97 O MET A 11 0.856 1.772 -7.556 1.00 0.00 O ATOM 98 CB MET A 11 1.906 4.758 -6.586 1.00 0.00 C ATOM 99 CG MET A 11 2.887 4.388 -7.689 1.00 0.00 C ATOM 100 SD MET A 11 4.492 5.190 -7.504 1.00 0.00 S ATOM 101 CE MET A 11 5.104 4.404 -6.015 1.00 0.00 C ATOM 0 H MET A 11 0.169 5.111 -4.938 1.00 0.00 H new ATOM 0 HA MET A 11 0.084 4.185 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.697 5.826 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.376 4.576 -5.620 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.026 3.307 -7.696 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.460 4.661 -8.654 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.187 4.513 -5.965 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.651 4.875 -5.143 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.847 3.345 -6.031 1.00 0.00 H new ATOM 111 N LEU A 12 1.022 2.007 -5.315 1.00 0.00 N ATOM 112 CA LEU A 12 1.272 0.601 -5.037 1.00 0.00 C ATOM 113 C LEU A 12 -0.034 -0.206 -5.022 1.00 0.00 C ATOM 114 O LEU A 12 -0.085 -1.311 -5.560 1.00 0.00 O ATOM 115 CB LEU A 12 2.033 0.503 -3.713 1.00 0.00 C ATOM 116 CG LEU A 12 1.882 -0.796 -2.929 1.00 0.00 C ATOM 117 CD1 LEU A 12 2.707 -1.899 -3.561 1.00 0.00 C ATOM 118 CD2 LEU A 12 2.288 -0.592 -1.477 1.00 0.00 C ATOM 0 H LEU A 12 1.003 2.594 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 12 1.880 0.165 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.093 0.655 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.711 1.325 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 12 0.834 -1.093 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.586 -2.818 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.371 -2.064 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.758 -1.610 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.174 -1.529 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.328 -0.270 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.653 0.170 -1.025 1.00 0.00 H new ATOM 130 N LEU A 13 -1.092 0.357 -4.427 1.00 0.00 N ATOM 131 CA LEU A 13 -2.403 -0.312 -4.381 1.00 0.00 C ATOM 132 C LEU A 13 -2.886 -0.657 -5.786 1.00 0.00 C ATOM 133 O LEU A 13 -3.210 -1.812 -6.068 1.00 0.00 O ATOM 134 CB LEU A 13 -3.440 0.593 -3.710 1.00 0.00 C ATOM 135 CG LEU A 13 -3.304 0.746 -2.200 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.043 1.988 -1.720 1.00 0.00 C ATOM 137 CD2 LEU A 13 -3.842 -0.494 -1.506 1.00 0.00 C ATOM 0 H LEU A 13 -1.069 1.270 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.287 -1.230 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.380 1.582 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.433 0.201 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.249 0.861 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.935 2.081 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.624 2.870 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.100 1.903 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.742 -0.379 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.893 -0.626 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.277 -1.367 -1.832 1.00 0.00 H new ATOM 149 N GLU A 14 -2.924 0.352 -6.664 1.00 0.00 N ATOM 150 CA GLU A 14 -3.355 0.155 -8.049 1.00 0.00 C ATOM 151 C GLU A 14 -2.638 -1.043 -8.666 1.00 0.00 C ATOM 152 O GLU A 14 -3.204 -1.752 -9.501 1.00 0.00 O ATOM 153 CB GLU A 14 -3.090 1.413 -8.880 1.00 0.00 C ATOM 154 CG GLU A 14 -3.981 2.589 -8.506 1.00 0.00 C ATOM 155 CD GLU A 14 -3.611 3.862 -9.244 1.00 0.00 C ATOM 156 OE1 GLU A 14 -2.483 4.361 -9.041 1.00 0.00 O ATOM 157 OE2 GLU A 14 -4.448 4.360 -10.026 1.00 0.00 O ATOM 0 H GLU A 14 -2.661 1.311 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.427 -0.041 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.047 1.705 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.235 1.179 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.019 2.337 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.913 2.764 -7.432 1.00 0.00 H new ATOM 164 N ALA A 15 -1.395 -1.274 -8.228 1.00 0.00 N ATOM 165 CA ALA A 15 -0.602 -2.398 -8.709 1.00 0.00 C ATOM 166 C ALA A 15 -1.369 -3.697 -8.562 1.00 0.00 C ATOM 167 O ALA A 15 -1.586 -4.404 -9.541 1.00 0.00 O ATOM 168 CB ALA A 15 0.704 -2.501 -7.944 1.00 0.00 C ATOM 0 H ALA A 15 -0.920 -0.692 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.388 -2.224 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.280 -3.347 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.277 -1.584 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.494 -2.647 -6.884 1.00 0.00 H new ATOM 174 N ALA A 16 -1.772 -4.005 -7.325 1.00 0.00 N ATOM 175 CA ALA A 16 -2.510 -5.227 -7.040 1.00 0.00 C ATOM 176 C ALA A 16 -3.607 -5.468 -8.068 1.00 0.00 C ATOM 177 O ALA A 16 -3.635 -6.511 -8.712 1.00 0.00 O ATOM 178 CB ALA A 16 -3.117 -5.192 -5.650 1.00 0.00 C ATOM 0 H ALA A 16 -1.596 -3.420 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.795 -6.048 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.662 -6.118 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.324 -5.085 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.802 -4.347 -5.573 1.00 0.00 H new ATOM 184 N ASP A 17 -4.503 -4.489 -8.221 1.00 0.00 N ATOM 185 CA ASP A 17 -5.604 -4.589 -9.182 1.00 0.00 C ATOM 186 C ASP A 17 -5.094 -5.030 -10.554 1.00 0.00 C ATOM 187 O ASP A 17 -5.782 -5.750 -11.278 1.00 0.00 O ATOM 188 CB ASP A 17 -6.335 -3.246 -9.307 1.00 0.00 C ATOM 189 CG ASP A 17 -6.960 -2.791 -7.999 1.00 0.00 C ATOM 190 OD1 ASP A 17 -6.206 -2.524 -7.038 1.00 0.00 O ATOM 191 OD2 ASP A 17 -8.204 -2.703 -7.937 1.00 0.00 O ATOM 0 H ASP A 17 -4.487 -3.618 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.302 -5.340 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.633 -2.487 -9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.113 -3.330 -10.066 1.00 0.00 H new ATOM 196 N TYR A 18 -3.881 -4.596 -10.897 1.00 0.00 N ATOM 197 CA TYR A 18 -3.265 -4.943 -12.172 1.00 0.00 C ATOM 198 C TYR A 18 -2.653 -6.340 -12.127 1.00 0.00 C ATOM 199 O TYR A 18 -2.913 -7.159 -13.011 1.00 0.00 O ATOM 200 CB TYR A 18 -2.209 -3.890 -12.544 1.00 0.00 C ATOM 201 CG TYR A 18 -1.495 -4.136 -13.859 1.00 0.00 C ATOM 202 CD1 TYR A 18 -0.631 -5.213 -14.020 1.00 0.00 C ATOM 203 CD2 TYR A 18 -1.682 -3.280 -14.938 1.00 0.00 C ATOM 204 CE1 TYR A 18 0.026 -5.429 -15.217 1.00 0.00 C ATOM 205 CE2 TYR A 18 -1.031 -3.491 -16.138 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.178 -4.566 -16.272 1.00 0.00 C ATOM 207 OH TYR A 18 0.476 -4.778 -17.465 1.00 0.00 O ATOM 0 H TYR A 18 -3.305 -4.000 -10.303 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.038 -4.952 -12.941 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.691 -2.913 -12.587 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.466 -3.845 -11.747 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.470 -5.892 -13.196 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.348 -2.436 -14.837 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.696 -6.270 -15.325 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.189 -2.817 -16.967 1.00 0.00 H new ATOM 0 HH TYR A 18 0.222 -4.081 -18.106 1.00 0.00 H new ATOM 217 N LEU A 19 -1.852 -6.617 -11.098 1.00 0.00 N ATOM 218 CA LEU A 19 -1.228 -7.935 -10.966 1.00 0.00 C ATOM 219 C LEU A 19 -2.294 -9.012 -10.756 1.00 0.00 C ATOM 220 O LEU A 19 -2.089 -10.170 -11.124 1.00 0.00 O ATOM 221 CB LEU A 19 -0.226 -8.001 -9.801 1.00 0.00 C ATOM 222 CG LEU A 19 0.243 -6.673 -9.202 1.00 0.00 C ATOM 223 CD1 LEU A 19 1.132 -6.944 -8.006 1.00 0.00 C ATOM 224 CD2 LEU A 19 0.982 -5.817 -10.228 1.00 0.00 C ATOM 0 H LEU A 19 -1.622 -5.958 -10.354 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.684 -8.112 -11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.676 -8.591 -9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.654 -8.546 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.638 -6.113 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.466 -5.998 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.572 -7.503 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.998 -7.526 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.298 -4.883 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.857 -6.357 -10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.319 -5.599 -11.065 1.00 0.00 H new ATOM 236 N GLU A 20 -3.431 -8.626 -10.155 1.00 0.00 N ATOM 237 CA GLU A 20 -4.522 -9.571 -9.894 1.00 0.00 C ATOM 238 C GLU A 20 -4.931 -10.327 -11.159 1.00 0.00 C ATOM 239 O GLU A 20 -5.079 -11.550 -11.133 1.00 0.00 O ATOM 240 CB GLU A 20 -5.733 -8.851 -9.292 1.00 0.00 C ATOM 241 CG GLU A 20 -5.577 -8.537 -7.810 1.00 0.00 C ATOM 242 CD GLU A 20 -6.711 -7.689 -7.264 1.00 0.00 C ATOM 243 OE1 GLU A 20 -7.875 -8.138 -7.325 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.432 -6.576 -6.769 1.00 0.00 O ATOM 0 H GLU A 20 -3.616 -7.672 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.152 -10.301 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.901 -7.922 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.620 -9.468 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.525 -9.470 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.632 -8.017 -7.651 1.00 0.00 H new