USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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 Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.21 K(o=-1.2,f=-7!) USER MOD Single : A 72 ASN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 552 SER OG : rot 180:sc= 0 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 558 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.52) USER MOD Single : B 559 LYS NZ :NH3+ 130:sc= -0.449 (180deg=-1.05) USER MOD Single : B 560 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : B 561 MET CE :methyl 132:sc= -2.6 (180deg=-3.86!) USER MOD Single : B 571 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.2) USER MOD Single : B 573 MET CE :methyl -141:sc= -6.38! (180deg=-11.7!) USER MOD Single : B 574 HIS : no HD1:sc= -7.63! C(o=-7.6!,f=-5.9!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -1.77! USER MOD Single : B 580 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.15) USER MOD Single : B 582 THR OG1 : rot 172:sc= -0.762 USER MOD Single : B 584 MET CE :methyl 166:sc= -8.31! (180deg=-9.65!) USER MOD Single : B 590 ASN : amide:sc= -4.4! C(o=-4.4!,f=-9.7!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 596 MET CE :methyl -163:sc= -2.44 (180deg=-3.08) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -157:sc= -0.458 (180deg=-0.565) USER MOD Single : B 615 GLN : amide:sc= -0.404 K(o=-0.4,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 6.959 -1.892 -9.701 1.00 0.00 N ATOM 67 CA GLN A 68 7.036 -0.640 -10.444 1.00 0.00 C ATOM 68 C GLN A 68 5.699 0.094 -10.413 1.00 0.00 C ATOM 69 O GLN A 68 4.637 -0.530 -10.387 1.00 0.00 O ATOM 70 CB GLN A 68 7.452 -0.906 -11.892 1.00 0.00 C ATOM 71 CG GLN A 68 7.602 0.357 -12.724 1.00 0.00 C ATOM 72 CD GLN A 68 8.111 0.077 -14.124 1.00 0.00 C ATOM 73 OE1 GLN A 68 7.484 -0.655 -14.890 1.00 0.00 O ATOM 74 NE2 GLN A 68 9.255 0.659 -14.466 1.00 0.00 N ATOM 0 HA GLN A 68 7.787 -0.010 -9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.398 -1.448 -11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.711 -1.554 -12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.639 0.863 -12.786 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.288 1.039 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.742 1.258 -13.799 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.647 0.507 -15.395 1.00 0.00 H new ATOM 83 N LEU A 69 5.758 1.421 -10.416 1.00 0.00 N ATOM 84 CA LEU A 69 4.552 2.241 -10.388 1.00 0.00 C ATOM 85 C LEU A 69 4.434 3.079 -11.657 1.00 0.00 C ATOM 86 O LEU A 69 5.293 3.018 -12.535 1.00 0.00 O ATOM 87 CB LEU A 69 4.560 3.152 -9.160 1.00 0.00 C ATOM 88 CG LEU A 69 5.855 3.924 -8.905 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.928 5.154 -9.796 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.961 4.318 -7.439 1.00 0.00 C ATOM 0 H LEU A 69 6.628 1.952 -10.438 1.00 0.00 H new ATOM 0 HA LEU A 69 3.691 1.575 -10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.746 3.870 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.343 2.545 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 69 6.696 3.275 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.856 5.691 -9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.899 4.848 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.081 5.807 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.889 4.867 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.114 4.949 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.956 3.421 -6.820 1.00 0.00 H new ATOM 102 N ASN A 70 3.364 3.863 -11.745 1.00 0.00 N ATOM 103 CA ASN A 70 3.134 4.715 -12.906 1.00 0.00 C ATOM 104 C ASN A 70 3.630 6.134 -12.645 1.00 0.00 C ATOM 105 O ASN A 70 3.390 6.701 -11.579 1.00 0.00 O ATOM 106 CB ASN A 70 1.646 4.740 -13.259 1.00 0.00 C ATOM 107 CG ASN A 70 1.318 5.786 -14.307 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.997 5.893 -15.328 1.00 0.00 O ATOM 109 ND2 ASN A 70 0.272 6.565 -14.057 1.00 0.00 N ATOM 0 H ASN A 70 2.643 3.926 -11.026 1.00 0.00 H new ATOM 0 HA ASN A 70 3.693 4.302 -13.746 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.345 3.758 -13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.065 4.937 -12.358 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.003 7.288 -14.725 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.263 6.441 -13.197 1.00 0.00 H new ATOM 116 N VAL A 71 4.323 6.703 -13.627 1.00 0.00 N ATOM 117 CA VAL A 71 4.851 8.056 -13.506 1.00 0.00 C ATOM 118 C VAL A 71 3.834 9.088 -13.981 1.00 0.00 C ATOM 119 O VAL A 71 3.913 10.262 -13.623 1.00 0.00 O ATOM 120 CB VAL A 71 6.152 8.225 -14.312 1.00 0.00 C ATOM 121 CG1 VAL A 71 5.924 7.875 -15.775 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.686 9.642 -14.172 1.00 0.00 C ATOM 0 H VAL A 71 4.532 6.247 -14.515 1.00 0.00 H new ATOM 0 HA VAL A 71 5.063 8.219 -12.449 1.00 0.00 H new ATOM 0 HB VAL A 71 6.898 7.539 -13.911 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.855 8.001 -16.328 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.592 6.840 -15.854 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.162 8.534 -16.192 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.606 9.743 -14.748 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.945 10.349 -14.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.891 9.852 -13.122 1.00 0.00 H new ATOM 132 N ASN A 72 2.879 8.640 -14.789 1.00 0.00 N ATOM 133 CA ASN A 72 1.845 9.525 -15.314 1.00 0.00 C ATOM 134 C ASN A 72 0.872 9.938 -14.214 1.00 0.00 C ATOM 135 O ASN A 72 0.101 10.883 -14.376 1.00 0.00 O ATOM 136 CB ASN A 72 1.086 8.838 -16.451 1.00 0.00 C ATOM 137 CG ASN A 72 1.710 9.104 -17.807 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.097 9.729 -18.673 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.935 8.629 -17.998 1.00 0.00 N ATOM 0 H ASN A 72 2.799 7.670 -15.095 1.00 0.00 H new ATOM 0 HA ASN A 72 2.330 10.421 -15.700 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.061 7.763 -16.270 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.053 9.184 -16.456 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.406 8.777 -18.891 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.405 8.117 -17.252 1.00 0.00 H new ATOM 146 N ALA A 73 0.915 9.223 -13.095 1.00 0.00 N ATOM 147 CA ALA A 73 0.040 9.516 -11.967 1.00 0.00 C ATOM 148 C ALA A 73 0.107 10.992 -11.589 1.00 0.00 C ATOM 149 O ALA A 73 1.173 11.511 -11.259 1.00 0.00 O ATOM 150 CB ALA A 73 0.408 8.647 -10.773 1.00 0.00 C ATOM 0 H ALA A 73 1.547 8.436 -12.945 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.984 9.290 -12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.254 8.877 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.302 7.596 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.440 8.845 -10.483 1.00 0.00 H new ATOM 156 N LYS A 74 -1.039 11.663 -11.642 1.00 0.00 N ATOM 157 CA LYS A 74 -1.112 13.080 -11.305 1.00 0.00 C ATOM 158 C LYS A 74 -0.472 13.350 -9.947 1.00 0.00 C ATOM 159 O LYS A 74 -0.305 12.451 -9.122 1.00 0.00 O ATOM 160 CB LYS A 74 -2.569 13.549 -11.296 1.00 0.00 C ATOM 161 CG LYS A 74 -3.056 14.046 -12.647 1.00 0.00 C ATOM 162 CD LYS A 74 -4.432 14.681 -12.544 1.00 0.00 C ATOM 163 CE LYS A 74 -4.339 16.160 -12.203 1.00 0.00 C ATOM 164 NZ LYS A 74 -5.629 16.866 -12.442 1.00 0.00 N ATOM 0 H LYS A 74 -1.930 11.248 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.562 13.637 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.205 12.726 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.680 14.348 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.348 14.773 -13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.090 13.215 -13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.963 14.557 -13.488 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.015 14.166 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.050 16.274 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.555 16.623 -12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.525 17.872 -12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.892 16.779 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.372 16.441 -11.851 1.00 0.00 H new ATOM 178 N PRO A 75 -0.106 14.618 -9.706 1.00 0.00 N ATOM 179 CA PRO A 75 0.520 15.036 -8.448 1.00 0.00 C ATOM 180 C PRO A 75 -0.453 14.990 -7.274 1.00 0.00 C ATOM 181 O PRO A 75 -0.560 13.977 -6.583 1.00 0.00 O ATOM 182 CB PRO A 75 0.953 16.477 -8.728 1.00 0.00 C ATOM 183 CG PRO A 75 0.031 16.948 -9.800 1.00 0.00 C ATOM 184 CD PRO A 75 -0.274 15.741 -10.644 1.00 0.00 C ATOM 0 HA PRO A 75 1.341 14.378 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.870 17.096 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.993 16.522 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.881 17.367 -9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.495 17.734 -10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.285 15.779 -11.049 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.406 15.661 -11.492 1.00 0.00 H new ATOM 192 N PHE A 76 -1.160 16.094 -7.055 1.00 0.00 N ATOM 193 CA PHE A 76 -2.124 16.180 -5.964 1.00 0.00 C ATOM 194 C PHE A 76 -2.936 17.468 -6.056 1.00 0.00 C ATOM 195 O PHE A 76 -2.888 18.175 -7.063 1.00 0.00 O ATOM 196 CB PHE A 76 -1.405 16.113 -4.614 1.00 0.00 C ATOM 197 CG PHE A 76 -0.510 17.289 -4.352 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.668 17.453 -5.064 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.845 18.232 -3.394 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.494 18.535 -4.826 1.00 0.00 C ATOM 201 CE2 PHE A 76 -0.023 19.317 -3.152 1.00 0.00 C ATOM 202 CZ PHE A 76 1.148 19.467 -3.868 1.00 0.00 C ATOM 0 H PHE A 76 -1.084 16.941 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.806 15.334 -6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.148 16.048 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.812 15.199 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.944 16.726 -5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.759 18.118 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.409 18.651 -5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.296 20.046 -2.404 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.793 20.313 -3.679 1.00 0.00 H new ATOM 212 N VAL A 77 -3.683 17.767 -4.998 1.00 0.00 N ATOM 213 CA VAL A 77 -4.507 18.970 -4.959 1.00 0.00 C ATOM 214 C VAL A 77 -3.946 19.987 -3.971 1.00 0.00 C ATOM 215 O VAL A 77 -4.385 20.084 -2.825 1.00 0.00 O ATOM 216 CB VAL A 77 -5.961 18.642 -4.571 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.787 19.915 -4.471 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.574 17.675 -5.573 1.00 0.00 C ATOM 0 H VAL A 77 -3.735 17.193 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.494 19.396 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.959 18.162 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.811 19.663 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.358 20.569 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.785 20.427 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.601 17.454 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.565 18.126 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.995 16.752 -5.589 1.00 0.00 H new ATOM 228 N PRO A 78 -2.952 20.766 -4.425 1.00 0.00 N ATOM 229 CA PRO A 78 -2.310 21.791 -3.597 1.00 0.00 C ATOM 230 C PRO A 78 -3.235 22.970 -3.314 1.00 0.00 C ATOM 231 O PRO A 78 -4.386 22.985 -3.746 1.00 0.00 O ATOM 232 CB PRO A 78 -1.119 22.239 -4.449 1.00 0.00 C ATOM 233 CG PRO A 78 -1.521 21.937 -5.851 1.00 0.00 C ATOM 234 CD PRO A 78 -2.379 20.704 -5.780 1.00 0.00 C ATOM 0 HA PRO A 78 -2.030 21.407 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.915 23.301 -4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.211 21.703 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.071 22.771 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.647 21.768 -6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.155 20.710 -6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.793 19.797 -5.927 1.00 0.00 H new ATOM 424 N LEU B 550 -6.758 14.537 8.971 1.00 0.00 N ATOM 425 CA LEU B 550 -7.482 13.996 7.826 1.00 0.00 C ATOM 426 C LEU B 550 -8.735 13.253 8.276 1.00 0.00 C ATOM 427 O LEU B 550 -9.302 12.459 7.525 1.00 0.00 O ATOM 428 CB LEU B 550 -6.579 13.058 7.023 1.00 0.00 C ATOM 429 CG LEU B 550 -5.863 13.680 5.824 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.583 14.372 6.266 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.562 12.620 4.774 1.00 0.00 C ATOM 0 HA LEU B 550 -7.784 14.829 7.192 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.827 12.646 7.696 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.182 12.222 6.668 1.00 0.00 H new ATOM 0 HG LEU B 550 -6.521 14.427 5.380 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -4.087 14.809 5.399 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.823 15.159 6.981 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.920 13.645 6.735 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -5.052 13.081 3.928 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.923 11.850 5.207 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -6.494 12.169 4.434 1.00 0.00 H new ATOM 443 N ALA B 551 -9.164 13.516 9.506 1.00 0.00 N ATOM 444 CA ALA B 551 -10.353 12.875 10.055 1.00 0.00 C ATOM 445 C ALA B 551 -11.577 13.773 9.910 1.00 0.00 C ATOM 446 O ALA B 551 -12.618 13.343 9.414 1.00 0.00 O ATOM 447 CB ALA B 551 -10.131 12.514 11.516 1.00 0.00 C ATOM 0 H ALA B 551 -8.706 14.169 10.142 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.536 11.961 9.490 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -11.027 12.036 11.913 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -9.288 11.828 11.597 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.919 13.419 12.086 1.00 0.00 H new ATOM 453 N SER B 552 -11.445 15.021 10.346 1.00 0.00 N ATOM 454 CA SER B 552 -12.542 15.978 10.268 1.00 0.00 C ATOM 455 C SER B 552 -12.358 16.922 9.084 1.00 0.00 C ATOM 456 O SER B 552 -12.665 18.110 9.169 1.00 0.00 O ATOM 457 CB SER B 552 -12.637 16.783 11.566 1.00 0.00 C ATOM 458 OG SER B 552 -12.637 15.929 12.697 1.00 0.00 O ATOM 0 H SER B 552 -10.589 15.393 10.757 1.00 0.00 H new ATOM 0 HA SER B 552 -13.468 15.421 10.125 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.798 17.476 11.630 1.00 0.00 H new ATOM 0 HB3 SER B 552 -13.547 17.383 11.560 1.00 0.00 H new ATOM 0 HG SER B 552 -12.697 16.468 13.514 1.00 0.00 H new ATOM 464 N ALA B 553 -11.853 16.382 7.979 1.00 0.00 N ATOM 465 CA ALA B 553 -11.629 17.174 6.775 1.00 0.00 C ATOM 466 C ALA B 553 -12.257 16.509 5.555 1.00 0.00 C ATOM 467 O ALA B 553 -12.545 15.312 5.550 1.00 0.00 O ATOM 468 CB ALA B 553 -10.139 17.388 6.554 1.00 0.00 C ATOM 0 H ALA B 553 -11.591 15.400 7.893 1.00 0.00 H new ATOM 0 HA ALA B 553 -12.108 18.143 6.914 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.986 17.981 5.652 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.716 17.914 7.410 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.645 16.423 6.442 1.00 0.00 H new ATOM 474 N PRO B 554 -12.477 17.301 4.496 1.00 0.00 N ATOM 475 CA PRO B 554 -13.073 16.810 3.250 1.00 0.00 C ATOM 476 C PRO B 554 -12.136 15.881 2.485 1.00 0.00 C ATOM 477 O PRO B 554 -10.946 15.778 2.783 1.00 0.00 O ATOM 478 CB PRO B 554 -13.328 18.089 2.450 1.00 0.00 C ATOM 479 CG PRO B 554 -12.336 19.069 2.975 1.00 0.00 C ATOM 480 CD PRO B 554 -12.159 18.738 4.432 1.00 0.00 C ATOM 0 HA PRO B 554 -13.971 16.220 3.433 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.191 17.921 1.382 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.349 18.446 2.589 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.390 18.992 2.439 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.692 20.091 2.847 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.142 18.940 4.769 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.827 19.326 5.062 1.00 0.00 H new ATOM 488 N PRO B 555 -12.683 15.188 1.475 1.00 0.00 N ATOM 489 CA PRO B 555 -11.913 14.256 0.647 1.00 0.00 C ATOM 490 C PRO B 555 -10.914 14.973 -0.256 1.00 0.00 C ATOM 491 O PRO B 555 -10.079 14.337 -0.899 1.00 0.00 O ATOM 492 CB PRO B 555 -12.986 13.557 -0.192 1.00 0.00 C ATOM 493 CG PRO B 555 -14.115 14.527 -0.248 1.00 0.00 C ATOM 494 CD PRO B 555 -14.095 15.261 1.065 1.00 0.00 C ATOM 0 HA PRO B 555 -11.313 13.574 1.250 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.617 13.321 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -13.295 12.616 0.264 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.995 15.217 -1.083 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -15.065 14.013 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.428 16.293 0.954 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.751 14.791 1.798 1.00 0.00 H new ATOM 502 N GLN B 556 -11.007 16.298 -0.298 1.00 0.00 N ATOM 503 CA GLN B 556 -10.111 17.100 -1.123 1.00 0.00 C ATOM 504 C GLN B 556 -8.944 17.634 -0.299 1.00 0.00 C ATOM 505 O GLN B 556 -7.799 17.623 -0.748 1.00 0.00 O ATOM 506 CB GLN B 556 -10.874 18.262 -1.762 1.00 0.00 C ATOM 507 CG GLN B 556 -11.678 17.861 -2.988 1.00 0.00 C ATOM 508 CD GLN B 556 -12.040 19.045 -3.861 1.00 0.00 C ATOM 509 OE1 GLN B 556 -11.577 19.158 -4.997 1.00 0.00 O ATOM 510 NE2 GLN B 556 -12.871 19.937 -3.335 1.00 0.00 N ATOM 0 H GLN B 556 -11.693 16.839 0.229 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.713 16.460 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.547 18.694 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.165 19.041 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.105 17.144 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.590 17.356 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -13.231 19.804 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -13.150 20.755 -3.876 1.00 0.00 H new ATOM 519 N GLU B 557 -9.244 18.102 0.909 1.00 0.00 N ATOM 520 CA GLU B 557 -8.220 18.641 1.795 1.00 0.00 C ATOM 521 C GLU B 557 -7.228 17.556 2.205 1.00 0.00 C ATOM 522 O GLU B 557 -6.104 17.850 2.609 1.00 0.00 O ATOM 523 CB GLU B 557 -8.863 19.257 3.040 1.00 0.00 C ATOM 524 CG GLU B 557 -9.440 20.642 2.804 1.00 0.00 C ATOM 525 CD GLU B 557 -8.399 21.738 2.934 1.00 0.00 C ATOM 526 OE1 GLU B 557 -7.213 21.466 2.652 1.00 0.00 O ATOM 527 OE2 GLU B 557 -8.771 22.867 3.316 1.00 0.00 O ATOM 0 H GLU B 557 -10.188 18.118 1.296 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.679 19.417 1.253 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.656 18.598 3.393 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.118 19.313 3.834 