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= 0.211 K(o=0.21,f=-5.3!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 552 SER OG : rot -48:sc= 0.302 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 558 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.7) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -0.684 K(o=-0.68,f=-0.16) USER MOD Single : B 561 MET CE :methyl 147:sc= -4.77 (180deg=-7.9!) USER MOD Single : B 571 GLN : amide:sc= -1.85 K(o=-1.8,f=-3.1!) USER MOD Single : B 573 MET CE :methyl -127:sc= -2.24 (180deg=-7.21!) USER MOD Single : B 574 HIS : no HD1:sc= -7.81! C(o=-7.8!,f=-8.4!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.777 USER MOD Single : B 580 LYS NZ :NH3+ -141:sc= -3.07! (180deg=-5.5!) USER MOD Single : B 582 THR OG1 : rot 180:sc= 0 USER MOD Single : B 584 MET CE :methyl 166:sc= -6.08! (180deg=-6.81!) USER MOD Single : B 590 ASN : amide:sc= -3.3! C(o=-3.3!,f=-8.9!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HE2:sc= 0.201 K(o=0.2,f=-0.84) USER MOD Single : B 596 MET CE :methyl -170:sc= -2.17 (180deg=-2.6) USER MOD Single : B 599 SER OG : rot 180:sc= -0.643 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+ -171:sc= -0.491 (180deg=-0.512) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 6.937 -1.855 -9.576 1.00 0.00 N ATOM 67 CA GLN A 68 7.020 -0.562 -10.246 1.00 0.00 C ATOM 68 C GLN A 68 5.660 0.127 -10.270 1.00 0.00 C ATOM 69 O GLN A 68 4.619 -0.531 -10.295 1.00 0.00 O ATOM 70 CB GLN A 68 7.542 -0.736 -11.673 1.00 0.00 C ATOM 71 CG GLN A 68 7.780 0.579 -12.398 1.00 0.00 C ATOM 72 CD GLN A 68 8.614 0.411 -13.653 1.00 0.00 C ATOM 73 OE1 GLN A 68 9.792 0.057 -13.586 1.00 0.00 O ATOM 74 NE2 GLN A 68 8.007 0.664 -14.806 1.00 0.00 N ATOM 0 HA GLN A 68 7.714 0.065 -9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.475 -1.299 -11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.828 -1.331 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.820 1.023 -12.661 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.280 1.275 -11.725 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.029 0.955 -14.815 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.518 0.568 -15.683 1.00 0.00 H new ATOM 83 N LEU A 69 5.675 1.455 -10.262 1.00 0.00 N ATOM 84 CA LEU A 69 4.442 2.235 -10.283 1.00 0.00 C ATOM 85 C LEU A 69 4.324 3.033 -11.577 1.00 0.00 C ATOM 86 O LEU A 69 5.192 2.957 -12.446 1.00 0.00 O ATOM 87 CB LEU A 69 4.392 3.179 -9.081 1.00 0.00 C ATOM 88 CG LEU A 69 5.639 4.033 -8.846 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.687 5.190 -9.832 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.671 4.548 -7.414 1.00 0.00 C ATOM 0 H LEU A 69 6.527 2.015 -10.241 1.00 0.00 H new ATOM 0 HA LEU A 69 3.602 1.542 -10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.538 3.845 -9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.209 2.585 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 69 6.519 3.409 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.581 5.787 -9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.712 4.800 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.802 5.814 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.565 5.153 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.786 5.156 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.685 3.704 -6.724 1.00 0.00 H new ATOM 102 N ASN A 70 3.246 3.800 -11.697 1.00 0.00 N ATOM 103 CA ASN A 70 3.015 4.615 -12.884 1.00 0.00 C ATOM 104 C ASN A 70 3.393 6.071 -12.627 1.00 0.00 C ATOM 105 O ASN A 70 3.001 6.656 -11.617 1.00 0.00 O ATOM 106 CB ASN A 70 1.550 4.525 -13.314 1.00 0.00 C ATOM 107 CG ASN A 70 0.606 5.102 -12.276 1.00 0.00 C ATOM 108 OD1 ASN A 70 0.841 4.983 -11.074 1.00 0.00 O ATOM 109 ND2 ASN A 70 -0.467 5.732 -12.739 1.00 0.00 N ATOM 0 H ASN A 70 2.518 3.874 -10.986 1.00 0.00 H new ATOM 0 HA ASN A 70 3.646 4.231 -13.686 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.418 5.056 -14.257 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.291 3.482 -13.497 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.138 6.142 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.621 5.806 -13.745 1.00 0.00 H new ATOM 116 N VAL A 71 4.156 6.651 -13.548 1.00 0.00 N ATOM 117 CA VAL A 71 4.585 8.038 -13.423 1.00 0.00 C ATOM 118 C VAL A 71 3.524 8.992 -13.960 1.00 0.00 C ATOM 119 O VAL A 71 3.593 10.201 -13.740 1.00 0.00 O ATOM 120 CB VAL A 71 5.908 8.286 -14.170 1.00 0.00 C ATOM 121 CG1 VAL A 71 5.725 8.077 -15.666 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.430 9.685 -13.879 1.00 0.00 C ATOM 0 H VAL A 71 4.490 6.181 -14.389 1.00 0.00 H new ATOM 0 HA VAL A 71 4.736 8.228 -12.360 1.00 0.00 H new ATOM 0 HB VAL A 71 6.646 7.566 -13.815 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.671 8.257 -16.177 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.400 7.054 -15.853 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.973 8.771 -16.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.366 9.843 -14.415 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.696 10.422 -14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.603 9.794 -12.808 1.00 0.00 H new ATOM 132 N ASN A 72 2.542 8.440 -14.666 1.00 0.00 N ATOM 133 CA ASN A 72 1.466 9.242 -15.235 1.00 0.00 C ATOM 134 C ASN A 72 0.555 9.787 -14.139 1.00 0.00 C ATOM 135 O ASN A 72 -0.132 10.790 -14.330 1.00 0.00 O ATOM 136 CB ASN A 72 0.649 8.409 -16.225 1.00 0.00 C ATOM 137 CG ASN A 72 1.009 8.707 -17.667 1.00 0.00 C ATOM 138 OD1 ASN A 72 0.396 9.562 -18.307 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.007 8.002 -18.186 1.00 0.00 N ATOM 0 H ASN A 72 2.470 7.441 -14.857 1.00 0.00 H new ATOM 0 HA ASN A 72 1.915 10.084 -15.762 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.811 7.350 -16.025 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.412 8.604 -16.071 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.294 8.159 -19.152 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.487 7.303 -17.619 1.00 0.00 H new ATOM 146 N ALA A 73 0.556 9.119 -12.990 1.00 0.00 N ATOM 147 CA ALA A 73 -0.267 9.538 -11.862 1.00 0.00 C ATOM 148 C ALA A 73 -0.038 11.009 -11.531 1.00 0.00 C ATOM 149 O ALA A 73 1.075 11.415 -11.199 1.00 0.00 O ATOM 150 CB ALA A 73 0.022 8.670 -10.647 1.00 0.00 C ATOM 0 H ALA A 73 1.118 8.285 -12.816 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.313 9.415 -12.142 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.599 8.994 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.200 7.629 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.073 8.764 -10.375 1.00 0.00 H new ATOM 156 N LYS A 74 -1.099 11.803 -11.625 1.00 0.00 N ATOM 157 CA LYS A 74 -1.015 13.230 -11.335 1.00 0.00 C ATOM 158 C LYS A 74 -0.366 13.471 -9.976 1.00 0.00 C ATOM 159 O LYS A 74 -0.295 12.581 -9.128 1.00 0.00 O ATOM 160 CB LYS A 74 -2.409 13.861 -11.366 1.00 0.00 C ATOM 161 CG LYS A 74 -2.684 14.664 -12.626 1.00 0.00 C ATOM 162 CD LYS A 74 -4.118 14.486 -13.098 1.00 0.00 C ATOM 163 CE LYS A 74 -4.810 15.826 -13.294 1.00 0.00 C ATOM 164 NZ LYS A 74 -4.270 16.562 -14.471 1.00 0.00 N ATOM 0 H LYS A 74 -2.028 11.483 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.396 13.696 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.157 13.074 -11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.524 14.511 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.491 15.720 -12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.999 14.352 -13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.127 13.930 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.671 13.893 -12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.880 15.666 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.686 16.433 -12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.767 17.470 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.254 16.737 -14.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.411 15.994 -15.330 1.00 0.00 H new ATOM 178 N PRO A 75 0.117 14.704 -9.760 1.00 0.00 N ATOM 179 CA PRO A 75 0.766 15.091 -8.504 1.00 0.00 C ATOM 180 C PRO A 75 -0.219 15.168 -7.342 1.00 0.00 C ATOM 181 O PRO A 75 -0.445 14.181 -6.640 1.00 0.00 O ATOM 182 CB PRO A 75 1.337 16.477 -8.813 1.00 0.00 C ATOM 183 CG PRO A 75 0.476 17.007 -9.906 1.00 0.00 C ATOM 184 CD PRO A 75 0.066 15.815 -10.725 1.00 0.00 C ATOM 0 HA PRO A 75 1.517 14.365 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.305 17.123 -7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.379 16.415 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.396 17.521 -9.501 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.019 17.730 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.933 15.939 -11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.744 15.651 -11.563 1.00 0.00 H new ATOM 192 N PHE A 76 -0.803 16.345 -7.144 1.00 0.00 N ATOM 193 CA PHE A 76 -1.764 16.550 -6.067 1.00 0.00 C ATOM 194 C PHE A 76 -2.415 17.926 -6.173 1.00 0.00 C ATOM 195 O PHE A 76 -2.267 18.619 -7.179 1.00 0.00 O ATOM 196 CB PHE A 76 -1.077 16.402 -4.707 1.00 0.00 C ATOM 197 CG PHE A 76 -0.075 17.483 -4.421 1.00 0.00 C ATOM 198 CD1 PHE A 76 1.090 17.581 -5.165 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.299 18.403 -3.409 1.00 0.00 C ATOM 200 CE1 PHE A 76 2.014 18.575 -4.903 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.621 19.400 -3.143 1.00 0.00 C ATOM 202 CZ PHE A 76 1.779 19.486 -3.892 1.00 0.00 C ATOM 0 H PHE A 76 -0.627 17.171 -7.715 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.542 15.792 -6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.835 16.404 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.577 15.434 -4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.278 16.873 -5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.203 18.340 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.919 18.639 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.435 20.110 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.499 20.264 -3.687 1.00 0.00 H new ATOM 212 N VAL A 77 -3.139 18.314 -5.128 1.00 0.00 N ATOM 213 CA VAL A 77 -3.813 19.606 -5.102 1.00 0.00 C ATOM 214 C VAL A 77 -3.150 20.552 -4.107 1.00 0.00 C ATOM 215 O VAL A 77 -3.586 20.698 -2.965 1.00 0.00 O ATOM 216 CB VAL A 77 -5.302 19.456 -4.736 1.00 0.00 C ATOM 217 CG1 VAL A 77 -5.984 20.815 -4.703 1.00 0.00 C ATOM 218 CG2 VAL A 77 -5.999 18.523 -5.716 1.00 0.00 C ATOM 0 H VAL A 77 -3.274 17.751 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.733 20.024 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.372 19.018 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.035 20.688 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.499 21.447 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.907 21.285 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.050 18.428 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.921 18.930 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.526 17.542 -5.684 1.00 0.00 H new ATOM 228 N PRO A 78 -2.069 21.213 -4.549 1.00 0.00 N ATOM 229 CA PRO A 78 -1.323 22.158 -3.714 1.00 0.00 C ATOM 230 C PRO A 78 -2.110 23.434 -3.436 1.00 0.00 C ATOM 231 O PRO A 78 -3.296 23.523 -3.752 1.00 0.00 O ATOM 232 CB PRO A 78 -0.081 22.468 -4.553 1.00 0.00 C ATOM 233 CG PRO A 78 -0.501 22.216 -5.960 1.00 0.00 C ATOM 234 CD PRO A 78 -1.494 21.088 -5.899 1.00 0.00 C ATOM 0 HA PRO A 78 -1.098 21.744 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.242 23.500 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.757 21.831 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.949 23.107 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.354 21.950 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.257 21.182 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.013 20.121 -6.043 1.00 0.00 H new ATOM 424 N LEU B 550 -6.837 14.549 8.710 1.00 0.00 N ATOM 425 CA LEU B 550 -7.627 14.111 7.565 1.00 0.00 C ATOM 426 C LEU B 550 -8.952 13.506 8.018 1.00 0.00 C ATOM 427 O LEU B 550 -9.910 13.438 7.248 1.00 0.00 O ATOM 428 CB LEU B 550 -6.843 13.090 6.740 1.00 0.00 C ATOM 429 CG LEU B 550 -5.339 13.338 6.618 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.723 12.394 5.597 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.067 14.787 6.239 1.00 0.00 C ATOM 0 HA LEU B 550 -7.839 14.983 6.946 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -6.994 12.104 7.180 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.268 13.060 5.737 1.00 0.00 H new ATOM 0 HG LEU B 550 -4.878 13.143 7.586 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.652 12.585 5.524 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.887 11.363 5.910 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -5.188 12.556 4.625 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -3.992 14.946 6.157 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -5.541 15.008 5.283 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.473 15.446 7.006 1.00 0.00 H new ATOM 443 N ALA B 551 -9.000 13.070 9.272 1.00 0.00 N ATOM 444 CA ALA B 551 -10.209 12.475 9.829 1.00 0.00 C ATOM 445 C ALA B 551 -11.368 13.466 9.808 1.00 0.00 C ATOM 446 O ALA B 551 -12.470 13.137 9.368 1.00 0.00 O ATOM 447 CB ALA B 551 -9.953 11.989 11.247 1.00 0.00 C ATOM 0 H ALA B 551 -8.215 13.118 9.922 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.484 11.622 9.209 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.864 11.547 11.650 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -9.160 11.241 11.238 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.651 12.830 11.871 1.00 0.00 H new ATOM 453 N SER B 552 -11.112 14.679 10.287 1.00 0.00 N ATOM 454 CA SER B 552 -12.136 15.716 10.328 1.00 0.00 C ATOM 455 C SER B 552 -12.040 16.623 9.104 1.00 0.00 C ATOM 456 O SER B 552 -12.450 17.782 9.144 1.00 0.00 O ATOM 457 CB SER B 552 -11.999 16.547 11.605 1.00 0.00 C ATOM 458 OG SER B 552 -13.159 17.330 11.830 1.00 0.00 O ATOM 0 H SER B 552 -10.204 14.968 10.652 1.00 0.00 H new ATOM 0 HA SER B 552 -13.111 15.230 10.323 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.831 15.887 12.456 1.00 0.00 H new ATOM 0 HB3 SER B 552 -11.127 17.197 11.528 1.00 0.00 H new ATOM 0 HG SER B 552 -13.405 17.796 11.004 1.00 0.00 H new ATOM 464 N ALA B 553 -11.494 16.085 8.019 1.00 0.00 N ATOM 465 CA ALA B 553 -11.345 16.843 6.783 1.00 0.00 C ATOM 466 C ALA B 553 -11.937 16.086 5.599 1.00 0.00 C ATOM 467 O ALA B 553 -12.135 14.872 5.644 1.00 0.00 O ATOM 468 CB ALA B 553 -9.878 17.157 6.530 1.00 0.00 C ATOM 0 H ALA B 553 -11.147 15.127 7.971 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.893 17.779 6.892 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.782 17.723 5.604 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.484 17.746 7.358 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.316 16.227 6.447 1.00 0.00 H new ATOM 474 N PRO B 554 -12.228 16.818 4.513 1.00 0.00 N ATOM 475 CA PRO B 554 -12.803 16.235 3.297 1.00 0.00 C ATOM 476 C PRO B 554 -11.810 15.349 2.554 1.00 0.00 C ATOM 477 O PRO B 554 -10.610 15.350 2.832 1.00 0.00 O ATOM 478 CB PRO B 554 -13.162 17.460 2.453 1.00 0.00 C ATOM 479 CG PRO B 554 -12.239 18.530 2.925 1.00 0.00 C ATOM 480 CD PRO B 554 -12.019 18.270 4.389 1.00 0.00 C ATOM 0 HA PRO B 554 -13.652 15.588 3.517 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.027 17.261 1.390 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.204 17.746 2.594 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.297 18.502 2.378 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.672 19.518 2.765 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.016 18.560 4.702 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.720 18.831 5.007 1.00 0.00 H new ATOM 488 N PRO B 555 -12.317 14.573 1.584 1.00 0.00 N ATOM 489 CA PRO B 555 -11.491 13.668 0.780 1.00 0.00 C ATOM 490 C PRO B 555 -10.565 14.419 -0.171 1.00 0.00 C ATOM 491 O PRO B 555 -9.700 13.821 -0.809 1.00 0.00 O ATOM 492 CB PRO B 555 -12.520 12.854 -0.008 1.00 0.00 C ATOM 493 CG PRO B 555 -13.721 13.731 -0.082 1.00 0.00 C ATOM 494 CD PRO B 555 -13.737 14.520 1.198 1.00 0.00 C ATOM 0 HA PRO B 555 -10.831 13.061 1.399 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.150 12.605 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.747 11.913 0.493 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.669 14.392 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.630 13.139 -0.187 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.151 15.518 1.050 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.343 14.034 1.962 1.00 0.00 H new ATOM 502 N GLN B 556 -10.754 15.732 -0.259 1.00 0.00 N ATOM 503 CA GLN B 556 -9.935 16.564 -1.133 1.00 0.00 C ATOM 504 C GLN B 556 -8.805 17.226 -0.352 1.00 0.00 C ATOM 505 O GLN B 556 -7.662 17.260 -0.805 1.00 0.00 O ATOM 506 CB GLN B 556 -10.797 17.631 -1.811 1.00 0.00 C ATOM 507 CG GLN B 556 -10.052 18.435 -2.864 1.00 0.00 C ATOM 508 CD GLN B 556 -10.957 19.394 -3.613 1.00 0.00 C ATOM 509 OE1 GLN B 556 -10.967 20.595 -3.344 1.00 0.00 O ATOM 510 NE2 GLN B 556 -11.722 18.866 -4.562 1.00 0.00 N ATOM 0 H GLN B 556 -11.466 16.242 0.264 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.496 15.923 -1.897 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.658 17.150 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -11.183 18.311 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -9.249 18.997 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -9.585 17.752 -3.574 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -11.681 17.865 -4.751 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -12.350 19.462 -5.101 1.00 0.00 H new ATOM 519 N GLU B 557 -9.134 17.753 0.824 1.00 0.00 N ATOM 520 CA GLU B 557 -8.146 18.415 1.667 1.00 0.00 C ATOM 521 C GLU B 557 -7.096 17.423 2.157 1.00 0.00 C ATOM 522 O GLU B 557 -6.014 17.814 2.593 1.00 0.00 O ATOM 523 CB GLU B 557 -8.829 19.084 2.862 1.00 0.00 C ATOM 524 CG GLU B 557 -7.899 19.963 3.681 1.00 0.00 C ATOM 525 CD GLU B 557 -8.244 21.436 3.574 1.00 0.00 C ATOM 526 OE1 GLU B 557 -9.448 21.761 3.515 1.00 0.00 O ATOM 527 OE2 GLU B 557 -7.308 22.263 3.549 1.00 0.00 O ATOM 0 H GLU B 557 -10.076 17.734 1.214 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.648 19.178 1.068 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.662 19.687 2.502 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -9.249 18.313 3.508 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -7.944 19.658 4.727 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -6.873 19.809 3.348 1.00 0.00 H new ATOM 534 N GLN B 558 -7.424 