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 Set 1.1: B 599 SER OG : rot 48:sc= 0.694 USER MOD Set 1.2: B 602 SER OG : rot 175:sc= -0.639 USER MOD Single : A 68 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.4) USER MOD Single : A 70 ASN : amide:sc= 0.227 K(o=0.23,f=-3.8!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= -0.133 (180deg=-0.759) 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= -1.97 X(o=-2,f=-2.2) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 561 MET CE :methyl -117:sc= -2.29 (180deg=-4.5!) USER MOD Single : B 571 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.2) USER MOD Single : B 573 MET CE :methyl -143:sc= -6.14! (180deg=-9.54!) USER MOD Single : B 574 HIS : no HE2:sc= -5.36! C(o=-5.4!,f=-6!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.694 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 180:sc= -1.23 USER MOD Single : B 584 MET CE :methyl 168:sc= -11.5! (180deg=-12.9!) USER MOD Single : B 590 ASN : amide:sc= -5.1! C(o=-5.1!,f=-11!) 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 -144:sc= -4.16 (180deg=-6.01!) USER MOD Single : B 605 SER OG : rot 180:sc= -0.0848 USER MOD Single : B 606 LYS NZ :NH3+ -157:sc= -1.29 (180deg=-1.87!) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 6.575 -2.135 -9.379 1.00 0.00 N ATOM 67 CA GLN A 68 6.810 -0.758 -9.795 1.00 0.00 C ATOM 68 C GLN A 68 5.504 0.029 -9.836 1.00 0.00 C ATOM 69 O GLN A 68 4.434 -0.508 -9.546 1.00 0.00 O ATOM 70 CB GLN A 68 7.482 -0.726 -11.169 1.00 0.00 C ATOM 71 CG GLN A 68 6.530 -1.016 -12.318 1.00 0.00 C ATOM 72 CD GLN A 68 7.162 -1.874 -13.396 1.00 0.00 C ATOM 73 OE1 GLN A 68 8.385 -1.997 -13.471 1.00 0.00 O ATOM 74 NE2 GLN A 68 6.330 -2.474 -14.240 1.00 0.00 N ATOM 0 HA GLN A 68 7.471 -0.292 -9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.934 0.254 -11.321 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.291 -1.456 -11.186 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.643 -1.519 -11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.198 -0.075 -12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.323 -2.345 -14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.698 -3.064 -14.986 1.00 0.00 H new ATOM 83 N LEU A 69 5.599 1.304 -10.196 1.00 0.00 N ATOM 84 CA LEU A 69 4.424 2.166 -10.275 1.00 0.00 C ATOM 85 C LEU A 69 4.411 2.950 -11.584 1.00 0.00 C ATOM 86 O LEU A 69 5.272 2.760 -12.441 1.00 0.00 O ATOM 87 CB LEU A 69 4.396 3.132 -9.089 1.00 0.00 C ATOM 88 CG LEU A 69 5.679 3.924 -8.837 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.731 5.154 -9.729 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.782 4.321 -7.372 1.00 0.00 C ATOM 0 H LEU A 69 6.477 1.764 -10.438 1.00 0.00 H new ATOM 0 HA LEU A 69 3.537 1.534 -10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.581 3.839 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.161 2.564 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 69 6.530 3.287 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.651 5.705 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.705 4.847 -10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.874 5.793 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.701 4.884 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.926 4.939 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.792 3.425 -6.752 1.00 0.00 H new ATOM 102 N ASN A 70 3.428 3.833 -11.728 1.00 0.00 N ATOM 103 CA ASN A 70 3.304 4.647 -12.932 1.00 0.00 C ATOM 104 C ASN A 70 3.627 6.109 -12.636 1.00 0.00 C ATOM 105 O ASN A 70 3.224 6.649 -11.606 1.00 0.00 O ATOM 106 CB ASN A 70 1.890 4.533 -13.506 1.00 0.00 C ATOM 107 CG ASN A 70 0.844 5.144 -12.593 1.00 0.00 C ATOM 108 OD1 ASN A 70 0.824 4.882 -11.391 1.00 0.00 O ATOM 109 ND2 ASN A 70 -0.032 5.964 -13.163 1.00 0.00 N ATOM 0 H ASN A 70 2.707 4.003 -11.027 1.00 0.00 H new ATOM 0 HA ASN A 70 4.019 4.276 -13.666 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.854 5.027 -14.477 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.653 3.483 -13.674 