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -9.882 20.682 1.809 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.244 20.823 3.518 1.00 0.00 H new ATOM 534 N GLN B 558 -7.655 16.302 2.098 1.00 0.00 N ATOM 535 CA GLN B 558 -6.806 15.173 2.459 1.00 0.00 C ATOM 536 C GLN B 558 -5.502 15.198 1.668 1.00 0.00 C ATOM 537 O GLN B 558 -4.438 15.495 2.213 1.00 0.00 O ATOM 538 CB GLN B 558 -7.541 13.855 2.210 1.00 0.00 C ATOM 539 CG GLN B 558 -8.845 13.730 2.982 1.00 0.00 C ATOM 540 CD GLN B 558 -9.037 12.353 3.585 1.00 0.00 C ATOM 541 OE1 GLN B 558 -8.704 11.340 2.968 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.576 12.307 4.798 1.00 0.00 N ATOM 0 H GLN B 558 -8.583 16.042 1.764 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.569 15.254 3.520 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.749 13.760 1.144 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.887 13.027 2.482 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.865 14.476 3.776 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.679 13.950 2.316 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.837 13.171 5.273 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.729 11.408 5.254 1.00 0.00 H new ATOM 551 N LYS B 559 -5.590 14.885 0.380 1.00 0.00 N ATOM 552 CA LYS B 559 -4.418 14.872 -0.487 1.00 0.00 C ATOM 553 C LYS B 559 -3.685 16.208 -0.430 1.00 0.00 C ATOM 554 O LYS B 559 -2.466 16.264 -0.589 1.00 0.00 O ATOM 555 CB LYS B 559 -4.828 14.565 -1.929 1.00 0.00 C ATOM 556 CG LYS B 559 -5.914 15.484 -2.462 1.00 0.00 C ATOM 557 CD LYS B 559 -6.644 14.861 -3.640 1.00 0.00 C ATOM 558 CE LYS B 559 -5.697 14.580 -4.797 1.00 0.00 C ATOM 559 NZ LYS B 559 -6.426 14.436 -6.087 1.00 0.00 N ATOM 0 H LYS B 559 -6.462 14.637 -0.087 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.744 14.092 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.951 14.642 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.176 13.534 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.626 15.706 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.472 16.432 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -7.120 13.933 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -7.438 15.530 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -4.972 15.390 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -5.135 13.668 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -5.980 15.039 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -6.391 13.444 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -7.417 14.724 -5.960 1.00 0.00 H new ATOM 573 N GLN B 560 -4.435 17.281 -0.200 1.00 0.00 N ATOM 574 CA GLN B 560 -3.855 18.616 -0.121 1.00 0.00 C ATOM 575 C GLN B 560 -2.909 18.729 1.070 1.00 0.00 C ATOM 576 O GLN B 560 -1.705 18.921 0.903 1.00 0.00 O ATOM 577 CB GLN B 560 -4.958 19.670 -0.013 1.00 0.00 C ATOM 578 CG GLN B 560 -4.448 21.098 -0.110 1.00 0.00 C ATOM 579 CD GLN B 560 -5.464 22.041 -0.723 1.00 0.00 C ATOM 580 OE1 GLN B 560 -6.079 21.730 -1.744 1.00 0.00 O ATOM 581 NE2 GLN B 560 -5.646 23.201 -0.103 1.00 0.00 N ATOM 0 H GLN B 560 -5.446 17.252 -0.065 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.284 18.791 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.690 19.500 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -5.479 19.543 0.936 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -4.183 21.453 0.886 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -3.536 21.114 -0.707 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -5.115 23.417 0.740 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -6.317 23.876 -0.470 1.00 0.00 H new ATOM 590 N MET B 561 -3.463 18.609 2.272 1.00 0.00 N ATOM 591 CA MET B 561 -2.668 18.697 3.492 1.00 0.00 C ATOM 592 C MET B 561 -1.546 17.664 3.485 1.00 0.00 C ATOM 593 O MET B 561 -0.370 18.010 3.605 1.00 0.00 O ATOM 594 CB MET B 561 -3.557 18.495 4.721 1.00 0.00 C ATOM 595 CG MET B 561 -4.640 19.551 4.869 1.00 0.00 C ATOM 596 SD MET B 561 -5.768 19.203 6.231 1.00 0.00 S ATOM 597 CE MET B 561 -6.600 17.740 5.617 1.00 0.00 C ATOM 0 H MET B 561 -4.459 18.451 2.428 1.00 0.00 H new ATOM 0 HA MET B 561 -2.222 19.691 3.535 1.00 0.00 H new ATOM 0 HB2 MET B 561 -4.025 17.512 4.663 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.933 18.499 5.615 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.174 20.524 5.028 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.207 19.617 3.940 1.00 0.00 H new ATOM 0 HE1 MET B 561 -6.614 16.976 6.395 1.00 0.00 H new ATOM 0 HE2 MET B 561 -7.623 17.993 5.338 1.00 0.00 H new ATOM 0 HE3 MET B 561 -6.070 17.359 4.744 1.00 0.00 H new ATOM 607 N LEU B 562 -1.916 16.396 3.345 1.00 0.00 N ATOM 608 CA LEU B 562 -0.941 15.312 3.323 1.00 0.00 C ATOM 609 C LEU B 562 0.173 15.602 2.322 1.00 0.00 C ATOM 610 O LEU B 562 1.344 15.690 2.689 1.00 0.00 O ATOM 611 CB LEU B 562 -1.626 13.990 2.972 1.00 0.00 C ATOM 612 CG LEU B 562 -0.722 12.758 2.925 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.481 11.521 3.382 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.166 12.557 1.523 1.00 0.00 C ATOM 0 H LEU B 562 -2.885 16.093 3.245 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.500 15.233 4.317 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.416 13.809 3.701 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.107 14.100 2.000 1.00 0.00 H new ATOM 0 HG LEU B 562 0.114 12.919 3.606 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.822 10.654 3.342 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.829 11.665 4.405 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.337 11.357 2.727 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.475 11.676 1.509 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.989 12.419 0.822 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.415 13.433 1.233 1.00 0.00 H new ATOM 626 N GLY B 563 -0.201 15.752 1.055 1.00 0.00 N ATOM 627 CA GLY B 563 0.778 16.034 0.021 1.00 0.00 C ATOM 628 C GLY B 563 1.608 17.264 0.328 1.00 0.00 C ATOM 629 O GLY B 563 2.815 17.282 0.086 1.00 0.00 O ATOM 0 H GLY B 563 -1.164 15.683 0.726 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.438 15.174 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.266 16.173 -0.931 1.00 0.00 H new ATOM 633 N GLU B 564 0.961 18.296 0.861 1.00 0.00 N ATOM 634 CA GLU B 564 1.648 19.537 1.198 1.00 0.00 C ATOM 635 C GLU B 564 2.816 19.272 2.144 1.00 0.00 C ATOM 636 O GLU B 564 3.946 19.686 1.883 1.00 0.00 O ATOM 637 CB GLU B 564 0.673 20.527 1.838 1.00 0.00 C ATOM 638 CG GLU B 564 -0.119 21.341 0.828 1.00 0.00 C ATOM 639 CD GLU B 564 -1.296 22.063 1.455 1.00 0.00 C ATOM 640 OE1 GLU B 564 -2.196 21.379 1.986 1.00 0.00 O ATOM 641 OE2 GLU B 564 -1.317 23.310 1.415 1.00 0.00 O ATOM 0 H GLU B 564 -0.038 18.297 1.069 1.00 0.00 H new ATOM 0 HA GLU B 564 2.040 19.968 0.277 1.00 0.00 H new ATOM 0 HB2 GLU B 564 -0.021 19.980 2.475 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.230 21.207 2.483 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.541 22.070 0.357 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.480 20.682 0.039 1.00 0.00 H new ATOM 648 N ARG B 565 2.534 18.580 3.243 1.00 0.00 N ATOM 649 CA ARG B 565 3.560 18.262 4.229 1.00 0.00 C ATOM 650 C ARG B 565 4.520 17.204 3.692 1.00 0.00 C ATOM 651 O ARG B 565 5.663 17.102 4.141 1.00 0.00 O ATOM 652 CB ARG B 565 2.916 17.770 5.526 1.00 0.00 C ATOM 653 CG ARG B 565 2.328 18.885 6.375 1.00 0.00 C ATOM 654 CD ARG B 565 2.521 18.616 7.859 1.00 0.00 C ATOM 655 NE ARG B 565 3.932 18.486 8.213 1.00 0.00 N ATOM 656 CZ ARG B 565 4.371 18.395 9.463 1.00 0.00 C ATOM 657 NH1 ARG B 565 3.513 18.419 10.474 1.00 0.00 N ATOM 658 NH2 ARG B 565 5.670 18.278 9.705 1.00 0.00 N ATOM 0 H ARG B 565 1.604 18.229 3.473 1.00 0.00 H new ATOM 0 HA ARG B 565 4.125 19.171 4.434 1.00 0.00 H new ATOM 0 HB2 ARG B 565 2.129 17.056 5.283 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.663 17.234 6.112 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.799 19.832 6.111 1.00 0.00 H new ATOM 0 HG3 ARG B 565 1.265 18.987 6.158 1.00 0.00 H new ATOM 0 HD2 ARG B 565 2.076 19.427 8.435 1.00 0.00 H new ATOM 0 HD3 ARG B 565 1.993 17.703 8.134 1.00 0.00 H new ATOM 0 HE ARG B 565 4.618 18.464 7.459 1.00 0.00 H new ATOM 0 HH11 ARG B 565 2.513 18.508 10.292 1.00 0.00 H new ATOM 0 HH12 ARG B 565 3.853 18.349 11.433 1.00 0.00 H new ATOM 0 HH21 ARG B 565 6.333 18.258 8.930 1.00 0.00 H new ATOM 0 HH22 ARG B 565 6.006 18.208 10.666 1.00 0.00 H new ATOM 672 N LEU B 566 4.049 16.418 2.730 1.00 0.00 N ATOM 673 CA LEU B 566 4.864 15.367 2.132 1.00 0.00 C ATOM 674 C LEU B 566 5.896 15.956 1.175 1.00 0.00 C ATOM 675 O LEU B 566 6.963 15.380 0.964 1.00 0.00 O ATOM 676 CB LEU B 566 3.977 14.365 1.391 1.00 0.00 C ATOM 677 CG LEU B 566 3.870 12.974 2.015 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.944 13.000 3.221 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.380 11.964 0.987 1.00 0.00 C ATOM 0 H LEU B 566 3.106 16.489 2.347 1.00 0.00 H new ATOM 0 HA LEU B 566 5.392 14.851 2.934 1.00 0.00 H new ATOM 0 HB2 LEU B 566 2.974 14.785 1.315 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.356 14.257 0.375 1.00 0.00 H new ATOM 0 HG LEU B 566 4.862 12.670 2.350 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.880 12.001 3.652 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.336 