16.137 2.082 1.00 0.00 N ATOM 535 CA GLN B 558 -6.510 15.089 2.519 1.00 0.00 C ATOM 536 C GLN B 558 -5.179 15.184 1.780 1.00 0.00 C ATOM 537 O GLN B 558 -4.140 15.452 2.383 1.00 0.00 O ATOM 538 CB GLN B 558 -7.135 13.711 2.292 1.00 0.00 C ATOM 539 CG GLN B 558 -8.421 13.491 3.072 1.00 0.00 C ATOM 540 CD GLN B 558 -8.458 12.144 3.768 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.766 11.207 3.370 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.269 12.041 4.814 1.00 0.00 N ATOM 0 H GLN B 558 -8.316 15.796 1.723 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.324 15.225 3.584 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.338 13.584 1.229 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.414 12.943 2.572 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.532 14.282 3.814 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.271 13.569 2.394 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.825 12.844 5.109 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.336 11.159 5.322 1.00 0.00 H new ATOM 551 N LYS B 559 -5.218 14.963 0.470 1.00 0.00 N ATOM 552 CA LYS B 559 -4.016 15.025 -0.353 1.00 0.00 C ATOM 553 C LYS B 559 -3.361 16.399 -0.257 1.00 0.00 C ATOM 554 O LYS B 559 -2.143 16.525 -0.376 1.00 0.00 O ATOM 555 CB LYS B 559 -4.355 14.711 -1.812 1.00 0.00 C ATOM 556 CG LYS B 559 -5.553 15.484 -2.338 1.00 0.00 C ATOM 557 CD LYS B 559 -5.726 15.291 -3.835 1.00 0.00 C ATOM 558 CE LYS B 559 -7.146 15.611 -4.277 1.00 0.00 C ATOM 559 NZ LYS B 559 -7.426 15.110 -5.651 1.00 0.00 N ATOM 0 H LYS B 559 -6.070 14.739 -0.045 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.313 14.280 0.019 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.488 14.934 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -4.551 13.643 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.455 15.156 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.428 16.544 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -5.024 15.932 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -5.484 14.262 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -7.853 15.166 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -7.302 16.689 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -8.403 15.348 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -6.768 15.554 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -7.302 14.078 -5.676 1.00 0.00 H new ATOM 573 N GLN B 560 -4.177 17.425 -0.039 1.00 0.00 N ATOM 574 CA GLN B 560 -3.675 18.789 0.074 1.00 0.00 C ATOM 575 C GLN B 560 -2.700 18.916 1.240 1.00 0.00 C ATOM 576 O GLN B 560 -1.511 19.161 1.043 1.00 0.00 O ATOM 577 CB GLN B 560 -4.836 19.769 0.256 1.00 0.00 C ATOM 578 CG GLN B 560 -5.726 19.893 -0.971 1.00 0.00 C ATOM 579 CD GLN B 560 -6.139 21.324 -1.250 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.323 21.620 -1.414 1.00 0.00 O ATOM 581 NE2 GLN B 560 -5.162 22.222 -1.306 1.00 0.00 N ATOM 0 H GLN B 560 -5.188 17.338 0.063 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.145 19.031 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.442 19.448 1.103 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.435 20.752 0.505 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.200 19.495 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -6.618 19.282 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -4.194 21.932 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -5.379 23.201 -1.491 1.00 0.00 H new ATOM 590 N MET B 561 -3.213 18.747 2.454 1.00 0.00 N ATOM 591 CA MET B 561 -2.386 18.842 3.652 1.00 0.00 C ATOM 592 C MET B 561 -1.293 17.779 3.644 1.00 0.00 C ATOM 593 O MET B 561 -0.109 18.090 3.777 1.00 0.00 O ATOM 594 CB MET B 561 -3.250 18.693 4.907 1.00 0.00 C ATOM 595 CG MET B 561 -4.440 19.638 4.941 1.00 0.00 C ATOM 596 SD MET B 561 -5.640 19.197 6.212 1.00 0.00 S ATOM 597 CE MET B 561 -6.282 17.660 5.553 1.00 0.00 C ATOM 0 H MET B 561 -4.196 18.544 2.635 1.00 0.00 H new ATOM 0 HA MET B 561 -1.913 19.824 3.660 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.610 17.666 4.971 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.631 18.869 5.787 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.087 20.654 5.117 1.00 0.00 H new ATOM 0 HG3 MET B 561 -4.930 19.635 3.967 1.00 0.00 H new ATOM 0 HE1 MET B 561 -6.541 16.992 6.374 1.00 0.00 H new ATOM 0 HE2 MET B 561 -7.171 17.863 4.956 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.525 17.188 4.927 1.00 0.00 H new ATOM 607 N LEU B 562 -1.697 16.523 3.487 1.00 0.00 N ATOM 608 CA LEU B 562 -0.751 15.412 3.461 1.00 0.00 C ATOM 609 C LEU B 562 0.372 15.677 2.463 1.00 0.00 C ATOM 610 O LEU B 562 1.543 15.741 2.834 1.00 0.00 O ATOM 611 CB LEU B 562 -1.471 14.111 3.103 1.00 0.00 C ATOM 612 CG LEU B 562 -0.614 12.845 3.114 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.421 11.658 3.616 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.059 12.566 1.725 1.00 0.00 C ATOM 0 H LEU B 562 -2.673 16.248 3.376 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.314 15.316 4.455 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.297 13.973 3.800 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -1.907 14.222 2.110 1.00 0.00 H new ATOM 0 HG LEU B 562 0.223 13.002 3.794 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.794 10.766 3.617 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.770 11.857 4.629 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.278 11.498 2.962 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.549 11.661 1.751 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.883 12.430 1.025 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.556 13.407 1.403 1.00 0.00 H new ATOM 626 N GLY B 563 0.005 15.831 1.195 1.00 0.00 N ATOM 627 CA GLY B 563 0.993 16.088 0.163 1.00 0.00 C ATOM 628 C GLY B 563 1.801 17.342 0.434 1.00 0.00 C ATOM 629 O GLY B 563 2.974 17.422 0.072 1.00 0.00 O ATOM 0 H GLY B 563 -0.958 15.782 0.864 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.667 15.234 0.088 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.492 16.183 -0.800 1.00 0.00 H new ATOM 633 N GLU B 564 1.171 18.324 1.072 1.00 0.00 N ATOM 634 CA GLU B 564 1.840 19.580 1.389 1.00 0.00 C ATOM 635 C GLU B 564 2.981 19.356 2.377 1.00 0.00 C ATOM 636 O GLU B 564 4.087 19.863 2.191 1.00 0.00 O ATOM 637 CB GLU B 564 0.840 20.584 1.966 1.00 0.00 C ATOM 638 CG GLU B 564 0.201 21.479 0.917 1.00 0.00 C ATOM 639 CD GLU B 564 -1.016 22.216 1.442 1.00 0.00 C ATOM 640 OE1 GLU B 564 -0.858 23.031 2.374 1.00 0.00 O ATOM 641 OE2 GLU B 564 -2.125 21.977 0.920 1.00 0.00 O ATOM 0 H GLU B 564 0.200 18.274 1.379 1.00 0.00 H new ATOM 0 HA GLU B 564 2.257 19.983 0.466 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.056 20.041 2.494 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.348 21.207 2.702 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.936 22.203 0.566 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.088 20.875 0.057 1.00 0.00 H new ATOM 648 N ARG B 565 2.702 18.592 3.429 1.00 0.00 N ATOM 649 CA ARG B 565 3.703 18.302 4.448 1.00 0.00 C ATOM 650 C ARG B 565 4.697 17.255 3.952 1.00 0.00 C ATOM 651 O ARG B 565 5.868 17.265 4.333 1.00 0.00 O ATOM 652 CB ARG B 565 3.029 17.812 5.731 1.00 0.00 C ATOM 653 CG ARG B 565 3.672 18.347 7.000 1.00 0.00 C ATOM 654 CD ARG B 565 3.315 17.495 8.208 1.00 0.00 C ATOM 655 NE ARG B 565 4.413 17.418 9.167 1.00 0.00 N ATOM 656 CZ ARG B 565 4.526 16.460 10.080 1.00 0.00 C ATOM 657 NH1 ARG B 565 3.612 15.502 10.157 1.00 0.00 N ATOM 658 NH2 ARG B 565 5.554 16.458 10.919 1.00 0.00 N ATOM 0 H ARG B 565 1.792 18.163 3.597 1.00 0.00 H new ATOM 0 HA ARG B 565 4.246 19.223 4.660 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.979 18.105 5.714 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.056 16.723 5.752 1.00 0.00 H new ATOM 0 HG2 ARG B 565 4.755 18.371 6.878 1.00 0.00 H new ATOM 0 HG3 ARG B 565 3.347 19.374 7.169 1.00 0.00 H new ATOM 0 HD2 ARG B 565 2.435 17.911 8.698 1.00 0.00 H new ATOM 0 HD3 ARG B 565 3.051 16.490 7.878 1.00 0.00 H new ATOM 0 HE ARG B 565 5.133 18.140 9.134 1.00 0.00 H new ATOM 0 HH11 ARG B 565 2.820 15.500 9.514 1.00 0.00 H new ATOM 0 HH12 ARG B 565 3.701 14.767 10.859 1.00 0.00 H new ATOM 0 HH21 ARG B 565 6.259 17.193 10.863 1.00 0.00 H new ATOM 0 HH22 ARG B 565 5.639 15.722 11.620 1.00 0.00 H new ATOM 672 N LEU B 566 4.221 16.353 3.101 1.00 0.00 N ATOM 673 CA LEU B 566 5.067 15.298 2.552 1.00 0.00 C ATOM 674 C LEU B 566 5.995 15.850 1.474 1.00 0.00 C ATOM 675 O LEU B 566 7.077 15.312 1.238 1.00 0.00 O ATOM 676 CB LEU B 566 4.205 14.175 1.973 1.00 0.00 C ATOM 677 CG LEU B 566 4.075 12.918 2.832 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.816 12.981 3.684 1.00 0.00 C ATOM 679 CD2 LEU B 566 4.067 11.672 1.958 1.00 0.00 C ATOM 0 H LEU B 566 3.254 16.331 2.776 1.00 0.00 H new ATOM 0 HA LEU B 566 5.678 14.898 3.361 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.206 14.570 1.788 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.618 13.889 1.006 1.00 0.00 H new ATOM 0 HG LEU B 566 4.937 12.866 3.497 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.740 12.077 4.289 1.00 0.00 H new ATOM 0 HD12 LEU B 566 2.862 13.852 4.337 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.942 13.059 3.037 