ATOM 416 N PHE B 304 6.838 3.241 -9.426 1.00 0.00 N ATOM 417 CA PHE B 304 5.616 2.473 -9.655 1.00 0.00 C ATOM 418 C PHE B 304 5.939 0.985 -9.795 1.00 0.00 C ATOM 419 O PHE B 304 5.400 0.155 -9.064 1.00 0.00 O ATOM 420 CB PHE B 304 4.903 2.984 -10.915 1.00 0.00 C ATOM 421 CG PHE B 304 3.627 2.255 -11.244 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.548 2.283 -10.375 1.00 0.00 C ATOM 423 CD2 PHE B 304 3.508 1.546 -12.429 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.376 1.618 -10.681 1.00 0.00 C ATOM 425 CE2 PHE B 304 2.339 0.878 -12.739 1.00 0.00 C ATOM 426 CZ PHE B 304 1.271 0.914 -11.864 1.00 0.00 C ATOM 0 HA PHE B 304 4.955 2.603 -8.798 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.680 4.043 -10.788 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.584 2.901 -11.762 1.00 0.00 H new ATOM 0 HD1 PHE B 304 2.624 2.831 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE B 304 4.339 1.515 -13.118 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.542 1.649 -9.995 1.00 0.00 H new ATOM 0 HE2 PHE B 304 2.260 0.328 -13.665 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.356 0.393 -12.105 1.00 0.00 H new ATOM 436 N ASN B 305 6.831 0.664 -10.734 1.00 0.00 N ATOM 437 CA ASN B 305 7.243 -0.719 -10.980 1.00 0.00 C ATOM 438 C ASN B 305 7.787 -1.381 -9.707 1.00 0.00 C ATOM 439 O ASN B 305 7.593 -2.579 -9.497 1.00 0.00 O ATOM 440 CB ASN B 305 8.301 -0.759 -12.089 1.00 0.00 C ATOM 441 CG ASN B 305 8.676 -2.173 -12.491 1.00 0.00 C ATOM 442 OD1 ASN B 305 7.832 -2.945 -12.945 1.00 0.00 O ATOM 443 ND2 ASN B 305 9.948 -2.521 -12.328 1.00 0.00 N ATOM 0 H ASN B 305 7.284 1.348 -11.340 1.00 0.00 H new ATOM 0 HA ASN B 305 6.364 -1.280 -11.296 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.926 -0.225 -12.962 1.00 0.00 H new ATOM 0 HB3 ASN B 305 9.194 -0.233 -11.752 1.00 0.00 H new ATOM 0 HD21 ASN B 305 10.257 -3.459 -12.583 1.00 0.00 H new ATOM 0 HD22 ASN B 305 10.616 -1.850 -11.948 1.00 0.00 H new ATOM 450 N HIS B 306 8.463 -0.594 -8.862 1.00 0.00 N ATOM 451 CA HIS B 306 9.028 -1.104 -7.610 1.00 0.00 C ATOM 452 C HIS B 306 7.929 -1.679 -6.718 1.00 0.00 C ATOM 453 O HIS B 306 7.980 -2.850 -6.337 1.00 0.00 O ATOM 454 CB HIS B 306 9.782 0.011 -6.873 1.00 0.00 C ATOM 455 CG HIS B 306 10.451 -0.424 -5.604 1.00 0.00 C ATOM 456 ND1 HIS B 306 11.083 0.458 -4.753 1.00 0.00 N ATOM 457 CD2 HIS B 306 10.594 -1.650 -5.042 1.00 0.00 C ATOM 458 CE1 HIS B 306 11.584 -0.203 -3.726 1.00 0.00 C ATOM 459 NE2 HIS B 306 11.301 -1.483 -3.876 1.00 0.00 N ATOM 0 H HIS B 306 8.631 0.399 -9.024 1.00 0.00 H new ATOM 0 HA HIS B 306 9.730 -1.903 -7.850 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.536 0.426 -7.542 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.082 0.815 -6.643 1.00 0.00 H new ATOM 0 HD1 HIS B 306 11.153 1.466 -4.895 1.00 0.00 H new ATOM 0 HD2 HIS B 306 10.222 -2.583 -5.437 1.00 0.00 H new ATOM 0 HE1 HIS B 306 12.132 0.230 -2.903 1.00 0.00 H new ATOM 468 N ALA B 307 6.927 -0.854 -6.403 1.00 0.00 N ATOM 469 CA ALA B 307 5.806 -1.291 -5.573 1.00 0.00 C ATOM 470 C ALA B 307 5.038 -2.408 -6.267 1.00 0.00 C ATOM 471 O ALA B 307 4.648 -3.389 -5.638 1.00 0.00 O ATOM 472 CB ALA B 307 4.877 -0.127 -5.268 1.00 0.00 C ATOM 0 H ALA B 307 6.871 0.117 -6.710 1.00 0.00 H new ATOM 0 HA ALA B 307 6.205 -1.670 -4.632 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.050 -0.474 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.428 0.648 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.486 0.281 -6.200 1.00 0.00 H new ATOM 478 N ILE B 308 4.847 -2.249 -7.575 1.00 0.00 N ATOM 479 CA ILE B 308 4.151 -3.227 -8.397 1.00 0.00 C ATOM 480 C ILE B 308 4.736 -4.623 -8.216 1.00 0.00 C ATOM 481 O ILE B 308 4.056 -5.531 -7.736 1.00 0.00 O ATOM 482 CB ILE B 308 4.230 -2.798 -9.879 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.038 -1.918 -10.245 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.312 -3.997 -10.795 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.679 -0.915 -9.177 1.00 0.00 C ATOM 0 H ILE B 308 5.173 -1.433 -8.093 1.00 0.00 H new ATOM 0 HA ILE B 308 3.108 -3.266 -8.082 1.00 0.00 H new ATOM 0 HB ILE B 308 5.143 -2.218 -10.012 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.259 -1.387 -11.171 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.174 -2.553 -10.441 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.366 -3.661 -11.830 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.202 -4.578 -10.555 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.426 -4.618 -10.661 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.824 -0.325 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.426 -1.439 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.528 -0.255 -8.997 1.00 0.00 H new ATOM 497 N ASN B 309 6.001 -4.780 -8.591 1.00 0.00 N ATOM 498 CA ASN B 309 6.682 -6.058 -8.458 1.00 0.00 C ATOM 499 C ASN B 309 6.720 -6.497 -6.993 1.00 0.00 C ATOM 500 O ASN B 309 6.692 -7.693 -6.697 1.00 0.00 O ATOM 501 CB ASN B 309 8.084 -5.961 -9.051 1.00 0.00 C ATOM 502 CG ASN B 309 8.094 -6.198 -10.549 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.702 -7.265 -11.023 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.543 -5.203 -11.305 1.00 0.00 N ATOM 0 H ASN B 309 6.574 -4.036 -8.990 1.00 0.00 H new ATOM 0 HA ASN B 309 6.130 -6.818 -9.012 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.498 -4.975 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.732 -6.691 -8.566 1.00 0.00 H new ATOM 0 HD21 ASN B 309 8.572 -5.306 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN B 309 8.858 -4.335 -10.871 1.00 0.00 H new ATOM 511 N TYR B 310 6.739 -5.521 -6.078 1.00 0.00 N ATOM 512 CA TYR B 310 6.726 -5.813 -4.648 1.00 0.00 C ATOM 513 C TYR B 310 5.396 -6.465 -4.266 1.00 0.00 C ATOM 514 O TYR B 310 5.370 -7.438 -3.510 1.00 0.00 O ATOM 515 CB TYR B 310 6.955 -4.536 -3.828 1.00 0.00 C ATOM 516 CG TYR B 310 6.620 -4.686 -2.360 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.213 -5.676 -1.587 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.700 -3.842 -1.752 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.898 -5.821 -0.250 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.383 -3.977 -0.416 1.00 0.00 C ATOM 521 CZ TYR B 310 5.983 -4.969 0.331 1.00 0.00 C ATOM 522 OH TYR B 310 5.664 -5.115 1.663 1.00 0.00 O ATOM 0 H TYR B 310 6.763 -4.527 -6.305 1.00 0.00 H new ATOM 0 HA TYR B 310 7.538 -6.505 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR B 310 7.998 -4.235 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.351 -3.732 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.932 -6.343 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.225 -3.067 -2.335 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.366 -6.597 0.337 1.00 0.00 H new ATOM 0 HE2 TYR B 310 4.669 -3.309 0.042 1.00 0.00 H new ATOM 0 HH TYR B 310 6.433 -5.485 2.145 1.00 0.00 H new ATOM 532 N VAL B 311 4.293 -5.940 -4.819 1.00 0.00 N ATOM 533 CA VAL B 311 2.966 -6.496 -4.557 1.00 0.00 C ATOM 534 C VAL B 311 2.928 -7.960 -4.993 1.00 0.00 C ATOM 535 O VAL B 311 2.259 -8.778 -4.368 1.00 0.00 O ATOM 536 CB VAL B 311 1.841 -5.733 -5.296 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.472 -6.244 -4.878 1.00 0.00 C ATOM 538 CG2 VAL B 311 1.920 -4.241 -5.061 1.00 0.00 C ATOM 0 H VAL B 311 4.297 -5.136 -5.446 1.00 0.00 H new ATOM 0 HA VAL B 311 2.789 -6.400 -3.486 1.00 0.00 H new ATOM 0 HB VAL B 311 1.983 -5.917 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.301 -5.691 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.391 -7.304 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.343 -6.103 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.112 -3.745 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL B 311 1.827 -4.035 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL B 311 2.878 -3.866 -5.421 1.00 0.00 H new ATOM 548 N ASN B 312 3.668 -8.282 -6.066 1.00 0.00 N ATOM 549 CA ASN B 312 3.735 -9.652 -6.571 1.00 0.00 C ATOM 550 C ASN B 312 4.281 -10.579 -5.487 1.00 0.00 C ATOM 551 O ASN B 312 3.703 -11.630 -5.218 1.00 0.00 O ATOM 552 CB ASN B 312 4.610 -9.729 -7.827 1.00 0.00 C ATOM 553 CG ASN B 312 4.645 -11.123 -8.427 1.00 0.00 C ATOM 554 OD1 ASN B 312 3.616 -11.660 -8.836 1.00 0.00 O ATOM 555 ND2 ASN B 312 5.831 -11.720 -8.478 1.00 0.00 N ATOM 0 H ASN B 312 4.225 -7.611 -6.595 1.00 0.00 H new ATOM 0 HA ASN B 312 2.728 -9.972 -6.840 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.235 -9.026 -8.571 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.625 -9.418 -7.578 1.00 0.00 H new ATOM 0 HD21 ASN B 312 5.913 -12.659 -8.867 1.00 0.00 H new ATOM 0 HD22 ASN B 312 6.660 -11.239 -8.128 1.00 0.00 H new ATOM 562 N LYS B 313 5.379 -10.160 -4.843 1.00 0.00 N ATOM 563 CA LYS B 313 5.978 -10.935 -3.753 1.00 0.00 C ATOM 564 C LYS B 313 4.919 -11.252 -2.713 1.00 0.00 C ATOM 565 O LYS B 313 4.766 -12.389 -2.275 1.00 0.00 O ATOM 566 CB LYS B 313 7.097 -10.140 -3.071 1.00 0.00 C ATOM 567 CG LYS B 313 8.308 -9.891 -3.947 1.00 0.00 C ATOM 568 CD LYS B 313 9.330 -8.992 -3.265 1.00 0.00 C ATOM 569 CE LYS B 313 10.174 -9.762 -2.259 1.00 0.00 C ATOM 570 NZ LYS B 313 11.106 -8.870 -1.514 1.00 0.00 N ATOM 0 H LYS B 313 5.868 -9.291 -5.059 1.00 0.00 H