13.692 3.966 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.951 13.325 2.910 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.310 10.979 1.449 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.398 12.264 0.622 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.081 11.924 0.153 1.00 0.00 H new ATOM 691 N PHE B 567 5.570 17.109 0.599 1.00 0.00 N ATOM 692 CA PHE B 567 6.468 17.777 -0.335 1.00 0.00 C ATOM 693 C PHE B 567 7.878 17.875 0.241 1.00 0.00 C ATOM 694 O PHE B 567 8.846 17.375 -0.332 1.00 0.00 O ATOM 695 CB PHE B 567 5.944 19.176 -0.668 1.00 0.00 C ATOM 696 CG PHE B 567 5.786 19.421 -2.142 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.779 19.045 -3.031 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.644 20.029 -2.637 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.637 19.269 -4.387 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.496 20.256 -3.993 1.00 0.00 C ATOM 701 CZ PHE B 567 5.494 19.876 -4.868 1.00 0.00 C ATOM 0 H PHE B 567 4.691 17.599 0.763 1.00 0.00 H new ATOM 0 HA PHE B 567 6.507 17.184 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.981 19.321 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.627 19.919 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.676 18.571 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE B 567 3.861 20.329 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.419 18.970 -5.069 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.601 20.730 -4.367 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.381 20.053 -5.927 1.00 0.00 H new ATOM 711 N PRO B 568 7.997 18.534 1.403 1.00 0.00 N ATOM 712 CA PRO B 568 9.284 18.713 2.083 1.00 0.00 C ATOM 713 C PRO B 568 9.823 17.407 2.656 1.00 0.00 C ATOM 714 O PRO B 568 11.032 17.168 2.654 1.00 0.00 O ATOM 715 CB PRO B 568 8.955 19.696 3.210 1.00 0.00 C ATOM 716 CG PRO B 568 7.501 19.502 3.470 1.00 0.00 C ATOM 717 CD PRO B 568 6.886 19.155 2.143 1.00 0.00 C ATOM 0 HA PRO B 568 10.059 19.066 1.403 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.547 19.489 4.101 1.00 0.00 H new ATOM 0 HB3 PRO B 568 9.171 20.723 2.915 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.337 18.706 4.196 1.00 0.00 H new ATOM 0 HG3 PRO B 568 7.054 20.407 3.883 1.00 0.00 H new ATOM 0 HD2 PRO B 568 6.046 18.469 2.256 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.508 20.040 1.632 1.00 0.00 H new ATOM 725 N LEU B 569 8.921 16.564 3.146 1.00 0.00 N ATOM 726 CA LEU B 569 9.307 15.280 3.722 1.00 0.00 C ATOM 727 C LEU B 569 10.181 14.490 2.754 1.00 0.00 C ATOM 728 O LEU B 569 11.193 13.909 3.149 1.00 0.00 O ATOM 729 CB LEU B 569 8.063 14.467 4.083 1.00 0.00 C ATOM 730 CG LEU B 569 8.247 13.405 5.168 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.194 12.314 4.691 1.00 0.00 C ATOM 732 CD2 LEU B 569 8.762 14.037 6.452 1.00 0.00 C ATOM 0 H LEU B 569 7.917 16.746 3.156 1.00 0.00 H new ATOM 0 HA LEU B 569 9.883 15.474 4.627 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.284 15.157 4.406 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.700 13.976 3.180 1.00 0.00 H new ATOM 0 HG LEU B 569 7.277 12.952 5.374 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.313 11.567 5.476 1.00 0.00 H new ATOM 0 HD12 LEU B 569 8.784 11.841 3.799 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.164 12.752 4.456 1.00 0.00 H new ATOM 0 HD21 LEU B 569 8.887 13.266 7.212 1.00 0.00 H new ATOM 0 HD22 LEU B 569 9.722 14.518 6.262 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.047 14.781 6.804 1.00 0.00 H new ATOM 744 N ILE B 570 9.787 14.474 1.485 1.00 0.00 N ATOM 745 CA ILE B 570 10.537 13.758 0.461 1.00 0.00 C ATOM 746 C ILE B 570 11.803 14.516 0.076 1.00 0.00 C ATOM 747 O ILE B 570 12.817 13.913 -0.272 1.00 0.00 O ATOM 748 CB ILE B 570 9.686 13.527 -0.802 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.604 12.480 -0.529 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.569 13.094 -1.963 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.311 12.741 -1.271 1.00 0.00 C ATOM 0 H ILE B 570 8.952 14.949 1.142 1.00 0.00 H new ATOM 0 HA ILE B 570 10.810 12.792 0.887 1.00 0.00 H new ATOM 0 HB ILE B 570 9.199 14.464 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.982 11.497 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.400 12.450 0.541 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.954 12.935 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.306 13.870 -2.169 1.00 0.00 H new ATOM 0 HG23 ILE B 570 11.081 12.167 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.590 11.960 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.910 13.710 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.501 12.741 -2.344 1.00 0.00 H new ATOM 763 N GLN B 571 11.735 15.842 0.142 1.00 0.00 N ATOM 764 CA GLN B 571 12.877 16.683 -0.199 1.00 0.00 C ATOM 765 C GLN B 571 14.073 16.363 0.692 1.00 0.00 C ATOM 766 O GLN B 571 15.212 16.687 0.356 1.00 0.00 O ATOM 767 CB GLN B 571 12.507 18.161 -0.065 1.00 0.00 C ATOM 768 CG GLN B 571 11.546 18.647 -1.138 1.00 0.00 C ATOM 769 CD GLN B 571 10.887 19.964 -0.778 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.368 20.697 0.086 1.00 0.00 O ATOM 771 NE2 GLN B 571 9.777 20.271 -1.439 1.00 0.00 N ATOM 0 H GLN B 571 10.902 16.357 0.428 1.00 0.00 H new ATOM 0 HA GLN B 571 13.152 16.477 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.059 18.328 0.915 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.417 18.760 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.085 18.760 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.776 17.892 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN B 571 9.413 19.634 -2.148 1.00 0.00 H new ATOM 0 HE22 GLN B 571 9.289 21.144 -1.238 1.00 0.00 H new ATOM 780 N ALA B 572 13.806 15.727 1.827 1.00 0.00 N ATOM 781 CA ALA B 572 14.861 15.362 2.765 1.00 0.00 C ATOM 782 C ALA B 572 15.914 14.487 2.093 1.00 0.00 C ATOM 783 O ALA B 572 17.059 14.426 2.539 1.00 0.00 O ATOM 784 CB ALA B 572 14.271 14.649 3.972 1.00 0.00 C ATOM 0 H ALA B 572 12.868 15.453 2.120 1.00 0.00 H new ATOM 0 HA ALA B 572 15.348 16.278 3.101 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.070 14.382 4.664 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.562 15.308 4.473 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.757 13.745 3.645 1.00 0.00 H new ATOM 790 N MET B 573 15.518 13.812 1.020 1.00 0.00 N ATOM 791 CA MET B 573 16.429 12.940 0.287 1.00 0.00 C ATOM 792 C MET B 573 16.414 13.268 -1.203 1.00 0.00 C ATOM 793 O MET B 573 17.459 13.290 -1.855 1.00 0.00 O ATOM 794 CB MET B 573 16.050 11.474 0.502 1.00 0.00 C ATOM 795 CG MET B 573 14.555 11.248 0.654 1.00 0.00 C ATOM 796 SD MET B 573 14.035 11.173 2.379 1.00 0.00 S ATOM 797 CE MET B 573 12.289 10.820 2.192 1.00 0.00 C ATOM 0 H MET B 573 14.573 13.852 0.638 1.00 0.00 H new ATOM 0 HA MET B 573 17.437 13.106 0.668 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.414 10.886 -0.341 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.557 11.103 1.393 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.017 12.052 0.151 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.279 10.319 0.155 1.00 0.00 H new ATOM 0 HE1 MET B 573 11.723 11.379 2.937 1.00 0.00 H new ATOM 0 HE2 MET B 573 11.963 11.113 1.194 1.00 0.00 H new ATOM 0 HE3 MET B 573 12.117 9.753 2.331 1.00 0.00 H new ATOM 807 N HIS B 574 15.223 13.520 -1.737 1.00 0.00 N ATOM 808 CA HIS B 574 15.073 13.847 -3.151 1.00 0.00 C ATOM 809 C HIS B 574 14.384 15.197 -3.326 1.00 0.00 C ATOM 810 O HIS B 574 13.213 15.281 -3.696 1.00 0.00 O ATOM 811 CB HIS B 574 14.273 12.757 -3.865 1.00 0.00 C ATOM 812 CG HIS B 574 15.094 11.562 -4.243 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.707 11.429 -5.471 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.402 10.443 -3.546 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.356 10.278 -5.513 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.187 9.662 -4.358 1.00 0.00 N ATOM 0 H HIS B 574 14.348 13.504 -1.213 1.00 0.00 H new ATOM 0 HA HIS B 574 16.068 13.907 -3.593 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.455 12.436 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.823 13.178 -4.764 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.089 10.208 -2.539 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.927 9.905 -6.350 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.577 8.753 -4.109 1.00 0.00 H new ATOM 824 N PRO B 575 15.127 16.280 -3.054 1.00 0.00 N ATOM 825 CA PRO B 575 14.609 17.646 -3.174 1.00 0.00 C ATOM 826 C PRO B 575 14.374 18.051 -4.626 1.00 0.00 C ATOM 827 O PRO B 575 13.817 19.114 -4.903 1.00 0.00 O ATOM 828 CB PRO B 575 15.715 18.502 -2.553 1.00 0.00 C ATOM 829 CG PRO B 575 16.956 17.693 -2.716 1.00 0.00 C ATOM 830 CD PRO B 575 16.530 16.255 -2.608 1.00 0.00 C ATOM 0 HA PRO B 575 13.641 17.758 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.801 19.465 -3.057 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.513 18.709 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.426 17.889 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.688 17.942 -1.948 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.140 15.607 -3.237 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.620 15.885 -1.587 1.00 0.00 H new ATOM 838 N THR B 576 14.802 