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.974 10.787 2.587 1.00 0.00 H new ATOM 0 HD22 LEU B 566 3.224 11.717 1.268 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.997 11.619 1.392 1.00 0.00 H new ATOM 691 N PHE B 567 5.565 16.927 0.826 1.00 0.00 N ATOM 692 CA PHE B 567 6.358 17.553 -0.226 1.00 0.00 C ATOM 693 C PHE B 567 7.794 17.782 0.238 1.00 0.00 C ATOM 694 O PHE B 567 8.752 17.297 -0.364 1.00 0.00 O ATOM 695 CB PHE B 567 5.728 18.882 -0.647 1.00 0.00 C ATOM 696 CG PHE B 567 6.717 19.864 -1.205 1.00 0.00 C ATOM 697 CD1 PHE B 567 7.535 19.516 -2.269 1.00 0.00 C ATOM 698 CD2 PHE B 567 6.831 21.136 -0.667 1.00 0.00 C ATOM 699 CE1 PHE B 567 8.446 20.418 -2.785 1.00 0.00 C ATOM 700 CE2 PHE B 567 7.740 22.042 -1.179 1.00 0.00 C ATOM 701 CZ PHE B 567 8.549 21.682 -2.239 1.00 0.00 C ATOM 0 H PHE B 567 4.672 17.385 1.010 1.00 0.00 H new ATOM 0 HA PHE B 567 6.375 16.879 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.958 18.689 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE B 567 5.231 19.328 0.214 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.459 18.528 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE B 567 6.202 21.423 0.163 1.00 0.00 H new ATOM 0 HE1 PHE B 567 9.077 20.134 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE B 567 7.818 23.030 -0.751 1.00 0.00 H new ATOM 0 HZ PHE B 567 9.261 22.388 -2.640 1.00 0.00 H new ATOM 711 N PRO B 568 7.947 18.539 1.334 1.00 0.00 N ATOM 712 CA PRO B 568 9.261 18.850 1.904 1.00 0.00 C ATOM 713 C PRO B 568 9.923 17.630 2.535 1.00 0.00 C ATOM 714 O PRO B 568 11.127 17.416 2.384 1.00 0.00 O ATOM 715 CB PRO B 568 8.945 19.899 2.973 1.00 0.00 C ATOM 716 CG PRO B 568 7.528 19.639 3.351 1.00 0.00 C ATOM 717 CD PRO B 568 6.849 19.149 2.102 1.00 0.00 C ATOM 0 HA PRO B 568 9.963 19.193 1.144 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.608 19.801 3.832 1.00 0.00 H new ATOM 0 HB3 PRO B 568 9.072 20.910 2.586 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.466 18.896 4.146 1.00 0.00 H new ATOM 0 HG3 PRO B 568 7.051 20.545 3.724 1.00 0.00 H new ATOM 0 HD2 PRO B 568 6.066 18.425 2.328 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.380 19.965 1.553 1.00 0.00 H new ATOM 725 N LEU B 569 9.130 16.832 3.242 1.00 0.00 N ATOM 726 CA LEU B 569 9.639 15.631 3.895 1.00 0.00 C ATOM 727 C LEU B 569 10.420 14.765 2.912 1.00 0.00 C ATOM 728 O LEU B 569 11.431 14.159 3.270 1.00 0.00 O ATOM 729 CB LEU B 569 8.486 14.826 4.498 1.00 0.00 C ATOM 730 CG LEU B 569 8.841 13.930 5.685 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.806 12.835 5.257 1.00 0.00 C ATOM 732 CD2 LEU B 569 9.435 14.755 6.817 1.00 0.00 C ATOM 0 H LEU B 569 8.132 16.995 3.378 1.00 0.00 H new ATOM 0 HA LEU B 569 10.314 15.940 4.693 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.709 15.523 4.814 1.00 0.00 H new ATOM 0 HB3 LEU B 569 8.056 14.203 3.714 1.00 0.00 H new ATOM 0 HG LEU B 569 7.927 13.459 6.047 1.00 0.00 H new ATOM 0 HD11 LEU B 569 10.047 12.207 6.115 1.00 0.00 H new ATOM 0 HD12 LEU B 569 9.344 12.226 4.480 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.719 13.286 4.869 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.682 14.101 7.653 1.00 0.00 H new ATOM 0 HD22 LEU B 569 10.339 15.254 6.468 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.711 15.502 7.142 1.00 0.00 H new ATOM 744 N ILE B 570 9.946 14.713 1.672 1.00 0.00 N ATOM 745 CA ILE B 570 10.602 13.924 0.637 1.00 0.00 C ATOM 746 C ILE B 570 11.869 14.612 0.141 1.00 0.00 C ATOM 747 O ILE B 570 12.848 13.953 -0.209 1.00 0.00 O ATOM 748 CB ILE B 570 9.665 13.675 -0.560 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.489 12.791 -0.139 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.430 13.035 -1.708 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.431 12.642 -1.211 1.00 0.00 C ATOM 0 H ILE B 570 9.110 15.208 1.360 1.00 0.00 H new ATOM 0 HA ILE B 570 10.864 12.967 1.089 1.00 0.00 H new ATOM 0 HB ILE B 570 9.272 14.633 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.865 11.804 0.129 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.031 13.212 0.756 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.754 12.865 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.237 13.697 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.848 12.083 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.628 12.003 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE B 570 7.028 13.623 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.874 12.193 -2.100 1.00 0.00 H new ATOM 763 N GLN B 571 11.843 15.941 0.115 1.00 0.00 N ATOM 764 CA GLN B 571 12.991 16.718 -0.337 1.00 0.00 C ATOM 765 C GLN B 571 14.231 16.387 0.487 1.00 0.00 C ATOM 766 O GLN B 571 15.358 16.620 0.051 1.00 0.00 O ATOM 767 CB GLN B 571 12.687 18.215 -0.245 1.00 0.00 C ATOM 768 CG GLN B 571 11.630 18.683 -1.232 1.00 0.00 C ATOM 769 CD GLN B 571 11.395 20.179 -1.170 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.145 20.736 -0.101 1.00 0.00 O ATOM 771 NE2 GLN B 571 11.476 20.840 -2.319 1.00 0.00 N ATOM 0 H GLN B 571 11.040 16.501 0.401 1.00 0.00 H new ATOM 0 HA GLN B 571 13.189 16.457 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.356 18.448 0.767 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.606 18.775 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN B 571 11.935 18.409 -2.242 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.694 18.163 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN B 571 11.686 20.339 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN B 571 11.329 21.849 -2.338 1.00 0.00 H new ATOM 780 N ALA B 572 14.015 15.844 1.680 1.00 0.00 N ATOM 781 CA ALA B 572 15.115 15.480 2.564 1.00 0.00 C ATOM 782 C ALA B 572 16.135 14.607 1.841 1.00 0.00 C ATOM 783 O ALA B 572 17.337 14.706 2.088 1.00 0.00 O ATOM 784 CB ALA B 572 14.586 14.763 3.798 1.00 0.00 C ATOM 0 H ALA B 572 13.088 15.646 2.057 1.00 0.00 H new ATOM 0 HA ALA B 572 15.616 16.397 2.876 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.419 14.497 4.449 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.901 15.419 4.335 1.00 0.00 H new ATOM 0 HB3 ALA B 572 14.059 13.858 3.495 1.00 0.00 H new ATOM 790 N MET B 573 15.648 13.753 0.947 1.00 0.00 N ATOM 791 CA MET B 573 16.519 12.864 0.187 1.00 0.00 C ATOM 792 C MET B 573 16.474 13.200 -1.301 1.00 0.00 C ATOM 793 O MET B 573 17.480 13.090 -2.002 1.00 0.00 O ATOM 794 CB MET B 573 16.109 11.406 0.404 1.00 0.00 C ATOM 795 CG MET B 573 14.653 11.127 0.070 1.00 0.00 C ATOM 796 SD MET B 573 13.799 10.228 1.379 1.00 0.00 S ATOM 797 CE MET B 573 12.836 11.544 2.121 1.00 0.00 C ATOM 0 H MET B 573 14.656 13.658 0.731 1.00 0.00 H new ATOM 0 HA MET B 573 17.540 13.004 0.543 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.743 10.764 -0.208 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.292 11.137 1.444 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.139 12.071 -0.112 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.600 10.552 -0.854 1.00 0.00 H new ATOM 0 HE1 MET B 573 13.024 11.572 3.194 1.00 0.00 H new ATOM 0 HE2 MET B 573 13.121 12.498 1.677 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.776 11.364 1.943 1.00 0.00 H new ATOM 807 N HIS B 574 15.302 13.610 -1.776 1.00 0.00 N ATOM 808 CA HIS B 574 15.128 13.962 -3.180 1.00 0.00 C ATOM 809 C HIS B 574 14.446 15.320 -3.319 1.00 0.00 C ATOM 810 O HIS B 574 13.259 15.416 -3.631 1.00 0.00 O ATOM 811 CB HIS B 574 14.307 12.890 -3.899 1.00 0.00 C ATOM 812 CG HIS B 574 15.143 11.821 -4.533 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.291 10.562 -3.992 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.876 11.829 -5.671 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.081 9.841 -4.769 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.449 10.587 -5.795 1.00 0.00 N ATOM 0 H HIS B 574 14.459 13.706 -1.209 1.00 0.00 H new ATOM 0 HA HIS B 574 16.115 14.022 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.622 12.430 -3.187 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.696 13.365 -4.667 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.989 12.658 -6.354 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.375 8.817 -4.595 1.00 0.00 H new ATOM 0 HE2 HIS B 574 17.060 10.289 -6.556 1.00 0.00 H new ATOM 824 N PRO B 575 15.212 16.395 -3.082 1.00 0.00 N ATOM 825 CA PRO B 575 14.703 17.766 -3.174 1.00 0.00 C ATOM 826 C PRO B 575 14.400 18.177 -4.611 1.00 0.00 C ATOM 827 O PRO B 575 13.844 19.247 -4.859 1.00 0.00 O ATOM 828 CB PRO B 575 15.848 18.609 -2.607 1.00 0.00 C ATOM 829 CG PRO B 575 17.070 17.788 -2.833 1.00 0.00 C ATOM 830 CD PRO B 575 16.635 16.354 -2.706 1.00 0.00 C ATOM 0 HA PRO B 575 13.761 17.887 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.919 19.572 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.700 18.816 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.493 17.982 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.842 18.028 -2.102 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.206 15.701 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.772 15.981 -1.691 1.00 0.00 H new ATOM 838 N THR B 576 14.770 17.319 -5.558 1.00 0.00 N ATOM 839 CA THR B 576 14.539 17.593 -6.970 1.00 0.00 C ATOM 840 C THR B 576 13.310 16.849 -7.481 1.00 0.00 C ATOM 841 O THR B 576 12.421 