new ATOM 0 HA LYS B 313 6.389 -11.852 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.697 -9.181 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.414 -10.676 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS B 313 8.774 -10.843 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS B 313 7.990 -9.433 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS B 313 9.979 -8.543 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS B 313 8.816 -8.175 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS B 313 9.520 -10.274 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS B 313 10.746 -10.531 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.662 -9.434 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 11.748 -8.401 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 10.560 -8.152 -0.997 1.00 0.00 H new ATOM 584 N ILE B 314 4.197 -10.207 -2.335 1.00 0.00 N ATOM 585 CA ILE B 314 3.132 -10.284 -1.353 1.00 0.00 C ATOM 586 C ILE B 314 1.985 -11.165 -1.839 1.00 0.00 C ATOM 587 O ILE B 314 1.615 -12.133 -1.177 1.00 0.00 O ATOM 588 CB ILE B 314 2.647 -8.855 -1.048 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.754 -8.123 -0.297 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.346 -8.843 -0.264 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.460 -6.674 -0.034 1.00 0.00 C ATOM 0 H ILE B 314 4.339 -9.269 -2.709 1.00 0.00 H new ATOM 0 HA ILE B 314 3.512 -10.746 -0.442 1.00 0.00 H new ATOM 0 HB ILE B 314 2.433 -8.345 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE B 314 3.928 -8.626 0.654 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.678 -8.197 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.045 -7.813 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.570 -9.347 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.488 -9.361 0.685 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.295 -6.225 0.504 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.317 -6.154 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.554 -6.590 0.567 1.00 0.00 H new ATOM 603 N LYS B 315 1.444 -10.834 -3.005 1.00 0.00 N ATOM 604 CA LYS B 315 0.354 -11.599 -3.599 1.00 0.00 C ATOM 605 C LYS B 315 0.726 -13.082 -3.696 1.00 0.00 C ATOM 606 O LYS B 315 -0.069 -13.956 -3.346 1.00 0.00 O ATOM 607 CB LYS B 315 0.027 -11.031 -4.983 1.00 0.00 C ATOM 608 CG LYS B 315 -1.085 -11.751 -5.706 1.00 0.00 C ATOM 609 CD LYS B 315 -1.495 -10.976 -6.941 1.00 0.00 C ATOM 610 CE LYS B 315 -2.612 -11.674 -7.688 1.00 0.00 C ATOM 611 NZ LYS B 315 -3.871 -11.743 -6.890 1.00 0.00 N ATOM 0 H LYS B 315 1.745 -10.034 -3.562 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.528 -11.517 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS B 315 -0.246 -9.981 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS B 315 0.926 -11.066 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.757 -12.751 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.941 -11.872 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.818 -9.975 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.635 -10.857 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -2.805 -11.147 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS B 315 -2.295 -12.683 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 -4.690 -11.685 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -3.902 -12.642 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -3.900 -10.950 -6.217 1.00 0.00 H new ATOM 625 N ASN B 316 1.948 -13.348 -4.164 1.00 0.00 N ATOM 626 CA ASN B 316 2.454 -14.714 -4.303 1.00 0.00 C ATOM 627 C ASN B 316 2.697 -15.359 -2.937 1.00 0.00 C ATOM 628 O ASN B 316 2.233 -16.471 -2.680 1.00 0.00 O ATOM 629 CB ASN B 316 3.751 -14.719 -5.124 1.00 0.00 C ATOM 630 CG ASN B 316 3.559 -14.343 -6.593 1.00 0.00 C ATOM 631 OD1 ASN B 316 2.316 -14.120 -7.025 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 4.532 -14.260 -7.341 1.00 0.00 N flip ATOM 0 H ASN B 316 2.609 -12.628 -4.455 1.00 0.00 H new ATOM 0 HA ASN B 316 1.697 -15.299 -4.824 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.458 -14.024 -4.671 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.200 -15.711 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN B 316 5.469 -14.437 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN B 316 4.401 -14.015 -8.322 1.00 0.00 H new ATOM 639 N ARG B 317 3.427 -14.655 -2.065 1.00 0.00 N ATOM 640 CA ARG B 317 3.733 -15.157 -0.723 1.00 0.00 C ATOM 641 C ARG B 317 2.449 -15.490 0.036 1.00 0.00 C ATOM 642 O ARG B 317 2.365 -16.519 0.707 1.00 0.00 O ATOM 643 CB ARG B 317 4.558 -14.130 0.062 1.00 0.00 C ATOM 644 CG ARG B 317 5.066 -14.641 1.403 1.00 0.00 C ATOM 645 CD ARG B 317 5.988 -15.841 1.230 1.00 0.00 C ATOM 646 NE ARG B 317 6.528 -16.313 2.506 1.00 0.00 N ATOM 647 CZ ARG B 317 7.350 -17.360 2.627 1.00 0.00 C ATOM 648 NH1 ARG B 317 7.725 -18.053 1.555 1.00 0.00 N ATOM 649 NH2 ARG B 317 7.798 -17.714 3.826 1.00 0.00 N ATOM 0 H ARG B 317 3.817 -13.734 -2.266 1.00 0.00 H new ATOM 0 HA ARG B 317 4.320 -16.069 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG B 317 5.410 -13.823 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG B 317 3.949 -13.242 0.230 1.00 0.00 H new ATOM 0 HG2 ARG B 317 5.599 -13.843 1.919 1.00 0.00 H new ATOM 0 HG3 ARG B 317 4.220 -14.918 2.032 1.00 0.00 H new ATOM 0 HD2 ARG B 317 5.441 -16.651 0.747 1.00 0.00 H new ATOM 0 HD3 ARG B 317 6.810 -15.572 0.567 1.00 0.00 H new ATOM 0 HE ARG B 317 6.261 -15.813 3.354 1.00 0.00 H new ATOM 0 HH11 ARG B 317 7.385 -17.787 0.631 1.00 0.00 H new ATOM 0 HH12 ARG B 317 8.353 -18.851 1.657 1.00 0.00 H new ATOM 0 HH21 ARG B 317 7.515 -17.187 4.652 1.00 0.00 H new ATOM 0 HH22 ARG B 317 8.425 -18.513 3.921 1.00 0.00 H new ATOM 663 N PHE B 318 1.445 -14.619 -0.093 1.00 0.00 N ATOM 664 CA PHE B 318 0.156 -14.827 0.562 1.00 0.00 C ATOM 665 C PHE B 318 -0.843 -15.417 -0.438 1.00 0.00 C ATOM 666 O PHE B 318 -2.017 -15.040 -0.457 1.00 0.00 O ATOM 667 CB PHE B 318 -0.373 -13.505 1.146 1.00 0.00 C ATOM 668 CG PHE B 318 0.676 -12.702 1.856 1.00 0.00 C ATOM 669 CD1 PHE B 318 1.382 -13.236 2.918 1.00 0.00 C ATOM 670 CD2 PHE B 318 0.958 -11.415 1.453 1.00 0.00 C ATOM 671 CE1 PHE B 318 2.355 -12.493 3.561 1.00 0.00 C ATOM 672 CE2 PHE B 318 1.925 -10.669 2.091 1.00 0.00 C ATOM 673 CZ PHE B 318 2.626 -11.205 3.143 1.00 0.00 C ATOM 0 H PHE B 318 1.502 -13.764 -0.646 1.00 0.00 H new ATOM 0 HA PHE B 318 0.285 -15.530 1.385 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.795 -12.904 0.340 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -1.184 -13.723 1.840 1.00 0.00 H new ATOM 0 HD1 PHE B 318 1.172 -14.242 3.248 1.00 0.00 H new ATOM 0 HD2 PHE B 318 0.413 -10.985 0.625 1.00 0.00 H new ATOM 0 HE1 PHE B 318 2.902 -12.919 4.389 1.00 0.00 H new ATOM 0 HE2 PHE B 318 2.132 -9.661 1.763 1.00 0.00 H new ATOM 0 HZ PHE B 318 3.386 -10.622 3.641 1.00 0.00 H new ATOM 683 N GLN B 319 -0.353 -16.344 -1.275 1.00 0.00 N ATOM 684 CA GLN B 319 -1.172 -17.003 -2.294 1.00 0.00 C ATOM 685 C GLN B 319 -2.492 -17.494 -1.704 1.00 0.00 C ATOM 686 O GLN B 319 -3.566 -17.186 -2.222 1.00 0.00 O ATOM 687 CB GLN B 319 -0.405 -18.179 -2.907 1.00 0.00 C ATOM 688 CG GLN B 319 -0.521 -18.263 -4.420 1.00 0.00 C ATOM 689 CD GLN B 319 -1.959 -18.350 -4.899 1.00 0.00 C ATOM 690 OE1 GLN B 319 -2.683 -19.285 -4.558 1.00 0.00 O ATOM 691 NE2 GLN B 319 -2.381 -17.371 -5.692 1.00 0.00 N ATOM 0 H GLN B 319 0.619 -16.654 -1.262 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.395 -16.274 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN B 319 0.648 -18.095 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -0.773 -19.108 -2.471 1.00 0.00 H new ATOM 0 HG2 GLN B 319 -0.048 -17.388 -4.865 1.00 0.00 H new ATOM 0 HG3 GLN B 319 0.028 -19.136 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN B 319 -1.747 -16.615 -5.950 1.00 0.00 H new ATOM 0 HE22 GLN B 319 -3.339 -17.376 -6.043 1.00 0.00 H new ATOM 700 N GLY B 320 -2.399 -18.246 -0.603 1.00 0.00 N ATOM 701 CA GLY B 320 -3.586 -18.754 0.059 1.00 0.00 C ATOM 702 C GLY B 320 -3.978 -17.893 1.244 1.00 0.00 C ATOM 703 O GLY B 320 -4.480 -18.399 2.249 1.00 0.00 O ATOM 0 H GLY B 320 -1.519 -18.510 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -4.411 -18.792 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -3.407 -19.775 0.395 1.00 0.00 H new ATOM 707 N GLN B 321 -3.738 -16.586 1.123 1.00 0.00 N ATOM 708 CA GLN B 321 -4.050 -15.639 2.181 1.00 0.00 C ATOM 709 C GLN B 321 -4.799 -14.431 1.630 1.00 0.00 C ATOM 710 O GLN B 321 -4.267 -13.318 1.600 1.00 0.00 O ATOM 711 CB GLN B 321 -2.766 -15.166 2.860 1.00 0.00 C ATOM 712 CG GLN B 321 -2.100 -16.197 3.748 1.00 0.00 C ATOM 713 CD GLN B 321 -2.980 -16.703 4.888 1.00 0.00 C ATOM 714 OE1 GLN B 321 -4.052 -15.978 5.212 1.00 0.00 O flip ATOM 715 NE2 GLN B 321 -2.679 -17.729 5.497 1.00 0.00 N flip ATOM 0 H GLN B 321 -3.325 -16.162 0.293 1.00 0.00 H new ATOM 0 HA GLN B 321 -4.685 -16.147 2.907 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -2.058 -14.857 2.091 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.992 -14.283 3.458 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -1.795 -17.045 3.135 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -1.192 -15.765 4.169 