17.197 -5.550 1.00 0.00 N ATOM 839 CA THR B 576 14.639 17.466 -6.973 1.00 0.00 C ATOM 840 C THR B 576 13.346 16.857 -7.504 1.00 0.00 C ATOM 841 O THR B 576 12.507 17.555 -8.075 1.00 0.00 O ATOM 842 CB THR B 576 15.825 16.917 -7.789 1.00 0.00 C ATOM 843 OG1 THR B 576 16.159 15.599 -7.339 1.00 0.00 O ATOM 844 CG2 THR B 576 17.038 17.826 -7.660 1.00 0.00 C ATOM 0 H THR B 576 15.264 16.313 -5.338 1.00 0.00 H new ATOM 0 HA THR B 576 14.600 18.549 -7.087 1.00 0.00 H new ATOM 0 HB THR B 576 15.530 16.879 -8.838 1.00 0.00 H new ATOM 0 HG1 THR B 576 16.912 15.256 -7.863 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.862 17.418 -8.245 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.788 18.820 -8.030 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.334 17.892 -6.613 1.00 0.00 H new ATOM 852 N LEU B 577 13.191 15.552 -7.311 1.00 0.00 N ATOM 853 CA LEU B 577 11.998 14.847 -7.770 1.00 0.00 C ATOM 854 C LEU B 577 10.938 14.800 -6.674 1.00 0.00 C ATOM 855 O LEU B 577 9.999 14.008 -6.739 1.00 0.00 O ATOM 856 CB LEU B 577 12.358 13.427 -8.209 1.00 0.00 C ATOM 857 CG LEU B 577 13.299 13.313 -9.408 1.00 0.00 C ATOM 858 CD1 LEU B 577 12.860 14.250 -10.522 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.732 13.611 -8.992 1.00 0.00 C ATOM 0 H LEU B 577 13.876 14.960 -6.840 1.00 0.00 H new ATOM 0 HA LEU B 577 11.589 15.391 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU B 577 12.815 12.912 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.436 12.896 -8.445 1.00 0.00 H new ATOM 0 HG LEU B 577 13.256 12.290 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.542 14.155 -11.367 1.00 0.00 H new ATOM 0 HD12 LEU B 577 11.850 13.990 -10.839 1.00 0.00 H new ATOM 0 HD13 LEU B 577 12.873 15.278 -10.159 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.388 13.525 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.791 14.623 -8.591 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.045 12.899 -8.228 1.00 0.00 H new ATOM 871 N ALA B 578 11.095 15.656 -5.669 1.00 0.00 N ATOM 872 CA ALA B 578 10.150 15.714 -4.561 1.00 0.00 C ATOM 873 C ALA B 578 8.719 15.857 -5.068 1.00 0.00 C ATOM 874 O ALA B 578 7.789 15.288 -4.499 1.00 0.00 O ATOM 875 CB ALA B 578 10.499 16.865 -3.629 1.00 0.00 C ATOM 0 H ALA B 578 11.868 16.318 -5.600 1.00 0.00 H new ATOM 0 HA ALA B 578 10.220 14.778 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.785 16.896 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.504 16.720 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.459 17.805 -4.180 1.00 0.00 H new ATOM 881 N GLY B 579 8.550 16.623 -6.142 1.00 0.00 N ATOM 882 CA GLY B 579 7.229 16.828 -6.706 1.00 0.00 C ATOM 883 C GLY B 579 6.639 15.554 -7.278 1.00 0.00 C ATOM 884 O GLY B 579 5.536 15.151 -6.907 1.00 0.00 O ATOM 0 H GLY B 579 9.304 17.105 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.565 17.218 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.285 17.583 -7.490 1.00 0.00 H new ATOM 888 N LYS B 580 7.373 14.919 -8.185 1.00 0.00 N ATOM 889 CA LYS B 580 6.917 13.684 -8.811 1.00 0.00 C ATOM 890 C LYS B 580 6.760 12.575 -7.775 1.00 0.00 C ATOM 891 O LYS B 580 5.813 11.790 -7.831 1.00 0.00 O ATOM 892 CB LYS B 580 7.901 13.245 -9.897 1.00 0.00 C ATOM 893 CG LYS B 580 7.897 14.144 -11.121 1.00 0.00 C ATOM 894 CD LYS B 580 8.698 13.538 -12.261 1.00 0.00 C ATOM 895 CE LYS B 580 8.013 13.758 -13.602 1.00 0.00 C ATOM 896 NZ LYS B 580 7.717 15.197 -13.844 1.00 0.00 N ATOM 0 H LYS B 580 8.287 15.240 -8.503 1.00 0.00 H new ATOM 0 HA LYS B 580 5.945 13.874 -9.265 1.00 0.00 H new ATOM 0 HB2 LYS B 580 8.906 13.222 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.660 12.227 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS B 580 6.870 14.313 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS B 580 8.313 15.117 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS B 580 9.694 13.981 -12.283 1.00 0.00 H new ATOM 0 HD3 LYS B 580 8.828 12.470 -12.088 1.00 0.00 H new ATOM 0 HE2 LYS B 580 8.649 13.379 -14.401 1.00 0.00 H new ATOM 0 HE3 LYS B 580 7.086 13.186 -13.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 7.507 15.344 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 6.895 15.483 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 8.541 15.771 -13.575 1.00 0.00 H new ATOM 910 N ILE B 581 7.692 12.518 -6.829 1.00 0.00 N ATOM 911 CA ILE B 581 7.654 11.508 -5.780 1.00 0.00 C ATOM 912 C ILE B 581 6.379 11.623 -4.951 1.00 0.00 C ATOM 913 O ILE B 581 5.574 10.692 -4.895 1.00 0.00 O ATOM 914 CB ILE B 581 8.872 11.622 -4.844 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.162 11.331 -5.614 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.726 10.670 -3.666 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.395 11.933 -4.977 1.00 0.00 C ATOM 0 H ILE B 581 8.482 13.160 -6.768 1.00 0.00 H new ATOM 0 HA ILE B 581 7.676 10.538 -6.276 1.00 0.00 H new ATOM 0 HB ILE B 581 8.922 12.640 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.293 10.252 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.064 11.714 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.594 10.762 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.824 10.919 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.655 9.646 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.271 11.686 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.285 13.016 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.518 11.531 -3.971 1.00 0.00 H new ATOM 929 N THR B 582 6.198 12.773 -4.309 1.00 0.00 N ATOM 930 CA THR B 582 5.021 13.012 -3.484 1.00 0.00 C ATOM 931 C THR B 582 3.739 12.823 -4.287 1.00 0.00 C ATOM 932 O THR B 582 2.727 12.362 -3.761 1.00 0.00 O ATOM 933 CB THR B 582 5.033 14.430 -2.884 1.00 0.00 C ATOM 934 OG1 THR B 582 4.035 14.539 -1.863 1.00 0.00 O ATOM 935 CG2 THR B 582 4.780 15.475 -3.961 1.00 0.00 C ATOM 0 H THR B 582 6.853 13.554 -4.345 1.00 0.00 H new ATOM 0 HA THR B 582 5.050 12.283 -2.674 1.00 0.00 H new ATOM 0 HB THR B 582 6.017 14.609 -2.450 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.134 15.397 -1.399 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.793 16.469 -3.514 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.558 15.409 -4.722 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.808 15.296 -4.420 1.00 0.00 H new ATOM 943 N GLY B 583 3.790 13.182 -5.567 1.00 0.00 N ATOM 944 CA GLY B 583 2.626 13.043 -6.422 1.00 0.00 C ATOM 945 C GLY B 583 2.161 11.606 -6.541 1.00 0.00 C ATOM 946 O GLY B 583 1.023 11.284 -6.198 1.00 0.00 O ATOM 0 H GLY B 583 4.616 13.566 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.814 13.653 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.860 13.429 -7.414 1.00 0.00 H new ATOM 950 N MET B 584 3.042 10.739 -7.029 1.00 0.00 N ATOM 951 CA MET B 584 2.714 9.327 -7.193 1.00 0.00 C ATOM 952 C MET B 584 2.409 8.680 -5.845 1.00 0.00 C ATOM 953 O MET B 584 1.443 7.928 -5.711 1.00 0.00 O ATOM 954 CB MET B 584 3.868 8.590 -7.876 1.00 0.00 C ATOM 955 CG MET B 584 4.326 9.244 -9.169 1.00 0.00 C ATOM 956 SD MET B 584 5.859 8.536 -9.800 1.00 0.00 S ATOM 957 CE MET B 584 7.047 9.217 -8.645 1.00 0.00 C ATOM 0 H MET B 584 3.988 10.989 -7.318 1.00 0.00 H new ATOM 0 HA MET B 584 1.825 9.256 -7.820 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.711 8.535 -7.188 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.561 7.565 -8.086 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.545 9.138 -9.922 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.465 10.312 -9.002 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.994 8.686 -8.742 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.200 10.274 -8.861 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.671 9.106 -7.628 1.00 0.00 H new ATOM 967 N LEU B 585 3.238 8.977 -4.850 1.00 0.00 N ATOM 968 CA LEU B 585 3.057 8.424 -3.513 1.00 0.00 C ATOM 969 C LEU B 585 1.732 8.880 -2.910 1.00 0.00 C ATOM 970 O LEU B 585 1.163 8.204 -2.052 1.00 0.00 O ATOM 971 CB LEU B 585 4.215 8.844 -2.605 1.00 0.00 C ATOM 972 CG LEU B 585 5.432 7.919 -2.599 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.857 7.587 -4.020 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.581 8.555 -1.831 1.00 0.00 C ATOM 0 H LEU B 585 4.042 9.598 -4.944 1.00 0.00 H new ATOM 0 HA LEU B 585 3.043 7.337 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.542 9.840 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.840 8.925 -1.585 1.00 0.00 H new ATOM 0 HG LEU B 585 5.157 6.991 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.725 6.928 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.037 7.089 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.114 8.506 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.439 7.883 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.856 9.498 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.272 8.740 -0.802 1.00 0.00 H new ATOM 986 N LEU B 586 1.245 10.029 -3.366 1.00 0.00 N ATOM 987 CA LEU B 586 -0.015 10.575 -2.874 1.00 0.00 C ATOM 988 C LEU B 586 -1.202 9.923 -3.576 1.00 0.00 C ATOM 989 O LEU B 586 -2.314 9.907 -3.049 1.00 0.00 O ATOM 990 CB LEU B 586 -0.054 12.090 -3.082 1.00 0.00 C ATOM 991 CG LEU B 586 -1.383 12.777 -2.766 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.142 14.131 -2.117 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.218 