17.445 -8.091 1.00 0.00 O ATOM 842 CB THR B 576 15.757 17.196 -7.826 1.00 0.00 C ATOM 843 OG1 THR B 576 16.357 16.005 -7.302 1.00 0.00 O ATOM 844 CG2 THR B 576 16.785 18.316 -7.857 1.00 0.00 C ATOM 0 H THR B 576 15.231 16.428 -5.371 1.00 0.00 H new ATOM 0 HA THR B 576 14.374 18.667 -7.060 1.00 0.00 H new ATOM 0 HB THR B 576 15.413 17.012 -8.844 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.129 15.758 -7.853 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.636 18.012 -8.467 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.334 19.212 -8.283 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.123 18.527 -6.843 1.00 0.00 H new ATOM 852 N LEU B 577 13.264 15.546 -7.227 1.00 0.00 N ATOM 853 CA LEU B 577 12.142 14.721 -7.660 1.00 0.00 C ATOM 854 C LEU B 577 11.065 14.657 -6.582 1.00 0.00 C ATOM 855 O LEU B 577 10.153 13.834 -6.650 1.00 0.00 O ATOM 856 CB LEU B 577 12.624 13.310 -8.001 1.00 0.00 C ATOM 857 CG LEU B 577 13.579 13.195 -9.190 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.060 14.001 -10.371 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.975 13.656 -8.799 1.00 0.00 C ATOM 0 H LEU B 577 13.991 15.038 -6.723 1.00 0.00 H new ATOM 0 HA LEU B 577 11.710 15.176 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.118 12.894 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.751 12.688 -8.200 1.00 0.00 H new ATOM 0 HG LEU B 577 13.634 12.148 -9.488 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.752 13.907 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.081 13.624 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU B 577 12.975 15.050 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.641 13.567 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.937 14.696 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.348 13.035 -7.984 1.00 0.00 H new ATOM 871 N ALA B 578 11.177 15.532 -5.589 1.00 0.00 N ATOM 872 CA ALA B 578 10.210 15.578 -4.498 1.00 0.00 C ATOM 873 C ALA B 578 8.785 15.676 -5.032 1.00 0.00 C ATOM 874 O ALA B 578 7.926 14.866 -4.686 1.00 0.00 O ATOM 875 CB ALA B 578 10.512 16.749 -3.575 1.00 0.00 C ATOM 0 H ALA B 578 11.927 16.219 -5.517 1.00 0.00 H new ATOM 0 HA ALA B 578 10.294 14.651 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.783 16.772 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.513 16.635 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.457 17.680 -4.139 1.00 0.00 H new ATOM 881 N GLY B 579 8.541 16.674 -5.876 1.00 0.00 N ATOM 882 CA GLY B 579 7.218 16.859 -6.443 1.00 0.00 C ATOM 883 C GLY B 579 6.663 15.586 -7.050 1.00 0.00 C ATOM 884 O GLY B 579 5.537 15.187 -6.753 1.00 0.00 O ATOM 0 H GLY B 579 9.236 17.357 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.540 17.213 -5.667 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.259 17.634 -7.208 1.00 0.00 H new ATOM 888 N LYS B 580 7.455 14.945 -7.903 1.00 0.00 N ATOM 889 CA LYS B 580 7.038 13.709 -8.554 1.00 0.00 C ATOM 890 C LYS B 580 6.807 12.604 -7.528 1.00 0.00 C ATOM 891 O LYS B 580 5.783 11.922 -7.556 1.00 0.00 O ATOM 892 CB LYS B 580 8.091 13.263 -9.571 1.00 0.00 C ATOM 893 CG LYS B 580 7.980 13.970 -10.911 1.00 0.00 C ATOM 894 CD LYS B 580 6.868 13.380 -11.762 1.00 0.00 C ATOM 895 CE LYS B 580 7.175 13.508 -13.246 1.00 0.00 C ATOM 896 NZ LYS B 580 8.413 12.771 -13.623 1.00 0.00 N ATOM 0 H LYS B 580 8.390 15.262 -8.160 1.00 0.00 H new ATOM 0 HA LYS B 580 6.099 13.901 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.083 13.442 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS B 580 8.000 12.188 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS B 580 7.791 15.031 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS B 580 8.928 13.892 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS B 580 6.732 12.329 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS B 580 5.929 13.887 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS B 580 6.334 13.125 -13.825 1.00 0.00 H new ATOM 0 HE3 LYS B 580 7.287 14.561 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 8.948 13.325 -14.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 8.999 12.622 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 8.157 11.850 -14.034 1.00 0.00 H new ATOM 910 N ILE B 581 7.765 12.435 -6.623 1.00 0.00 N ATOM 911 CA ILE B 581 7.664 11.415 -5.586 1.00 0.00 C ATOM 912 C ILE B 581 6.383 11.579 -4.776 1.00 0.00 C ATOM 913 O ILE B 581 5.540 10.682 -4.735 1.00 0.00 O ATOM 914 CB ILE B 581 8.872 11.461 -4.631 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.170 11.220 -5.404 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.710 10.431 -3.523 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.364 11.943 -4.820 1.00 0.00 C ATOM 0 H ILE B 581 8.620 12.991 -6.587 1.00 0.00 H new ATOM 0 HA ILE B 581 7.649 10.450 -6.093 1.00 0.00 H new ATOM 0 HB ILE B 581 8.920 12.451 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.378 10.150 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.032 11.538 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.571 10.475 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.802 10.644 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.640 9.435 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.249 11.727 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.177 13.017 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.528 11.607 -3.796 1.00 0.00 H new ATOM 929 N THR B 582 6.240 12.734 -4.132 1.00 0.00 N ATOM 930 CA THR B 582 5.062 13.017 -3.323 1.00 0.00 C ATOM 931 C THR B 582 3.786 12.889 -4.147 1.00 0.00 C ATOM 932 O THR B 582 2.741 12.491 -3.633 1.00 0.00 O ATOM 933 CB THR B 582 5.126 14.430 -2.713 1.00 0.00 C ATOM 934 OG1 THR B 582 4.118 14.576 -1.706 1.00 0.00 O ATOM 935 CG2 THR B 582 4.935 15.492 -3.786 1.00 0.00 C ATOM 0 H THR B 582 6.926 13.488 -4.156 1.00 0.00 H new ATOM 0 HA THR B 582 5.047 12.282 -2.518 1.00 0.00 H new ATOM 0 HB THR B 582 6.110 14.563 -2.263 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.167 15.477 -1.322 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.984 16.481 -3.331 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.721 15.398 -4.535 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.963 15.359 -4.261 1.00 0.00 H new ATOM 943 N GLY B 583 3.878 13.229 -5.429 1.00 0.00 N ATOM 944 CA GLY B 583 2.723 13.144 -6.304 1.00 0.00 C ATOM 945 C GLY B 583 2.192 11.729 -6.428 1.00 0.00 C ATOM 946 O GLY B 583 1.043 11.458 -6.079 1.00 0.00 O ATOM 0 H GLY B 583 4.732 13.562 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.934 13.793 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.992 13.516 -7.293 1.00 0.00 H new ATOM 950 N MET B 584 3.029 10.826 -6.927 1.00 0.00 N ATOM 951 CA MET B 584 2.637 9.432 -7.096 1.00 0.00 C ATOM 952 C MET B 584 2.325 8.788 -5.749 1.00 0.00 C ATOM 953 O MET B 584 1.341 8.060 -5.611 1.00 0.00 O ATOM 954 CB MET B 584 3.745 8.651 -7.804 1.00 0.00 C ATOM 955 CG MET B 584 4.152 9.249 -9.141 1.00 0.00 C ATOM 956 SD MET B 584 5.699 8.565 -9.766 1.00 0.00 S ATOM 957 CE MET B 584 6.872 9.267 -8.609 1.00 0.00 C ATOM 0 H MET B 584 3.983 11.035 -7.221 1.00 0.00 H new ATOM 0 HA MET B 584 1.736 9.405 -7.708 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.619 8.607 -7.154 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.412 7.625 -7.961 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.361 9.072 -9.870 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.253 10.329 -9.036 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.828 8.751 -8.702 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.008 10.326 -8.827 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.495 9.151 -7.593 1.00 0.00 H new ATOM 967 N LEU B 585 3.169 9.058 -4.760 1.00 0.00 N ATOM 968 CA LEU B 585 2.983 8.505 -3.423 1.00 0.00 C ATOM 969 C LEU B 585 1.665 8.975 -2.817 1.00 0.00 C ATOM 970 O LEU B 585 1.058 8.275 -2.004 1.00 0.00 O ATOM 971 CB LEU B 585 4.147 8.908 -2.516 1.00 0.00 C ATOM 972 CG LEU B 585 5.347 7.960 -2.501 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.748 7.585 -3.919 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.517 8.592 -1.763 1.00 0.00 C ATOM 0 H LEU B 585 3.989 9.657 -4.858 1.00 0.00 H new ATOM 0 HA LEU B 585 2.955 7.419 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.494 9.895 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.771 9.002 -1.497 1.00 0.00 H new ATOM 0 HG LEU B 585 5.060 7.050 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.603 6.910 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU B 585 4.913 7.090 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.016 8.486 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.362 7.903 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.804 9.518 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.225 8.809 -0.735 1.00 0.00 H new ATOM 986 N LEU B 586 1.225 10.162 -3.219 1.00 0.00 N ATOM 987 CA LEU B 586 -0.024 10.725 -2.718 1.00 0.00 C ATOM 988 C LEU B 586 -1.221 10.145 -3.464 1.00 0.00 C ATOM 989 O LEU B 586 -2.348 10.180 -2.970 1.00 0.00 O ATOM 990 CB LEU B 586 -0.011 12.248 -2.856 1.00 0.00 C ATOM 991 CG LEU B 586 -1.310 12.967 -2.489 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.014 14.335 -1.895 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.211 13.096 -3.708 1.00 0.00 