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -1.852 -18.260 5.224 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -3.256 -18.048 6.275 1.00 0.00 H new ATOM 724 N PRO B 322 -6.058 -14.626 1.204 1.00 0.00 N ATOM 725 CA PRO B 322 -6.881 -13.534 0.683 1.00 0.00 C ATOM 726 C PRO B 322 -7.082 -12.441 1.732 1.00 0.00 C ATOM 727 O PRO B 322 -7.328 -11.284 1.394 1.00 0.00 O ATOM 728 CB PRO B 322 -8.216 -14.209 0.339 1.00 0.00 C ATOM 729 CG PRO B 322 -8.220 -15.483 1.114 1.00 0.00 C ATOM 730 CD PRO B 322 -6.784 -15.907 1.222 1.00 0.00 C ATOM 0 HA PRO B 322 -6.422 -13.041 -0.174 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -9.060 -13.577 0.616 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -8.297 -14.399 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.659 -15.338 2.101 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.815 -16.245 0.610 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -6.596 -16.465 2.139 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -6.489 -16.550 0.392 1.00 0.00 H new ATOM 738 N ASP B 323 -6.957 -12.821 3.011 1.00 0.00 N ATOM 739 CA ASP B 323 -7.104 -11.884 4.116 1.00 0.00 C ATOM 740 C ASP B 323 -5.943 -10.896 4.153 1.00 0.00 C ATOM 741 O ASP B 323 -6.130 -9.729 4.486 1.00 0.00 O ATOM 742 CB ASP B 323 -7.195 -12.636 5.448 1.00 0.00 C ATOM 743 CG ASP B 323 -8.374 -13.591 5.499 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.527 -13.119 5.404 1.00 0.00 O ATOM 745 OD2 ASP B 323 -8.143 -14.811 5.629 1.00 0.00 O ATOM 0 H ASP B 323 -6.753 -13.778 3.299 1.00 0.00 H new ATOM 0 HA ASP B 323 -8.027 -11.325 3.961 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.273 -13.194 5.610 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.279 -11.916 6.262 1.00 0.00 H new ATOM 750 N ILE B 324 -4.741 -11.373 3.814 1.00 0.00 N ATOM 751 CA ILE B 324 -3.551 -10.531 3.817 1.00 0.00 C ATOM 752 C ILE B 324 -3.562 -9.555 2.658 1.00 0.00 C ATOM 753 O ILE B 324 -3.368 -8.355 2.841 1.00 0.00 O ATOM 754 CB ILE B 324 -2.271 -11.359 3.713 1.00 0.00 C ATOM 755 CG1 ILE B 324 -2.222 -12.381 4.845 1.00 0.00 C ATOM 756 CG2 ILE B 324 -1.057 -10.430 3.729 1.00 0.00 C ATOM 757 CD1 ILE B 324 -1.014 -13.266 4.772 1.00 0.00 C ATOM 0 H ILE B 324 -4.571 -12.339 3.535 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.567 -9.992 4.764 1.00 0.00 H new ATOM 0 HB ILE B 324 -2.258 -11.909 2.772 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -2.228 -11.858 5.802 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -3.121 -12.996 4.813 1.00 0.00 H new ATOM 0 HG21 ILE B 324 -0.145 -11.022 3.655 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -1.113 -9.743 2.885 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -1.046 -9.862 4.659 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -1.031 -13.973 5.601 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -1.020 -13.812 3.829 1.00 0.00 H new ATOM 0 HD13 ILE B 324 -0.112 -12.657 4.833 1.00 0.00 H new ATOM 769 N TYR B 325 -3.770 -10.091 1.464 1.00 0.00 N ATOM 770 CA TYR B 325 -3.785 -9.277 0.256 1.00 0.00 C ATOM 771 C TYR B 325 -4.894 -8.229 0.340 1.00 0.00 C ATOM 772 O TYR B 325 -4.648 -7.043 0.115 1.00 0.00 O ATOM 773 CB TYR B 325 -3.982 -10.169 -0.971 1.00 0.00 C ATOM 774 CG TYR B 325 -3.430 -9.580 -2.248 1.00 0.00 C ATOM 775 CD1 TYR B 325 -2.096 -9.196 -2.339 1.00 0.00 C ATOM 776 CD2 TYR B 325 -4.238 -9.427 -3.367 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.587 -8.674 -3.520 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.738 -8.906 -4.541 1.00 0.00 C ATOM 779 CZ TYR B 325 -2.417 -8.533 -4.613 1.00 0.00 C ATOM 780 OH TYR B 325 -1.919 -8.027 -5.788 1.00 0.00 O ATOM 0 H TYR B 325 -3.931 -11.086 1.305 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.830 -8.761 0.163 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.504 -11.132 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -5.047 -10.362 -1.101 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.449 -9.305 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -5.276 -9.721 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.550 -8.381 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -4.381 -8.791 -5.401 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.633 -7.994 -6.459 1.00 0.00 H new ATOM 790 N LYS B 326 -6.104 -8.665 0.697 1.00 0.00 N ATOM 791 CA LYS B 326 -7.234 -7.749 0.848 1.00 0.00 C ATOM 792 C LYS B 326 -6.957 -6.729 1.951 1.00 0.00 C ATOM 793 O LYS B 326 -7.104 -5.524 1.742 1.00 0.00 O ATOM 794 CB LYS B 326 -8.523 -8.517 1.158 1.00 0.00 C ATOM 795 CG LYS B 326 -9.097 -9.259 -0.039 1.00 0.00 C ATOM 796 CD LYS B 326 -9.544 -8.291 -1.125 1.00 0.00 C ATOM 797 CE LYS B 326 -10.122 -9.021 -2.327 1.00 0.00 C ATOM 798 NZ LYS B 326 -10.578 -8.075 -3.385 1.00 0.00 N ATOM 0 H LYS B 326 -6.325 -9.643 0.886 1.00 0.00 H new ATOM 0 HA LYS B 326 -7.364 -7.220 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.326 -9.232 1.957 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.270 -7.818 1.533 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.347 -9.940 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.943 -9.868 0.279 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -10.292 -7.609 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -8.697 -7.683 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -9.369 -9.693 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -10.960 -9.640 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -10.965 -8.612 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -11.314 -7.451 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -9.773 -7.502 -3.709 1.00 0.00 H new ATOM 812 N ALA B 327 -6.548 -7.225 3.125 1.00 0.00 N ATOM 813 CA ALA B 327 -6.241 -6.363 4.267 1.00 0.00 C ATOM 814 C ALA B 327 -5.178 -5.330 3.913 1.00 0.00 C ATOM 815 O ALA B 327 -5.376 -4.137 4.123 1.00 0.00 O ATOM 816 CB ALA B 327 -5.781 -7.194 5.458 1.00 0.00 C ATOM 0 H ALA B 327 -6.423 -8.221 3.307 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.156 -5.834 4.534 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.558 -6.535 6.297 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.570 -7.889 5.743 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.885 -7.753 5.187 1.00 0.00 H new ATOM 822 N PHE B 328 -4.054 -5.802 3.370 1.00 0.00 N ATOM 823 CA PHE B 328 -2.945 -4.928 2.982 1.00 0.00 C ATOM 824 C PHE B 328 -3.442 -3.770 2.120 1.00 0.00 C ATOM 825 O PHE B 328 -3.134 -2.611 2.398 1.00 0.00 O ATOM 826 CB PHE B 328 -1.885 -5.743 2.230 1.00 0.00 C ATOM 827 CG PHE B 328 -0.636 -4.979 1.883 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.653 -3.982 0.920 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.559 -5.268 2.519 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.499 -3.290 0.601 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.714 -4.578 2.205 1.00 0.00 C ATOM 832 CZ PHE B 328 1.684 -3.589 1.243 1.00 0.00 C ATOM 0 H PHE B 328 -3.887 -6.792 3.188 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.498 -4.507 3.882 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.610 -6.605 2.837 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.327 -6.128 1.311 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.577 -3.744 0.414 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.589 -6.043 3.271 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.473 -2.515 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.639 -4.812 2.711 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.586 -3.050 0.993 1.00 0.00 H new ATOM 842 N LEU B 329 -4.223 -4.083 1.089 1.00 0.00 N ATOM 843 CA LEU B 329 -4.770 -3.050 0.213 1.00 0.00 C ATOM 844 C LEU B 329 -5.651 -2.083 1.006 1.00 0.00 C ATOM 845 O LEU B 329 -5.504 -0.866 0.890 1.00 0.00 O ATOM 846 CB LEU B 329 -5.555 -3.673 -0.945 1.00 0.00 C ATOM 847 CG LEU B 329 -4.719 -4.532 -1.901 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.584 -5.065 -3.034 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.541 -3.736 -2.452 1.00 0.00 C ATOM 0 H LEU B 329 -4.490 -5.036 0.841 1.00 0.00 H new ATOM 0 HA LEU B 329 -3.937 -2.488 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.356 -4.287 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -6.028 -2.874 -1.516 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.324 -5.380 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.974 -5.672 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.388 -5.675 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -6.010 -4.230 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.961 -4.365 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.912 -2.866 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.907 -3.408 -1.629 1.00 0.00 H new ATOM 861 N GLU B 330 -6.548 -2.632 1.832 1.00 0.00 N ATOM 862 CA GLU B 330 -7.432 -1.811 2.664 1.00 0.00 C ATOM 863 C GLU B 330 -6.618 -0.931 3.611 1.00 0.00 C ATOM 864 O GLU B 330 -7.005 0.199 3.901 1.00 0.00 O ATOM 865 CB GLU B 330 -8.391 -2.692 3.474 1.00 0.00 C ATOM 866 CG GLU B 330 -9.373 -3.487 2.621 1.00 0.00 C ATOM 867 CD GLU B 330 -10.376 -2.618 1.871 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.365 -1.379 2.054 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.180 -3.183 1.102 1.00 0.00 O ATOM 0 H GLU B 330 -6.680 -3.637 1.942 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.016 -1.173 2.001 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -7.807 -3.386 4.079 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -8.952 -2.062 4.164 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -8.814 -4.085 1.901 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -9.916 -4.183 3.261 1.00 0.00 H new ATOM 876 N ILE B 331 -5.479 -1.454 4.073 1.00 0.00 N ATOM 877 CA ILE B 331 -4.590 -0.721 4.969 1.00 0.00 C ATOM 878 C ILE B 331 -4.135 0.578 4.311 1.00 0.00 C ATOM 879 O ILE B 331 -4.296 1.664 4.872 1.00 0.00 O ATOM 880 CB ILE B 331 -3.364 -1.578 5.338 1.00 0.00 C ATOM 881 CG1 ILE B 331 -3.795 -2.749 6.217 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.301 -0.750 6.038 1.00 0.00 C ATOM 883 CD1 ILE B 331 -2.703 -3.763 6.434 1.00 0.00 C ATOM 0 H ILE B 331 -5.152 -2.391 3.837 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.139 -0.487 5.881 1.00 0.00 H new ATOM 0 HB ILE B 331 -2.927 -1.964 4.417 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.124 -2.367 7.183 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -4.653 -3.241 5.760 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.450 -1.384 6.285 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -1.975 0.055 5.380 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -2.714 -0.326 6.953 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.075 -4.569 7.067 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.390 -4.171 5.473 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -1.853 -3.284 6.919 1.00 0.00 H new ATOM 895 N LEU B 332 -3.593 0.450 3.102 1.00 0.00 N ATOM 896 CA LEU B 332 -3.136 1.601 2.328 1.00 0.00 C ATOM 897 C LEU B 332 -4.322 2.503 2.011 1.00 0.00 C ATOM 898 O LEU B 332 -4.286 3.711 2.246 1.00 0.00 O ATOM 899 CB LEU B 332 -2.488 1.136 1.023 1.00 0.00 C ATOM 900 CG LEU B 332 -1.536 -0.053 1.154 1.00 0.00 C ATOM 901 CD1 LEU B 332 -0.998 -0.453 -0.206 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.406 0.275 2.113 1.00 0.00 C ATOM 0 H LEU B 332 -3.459 -0.447 2.635 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.400 2.152 2.914 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.277 0.873 0.318 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -1.940 1.973 0.590 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.089 -0.900 1.561 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.322 -1.301 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -1.826 -0.732 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.458 0.386 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU B 332 0.262 -0.582 2.195 1.00 0.00 H new ATOM 0 HD22 LEU B 332 0.150 1.135 1.739 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -0.818 0.508 3.095 1.00 0.00 H new ATOM 914 N HIS B 333 -5.374 1.888 1.471 1.00 0.00 N ATOM 915 CA HIS B 333 -6.602 2.604 1.109 1.00 0.00 C ATOM 916 C HIS B 333 -7.190 3.375 2.298 1.00 0.00 C ATOM 917 O HIS B 333 -7.745 4.456 2.120 1.00 0.00 O ATOM 918 CB HIS B 333 -7.650 1.639 0.545 1.00 0.00 C ATOM 919 CG HIS B 333 -7.400 1.234 -0.875 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.316 2.138 -1.913 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.223 0.013 -1.428 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.099 1.489 -3.043 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.039 0.198 -2.776 1.00 0.00 N ATOM 0 H HIS B 333 -5.402 0.888 1.273 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.331 3.328 0.340 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -7.679 0.745 1.168 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -8.633 2.106 0.612 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.226 -0.933 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -6.989 1.938 -4.019 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -6.882 -0.542 -3.460 1.00 0.00 H new ATOM 932 N THR B 334 -7.054 2.842 3.514 1.00 0.00 N ATOM 933 CA THR B 334 -7.560 3.545 4.695 1.00 0.00 C ATOM 934 C THR B 334 -6.840 4.888 4.791 1.00 0.00 C ATOM 935 O THR B 334 -7.462 5.938 4.958 1.00 0.00 O ATOM 936 CB THR B 334 -7.338 2.709 5.969 1.00 0.00 C ATOM 937 OG1 THR B 334 -8.114 1.524 5.931 1.00 0.00 O ATOM 938 CG2 THR B 334 -7.686 3.435 7.255 1.00 0.00 C ATOM 0 H THR B 334 -6.608 1.945 3.706 1.00 0.00 H new ATOM 0 HA THR B 334 -8.634 3.705 4.601 1.00 0.00 H new ATOM 0 HB THR B 334 -6.269 2.494 5.977 1.00 0.00 H new ATOM 0 HG1 THR B 334 -7.927 1.037 5.101 1.00 0.00 H new ATOM 0 HG21 THR B 334 -7.502 2.778 8.105 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.069 4.329 7.347 1.00 0.00 H new ATOM 0 HG23 THR B 334 -8.738 3.721 7.238 1.00 0.00 H new ATOM 946 N TYR B 335 -5.520 4.827 4.634 1.00 0.00 N ATOM 947 CA TYR B 335 -4.656 6.002 4.646 1.00 0.00 C ATOM 948 C TYR B 335 -5.067 6.998 3.550 1.00 0.00 C ATOM 949 O TYR B 335 -5.323 8.169 3.834 1.00 0.00 O ATOM 950 CB TYR B 335 -3.208 5.533 4.463 1.00 0.00 C ATOM 951 CG TYR B 335 -2.179 6.631 4.358 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.162 7.486 3.272 1.00 0.00 C ATOM 953 CD2 TYR B 335 -1.206 6.787 5.331 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.205 8.468 3.155 1.00 0.00 C ATOM 955 CE2 TYR B 335 -0.248 7.772 5.226 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.249 8.610 4.135 1.00 0.00 C ATOM 957 OH TYR B 335 0.709 9.591 4.022 1.00 0.00 O ATOM 0 H TYR B 335 -5.016 3.951 4.494 1.00 0.00 H new ATOM 0 HA TYR B 335 -4.752 6.526 5.597 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -2.944 4.890 5.303 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.154 4.920 3.563 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -2.912 7.382 2.502 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -1.198 6.126 6.185 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.204 9.125 2.298 1.00 0.00 H new ATOM 0 HE2 TYR B 335 0.500 7.886 5.997 1.00 0.00 H new ATOM 0 HH TYR B 335 1.577 9.180 3.828 1.00 0.00 H new ATOM 967 N GLN B 336 -5.120 6.521 2.298 1.00 0.00 N ATOM 968 CA GLN B 336 -5.489 7.366 1.153 1.00 0.00 C ATOM 969 C GLN B 336 -6.876 8.000 1.312 1.00 0.00 C ATOM 970 O GLN B 336 -7.065 9.167 0.965 1.00 0.00 O ATOM 971 CB GLN B 336 -5.395 6.576 -0.159 1.00 0.00 C ATOM 972 CG GLN B 336 -6.385 5.453 -0.257 1.00 0.00 C ATOM 973 CD GLN B 336 -7.753 5.831 -0.829 1.00 0.00 C ATOM 974 OE1 GLN B 336 -7.938 7.082 -1.253 1.00 0.00 O flip ATOM 975 NE2 GLN B 336 -8.643 4.985 -0.900 1.00 0.00 N flip ATOM 0 H GLN B 336 -4.912 5.553 2.052 1.00 0.00 H new ATOM 0 HA GLN B 336 -4.771 8.186 1.120 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -5.548 7.258 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -4.388 6.171 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -5.956 4.666 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -6.530 5.031 0.738 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -8.472 4.036 -0.568 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -9.552 5.233 -1.291 1.00 0.00 H new ATOM 984 N LYS B 337 -7.845 7.230 1.822 1.00 0.00 N ATOM 985 CA LYS B 337 -9.212 7.732 2.003 1.00 0.00 C ATOM 986 C LYS B 337 -9.264 8.917 2.965 1.00 0.00 C ATOM 987 O LYS B 337 -9.889 9.927 2.660 1.00 0.00 O ATOM 988 CB LYS B 337 -10.142 6.629 2.515 1.00 0.00 C ATOM 989 CG LYS B 337 -10.455 5.548 1.492 1.00 0.00 C ATOM 990 CD LYS B 337 -11.432 4.523 2.050 1.00 0.00 C ATOM 991 CE LYS B 337 -10.882 3.839 3.295 1.00 0.00 C ATOM 992 NZ LYS B 337 -11.868 2.899 3.898 1.00 0.00 N ATOM 0 H LYS B 337 -7.709 6.263 2.115 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.550 8.066 1.022 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -9.687 6.164 3.390 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.077 7.082 2.845 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -10.876 6.004 0.596 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -9.533 5.049 1.193 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -12.375 5.013 2.291 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -11.648 3.774 1.288 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -9.973 3.295 3.038 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.604 4.594 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.453 2.455 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -12.726 3.422 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.114 2.163 3.206 1.00 0.00 H new ATOM 1006 N GLU B 338 -8.619 8.788 4.128 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.613 9.865 5.126 1.00 0.00 C ATOM 1008 C GLU B 338 -8.195 11.199 4.505 1.00 0.00 C ATOM 1009 O GLU B 338 -8.734 12.247 4.866 1.00 0.00 O ATOM 1010 CB GLU B 338 -7.712 9.504 6.311 1.00 0.00 C ATOM 1011 CG GLU B 338 -8.432 8.754 7.429 1.00 0.00 C ATOM 1012 CD GLU B 338 -9.032 7.427 6.998 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -9.955 7.428 6.154 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -8.586 6.385 7.516 1.00 0.00 O ATOM 0 H GLU B 338 -8.097 7.955 4.402 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.632 9.980 5.497 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -6.883 8.893 5.952 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -7.281 10.418 6.719 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -7.730 8.576 8.243 