12.930 -4.029 1.00 0.00 C ATOM 0 H LEU B 586 1.704 10.600 -4.076 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.084 10.360 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.722 12.542 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.203 12.301 -4.120 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.935 12.153 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.099 14.606 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.584 13.996 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.570 14.763 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.160 13.421 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.672 13.533 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.420 11.946 -4.453 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.957 9.385 -4.766 1.00 0.00 N ATOM 1006 CA GLU B 587 -2.006 8.731 -5.539 1.00 0.00 C ATOM 1007 C GLU B 587 -2.295 7.336 -4.992 1.00 0.00 C ATOM 1008 O GLU B 587 -3.435 7.014 -4.656 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.603 8.640 -7.013 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.770 8.365 -7.947 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.386 7.476 -9.114 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -1.817 6.391 -8.872 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -2.655 7.866 -10.269 1.00 0.00 O ATOM 0 H GLU B 587 -0.042 9.389 -5.216 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.912 9.331 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -1.124 9.574 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.861 7.850 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.576 7.893 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -3.157 9.310 -8.327 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.255 6.513 -4.908 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.397 5.153 -4.402 1.00 0.00 C ATOM 1022 C ILE B 588 -2.460 5.081 -3.311 1.00 0.00 C ATOM 1023 O ILE B 588 -3.469 4.391 -3.457 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.065 4.619 -3.841 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.829 5.780 -3.399 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.642 3.765 -4.882 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.845 5.393 -2.348 1.00 0.00 C ATOM 0 H ILE B 588 -0.306 6.764 -5.184 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.702 4.533 -5.245 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.276 3.997 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.352 6.177 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.203 6.582 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.581 3.395 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE B 588 0.007 2.922 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.845 4.366 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.444 6.264 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.329 5.023 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.496 4.612 -2.741 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.228 5.799 -2.218 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.167 5.819 -1.102 1.00 0.00 C ATOM 1041 C ASP B 589 -2.619 6.649 0.055 1.00 0.00 C ATOM 1042 O ASP B 589 -1.672 6.245 0.728 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.460 4.394 -0.629 1.00 0.00 C ATOM 1044 CG ASP B 589 -4.858 3.938 -0.999 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -5.829 4.499 -0.452 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -4.980 3.018 -1.836 1.00 0.00 O ATOM 0 H ASP B 589 -1.398 6.375 -2.081 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.094 6.277 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -2.731 3.712 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.338 4.341 0.453 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.221 7.813 0.278 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.793 8.701 1.352 1.00 0.00 C ATOM 1053 C ASN B 590 -2.746 7.961 2.685 1.00 0.00 C ATOM 1054 O ASN B 590 -1.774 8.069 3.433 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.736 9.902 1.456 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.473 10.939 0.381 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.345 11.088 -0.090 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.515 11.661 -0.012 1.00 0.00 N ATOM 0 H ASN B 590 -4.006 8.163 -0.271 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.789 9.055 1.118 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.768 9.558 1.380 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.625 10.364 2.437 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.399 12.374 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.432 11.503 0.406 1.00 0.00 H new ATOM 1065 N SER B 591 -3.802 7.207 2.975 1.00 0.00 N ATOM 1066 CA SER B 591 -3.883 6.450 4.219 1.00 0.00 C ATOM 1067 C SER B 591 -2.624 5.614 4.429 1.00 0.00 C ATOM 1068 O SER B 591 -2.090 5.547 5.535 1.00 0.00 O ATOM 1069 CB SER B 591 -5.116 5.544 4.209 1.00 0.00 C ATOM 1070 OG SER B 591 -5.637 5.378 5.516 1.00 0.00 O ATOM 0 H SER B 591 -4.613 7.104 2.365 1.00 0.00 H new ATOM 0 HA SER B 591 -3.968 7.159 5.043 1.00 0.00 H new ATOM 0 HB2 SER B 591 -5.881 5.972 3.561 1.00 0.00 H new ATOM 0 HB3 SER B 591 -4.853 4.572 3.793 1.00 0.00 H new ATOM 0 HG SER B 591 -6.425 4.797 5.483 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.157 4.980 3.358 1.00 0.00 N ATOM 1077 CA GLU B 592 -0.962 4.147 3.426 1.00 0.00 C ATOM 1078 C GLU B 592 0.257 4.976 3.821 1.00 0.00 C ATOM 1079 O GLU B 592 1.097 4.531 4.605 1.00 0.00 O ATOM 1080 CB GLU B 592 -0.713 3.464 2.080 1.00 0.00 C ATOM 1081 CG GLU B 592 0.412 2.443 2.114 1.00 0.00 C ATOM 1082 CD GLU B 592 0.631 1.771 0.773 1.00 0.00 C ATOM 1083 OE1 GLU B 592 1.035 2.467 -0.181 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.399 0.547 0.678 1.00 0.00 O ATOM 0 H GLU B 592 -2.587 5.027 2.434 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.124 3.385 4.188 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.630 2.971 1.757 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.480 4.224 1.334 1.00 0.00 H new ATOM 0 HG2 GLU B 592 1.334 2.934 2.425 1.00 0.00 H new ATOM 0 HG3 GLU B 592 0.187 1.685 2.864 1.00 0.00 H new ATOM 1091 N LEU B 593 0.347 6.183 3.274 1.00 0.00 N ATOM 1092 CA LEU B 593 1.462 7.076 3.568 1.00 0.00 C ATOM 1093 C LEU B 593 1.469 7.472 5.041 1.00 0.00 C ATOM 1094 O LEU B 593 2.527 7.562 5.666 1.00 0.00 O ATOM 1095 CB LEU B 593 1.385 8.327 2.692 1.00 0.00 C ATOM 1096 CG LEU B 593 0.793 8.133 1.296 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.855 9.431 0.505 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.524 7.021 0.557 1.00 0.00 C ATOM 0 H LEU B 593 -0.339 6.566 2.624 1.00 0.00 H new ATOM 0 HA LEU B 593 2.388 6.544 3.349 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.792 9.077 3.215 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.391 8.734 2.585 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.253 7.846 1.402 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.429 9.274 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.287 10.202 1.026 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.893 9.749 0.408 1.00 0.00 H new ATOM 0 HD21 LEU B 593 1.090 6.897 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.579 7.280 0.461 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.428 6.089 1.115 1.00 0.00 H new ATOM 1110 N LEU B 594 0.282 7.704 5.591 1.00 0.00 N ATOM 1111 CA LEU B 594 0.150 8.088 6.992 1.00 0.00 C ATOM 1112 C LEU B 594 0.594 6.955 7.912 1.00 0.00 C ATOM 1113 O LEU B 594 0.759 7.147 9.117 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.297 8.475 7.302 1.00 0.00 C ATOM 1115 CG LEU B 594 -1.668 9.938 7.059 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.151 10.161 7.308 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -0.833 10.853 7.944 1.00 0.00 C ATOM 0 H LEU B 594 -0.603 7.633 5.088 1.00 0.00 H new ATOM 0 HA LEU B 594 0.795 8.949 7.169 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -1.956 7.849 6.700 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.499 8.239 8.347 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.456 10.179 6.017 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.396 11.208 7.130 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -3.732 9.532 6.633 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.390 9.903 8.340 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.110 11.891 7.758 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.014 10.611 8.991 1.00 0.00 H new ATOM 0 HD23 LEU B 594 0.224 10.713 7.717 1.00 0.00 H new ATOM 1129 N HIS B 595 0.787 5.773 7.335 1.00 0.00 N ATOM 1130 CA HIS B 595 1.215 4.609 8.102 1.00 0.00 C ATOM 1131 C HIS B 595 2.587 4.127 7.640 1.00 0.00 C ATOM 1132 O HIS B 595 3.220 3.303 8.298 1.00 0.00 O ATOM 1133 CB HIS B 595 0.193 3.479 7.967 1.00 0.00 C ATOM 1134 CG HIS B 595 0.088 2.617 9.187 1.00 0.00 C ATOM 1135 ND1 HIS B 595 0.694 1.382 9.290 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.555 2.818 10.361 1.00 0.00 C ATOM 1137 CE1 HIS B 595 0.426 0.860 10.473 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.330 1.712 11.143 1.00 0.00 N ATOM 0 H HIS B 595 0.654 5.596 6.339 1.00 0.00 H new ATOM 0 HA HIS B 595 1.286 4.902 9.149 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -0.785 