C ATOM 0 H LEU B 586 1.715 10.753 -3.891 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.115 10.463 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.789 12.643 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.240 12.497 -3.887 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.831 12.373 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -1.950 14.831 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.409 14.218 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.470 14.938 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.131 13.610 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.697 13.667 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.452 12.104 -4.089 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.968 9.611 -4.654 1.00 0.00 N ATOM 1006 CA GLU B 587 -2.026 9.022 -5.467 1.00 0.00 C ATOM 1007 C GLU B 587 -2.403 7.637 -4.949 1.00 0.00 C ATOM 1008 O GLU B 587 -3.563 7.379 -4.624 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.584 8.928 -6.929 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.624 8.298 -7.840 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.995 9.192 -9.007 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -3.040 10.426 -8.818 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -3.239 8.659 -10.110 1.00 0.00 O ATOM 0 H GLU B 587 -0.040 9.574 -5.077 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.902 9.667 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -1.351 9.928 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.664 8.346 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -2.242 7.350 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -3.520 8.072 -7.261 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.416 6.750 -4.875 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.644 5.392 -4.396 1.00 0.00 C ATOM 1022 C ILE B 588 -2.715 5.365 -3.310 1.00 0.00 C ATOM 1023 O ILE B 588 -3.769 4.752 -3.479 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.351 4.766 -3.842 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.618 5.860 -3.388 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.299 3.878 -4.893 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.618 5.391 -2.355 1.00 0.00 C ATOM 0 H ILE B 588 -0.451 6.947 -5.141 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.983 4.808 -5.252 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.604 4.150 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.156 6.241 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.047 6.692 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.212 3.442 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.390 3.081 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.541 4.474 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.272 6.218 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.089 5.037 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.215 4.579 -2.769 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.437 6.034 -2.196 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.377 6.089 -1.083 1.00 0.00 C ATOM 1041 C ASP B 589 -2.766 6.821 0.108 1.00 0.00 C ATOM 1042 O ASP B 589 -1.811 6.344 0.719 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.794 4.677 -0.670 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.206 4.339 -1.109 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.084 5.220 -1.011 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.431 3.192 -1.550 1.00 0.00 O ATOM 0 H ASP B 589 -1.568 6.546 -2.040 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.259 6.639 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.100 3.956 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.721 4.582 0.413 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.324 7.984 0.431 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.833 8.783 1.547 1.00 0.00 C ATOM 1053 C ASN B 590 -2.766 7.951 2.824 1.00 0.00 C ATOM 1054 O ASN B 590 -1.776 7.996 3.555 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.734 10.000 1.766 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.526 11.070 0.712 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.432 11.215 0.166 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.577 11.828 0.422 1.00 0.00 N ATOM 0 H ASN B 590 -4.116 8.393 -0.065 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.827 9.123 1.302 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.777 9.683 1.757 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.537 10.422 2.752 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.496 12.565 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.465 11.673 0.899 1.00 0.00 H new ATOM 1065 N SER B 591 -3.824 7.191 3.085 1.00 0.00 N ATOM 1066 CA SER B 591 -3.887 6.350 4.275 1.00 0.00 C ATOM 1067 C SER B 591 -2.634 5.488 4.398 1.00 0.00 C ATOM 1068 O SER B 591 -2.050 5.376 5.475 1.00 0.00 O ATOM 1069 CB SER B 591 -5.130 5.459 4.230 1.00 0.00 C ATOM 1070 OG SER B 591 -5.623 5.205 5.534 1.00 0.00 O ATOM 0 H SER B 591 -4.650 7.140 2.489 1.00 0.00 H new ATOM 0 HA SER B 591 -3.946 7.001 5.147 1.00 0.00 H new ATOM 0 HB2 SER B 591 -5.904 5.940 3.632 1.00 0.00 H new ATOM 0 HB3 SER B 591 -4.888 4.516 3.739 1.00 0.00 H new ATOM 0 HG SER B 591 -6.418 4.635 5.478 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.228 4.883 3.287 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.045 4.031 3.270 1.00 0.00 C ATOM 1078 C GLU B 592 0.198 4.818 3.675 1.00 0.00 C ATOM 1079 O GLU B 592 1.064 4.310 4.388 1.00 0.00 O ATOM 1080 CB GLU B 592 -0.847 3.422 1.881 1.00 0.00 C ATOM 1081 CG GLU B 592 0.255 2.377 1.825 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.227 0.998 2.234 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.391 0.662 1.930 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.560 0.256 2.857 1.00 0.00 O ATOM 0 H GLU B 592 -2.701 4.967 2.387 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.197 3.228 3.992 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.783 2.968 1.556 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.617 4.219 1.174 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.657 2.332 0.813 1.00 0.00 H new ATOM 0 HG3 GLU B 592 1.072 2.681 2.479 1.00 0.00 H new ATOM 1091 N LEU B 593 0.280 6.061 3.213 1.00 0.00 N ATOM 1092 CA LEU B 593 1.417 6.920 3.526 1.00 0.00 C ATOM 1093 C LEU B 593 1.477 7.222 5.019 1.00 0.00 C ATOM 1094 O LEU B 593 2.557 7.283 5.609 1.00 0.00 O ATOM 1095 CB LEU B 593 1.328 8.225 2.733 1.00 0.00 C ATOM 1096 CG LEU B 593 0.721 8.120 1.333 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.808 9.457 0.612 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.417 7.032 0.530 1.00 0.00 C ATOM 0 H LEU B 593 -0.427 6.496 2.621 1.00 0.00 H new ATOM 0 HA LEU B 593 2.328 6.392 3.245 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.739 8.938 3.310 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.332 8.641 2.642 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.331 7.852 1.433 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.371 9.363 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.262 10.212 1.178 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.853 9.755 0.523 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.972 6.972 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.477 7.269 0.439 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.302 6.075 1.038 1.00 0.00 H new ATOM 1110 N LEU B 594 0.310 7.409 5.627 1.00 0.00 N ATOM 1111 CA LEU B 594 0.229 7.702 7.054 1.00 0.00 C ATOM 1112 C LEU B 594 0.733 6.524 7.882 1.00 0.00 C ATOM 1113 O LEU B 594 1.003 6.661 9.075 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.211 8.036 7.445 1.00 0.00 C ATOM 1115 CG LEU B 594 -1.591 9.516 7.407 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.090 9.688 7.603 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -0.821 10.292 8.466 1.00 0.00 C ATOM 0 H LEU B 594 -0.593 7.363 5.154 1.00 0.00 H new ATOM 0 HA LEU B 594 0.864 8.564 7.259 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -1.882 7.492 6.780 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.389 7.662 8.453 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.325 9.914 6.428 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.342 10.748 7.573 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -3.623 9.166 6.808 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.381 9.273 8.568 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.104 11.344 8.424 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.055 9.892 9.452 1.00 0.00 H new ATOM 0 HD23 LEU B 594 0.249 10.197 8.281 1.00 0.00 H new ATOM 1129 N HIS B 595 0.859 5.367 7.240 1.00 0.00 N ATOM 1130 CA HIS B 595 1.334 4.165 7.916 1.00 0.00 C ATOM 1131 C HIS B 595 2.730 3.785 7.433 1.00 0.00 C ATOM 1132 O HIS B 595 3.438 3.023 8.089 1.00 0.00 O ATOM 1133 CB HIS B 595 0.366 3.005 7.679 1.00 0.00 C ATOM 1134 CG HIS B 595 0.303 2.036 8.819 1.00 0.00 C ATOM 1135 ND1 HIS B 595 1.388 1.294 9.236 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.723 1.689 9.631 1.00 0.00 C ATOM 1137 CE1 HIS B 595 1.031 0.531 10.255 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.245 0.753 10.514 1.00 0.00 N ATOM 0 H HIS B 595 0.639 5.236 6.253 1.00 0.00 H new ATOM 0 HA HIS B 