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -9.225 9.388 7.825 1.00 0.00 H new ATOM 1220 N LEU B 353 -5.473 8.589 9.990 1.00 0.00 N ATOM 1221 CA LEU B 353 -4.417 7.642 9.630 1.00 0.00 C ATOM 1222 C LEU B 353 -3.156 8.349 9.171 1.00 0.00 C ATOM 1223 O LEU B 353 -3.171 9.514 8.767 1.00 0.00 O ATOM 1224 CB LEU B 353 -4.824 6.713 8.481 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.007 5.241 8.831 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -6.273 5.011 9.640 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.000 4.400 7.568 1.00 0.00 C ATOM 0 HA LEU B 353 -4.241 7.069 10.541 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -5.758 7.082 8.058 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -4.069 6.787 7.698 1.00 0.00 H new ATOM 0 HG LEU B 353 -4.170 4.933 9.457 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -6.370 3.950 9.871 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -6.221 5.581 10.568 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -7.138 5.337 9.062 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.131 3.350 7.829 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -5.814 4.716 6.916 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.049 4.529 7.050 1.00 0.00 H new ATOM 1239 N THR B 354 -2.081 7.585 9.197 1.00 0.00 N ATOM 1240 CA THR B 354 -0.771 8.025 8.752 1.00 0.00 C ATOM 1241 C THR B 354 0.009 6.791 8.331 1.00 0.00 C ATOM 1242 O THR B 354 -0.497 5.672 8.459 1.00 0.00 O ATOM 1243 CB THR B 354 -0.025 8.779 9.865 1.00 0.00 C ATOM 1244 OG1 THR B 354 0.070 8.000 11.050 1.00 0.00 O ATOM 1245 CG2 THR B 354 -0.668 10.098 10.236 1.00 0.00 C ATOM 0 H THR B 354 -2.093 6.622 9.534 1.00 0.00 H new ATOM 0 HA THR B 354 -0.878 8.718 7.917 1.00 0.00 H new ATOM 0 HB THR B 354 0.963 8.975 9.449 1.00 0.00 H new ATOM 0 HG1 THR B 354 0.551 8.507 11.737 1.00 0.00 H new ATOM 0 HG21 THR B 354 -0.089 10.575 11.027 1.00 0.00 H new ATOM 0 HG22 THR B 354 -0.694 10.749 9.362 1.00 0.00 H new ATOM 0 HG23 THR B 354 -1.685 9.921 10.587 1.00 0.00 H new ATOM 1253 N GLU B 355 1.236 6.964 7.860 1.00 0.00 N ATOM 1254 CA GLU B 355 2.038 5.809 7.481 1.00 0.00 C ATOM 1255 C GLU B 355 2.126 4.838 8.666 1.00 0.00 C ATOM 1256 O GLU B 355 2.342 3.639 8.487 1.00 0.00 O ATOM 1257 CB GLU B 355 3.429 6.236 7.016 1.00 0.00 C ATOM 1258 CG GLU B 355 3.425 7.165 5.802 1.00 0.00 C ATOM 1259 CD GLU B 355 2.767 6.570 4.560 1.00 0.00 C ATOM 1260 OE1 GLU B 355 2.297 5.412 4.612 1.00 0.00 O ATOM 1261 OE2 GLU B 355 2.725 7.270 3.528 1.00 0.00 O ATOM 0 H GLU B 355 1.689 7.869 7.733 1.00 0.00 H new ATOM 0 HA GLU B 355 1.558 5.303 6.643 1.00 0.00 H new ATOM 0 HB2 GLU B 355 3.938 6.736 7.840 1.00 0.00 H new ATOM 0 HB3 GLU B 355 4.009 5.345 6.776 1.00 0.00 H new ATOM 0 HG2 GLU B 355 2.908 8.088 6.066 1.00 0.00 H new ATOM 0 HG3 GLU B 355 4.453 7.434 5.561 1.00 0.00 H new ATOM 1268 N GLN B 356 1.925 5.380 9.880 1.00 0.00 N ATOM 1269 CA GLN B 356 1.945 4.593 11.109 1.00 0.00 C ATOM 1270 C GLN B 356 0.826 3.549 11.120 1.00 0.00 C ATOM 1271 O GLN B 356 1.062 2.404 11.507 1.00 0.00 O ATOM 1272 CB GLN B 356 1.816 5.504 12.333 1.00 0.00 C ATOM 1273 CG GLN B 356 2.951 6.507 12.471 1.00 0.00 C ATOM 1274 CD GLN B 356 2.812 7.382 13.703 1.00 0.00 C ATOM 1275 OE1 GLN B 356 2.815 6.889 14.831 1.00 0.00 O ATOM 1276 NE2 GLN B 356 2.687 8.688 13.495 1.00 0.00 N ATOM 0 H GLN B 356 1.745 6.373 10.028 1.00 0.00 H new ATOM 0 HA GLN B 356 2.901 4.072 11.150 1.00 0.00 H new ATOM 0 HB2 GLN B 356 0.871 6.044 12.275 1.00 0.00 H new ATOM 0 HB3 GLN B 356 1.776 4.888 13.231 1.00 0.00 H new ATOM 0 HG2 GLN B 356 3.900 5.972 12.515 1.00 0.00 H new ATOM 0 HG3 GLN B 356 2.982 7.139 11.583 1.00 0.00 H new ATOM 0 HE21 GLN B 356 2.689 9.055 12.543 1.00 0.00 H new ATOM 0 HE22 GLN B 356 2.589 9.323 14.287 1.00 0.00 H new ATOM 1285 N GLU B 357 -0.390 3.925 10.676 1.00 0.00 N ATOM 1286 CA GLU B 357 -1.497 2.971 10.637 1.00 0.00 C ATOM 1287 C GLU B 357 -1.255 1.950 9.536 1.00 0.00 C ATOM 1288 O GLU B 357 -1.561 0.766 9.684 1.00 0.00 O ATOM 1289 CB GLU B 357 -2.822 3.678 10.351 1.00 0.00 C ATOM 1290 CG GLU B 357 -3.310 4.633 11.434 1.00 0.00 C ATOM 1291 CD GLU B 357 -3.467 3.973 12.794 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -2.444 3.572 13.387 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -4.618 3.857 13.264 1.00 0.00 O ATOM 0 H GLU B 357 -0.620 4.863 10.348 1.00 0.00 H new ATOM 0 HA GLU B 357 -1.552 2.483 11.610 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -2.721 4.235 9.420 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -3.589 2.921 10.188 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -2.608 5.463 11.520 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -4.268 5.056 11.131 1.00 0.00 H new ATOM 1300 N VAL B 358 -0.705 2.437 8.429 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.410 1.607 7.274 1.00 0.00 C ATOM 1302 C VAL B 358 0.598 0.516 7.630 1.00 0.00 C ATOM 1303 O VAL B 358 0.292 -0.673 7.538 1.00 0.00 O ATOM 1304 CB VAL B 358 0.133 2.487 6.130 1.00 0.00 C ATOM 1305 CG1 VAL B 358 0.404 1.672 4.877 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -0.842 3.622 5.846 1.00 0.00 C ATOM 0 H VAL B 358 -0.452 3.418 8.310 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.330 1.121 6.948 1.00 0.00 H new ATOM 0 HB VAL B 358 1.086 2.911 6.446 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.785 2.326 4.093 1.00 0.00 H new ATOM 0 HG12 VAL B 358 1.142 0.901 5.097 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -0.521 1.203 4.541 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -0.454 4.241 5.037 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -1.807 3.208 5.555 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -0.963 4.230 6.742 1.00 0.00 H new ATOM 1316 N TYR B 359 1.786 0.928 8.070 1.00 0.00 N ATOM 1317 CA TYR B 359 2.825 -0.015 8.477 1.00 0.00 C ATOM 1318 C TYR B 359 2.334 -0.908 9.620 1.00 0.00 C ATOM 1319 O TYR B 359 2.714 -2.074 9.711 1.00 0.00 O ATOM 1320 CB TYR B 359 4.093 0.740 8.898 1.00 0.00 C ATOM 1321 CG TYR B 359 5.252 -0.158 9.286 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.231 -0.888 10.469 1.00 0.00 C ATOM 1323 CD2 TYR B 359 6.365 -0.278 8.463 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.284 -1.710 10.820 1.00 0.00 C ATOM 1325 CE2 TYR B 359 7.423 -1.098 8.808 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.377 -1.812 9.987 1.00 0.00 C ATOM 1327 OH TYR B 359 8.428 -2.630 10.333 1.00 0.00 O ATOM 0 H TYR B 359 2.052 1.909 8.154 1.00 0.00 H new ATOM 0 HA TYR B 359 3.061 -0.652 7.624 1.00 0.00 H new ATOM 0 HB2 TYR B 359 4.407 1.385 8.078 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.853 1.389 9.740 1.00 0.00 H new ATOM 0 HD1 TYR B 359 4.376 -0.811 11.125 1.00 0.00 H new ATOM 0 HD2 TYR B 359 6.404 0.279 7.538 1.00 0.00 H new ATOM 0 HE1 TYR B 359 6.251 -2.270 11.743 1.00 0.00 H new ATOM 0 HE2 TYR B 359 8.281 -1.179 8.158 1.00 0.00 H new ATOM 0 HH TYR B 359 9.117 -2.589 9.638 1.00 0.00 H new ATOM 1337 N ALA B 360 1.495 -0.342 10.495 1.00 0.00 N ATOM 1338 CA ALA B 360 0.960 -1.074 11.645 1.00 0.00 C ATOM 1339 C ALA B 360 0.194 -2.328 11.227 1.00 0.00 C ATOM 1340 O ALA B 360 0.555 -3.438 11.619 1.00 0.00 O ATOM 1341 CB ALA B 360 0.068 -0.168 12.484 1.00 0.00 C ATOM 0 H ALA B 360 1.172 0.623 10.427 1.00 0.00 H new ATOM 0 HA ALA B 360 1.811 -1.397 12.244 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.321 -0.727 13.335 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.648 0.682 12.844 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.762 0.191 11.875 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.868 -2.146 10.441 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.687 -3.269 9.985 1.00 0.00 C ATOM 1349 C GLN B 361 -0.899 -4.201 9.059 1.00 0.00 C ATOM 1350 O GLN B 361 -1.072 -5.420 9.111 1.00 0.00 O ATOM 1351 CB GLN B 361 -2.954 -2.768 9.281 1.00 0.00 C ATOM 1352 CG GLN B 361 -4.044 -2.256 10.219 1.00 0.00 C ATOM 1353 CD GLN B 361 -3.647 -1.009 10.993 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -2.808 -1.061 11.892 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -4.250 0.123 10.646 1.00 0.00 N ATOM 0 H GLN B 361 -1.180 -1.234 10.108 1.00 0.00 H new ATOM 0 HA GLN B 361 -1.978 -3.839 10.867 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.679 -1.968 8.594 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.363 -3.579 8.678 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.941 -2.042 9.637 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -4.303 -3.045 10.926 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -4.940 0.124 9.895 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -4.023 0.991 11.131 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.029 -3.628 8.221 1.00 0.00 N ATOM 1365 CA VAL B 362 0.789 -4.422 7.300 1.00 0.00 C ATOM 1366 C VAL B 362 1.766 -5.307 8.076 1.00 0.00 C ATOM 1367 O VAL B 362 1.914 -6.491 7.774 1.00 0.00 O ATOM 1368 CB VAL B 362 1.573 -3.522 6.314 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.536 -4.346 5.470 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.617 -2.745 5.419 1.00 0.00 C ATOM 0 H VAL B 362 0.126 -2.622 8.162 1.00 0.00 H new ATOM 0 HA VAL B 362 0.111 -5.051 6.724 1.00 0.00 H new ATOM 0 HB VAL B 362 2.155 -2.811 6.900 1.00 