3.909 7.751 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.463 2.856 7.114 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -1.137 3.687 10.632 1.00 0.00 H new ATOM 0 HE1 HIS B 595 0.767 -0.100 10.832 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -0.688 1.571 12.088 1.00 0.00 H new ATOM 1146 N MET B 596 3.040 4.648 6.504 1.00 0.00 N ATOM 1147 CA MET B 596 4.337 4.271 5.955 1.00 0.00 C ATOM 1148 C MET B 596 5.436 5.190 6.479 1.00 0.00 C ATOM 1149 O MET B 596 6.601 4.796 6.561 1.00 0.00 O ATOM 1150 CB MET B 596 4.301 4.320 4.426 1.00 0.00 C ATOM 1151 CG MET B 596 3.764 3.047 3.790 1.00 0.00 C ATOM 1152 SD MET B 596 4.216 2.896 2.051 1.00 0.00 S ATOM 1153 CE MET B 596 3.534 4.415 1.391 1.00 0.00 C ATOM 0 H MET B 596 2.528 5.332 5.946 1.00 0.00 H new ATOM 0 HA MET B 596 4.557 3.252 6.274 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.684 5.162 4.112 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.308 4.506 4.053 1.00 0.00 H new ATOM 0 HG2 MET B 596 4.144 2.184 4.337 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.678 3.029 3.882 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.459 4.339 0.306 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.543 4.582 1.813 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.185 5.250 1.652 1.00 0.00 H new ATOM 1163 N LEU B 597 5.060 6.414 6.831 1.00 0.00 N ATOM 1164 CA LEU B 597 6.015 7.389 7.347 1.00 0.00 C ATOM 1165 C LEU B 597 6.484 7.004 8.746 1.00 0.00 C ATOM 1166 O LEU B 597 7.376 7.639 9.308 1.00 0.00 O ATOM 1167 CB LEU B 597 5.386 8.783 7.373 1.00 0.00 C ATOM 1168 CG LEU B 597 4.454 9.077 8.549 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.474 7.931 8.753 1.00 0.00 C ATOM 1170 CD2 LEU B 597 5.257 9.326 9.817 1.00 0.00 C ATOM 0 H LEU B 597 4.101 6.755 6.769 1.00 0.00 H new ATOM 0 HA LEU B 597 6.880 7.400 6.684 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.188 9.521 7.377 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.827 8.925 6.448 1.00 0.00 H new ATOM 0 HG LEU B 597 3.885 9.978 8.320 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.819 8.158 9.594 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.875 7.800 7.852 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.025 7.013 8.960 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.577 9.534 10.643 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.852 8.443 10.050 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.918 10.180 9.667 1.00 0.00 H new ATOM 1182 N GLU B 598 5.880 5.958 9.301 1.00 0.00 N ATOM 1183 CA GLU B 598 6.237 5.488 10.634 1.00 0.00 C ATOM 1184 C GLU B 598 7.383 4.482 10.567 1.00 0.00 C ATOM 1185 O GLU B 598 7.856 3.995 11.593 1.00 0.00 O ATOM 1186 CB GLU B 598 5.025 4.852 11.317 1.00 0.00 C ATOM 1187 CG GLU B 598 3.767 5.701 11.238 1.00 0.00 C ATOM 1188 CD GLU B 598 2.980 5.699 12.534 1.00 0.00 C ATOM 1189 OE1 GLU B 598 2.867 4.624 13.159 1.00 0.00 O ATOM 1190 OE2 GLU B 598 2.476 6.773 12.923 1.00 0.00 O ATOM 0 H GLU B 598 5.141 5.420 8.848 1.00 0.00 H new ATOM 0 HA GLU B 598 6.564 6.348 11.219 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.828 3.882 10.860 1.00 0.00 H new ATOM 0 HB3 GLU B 598 5.264 4.668 12.364 1.00 0.00 H new ATOM 0 HG2 GLU B 598 4.040 6.725 10.984 1.00 0.00 H new ATOM 0 HG3 GLU B 598 3.133 5.331 10.432 1.00 0.00 H new ATOM 1197 N SER B 599 7.823 4.175 9.350 1.00 0.00 N ATOM 1198 CA SER B 599 8.909 3.224 9.148 1.00 0.00 C ATOM 1199 C SER B 599 9.902 3.745 8.113 1.00 0.00 C ATOM 1200 O SER B 599 9.527 4.314 7.087 1.00 0.00 O ATOM 1201 CB SER B 599 8.353 1.870 8.701 1.00 0.00 C ATOM 1202 OG SER B 599 8.784 0.832 9.565 1.00 0.00 O ATOM 0 H SER B 599 7.444 4.571 8.490 1.00 0.00 H new ATOM 0 HA SER B 599 9.431 3.100 10.097 1.00 0.00 H new ATOM 0 HB2 SER B 599 7.264 1.907 8.687 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.678 1.658 7.682 1.00 0.00 H new ATOM 0 HG SER B 599 8.414 -0.023 9.259 1.00 0.00 H new ATOM 1208 N PRO B 600 11.200 3.547 8.387 1.00 0.00 N ATOM 1209 CA PRO B 600 12.274 3.989 7.493 1.00 0.00 C ATOM 1210 C PRO B 600 12.322 3.180 6.201 1.00 0.00 C ATOM 1211 O PRO B 600 12.393 3.742 5.109 1.00 0.00 O ATOM 1212 CB PRO B 600 13.541 3.755 8.319 1.00 0.00 C ATOM 1213 CG PRO B 600 13.175 2.675 9.277 1.00 0.00 C ATOM 1214 CD PRO B 600 11.718 2.876 9.591 1.00 0.00 C ATOM 0 HA PRO B 600 12.141 5.023 7.175 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.377 3.456 7.686 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.846 4.662 8.842 1.00 0.00 H new ATOM 0 HG2 PRO B 600 13.348 1.691 8.841 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.781 2.734 10.181 1.00 0.00 H new ATOM 0 HD2 PRO B 600 11.211 1.928 9.772 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.580 3.487 10.483 1.00 0.00 H new ATOM 1222 N GLU B 601 12.284 1.858 6.335 1.00 0.00 N ATOM 1223 CA GLU B 601 12.324 0.972 5.177 1.00 0.00 C ATOM 1224 C GLU B 601 11.142 1.236 4.249 1.00 0.00 C ATOM 1225 O GLU B 601 11.171 0.876 3.072 1.00 0.00 O ATOM 1226 CB GLU B 601 12.318 -0.491 5.625 1.00 0.00 C ATOM 1227 CG GLU B 601 12.654 -1.470 4.513 1.00 0.00 C ATOM 1228 CD GLU B 601 13.024 -2.844 5.037 1.00 0.00 C ATOM 1229 OE1 GLU B 601 13.235 -2.976 6.261 1.00 0.00 O ATOM 1230 OE2 GLU B 601 13.101 -3.788 4.223 1.00 0.00 O ATOM 0 H GLU B 601 12.226 1.377 7.233 1.00 0.00 H new ATOM 0 HA GLU B 601 13.245 1.173 4.630 1.00 0.00 H new ATOM 0 HB2 GLU B 601 13.035 -0.616 6.437 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.335 -0.735 6.027 1.00 0.00 H new ATOM 0 HG2 GLU B 601 11.800 -1.559 3.842 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.482 -1.075 3.924 1.00 0.00 H new ATOM 1237 N SER B 602 10.103 1.867 4.788 1.00 0.00 N ATOM 1238 CA SER B 602 8.909 2.176 4.010 1.00 0.00 C ATOM 1239 C SER B 602 9.067 3.504 3.277 1.00 0.00 C ATOM 1240 O SER B 602 8.932 3.571 2.054 1.00 0.00 O ATOM 1241 CB SER B 602 7.681 2.226 4.921 1.00 0.00 C ATOM 1242 OG SER B 602 7.386 0.945 5.450 1.00 0.00 O ATOM 0 H SER B 602 10.064 2.174 5.760 1.00 0.00 H new ATOM 0 HA SER B 602 8.772 1.387 3.270 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.857 2.928 5.736 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.823 2.598 4.360 1.00 0.00 H new ATOM 0 HG SER B 602 6.598 1.004 6.030 1.00 0.00 H new ATOM 1248 N LEU B 603 9.353 4.559 4.031 1.00 0.00 N ATOM 1249 CA LEU B 603 9.530 5.887 3.455 1.00 0.00 C ATOM 1250 C LEU B 603 10.588 5.867 2.355 1.00 0.00 C ATOM 1251 O LEU B 603 10.320 6.250 1.216 1.00 0.00 O ATOM 1252 CB LEU B 603 9.927 6.888 4.541 1.00 0.00 C ATOM 1253 CG LEU B 603 10.631 8.157 4.060 1.00 0.00 C ATOM 1254 CD1 LEU B 603 9.744 8.925 3.092 1.00 0.00 C ATOM 1255 CD2 LEU B 603 11.017 9.034 5.243 1.00 0.00 C ATOM 0 H LEU B 603 9.467 4.521 5.044 1.00 0.00 H new ATOM 0 HA LEU B 603 8.581 6.194 3.016 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.028 7.179 5.085 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.580 6.382 5.252 1.00 0.00 H new ATOM 0 HG LEU B 603 11.542 7.868 3.535 1.00 0.00 H new ATOM 0 HD11 LEU B 603 10.262 9.825 2.760 1.00 0.00 H new ATOM 0 HD12 LEU B 603 9.518 8.298 2.230 1.00 0.00 H new ATOM 0 HD13 LEU B 603 8.816 9.203 3.591 1.00 0.00 H new ATOM 0 HD21 LEU B 603 11.517 9.933 4.882 1.00 0.00 H new ATOM 0 HD22 LEU B 603 10.120 9.315 5.796 1.00 0.00 H new ATOM 0 HD23 LEU B 603 11.690 8.483 5.900 1.00 0.00 H new ATOM 1267 N ARG B 604 11.788 5.416 2.705 1.00 0.00 N ATOM 1268 CA ARG B 604 12.886 5.345 1.747 1.00 0.00 C ATOM 1269 C ARG B 604 12.495 4.507 0.534 1.00 0.00 C ATOM 1270 O ARG B 604 12.800 4.864 -0.604 1.00 0.00 O ATOM 1271 CB ARG B 604 14.131 4.753 2.410 1.00 0.00 C ATOM 1272 CG ARG B 604 15.412 5.003 1.632 1.00 0.00 C ATOM 1273 CD ARG B 604 16.624 4.438 2.357 1.00 0.00 C ATOM 1274 NE ARG B 604 17.191 5.396 3.303 1.00 0.00 N ATOM 1275 CZ ARG B 604 18.340 5.206 3.940 1.00 0.00 C ATOM 1276 NH1 ARG B 604 19.042 4.100 3.735 1.00 0.00 N ATOM 1277 NH2 ARG B 604 18.791 6.124 4.786 1.00 0.00 N ATOM 0 H ARG B 604 12.025 5.095 3.644 1.00 0.00 H new ATOM 0 HA ARG B 604 13.109 6.358 1.411 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.235 5.174 3.410 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.992 3.679 2.530 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.333 4.549 0.644 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.544 6.074 1.481 1.00 0.00 H new ATOM 0 HD2 ARG B 604 16.338 3.530 2.888 1.00 0.00 H new ATOM 0 HD3 ARG B 604 17.383 4.155 1.628 1.00 0.00 H new ATOM 0 HE ARG B 604 16.676 6.258 3.484 1.00 0.00 H new ATOM 0 HH11 ARG B 604 18.700 3.392 3.086 1.00 0.00 H new ATOM 0 HH12 ARG B 604 19.924 3.958 4.226 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.255 6.976 4.947 1.00 0.00 H new ATOM 0 HH22 ARG B 604 19.674 5.977 5.275 1.00 0.00 H new ATOM 1291 N SER B 605 11.819 3.390 0.785 1.00 0.00 N ATOM 1292 CA SER B 605 11.390 2.499 -0.287 1.00 0.00 C ATOM 1293 C SER B 605 10.540 3.248 -1.309 1.00 0.00 C ATOM 1294 O SER B 605 10.819 3.218 -2.508 1.00 0.00 O ATOM 1295 CB SER B 605 10.599 1.321 0.286 1.00 0.00 C ATOM 1296 OG SER B 605 9.794 0.715 -0.710 1.00 0.00 O ATOM 0 H SER B 605 11.557 3.081 1.721 1.00 0.00 H new ATOM 0 HA SER B 605 12.280 2.120 -0.789 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.287 0.584 0.700 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.970 1.666 1.106 1.00 