595 1.384 4.375 8.984 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -0.631 3.406 7.498 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.664 2.472 6.776 1.00 0.00 H new ATOM 0 HD1 HIS B 595 2.320 1.328 8.823 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -1.730 2.077 9.591 1.00 0.00 H new ATOM 0 HE1 HIS B 595 1.673 -0.157 10.785 1.00 0.00 H new ATOM 1146 N MET B 596 3.118 4.321 6.280 1.00 0.00 N ATOM 1147 CA MET B 596 4.430 4.038 5.710 1.00 0.00 C ATOM 1148 C MET B 596 5.456 5.071 6.166 1.00 0.00 C ATOM 1149 O MET B 596 6.630 4.751 6.360 1.00 0.00 O ATOM 1150 CB MET B 596 4.352 4.020 4.182 1.00 0.00 C ATOM 1151 CG MET B 596 3.736 2.749 3.620 1.00 0.00 C ATOM 1152 SD MET B 596 3.923 2.619 1.831 1.00 0.00 S ATOM 1153 CE MET B 596 3.524 4.291 1.326 1.00 0.00 C ATOM 0 H MET B 596 2.543 4.953 5.723 1.00 0.00 H new ATOM 0 HA MET B 596 4.748 3.057 6.063 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.768 4.877 3.846 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.356 4.139 3.774 1.00 0.00 H new ATOM 0 HG2 MET B 596 4.201 1.884 4.094 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.676 2.720 3.874 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.421 4.329 0.242 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.587 4.597 1.790 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.321 4.966 1.639 1.00 0.00 H new ATOM 1163 N LEU B 597 5.007 6.310 6.335 1.00 0.00 N ATOM 1164 CA LEU B 597 5.886 7.390 6.769 1.00 0.00 C ATOM 1165 C LEU B 597 6.398 7.140 8.183 1.00 0.00 C ATOM 1166 O LEU B 597 7.320 7.811 8.647 1.00 0.00 O ATOM 1167 CB LEU B 597 5.149 8.729 6.710 1.00 0.00 C ATOM 1168 CG LEU B 597 4.383 9.129 7.972 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.540 7.968 8.476 1.00 0.00 C ATOM 1170 CD2 LEU B 597 5.345 9.601 9.052 1.00 0.00 C ATOM 0 H LEU B 597 4.039 6.591 6.178 1.00 0.00 H new ATOM 0 HA LEU B 597 6.741 7.423 6.094 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.875 9.511 6.486 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.447 8.698 5.877 1.00 0.00 H new ATOM 0 HG LEU B 597 3.715 9.954 7.723 1.00 0.00 H new ATOM 0 HD11 LEU B 597 3.002 8.272 9.374 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.825 7.676 7.707 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.187 7.123 8.709 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.783 9.882 9.943 1.00 0.00 H new ATOM 0 HD22 LEU B 597 6.038 8.797 9.299 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.904 10.463 8.689 1.00 0.00 H new ATOM 1182 N GLU B 598 5.796 6.169 8.863 1.00 0.00 N ATOM 1183 CA GLU B 598 6.193 5.831 10.225 1.00 0.00 C ATOM 1184 C GLU B 598 7.208 4.691 10.228 1.00 0.00 C ATOM 1185 O GLU B 598 7.258 3.893 11.164 1.00 0.00 O ATOM 1186 CB GLU B 598 4.969 5.440 11.055 1.00 0.00 C ATOM 1187 CG GLU B 598 4.289 4.168 10.576 1.00 0.00 C ATOM 1188 CD GLU B 598 3.743 3.333 11.718 1.00 0.00 C ATOM 1189 OE1 GLU B 598 3.054 3.900 12.591 1.00 0.00 O ATOM 1190 OE2 GLU B 598 4.006 2.113 11.738 1.00 0.00 O ATOM 0 H GLU B 598 5.032 5.603 8.493 1.00 0.00 H new ATOM 0 HA GLU B 598 6.658 6.711 10.669 1.00 0.00 H new ATOM 0 HB2 GLU B 598 5.271 5.311 12.094 1.00 0.00 H new ATOM 0 HB3 GLU B 598 4.249 6.258 11.032 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.475 4.428 9.900 1.00 0.00 H new ATOM 0 HG3 GLU B 598 5.001 3.573 10.004 1.00 0.00 H new ATOM 1197 N SER B 599 8.014 4.621 9.173 1.00 0.00 N ATOM 1198 CA SER B 599 9.025 3.577 9.051 1.00 0.00 C ATOM 1199 C SER B 599 10.029 3.918 7.954 1.00 0.00 C ATOM 1200 O SER B 599 9.679 4.453 6.902 1.00 0.00 O ATOM 1201 CB SER B 599 8.364 2.230 8.752 1.00 0.00 C ATOM 1202 OG SER B 599 9.319 1.184 8.740 1.00 0.00 O ATOM 0 H SER B 599 7.986 5.275 8.391 1.00 0.00 H new ATOM 0 HA SER B 599 9.558 3.510 9.999 1.00 0.00 H new ATOM 0 HB2 SER B 599 7.601 2.021 9.502 1.00 0.00 H new ATOM 0 HB3 SER B 599 7.858 2.276 7.787 1.00 0.00 H new ATOM 0 HG SER B 599 8.871 0.334 8.548 1.00 0.00 H new ATOM 1208 N PRO B 600 11.308 3.602 8.205 1.00 0.00 N ATOM 1209 CA PRO B 600 12.390 3.865 7.252 1.00 0.00 C ATOM 1210 C PRO B 600 12.308 2.970 6.020 1.00 0.00 C ATOM 1211 O PRO B 600 12.395 3.446 4.889 1.00 0.00 O ATOM 1212 CB PRO B 600 13.655 3.555 8.056 1.00 0.00 C ATOM 1213 CG PRO B 600 13.212 2.588 9.099 1.00 0.00 C ATOM 1214 CD PRO B 600 11.797 2.964 9.439 1.00 0.00 C ATOM 0 HA PRO B 600 12.354 4.884 6.866 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.432 3.126 7.423 1.00 0.00 H new ATOM 0 HB3 PRO B 600 14.071 4.458 8.504 1.00 0.00 H new ATOM 0 HG2 PRO B 600 13.265 1.564 8.729 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.853 2.643 9.979 1.00 0.00 H new ATOM 0 HD2 PRO B 600 11.201 2.090 9.703 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.755 3.646 10.288 1.00 0.00 H new ATOM 1222 N GLU B 601 12.140 1.671 6.249 1.00 0.00 N ATOM 1223 CA GLU B 601 12.046 0.710 5.157 1.00 0.00 C ATOM 1224 C GLU B 601 10.863 1.031 4.248 1.00 0.00 C ATOM 1225 O GLU B 601 10.807 0.585 3.103 1.00 0.00 O ATOM 1226 CB GLU B 601 11.908 -0.711 5.709 1.00 0.00 C ATOM 1227 CG GLU B 601 12.940 -1.055 6.769 1.00 0.00 C ATOM 1228 CD GLU B 601 13.011 -2.543 7.054 1.00 0.00 C ATOM 1229 OE1 GLU B 601 12.052 -3.261 6.702 1.00 0.00 O ATOM 1230 OE2 GLU B 601 14.026 -2.988 7.628 1.00 0.00 O ATOM 0 H GLU B 601 12.066 1.261 7.180 1.00 0.00 H new ATOM 0 HA GLU B 601 12.962 0.777 4.569 1.00 0.00 H new ATOM 0 HB2 GLU B 601 10.911 -0.832 6.132 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.994 -1.421 4.887 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.920 -0.704 6.444 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.700 -0.524 7.690 1.00 0.00 H new ATOM 1237 N SER B 602 9.919 1.809 4.769 1.00 0.00 N ATOM 1238 CA SER B 602 8.735 2.188 4.007 1.00 0.00 C ATOM 1239 C SER B 602 8.958 3.507 3.275 1.00 0.00 C ATOM 1240 O SER B 602 8.770 3.597 2.061 1.00 0.00 O ATOM 1241 CB SER B 602 7.523 2.304 4.933 1.00 0.00 C ATOM 1242 OG SER B 602 7.043 1.024 5.309 1.00 0.00 O ATOM 0 H SER B 602 9.951 2.189 5.715 1.00 0.00 H new ATOM 0 HA SER B 602 8.546 1.410 3.267 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.795 2.870 5.824 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.731 2.860 4.432 1.00 0.00 H new ATOM 0 HG SER B 602 6.269 1.126 5.902 1.00 0.00 H new ATOM 1248 N LEU B 603 9.361 4.530 4.022 1.00 0.00 N ATOM 1249 CA LEU B 603 9.611 5.846 3.446 1.00 0.00 C ATOM 1250 C LEU B 603 10.645 5.764 2.328 1.00 0.00 C ATOM 1251 O LEU B 603 10.366 6.124 1.184 1.00 0.00 O ATOM 1252 CB LEU B 603 10.089 6.816 4.528 1.00 0.00 C ATOM 1253 CG LEU B 603 10.350 8.253 4.075 1.00 0.00 C ATOM 1254 CD1 LEU B 603 11.738 8.376 3.465 1.00 0.00 C ATOM 1255 CD2 LEU B 603 9.287 8.700 3.081 1.00 0.00 C ATOM 0 H LEU B 603 9.521 4.473 5.028 1.00 0.00 H new ATOM 0 HA LEU B 603 8.676 6.214 3.024 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.344 6.837 5.323 1.00 0.00 H new ATOM 0 HB3 LEU B 603 11.008 6.421 4.962 1.00 0.00 H new ATOM 0 HG LEU B 603 10.300 8.904 4.948 1.00 0.00 H new ATOM 0 HD11 LEU B 603 11.906 9.405 3.148 1.00 0.00 H new ATOM 0 HD12 LEU B 603 12.487 8.097 4.206 1.00 0.00 H new ATOM 0 HD13 LEU B 603 11.817 7.714 2.603 1.00 0.00 H new ATOM 0 HD21 LEU B 603 9.488 9.725 2.769 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.305 8.045 2.210 1.00 0.00 H new ATOM 0 HD23 LEU B 603 8.305 8.650 3.551 1.00 0.00 H new ATOM 1267 N ARG B 604 11.838 5.286 2.666 1.00 0.00 N ATOM 1268 CA ARG B 604 12.913 5.156 1.690 1.00 0.00 C ATOM 1269 C ARG B 604 12.463 4.324 0.493 1.00 0.00 C ATOM 1270 O ARG B 604 12.751 4.664 -0.655 1.00 0.00 O ATOM 1271 CB ARG B 604 14.142 4.514 2.337 1.00 0.00 C ATOM 1272 CG ARG B 604 14.898 5.448 3.268 1.00 0.00 C ATOM 1273 CD ARG B 604 15.996 4.714 4.023 1.00 0.00 C ATOM 1274 NE ARG B 604 17.151 4.434 3.175 1.00 0.00 N ATOM 1275 CZ ARG B 604 18.340 4.079 3.647 1.00 0.00 C ATOM 1276 NH1 ARG B 604 18.530 3.960 4.954 1.00 0.00 N ATOM 1277 NH2 ARG B 604 19.343 3.841 2.811 1.00 0.00 N ATOM 0 H ARG B 604 12.084 4.982 3.608 1.00 0.00 H new ATOM 0 HA ARG B 604 13.174 6.154 1.339 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.829 3.632 2.896 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.817 4.171 1.553 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.334 6.264 2.691 1.00 0.00 H new ATOM 0 HG3 ARG B 604 14.203 5.896 3.979 1.00 0.00 H new ATOM 0 HD2 ARG B 604 16.311 5.313 4.878 1.00 0.00 H new ATOM 0 HD3 ARG B 604 15.601 3.778 4.418 1.00 0.00 H new ATOM 0 HE ARG B 604 17.038 4.516 2.165 1.00 0.00 H new ATOM 0 HH11 ARG B 604 17.761 4.141 5.600 1.00 0.00 H new ATOM 0 HH12 ARG B 604 19.445 3.687 5.314 1.00 0.00 H new ATOM 0 HH21 ARG B 604 19.201 3.931 1.805 1.00 0.00 H new ATOM 0 HH22 ARG B 604 20.256 3.568 3.175 1.00 0.00 H new ATOM 1291 N SER B 605 11.755 3.233 0.769 1.00 0.00 N ATOM 1292 CA SER B 605 11.269 2.351 -0.285 1.00 0.00 C ATOM 1293 C SER B 605 10.443 3.127 -1.306 1.00 0.00 C ATOM 1294 O SER B 605 10.696 3.058 -2.509 1.00 0.00 O ATOM 1295 CB SER B 605 10.428 1.221 0.314 1.00 0.00 C ATOM 1296 OG SER B 605 9.650 0.581 -0.682 1.00 0.00 O ATOM 0 H SER B 605 11.506 2.939 1.713 1.00 0.00 H new ATOM 0 HA SER B 605 12.133 1.923 -0.793 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.081 0.492 0.794 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.774 1.621 1.089 1.00 0.00 H new ATOM 0 HG SER B 605 9.123 -0.138 -0.274 1.00 0.00 H new ATOM 1302 N LYS B 606 9.454 3.868 -0.817 1.00 0.00 N ATOM 1303 CA LYS B 606 8.590 4.660 -1.684 1.00 0.00 C ATOM 1304 C LYS B 606 9.404 5.664 -2.493 1.00 0.00 C ATOM 1305 O LYS B 606 9.367 5.662 -3.724 1.00 0.00 O ATOM 1306 CB LYS B 606 7.534 5.393 -0.855 1.00 0.00 C ATOM 1307 CG LYS B 606 6.542 4.465 -0.175 1.00 0.00 C ATOM 1308 CD LYS B 606 5.840 3.567 -1.180 1.00 0.00 C ATOM 1309 CE LYS B 606 5.109 4.379 -2.238 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.414 3.507 -3.225 1.00 0.00 N ATOM 0 H LYS B 606 9.231 3.936 0.176 1.00 0.00 H new ATOM 0 HA LYS B 606 8.092 3.981 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS B 606 8.034 5.996 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.990 6.081 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.062 3.852 0.561 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.802 5.055 0.366 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.570 2.916 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.131 2.922 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.382 5.033 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.820 5.021 -2.