0.00 H new ATOM 0 HG11 VAL B 362 3.074 -3.689 4.786 1.00 0.00 H new ATOM 0 HG12 VAL B 362 3.248 -4.853 6.121 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.977 -5.086 4.898 1.00 0.00 H new ATOM 0 HG21 VAL B 362 1.188 -2.119 4.734 1.00 0.00 H new ATOM 0 HG22 VAL B 362 0.005 -3.443 4.848 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.027 -2.116 6.034 1.00 0.00 H new ATOM 1380 N ALA B 363 2.419 -4.723 9.084 1.00 0.00 N ATOM 1381 CA ALA B 363 3.371 -5.453 9.922 1.00 0.00 C ATOM 1382 C ALA B 363 2.740 -6.704 10.541 1.00 0.00 C ATOM 1383 O ALA B 363 3.428 -7.700 10.775 1.00 0.00 O ATOM 1384 CB ALA B 363 3.920 -4.544 11.013 1.00 0.00 C ATOM 0 H ALA B 363 2.304 -3.742 9.340 1.00 0.00 H new ATOM 0 HA ALA B 363 4.191 -5.779 9.282 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.627 -5.100 11.629 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.427 -3.694 10.557 1.00 0.00 H new ATOM 0 HB3 ALA B 363 3.100 -4.186 11.635 1.00 0.00 H new ATOM 1390 N ARG B 364 1.428 -6.649 10.798 1.00 0.00 N ATOM 1391 CA ARG B 364 0.704 -7.778 11.383 1.00 0.00 C ATOM 1392 C ARG B 364 0.562 -8.904 10.365 1.00 0.00 C ATOM 1393 O ARG B 364 0.673 -10.078 10.703 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.674 -7.325 11.874 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.608 -6.193 12.888 1.00 0.00 C ATOM 1396 CD ARG B 364 -1.994 -5.725 13.299 1.00 0.00 C ATOM 1397 NE ARG B 364 -1.944 -4.546 14.169 1.00 0.00 N ATOM 1398 CZ ARG B 364 -1.456 -4.545 15.414 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -1.022 -5.671 15.975 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -1.416 -3.412 16.107 1.00 0.00 N ATOM 0 H ARG B 364 0.847 -5.832 10.609 1.00 0.00 H new ATOM 0 HA ARG B 364 1.272 -8.153 12.234 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.269 -7.004 11.019 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.190 -8.175 12.321 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -0.060 -6.526 13.770 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -0.052 -5.357 12.464 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.576 -5.492 12.408 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -2.511 -6.534 13.815 1.00 0.00 H new ATOM 0 HE ARG B 364 -2.306 -3.667 13.800 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -1.059 -6.547 15.455 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -0.652 -5.658 16.925 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -1.757 -2.546 15.689 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -1.044 -3.408 17.057 1.00 0.00 H new ATOM 1414 N LEU B 365 0.318 -8.528 9.114 1.00 0.00 N ATOM 1415 CA LEU B 365 0.170 -9.488 8.025 1.00 0.00 C ATOM 1416 C LEU B 365 1.481 -10.225 7.729 1.00 0.00 C ATOM 1417 O LEU B 365 1.481 -11.428 7.465 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.295 -8.767 6.754 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.633 -8.041 6.862 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -1.907 -7.229 5.608 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.758 -9.028 7.128 1.00 0.00 C ATOM 0 H LEU B 365 0.218 -7.554 8.827 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.572 -10.223 8.338 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.469 -8.044 6.468 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.362 -9.497 5.947 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.582 -7.351 7.705 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.866 -6.720 5.707 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -1.116 -6.491 5.472 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -1.936 -7.893 4.744 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.704 -8.491 7.202 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.812 -9.747 6.311 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.566 -9.555 8.063 1.00 0.00 H new ATOM 1433 N PHE B 366 2.585 -9.472 7.714 1.00 0.00 N ATOM 1434 CA PHE B 366 3.900 -10.010 7.382 1.00 0.00 C ATOM 1435 C PHE B 366 4.681 -10.526 8.598 1.00 0.00 C ATOM 1436 O PHE B 366 5.882 -10.273 8.719 1.00 0.00 O ATOM 1437 CB PHE B 366 4.685 -8.922 6.652 1.00 0.00 C ATOM 1438 CG PHE B 366 4.052 -8.502 5.350 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.714 -8.137 5.295 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.787 -8.485 4.182 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.126 -7.771 4.109 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.202 -8.112 2.987 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.866 -7.757 2.953 1.00 0.00 C ATOM 0 H PHE B 366 2.589 -8.475 7.932 1.00 0.00 H new ATOM 0 HA PHE B 366 3.757 -10.884 6.746 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.776 -8.051 7.301 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.696 -9.281 6.458 1.00 0.00 H new ATOM 0 HD1 PHE B 366 2.125 -8.141 6.200 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.830 -8.766 4.202 1.00 0.00 H new ATOM 0 HE1 PHE B 366 1.082 -7.494 4.086 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.788 -8.098 2.080 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.406 -7.469 2.019 1.00 0.00 H new ATOM 1453 N LYS B 367 4.005 -11.260 9.484 1.00 0.00 N ATOM 1454 CA LYS B 367 4.650 -11.823 10.674 1.00 0.00 C ATOM 1455 C LYS B 367 5.921 -12.607 10.320 1.00 0.00 C ATOM 1456 O LYS B 367 7.030 -12.132 10.569 1.00 0.00 O ATOM 1457 CB LYS B 367 3.669 -12.704 11.454 1.00 0.00 C ATOM 1458 CG LYS B 367 2.552 -11.907 12.104 1.00 0.00 C ATOM 1459 CD LYS B 367 1.507 -12.799 12.756 1.00 0.00 C ATOM 1460 CE LYS B 367 2.095 -13.634 13.885 1.00 0.00 C ATOM 1461 NZ LYS B 367 2.630 -12.789 14.990 1.00 0.00 N ATOM 0 H LYS B 367 3.012 -11.479 9.401 1.00 0.00 H new ATOM 0 HA LYS B 367 4.950 -10.989 11.308 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.237 -13.444 10.780 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.213 -13.253 12.223 1.00 0.00 H new ATOM 0 HG2 LYS B 367 2.975 -11.239 12.854 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.072 -11.279 11.353 1.00 0.00 H new ATOM 0 HD2 LYS B 367 0.696 -12.183 13.145 1.00 0.00 H new ATOM 0 HD3 LYS B 367 1.074 -13.459 12.004 1.00 0.00 H new ATOM 0 HE2 LYS B 367 1.328 -14.301 14.279 1.00 0.00 H new ATOM 0 HE3 LYS B 367 2.893 -14.263 13.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 2.848 -13.389 15.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 3.496 -12.309 14.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 1.920 -12.079 15.259 1.00 0.00 H new ATOM 1475 N ASN B 368 5.760 -13.811 9.751 1.00 0.00 N ATOM 1476 CA ASN B 368 6.915 -14.644 9.385 1.00 0.00 C ATOM 1477 C ASN B 368 7.489 -14.312 7.993 1.00 0.00 C ATOM 1478 O ASN B 368 8.083 -15.174 7.341 1.00 0.00 O ATOM 1479 CB ASN B 368 6.586 -16.148 9.512 1.00 0.00 C ATOM 1480 CG ASN B 368 5.456 -16.658 8.614 1.00 0.00 C ATOM 1481 OD1 ASN B 368 4.938 -15.825 7.719 1.00 0.00 O flip ATOM 1482 ND2 ASN B 368 5.058 -17.817 8.725 1.00 0.00 N flip ATOM 0 H ASN B 368 4.853 -14.226 9.536 1.00 0.00 H new ATOM 0 HA ASN B 368 7.700 -14.404 10.102 1.00 0.00 H new ATOM 0 HB2 ASN B 368 7.488 -16.718 9.290 1.00 0.00 H new ATOM 0 HB3 ASN B 368 6.324 -16.358 10.549 1.00 0.00 H new ATOM 0 HD21 ASN B 368 5.475 -18.435 9.422 1.00 0.00 H new ATOM 0 HD22 ASN B 368 4.312 -18.160 8.120 1.00 0.00 H new ATOM 1489 N GLN B 369 7.343 -13.054 7.560 1.00 0.00 N ATOM 1490 CA GLN B 369 7.880 -12.605 6.270 1.00 0.00 C ATOM 1491 C GLN B 369 8.417 -11.177 6.388 1.00 0.00 C ATOM 1492 O GLN B 369 8.103 -10.306 5.572 1.00 0.00 O ATOM 1493 CB GLN B 369 6.841 -12.697 5.137 1.00 0.00 C ATOM 1494 CG GLN B 369 5.433 -12.262 5.517 1.00 0.00 C ATOM 1495 CD GLN B 369 4.515 -13.440 5.795 1.00 0.00 C ATOM 1496 OE1 GLN B 369 3.761 -13.371 6.886 1.00 0.00 O flip ATOM 1497 NE2 GLN B 369 4.465 -14.396 5.019 1.00 0.00 N flip ATOM 0 H GLN B 369 6.856 -12.328 8.085 1.00 0.00 H new ATOM 0 HA GLN B 369 8.697 -13.277 6.009 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.181 -12.084 4.302 1.00 0.00 H new ATOM 0 HB3 GLN B 369 6.803 -13.727 4.782 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.479 -11.625 6.400 1.00 0.00 H new ATOM 0 HG3 GLN B 369 5.012 -11.660 4.712 1.00 0.00 H new ATOM 0 HE21 GLN B 369 5.060 -14.412 4.191 1.00 0.00 H new ATOM 0 HE22 GLN B 369 3.828 -15.171 5.205 1.00 0.00 H new ATOM 1506 N GLU B 370 9.238 -10.958 7.420 1.00 0.00 N ATOM 1507 CA GLU B 370 9.854 -9.654 7.686 1.00 0.00 C ATOM 1508 C GLU B 370 10.564 -9.077 6.454 1.00 0.00 C ATOM 1509 O GLU B 370 10.775 -7.865 6.371 1.00 0.00 O ATOM 1510 CB GLU B 370 10.845 -9.766 8.849 1.00 0.00 C ATOM 1511 CG GLU B 370 10.201 -10.202 10.161 1.00 0.00 C ATOM 1512 CD GLU B 370 11.194 -10.342 11.307 1.00 0.00 C ATOM 1513 OE1 GLU B 370 12.403 -10.100 11.094 1.00 0.00 O ATOM 1514 OE2 GLU B 370 10.759 -10.697 12.422 1.00 0.00 O ATOM 0 H GLU B 370 9.494 -11.679 8.094 1.00 0.00 H new ATOM 0 HA GLU B 370 9.048 -8.969 7.949 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.626 -10.479 8.583 1.00 0.00 H new ATOM 0 HB3 GLU B 370 11.331 -8.801 8.995 1.00 0.00 H new ATOM 0 HG2 GLU B 370 9.436 -9.477 10.440 1.00 0.00 H new ATOM 0 HG3 GLU B 370 9.696 -11.156 10.009 1.00 0.00 H new ATOM 1521 N ASP B 371 10.935 -9.942 5.502 1.00 0.00 N ATOM 1522 CA ASP B 371 11.622 -9.501 4.288 1.00 0.00 C ATOM 1523 C ASP B 