0.00 H new ATOM 0 HG SER B 605 9.300 -0.036 -0.319 1.00 0.00 H new ATOM 1302 N LYS B 606 9.501 3.920 -0.826 1.00 0.00 N ATOM 1303 CA LYS B 606 8.609 4.678 -1.695 1.00 0.00 C ATOM 1304 C LYS B 606 9.388 5.701 -2.515 1.00 0.00 C ATOM 1305 O LYS B 606 9.315 5.711 -3.744 1.00 0.00 O ATOM 1306 CB LYS B 606 7.535 5.386 -0.865 1.00 0.00 C ATOM 1307 CG LYS B 606 6.609 4.434 -0.129 1.00 0.00 C ATOM 1308 CD LYS B 606 5.953 3.447 -1.081 1.00 0.00 C ATOM 1309 CE LYS B 606 5.146 4.161 -2.154 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.517 3.203 -3.105 1.00 0.00 N ATOM 0 H LYS B 606 9.256 3.955 0.163 1.00 0.00 H new ATOM 0 HA LYS B 606 8.129 3.979 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS B 606 8.020 6.040 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.941 6.022 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.173 3.890 0.629 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.840 5.004 0.393 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.718 2.829 -1.551 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.302 2.777 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.372 4.767 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.795 4.844 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 4.319 3.686 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.164 2.407 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.628 2.846 -2.701 1.00 0.00 H new ATOM 1324 N VAL B 607 10.136 6.559 -1.828 1.00 0.00 N ATOM 1325 CA VAL B 607 10.931 7.583 -2.494 1.00 0.00 C ATOM 1326 C VAL B 607 11.857 6.969 -3.538 1.00 0.00 C ATOM 1327 O VAL B 607 11.891 7.407 -4.687 1.00 0.00 O ATOM 1328 CB VAL B 607 11.774 8.384 -1.483 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.641 9.407 -2.202 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.876 9.060 -0.458 1.00 0.00 C ATOM 0 H VAL B 607 10.208 6.565 -0.811 1.00 0.00 H new ATOM 0 HA VAL B 607 10.230 8.257 -2.987 1.00 0.00 H new ATOM 0 HB VAL B 607 12.432 7.693 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.229 9.963 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.311 8.895 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.005 10.097 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.488 9.621 0.248 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.192 9.740 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.304 8.304 0.079 1.00 0.00 H new ATOM 1340 N ASP B 608 12.606 5.951 -3.129 1.00 0.00 N ATOM 1341 CA ASP B 608 13.532 5.274 -4.029 1.00 0.00 C ATOM 1342 C ASP B 608 12.804 4.743 -5.260 1.00 0.00 C ATOM 1343 O ASP B 608 13.158 5.071 -6.392 1.00 0.00 O ATOM 1344 CB ASP B 608 14.236 4.126 -3.303 1.00 0.00 C ATOM 1345 CG ASP B 608 15.069 3.273 -4.239 1.00 0.00 C ATOM 1346 OD1 ASP B 608 14.498 2.371 -4.886 1.00 0.00 O ATOM 1347 OD2 ASP B 608 16.293 3.508 -4.325 1.00 0.00 O ATOM 0 H ASP B 608 12.590 5.577 -2.180 1.00 0.00 H new ATOM 0 HA ASP B 608 14.278 5.999 -4.355 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.876 4.533 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.491 3.500 -2.812 1.00 0.00 H new ATOM 1352 N GLU B 609 11.785 3.920 -5.029 1.00 0.00 N ATOM 1353 CA GLU B 609 11.008 3.343 -6.120 1.00 0.00 C ATOM 1354 C GLU B 609 10.516 4.429 -7.072 1.00 0.00 C ATOM 1355 O GLU B 609 10.737 4.357 -8.280 1.00 0.00 O ATOM 1356 CB GLU B 609 9.818 2.556 -5.567 1.00 0.00 C ATOM 1357 CG GLU B 609 10.188 1.176 -5.050 1.00 0.00 C ATOM 1358 CD GLU B 609 10.816 0.301 -6.118 1.00 0.00 C ATOM 1359 OE1 GLU B 609 12.052 0.362 -6.284 1.00 0.00 O ATOM 1360 OE2 GLU B 609 10.069 -0.444 -6.787 1.00 0.00 O ATOM 0 H GLU B 609 11.479 3.638 -4.098 1.00 0.00 H new ATOM 0 HA GLU B 609 11.657 2.665 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.360 3.127 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.067 2.452 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU B 609 10.882 1.279 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.295 0.686 -4.663 1.00 0.00 H new ATOM 1367 N ALA B 610 9.847 5.435 -6.517 1.00 0.00 N ATOM 1368 CA ALA B 610 9.324 6.537 -7.316 1.00 0.00 C ATOM 1369 C ALA B 610 10.404 7.118 -8.222 1.00 0.00 C ATOM 1370 O ALA B 610 10.269 7.114 -9.446 1.00 0.00 O ATOM 1371 CB ALA B 610 8.752 7.618 -6.411 1.00 0.00 C ATOM 0 H ALA B 610 9.655 5.509 -5.518 1.00 0.00 H new ATOM 0 HA ALA B 610 8.526 6.149 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.365 8.435 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.945 7.200 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.536 7.995 -5.754 1.00 0.00 H new ATOM 1377 N VAL B 611 11.475 7.618 -7.614 1.00 0.00 N ATOM 1378 CA VAL B 611 12.578 8.203 -8.367 1.00 0.00 C ATOM 1379 C VAL B 611 13.031 7.275 -9.488 1.00 0.00 C ATOM 1380 O VAL B 611 13.309 7.720 -10.601 1.00 0.00 O ATOM 1381 CB VAL B 611 13.779 8.512 -7.453 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.924 9.106 -8.259 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.365 9.448 -6.328 1.00 0.00 C ATOM 0 H VAL B 611 11.602 7.630 -6.602 1.00 0.00 H new ATOM 0 HA VAL B 611 12.210 9.134 -8.797 1.00 0.00 H new ATOM 0 HB VAL B 611 14.125 7.579 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.764 9.318 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.236 8.396 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.594 10.030 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.226 9.656 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.992 10.381 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.580 8.979 -5.735 1.00 0.00 H new ATOM 1393 N ALA B 612 13.103 5.983 -9.186 1.00 0.00 N ATOM 1394 CA ALA B 612 13.520 4.991 -10.169 1.00 0.00 C ATOM 1395 C ALA B 612 12.589 4.989 -11.377 1.00 0.00 C ATOM 1396 O ALA B 612 13.038 4.912 -12.520 1.00 0.00 O ATOM 1397 CB ALA B 612 13.569 3.608 -9.536 1.00 0.00 C ATOM 0 H ALA B 612 12.878 5.599 -8.268 1.00 0.00 H new ATOM 0 HA ALA B 612 14.519 5.256 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.882 2.877 -10.282 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.280 3.611 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.580 3.344 -9.162 1.00 0.00 H new ATOM 1403 N VAL B 613 11.288 5.075 -11.115 1.00 0.00 N ATOM 1404 CA VAL B 613 10.293 5.084 -12.181 1.00 0.00 C ATOM 1405 C VAL B 613 10.453 6.310 -13.073 1.00 0.00 C ATOM 1406 O VAL B 613 10.404 6.210 -14.299 1.00 0.00 O ATOM 1407 CB VAL B 613 8.862 5.059 -11.613 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.840 5.170 -12.734 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.635 3.797 -10.795 1.00 0.00 C ATOM 0 H VAL B 613 10.899 5.139 -10.174 1.00 0.00 H new ATOM 0 HA VAL B 613 10.457 4.184 -12.774 1.00 0.00 H new ATOM 0 HB VAL B 613 8.737 5.918 -10.954 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.835 5.151 -12.313 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.990 6.106 -13.272 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.962 4.333 -13.422 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.619 3.796 -10.401 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.779 2.922 -11.429 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.344 3.767 -9.968 1.00 0.00 H new ATOM 1419 N LEU B 614 10.646 7.467 -12.449 1.00 0.00 N ATOM 1420 CA LEU B 614 10.815 8.714 -13.186 1.00 0.00 C ATOM 1421 C LEU B 614 11.940 8.595 -14.208 1.00 0.00 C ATOM 1422 O LEU B 614 11.798 9.023 -15.353 1.00 0.00 O ATOM 1423 CB LEU B 614 11.107 9.864 -12.220 1.00 0.00 C ATOM 1424 CG LEU B 614 10.161 9.995 -11.026 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.440 11.281 -10.263 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.712 9.950 -11.487 1.00 0.00 C ATOM 0 H LEU B 614 10.689 7.567 -11.435 1.00 0.00 H new ATOM 0 HA LEU B 614 9.887 8.921 -13.719 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.122 9.745 -11.842 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.083 10.798 -12.781 1.00 0.00 H new ATOM 0 HG LEU B 614 10.334 9.154 -10.355 1.00 0.00 H new ATOM 0 HD11 LEU B 614 9.757 11.357 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.468 11.273 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.295 12.135 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.053 10.045 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.525 10.771 -12.179 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.519 9.002 -11.989 1.00 0.00 H new ATOM 1438 N GLN B 615 13.057 8.010 -13.786 1.00 0.00 N ATOM 1439 CA GLN B 615 14.206 7.833 -14.666 1.00 0.00 C ATOM 1440 C GLN B 615 13.801 7.124 -15.954 1.00 0.00 C ATOM 1441 O GLN B 615 14.357 7.386 -17.020 1.00 0.00 O ATOM 1442 CB GLN B 615 15.302 7.038 -13.955 1.00 0.00 C ATOM 1443 CG GLN B 615 16.608 7.802 -13.806 1.00 0.00 C ATOM 1444 CD GLN B 615 17.290 8.057 -15.135 1.00 0.00 C ATOM 1445 OE1 GLN B 615 16.819 7.615 -16.183 1.00 0.00 O ATOM 1446 NE2 GLN B 615 18.408 8.773 -15.099 1.00 0.00 N ATOM 0 H GLN B 615 13.190 7.651 -12.841 1.00 0.00 H new ATOM 0 HA GLN B 615 14.591 8.820 -14.922 1.00 0.00 H new ATOM 0 HB2 GLN B 615 14.946 6.748 -12.967 1.00 0.00 H new ATOM 0 HB3 GLN B 615 15.490 6.118 -14.509 1.00 0.00 H new ATOM 0 HG2 GLN B 615 16.413 8.755 -13.313 1.00 0.00 H new ATOM 0 HG3 GLN B 615 17.281 7.240 -13.158 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.763 9.120 -14.208 1.00 0.00 H new ATOM 0 HE22 GLN B 615 18.912 8.976 -15.962 1.00 0.00 H new