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 4.058 4.088 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.081 2.799 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.617 3.025 -2.762 1.00 0.00 H new ATOM 1324 N VAL B 607 10.141 6.521 -1.794 1.00 0.00 N ATOM 1325 CA VAL B 607 10.967 7.530 -2.447 1.00 0.00 C ATOM 1326 C VAL B 607 11.845 6.906 -3.526 1.00 0.00 C ATOM 1327 O VAL B 607 11.833 7.340 -4.678 1.00 0.00 O ATOM 1328 CB VAL B 607 11.863 8.265 -1.432 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.763 9.266 -2.140 1.00 0.00 C ATOM 1330 CG2 VAL B 607 11.015 8.953 -0.373 1.00 0.00 C ATOM 0 H VAL B 607 10.183 6.537 -0.775 1.00 0.00 H new ATOM 0 HA VAL B 607 10.287 8.248 -2.906 1.00 0.00 H new ATOM 0 HB VAL B 607 12.498 7.531 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.388 9.775 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.396 8.743 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.150 9.998 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.664 9.467 0.336 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.354 9.676 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.419 8.209 0.155 1.00 0.00 H new ATOM 1340 N ASP B 608 12.607 5.887 -3.145 1.00 0.00 N ATOM 1341 CA ASP B 608 13.491 5.201 -4.080 1.00 0.00 C ATOM 1342 C ASP B 608 12.710 4.677 -5.281 1.00 0.00 C ATOM 1343 O ASP B 608 13.112 4.873 -6.428 1.00 0.00 O ATOM 1344 CB ASP B 608 14.212 4.047 -3.382 1.00 0.00 C ATOM 1345 CG ASP B 608 15.052 3.225 -4.339 1.00 0.00 C ATOM 1346 OD1 ASP B 608 16.006 3.783 -4.921 1.00 0.00 O ATOM 1347 OD2 ASP B 608 14.756 2.023 -4.505 1.00 0.00 O ATOM 0 H ASP B 608 12.630 5.518 -2.195 1.00 0.00 H new ATOM 0 HA ASP B 608 14.231 5.919 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.850 4.445 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.477 3.401 -2.902 1.00 0.00 H new ATOM 1352 N GLU B 609 11.593 4.009 -5.009 1.00 0.00 N ATOM 1353 CA GLU B 609 10.758 3.455 -6.068 1.00 0.00 C ATOM 1354 C GLU B 609 10.306 4.548 -7.033 1.00 0.00 C ATOM 1355 O GLU B 609 10.510 4.447 -8.242 1.00 0.00 O ATOM 1356 CB GLU B 609 9.538 2.751 -5.470 1.00 0.00 C ATOM 1357 CG GLU B 609 8.998 1.628 -6.339 1.00 0.00 C ATOM 1358 CD GLU B 609 9.855 0.378 -6.276 1.00 0.00 C ATOM 1359 OE1 GLU B 609 9.794 -0.333 -5.251 1.00 0.00 O ATOM 1360 OE2 GLU B 609 10.586 0.112 -7.253 1.00 0.00 O ATOM 0 H GLU B 609 11.246 3.839 -4.065 1.00 0.00 H new ATOM 0 HA GLU B 609 11.353 2.729 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.804 2.347 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU B 609 8.749 3.485 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU B 609 7.984 1.385 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU B 609 8.937 1.970 -7.372 1.00 0.00 H new ATOM 1367 N ALA B 610 9.691 5.593 -6.488 1.00 0.00 N ATOM 1368 CA ALA B 610 9.212 6.705 -7.298 1.00 0.00 C ATOM 1369 C ALA B 610 10.312 7.232 -8.213 1.00 0.00 C ATOM 1370 O ALA B 610 10.173 7.223 -9.437 1.00 0.00 O ATOM 1371 CB ALA B 610 8.686 7.820 -6.406 1.00 0.00 C ATOM 0 H ALA B 610 9.513 5.692 -5.489 1.00 0.00 H new ATOM 0 HA ALA B 610 8.398 6.341 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.331 8.644 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.864 7.442 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.486 8.173 -5.755 1.00 0.00 H new ATOM 1377 N VAL B 611 11.405 7.692 -7.613 1.00 0.00 N ATOM 1378 CA VAL B 611 12.530 8.222 -8.374 1.00 0.00 C ATOM 1379 C VAL B 611 12.964 7.249 -9.464 1.00 0.00 C ATOM 1380 O VAL B 611 13.269 7.653 -10.586 1.00 0.00 O ATOM 1381 CB VAL B 611 13.733 8.524 -7.461 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.846 9.198 -8.249 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.305 9.385 -6.283 1.00 0.00 C ATOM 0 H VAL B 611 11.535 7.708 -6.601 1.00 0.00 H new ATOM 0 HA VAL B 611 12.191 9.150 -8.834 1.00 0.00 H new ATOM 0 HB VAL B 611 14.117 7.581 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.687 9.404 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.171 8.540 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.478 10.134 -8.670 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.168 9.588 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.895 10.326 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.545 8.859 -5.705 1.00 0.00 H new ATOM 1393 N ALA B 612 12.988 5.964 -9.127 1.00 0.00 N ATOM 1394 CA ALA B 612 13.382 4.932 -10.077 1.00 0.00 C ATOM 1395 C ALA B 612 12.450 4.911 -11.284 1.00 0.00 C ATOM 1396 O ALA B 612 12.894 4.759 -12.422 1.00 0.00 O ATOM 1397 CB ALA B 612 13.401 3.569 -9.400 1.00 0.00 C ATOM 0 H ALA B 612 12.739 5.613 -8.202 1.00 0.00 H new ATOM 0 HA ALA B 612 14.387 5.164 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.697 2.808 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.113 3.583 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.407 3.339 -9.018 1.00 0.00 H new ATOM 1403 N VAL B 613 11.154 5.066 -11.028 1.00 0.00 N ATOM 1404 CA VAL B 613 10.159 5.066 -12.093 1.00 0.00 C ATOM 1405 C VAL B 613 10.351 6.257 -13.024 1.00 0.00 C ATOM 1406 O VAL B 613 10.277 6.122 -14.247 1.00 0.00 O ATOM 1407 CB VAL B 613 8.728 5.098 -11.524 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.708 5.181 -12.649 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.474 3.878 -10.652 1.00 0.00 C ATOM 0 H VAL B 613 10.769 5.193 -10.092 1.00 0.00 H new ATOM 0 HA VAL B 613 10.297 4.143 -12.656 1.00 0.00 H new ATOM 0 HB VAL B 613 8.622 5.988 -10.903 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.703 5.203 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.878 6.088 -13.228 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.811 4.311 -13.298 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.458 3.917 -10.258 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.598 2.973 -11.247 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.184 3.868 -9.825 1.00 0.00 H new ATOM 1419 N LEU B 614 10.599 7.424 -12.440 1.00 0.00 N ATOM 1420 CA LEU B 614 10.803 8.641 -13.217 1.00 0.00 C ATOM 1421 C LEU B 614 11.918 8.454 -14.241 1.00 0.00 C ATOM 1422 O LEU B 614 11.803 8.892 -15.385 1.00 0.00 O ATOM 1423 CB LEU B 614 11.137 9.812 -12.291 1.00 0.00 C ATOM 1424 CG LEU B 614 10.150 10.069 -11.151 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.491 11.365 -10.432 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.724 10.109 -11.679 1.00 0.00 C ATOM 0 H LEU B 614 10.664 7.553 -11.430 1.00 0.00 H new ATOM 0 HA LEU B 614 9.878 8.860 -13.750 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.123 9.638 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.208 10.717 -12.894 1.00 0.00 H new ATOM 0 HG LEU B 614 10.228 9.250 -10.436 1.00 0.00 H new ATOM 0 HD11 LEU B 614 9.778 11.531 -9.624 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.498 11.298 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.442 12.196 -11.136 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.036 10.293 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.631 10.908 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.483 9.155 -12.147 1.00 0.00 H new ATOM 1438 N GLN B 615 12.995 7.798 -13.821 1.00 0.00 N ATOM 1439 CA GLN B 615 14.131 7.551 -14.702 1.00 0.00 C ATOM 1440 C GLN B 615 13.693 6.802 -15.956 1.00 0.00 C ATOM 1441 O GLN B 615 14.356 6.864 -16.991 1.00 0.00 O ATOM 1442 CB GLN B 615 15.209 6.753 -13.967 1.00 0.00 C ATOM 1443 CG GLN B 615 16.556 7.456 -13.913 1.00 0.00 C ATOM 1444 CD GLN B 615 17.447 6.926 -12.807 1.00 0.00 C ATOM 1445 OE1 GLN B 615 17.510 7.496 -11.717 1.00 0.00 O ATOM 1446 NE2 GLN B 615 18.143 5.829 -13.083 1.00 0.00 N ATOM 0 H GLN B 615 13.105 7.428 -12.877 1.00 0.00 H new ATOM 0 HA GLN B 615 14.544 8.514 -15.001 1.00 0.00 H new ATOM 0 HB2 GLN B 615 14.872 6.554 -12.950 1.00 0.00 H new ATOM 0 HB3 GLN B 615 15.332 5.787 -14.457 1.00 0.00 H new ATOM 0 HG2 GLN B 615 17.062 7.337 -14.871 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.398 8.525 -13.767 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.060 5.390 -14.000 1.00 0.00 H new ATOM 0 HE22 GLN B 615 18.760 5.426 -12.378 1.00 0.00 H new