371 10.712 -8.600 3.460 1.00 0.00 C ATOM 1524 O ASP B 371 11.077 -7.465 3.149 1.00 0.00 O ATOM 1525 CB ASP B 371 12.068 -10.708 3.455 1.00 0.00 C ATOM 1526 CG ASP B 371 13.013 -11.622 4.213 1.00 0.00 C ATOM 1527 OD1 ASP B 371 14.111 -11.162 4.592 1.00 0.00 O ATOM 1528 OD2 ASP B 371 12.653 -12.798 4.430 1.00 0.00 O ATOM 0 H ASP B 371 10.770 -10.947 5.551 1.00 0.00 H new ATOM 0 HA ASP B 371 12.506 -8.934 4.580 1.00 0.00 H new ATOM 0 HB2 ASP B 371 11.190 -11.275 3.145 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.558 -10.357 2.547 1.00 0.00 H new ATOM 1533 N LEU B 372 9.518 -9.098 3.127 1.00 0.00 N ATOM 1534 CA LEU B 372 8.550 -8.312 2.363 1.00 0.00 C ATOM 1535 C LEU B 372 8.295 -6.965 3.051 1.00 0.00 C ATOM 1536 O LEU B 372 8.147 -5.941 2.386 1.00 0.00 O ATOM 1537 CB LEU B 372 7.233 -9.079 2.192 1.00 0.00 C ATOM 1538 CG LEU B 372 7.293 -10.318 1.293 1.00 0.00 C ATOM 1539 CD1 LEU B 372 5.934 -11.009 1.251 1.00 0.00 C ATOM 1540 CD2 LEU B 372 7.748 -9.943 -0.114 1.00 0.00 C ATOM 0 H LEU B 372 9.201 -10.036 3.373 1.00 0.00 H new ATOM 0 HA LEU B 372 8.968 -8.128 1.373 1.00 0.00 H new ATOM 0 HB2 LEU B 372 6.883 -9.386 3.178 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.487 -8.396 1.787 1.00 0.00 H new ATOM 0 HG LEU B 372 8.022 -11.012 1.712 1.00 0.00 H new ATOM 0 HD11 LEU B 372 5.992 -11.887 0.608 1.00 0.00 H new ATOM 0 HD12 LEU B 372 5.650 -11.314 2.258 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.187 -10.320 0.857 1.00 0.00 H new ATOM 0 HD21 LEU B 372 7.784 -10.838 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU B 372 7.046 -9.229 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.740 -9.494 -0.068 1.00 0.00 H new ATOM 1552 N LEU B 373 8.270 -6.974 4.391 1.00 0.00 N ATOM 1553 CA LEU B 373 8.055 -5.751 5.170 1.00 0.00 C ATOM 1554 C LEU B 373 9.189 -4.753 4.948 1.00 0.00 C ATOM 1555 O LEU B 373 8.948 -3.551 4.828 1.00 0.00 O ATOM 1556 CB LEU B 373 7.933 -6.072 6.665 1.00 0.00 C ATOM 1557 CG LEU B 373 6.532 -6.465 7.138 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.559 -6.875 8.603 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.559 -5.314 6.921 1.00 0.00 C ATOM 0 H LEU B 373 8.396 -7.814 4.955 1.00 0.00 H new ATOM 0 HA LEU B 373 7.123 -5.302 4.827 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.620 -6.885 6.902 1.00 0.00 H new ATOM 0 HB3 LEU B 373 8.260 -5.202 7.234 1.00 0.00 H new ATOM 0 HG LEU B 373 6.194 -7.319 6.551 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.554 -7.151 8.922 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.227 -7.727 8.730 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.915 -6.041 9.208 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.566 -5.608 7.262 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.894 -4.443 7.485 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.520 -5.066 5.860 1.00 0.00 H new ATOM 1571 N SER B 374 10.422 -5.259 4.880 1.00 0.00 N ATOM 1572 CA SER B 374 11.590 -4.410 4.650 1.00 0.00 C ATOM 1573 C SER B 374 11.416 -3.607 3.360 1.00 0.00 C ATOM 1574 O SER B 374 11.710 -2.411 3.316 1.00 0.00 O ATOM 1575 CB SER B 374 12.861 -5.262 4.579 1.00 0.00 C ATOM 1576 OG SER B 374 13.116 -5.903 5.817 1.00 0.00 O ATOM 0 H SER B 374 10.636 -6.251 4.981 1.00 0.00 H new ATOM 0 HA SER B 374 11.684 -3.714 5.483 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.757 -6.010 3.793 1.00 0.00 H new ATOM 0 HB3 SER B 374 13.710 -4.633 4.310 1.00 0.00 H new ATOM 0 HG SER B 374 12.373 -6.505 6.033 1.00 0.00 H new ATOM 1582 N GLU B 375 10.916 -4.277 2.318 1.00 0.00 N ATOM 1583 CA GLU B 375 10.672 -3.642 1.023 1.00 0.00 C ATOM 1584 C GLU B 375 9.592 -2.559 1.148 1.00 0.00 C ATOM 1585 O GLU B 375 9.693 -1.491 0.541 1.00 0.00 O ATOM 1586 CB GLU B 375 10.222 -4.698 0.005 1.00 0.00 C ATOM 1587 CG GLU B 375 10.312 -4.248 -1.443 1.00 0.00 C ATOM 1588 CD GLU B 375 11.700 -4.430 -2.031 1.00 0.00 C ATOM 1589 OE1 GLU B 375 12.667 -3.883 -1.463 1.00 0.00 O ATOM 1590 OE2 GLU B 375 11.818 -5.124 -3.063 1.00 0.00 O ATOM 0 H GLU B 375 10.671 -5.267 2.349 1.00 0.00 H new ATOM 0 HA GLU B 375 11.598 -3.177 0.685 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.831 -5.593 0.134 1.00 0.00 H new ATOM 0 HB3 GLU B 375 9.192 -4.980 0.222 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.593 -4.811 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU B 375 10.029 -3.198 -1.510 1.00 0.00 H new ATOM 1597 N PHE B 376 8.554 -2.863 1.937 1.00 0.00 N ATOM 1598 CA PHE B 376 7.425 -1.952 2.161 1.00 0.00 C ATOM 1599 C PHE B 376 7.873 -0.569 2.641 1.00 0.00 C ATOM 1600 O PHE B 376 7.485 0.449 2.064 1.00 0.00 O ATOM 1601 CB PHE B 376 6.468 -2.561 3.191 1.00 0.00 C ATOM 1602 CG PHE B 376 5.177 -1.808 3.343 1.00 0.00 C ATOM 1603 CD1 PHE B 376 4.350 -1.602 2.251 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.789 -1.313 4.577 1.00 0.00 C ATOM 1605 CE1 PHE B 376 3.161 -0.916 2.386 1.00 0.00 C ATOM 1606 CE2 PHE B 376 3.599 -0.624 4.718 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.785 -0.426 3.620 1.00 0.00 C ATOM 0 H PHE B 376 8.473 -3.748 2.438 1.00 0.00 H new ATOM 0 HA PHE B 376 6.922 -1.820 1.203 1.00 0.00 H new ATOM 0 HB2 PHE B 376 6.246 -3.589 2.903 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.969 -2.602 4.158 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.640 -1.983 1.283 1.00 0.00 H new ATOM 0 HD2 PHE B 376 5.423 -1.467 5.438 1.00 0.00 H new ATOM 0 HE1 PHE B 376 2.525 -0.763 1.527 1.00 0.00 H new ATOM 0 HE2 PHE B 376 3.306 -0.241 5.685 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.855 0.112 3.727 1.00 0.00 H new ATOM 1617 N GLY B 377 8.665 -0.543 3.717 1.00 0.00 N ATOM 1618 CA GLY B 377 9.137 0.714 4.291 1.00 0.00 C ATOM 1619 C GLY B 377 9.791 1.664 3.291 1.00 0.00 C ATOM 1620 O GLY B 377 9.820 2.874 3.524 1.00 0.00 O ATOM 0 H GLY B 377 8.990 -1.378 4.205 1.00 0.00 H new ATOM 0 HA2 GLY B 377 8.294 1.224 4.759 1.00 0.00 H new ATOM 0 HA3 GLY B 377 9.853 0.491 5.082 1.00 0.00 H new ATOM 1624 N GLN B 378 10.321 1.133 2.185 1.00 0.00 N ATOM 1625 CA GLN B 378 10.974 1.970 1.171 1.00 0.00 C ATOM 1626 C GLN B 378 9.986 2.924 0.491 1.00 0.00 C ATOM 1627 O GLN B 378 10.389 3.957 -0.048 1.00 0.00 O ATOM 1628 CB GLN B 378 11.668 1.105 0.116 1.00 0.00 C ATOM 1629 CG GLN B 378 12.778 0.231 0.677 1.00 0.00 C ATOM 1630 CD GLN B 378 13.575 -0.463 -0.410 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.024 -1.206 -1.219 1.00 0.00 O ATOM 1632 NE2 GLN B 378 14.882 -0.222 -0.436 1.00 0.00 N ATOM 0 H GLN B 378 10.312 0.136 1.969 1.00 0.00 H new ATOM 0 HA GLN B 378 11.720 2.572 1.690 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.925 0.469 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN B 378 12.083 1.752 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN B 378 13.448 0.843 1.280 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.346 -0.518 1.341 1.00 0.00 H new ATOM 0 HE21 GLN B 378 15.299 0.402 0.255 1.00 0.00 H new ATOM 0 HE22 GLN B 378 15.467 -0.661 -1.147 1.00 0.00 H new ATOM 1641 N PHE B 379 8.696 2.581 0.521 1.00 0.00 N ATOM 1642 CA PHE B 379 7.660 3.415 -0.090 1.00 0.00 C ATOM 1643 C PHE B 379 7.118 4.429 0.919 1.00 0.00 C ATOM 1644 O PHE B 379 6.703 5.527 0.546 1.00 0.00 O ATOM 1645 CB PHE B 379 6.515 2.540 -0.609 1.00 0.00 C ATOM 1646 CG PHE B 379 6.971 1.442 -1.527 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.528 1.735 -2.760 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.850 0.115 -1.148 1.00 0.00 C ATOM 1649 CE1 PHE B 379 7.955 0.725 -3.599 1.00 0.00 C ATOM 1650 CE2 PHE B 379 7.274 -0.898 -1.982 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.828 -0.594 -3.209 1.00 0.00 C ATOM 0 H PHE B 379 8.345 1.731 0.962 1.00 0.00 H new ATOM 0 HA PHE B 379 8.106 3.956 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.991 2.100 0.239 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.797 3.169 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.630 2.765 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.419 -0.129 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE B 379 8.388 0.966 -4.559 1.00 0.00 H new ATOM 0 HE2 PHE B 379 7.173 -1.929 -1.675 1.00 0.00 H new ATOM 0 HZ PHE B 379 8.162 -1.386 -3.863 1.00 0.00 H new ATOM 1661 N LEU B 380 7.123 4.044 2.196 1.00 0.00 N ATOM 1662 CA LEU B 380 6.634 4.893 3.266 1.00 0.00 C ATOM 1663 C LEU B 380 7.492 4.694 4.527 1.00 0.00 C ATOM 1664 O LEU B 380 7.566 3.595 5.079 1.00 0.00 O ATOM 1665 CB LEU B 380 5.162 4.561 3.513 1.00 0.00 C ATOM 1666 CG LEU B 380 4.872 3.228 4.164 1.00 0.00 C ATOM 1667 CD1 LEU B 380 5.009 3.331 5.675 1.00 0.00 C ATOM 1668 CD2 LEU B 380 3.492 2.723 3.762 1.00 0.00 C ATOM 0 H LEU B 380 7.467 3.136 2.510 1.00 0.00 H new ATOM 0 HA LEU B 380 6.711 5.945 2.991 1.00 0.00 H new ATOM 0 HB2 LEU B 380 4.735 5.346 4.138 1.00 0.00 H new ATOM 0 HB3 LEU B 380 4.639 4.595 2.557 1.00 0.00 H new ATOM 0 HG LEU B 380 5.605 2.502 3.813 1.00 0.00 H new ATOM 0 HD11 LEU B 380 4.797 2.362 6.126 1.00 0.00 H new ATOM 0 HD12 LEU B 380 6.025 3.635 5.928 1.00 0.00 H new ATOM 0 HD13 LEU B 380 4.304 4.071 6.055 1.00 0.00 H new ATOM 0 HD21 LEU B 380 3.302 1.762 4.241 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.735 3.441 4.078 1.00 0.00 H new ATOM 0 HD23 LEU B 380 3.449 2.603 2.679 1.00 0.00 H new