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.759 6.405 -12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.022 6.153 -14.164 1.00 0.00 H new ATOM 116 N VAL A 71 4.358 6.744 -13.547 1.00 0.00 N ATOM 117 CA VAL A 71 4.735 8.143 -13.385 1.00 0.00 C ATOM 118 C VAL A 71 3.669 9.069 -13.960 1.00 0.00 C ATOM 119 O VAL A 71 3.737 10.286 -13.797 1.00 0.00 O ATOM 120 CB VAL A 71 6.083 8.443 -14.068 1.00 0.00 C ATOM 121 CG1 VAL A 71 5.952 8.338 -15.579 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.590 9.819 -13.662 1.00 0.00 C ATOM 0 H VAL A 71 4.701 6.312 -14.405 1.00 0.00 H new ATOM 0 HA VAL A 71 4.830 8.324 -12.314 1.00 0.00 H new ATOM 0 HB VAL A 71 6.811 7.701 -13.739 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.914 8.553 -16.043 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.637 7.330 -15.848 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.211 9.056 -15.931 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.543 10.015 -14.153 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.865 10.576 -13.960 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.725 9.852 -12.581 1.00 0.00 H new ATOM 132 N ASN A 72 2.685 8.483 -14.634 1.00 0.00 N ATOM 133 CA ASN A 72 1.603 9.256 -15.233 1.00 0.00 C ATOM 134 C ASN A 72 0.606 9.711 -14.172 1.00 0.00 C ATOM 135 O ASN A 72 -0.248 10.558 -14.431 1.00 0.00 O ATOM 136 CB ASN A 72 0.886 8.426 -16.300 1.00 0.00 C ATOM 137 CG ASN A 72 1.411 8.702 -17.696 1.00 0.00 C ATOM 138 OD1 ASN A 72 0.896 9.567 -18.405 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.441 7.965 -18.097 1.00 0.00 N ATOM 0 H ASN A 72 2.614 7.476 -14.779 1.00 0.00 H new ATOM 0 HA ASN A 72 2.037 10.140 -15.700 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.005 7.367 -16.073 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.182 8.641 -16.267 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.837 8.105 -19.027 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.836 7.259 -17.475 1.00 0.00 H new ATOM 146 N ALA A 73 0.722 9.142 -12.976 1.00 0.00 N ATOM 147 CA ALA A 73 -0.166 9.491 -11.875 1.00 0.00 C ATOM 148 C ALA A 73 -0.040 10.967 -11.514 1.00 0.00 C ATOM 149 O ALA A 73 1.023 11.427 -11.097 1.00 0.00 O ATOM 150 CB ALA A 73 0.130 8.622 -10.662 1.00 0.00 C ATOM 0 H ALA A 73 1.423 8.437 -12.746 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.191 9.309 -12.197 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.541 8.894 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.019 7.574 -10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.163 8.775 -10.348 1.00 0.00 H new ATOM 156 N LYS A 74 -1.132 11.707 -11.678 1.00 0.00 N ATOM 157 CA LYS A 74 -1.145 13.132 -11.369 1.00 0.00 C ATOM 158 C LYS A 74 -0.611 13.388 -9.963 1.00 0.00 C ATOM 159 O LYS A 74 -0.631 12.514 -9.096 1.00 0.00 O ATOM 160 CB LYS A 74 -2.564 13.689 -11.497 1.00 0.00 C ATOM 161 CG LYS A 74 -3.625 12.805 -10.863 1.00 0.00 C ATOM 162 CD LYS A 74 -4.953 13.533 -10.734 1.00 0.00 C ATOM 163 CE LYS A 74 -5.873 12.840 -9.741 1.00 0.00 C ATOM 164 NZ LYS A 74 -5.277 12.785 -8.378 1.00 0.00 N ATOM 0 H LYS A 74 -2.020 11.343 -12.023 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.497 13.640 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.601 14.675 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.799 13.823 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.759 11.906 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.289 12.481 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.777 14.560 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.439 13.582 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.826 13.368 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.084 11.828 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.035 12.696 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.642 11.964 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.738 13.656 -8.200 1.00 0.00 H new ATOM 178 N PRO A 75 -0.124 14.616 -9.729 1.00 0.00 N ATOM 179 CA PRO A 75 0.422 15.017 -8.429 1.00 0.00 C ATOM 180 C PRO A 75 -0.658 15.134 -7.358 1.00 0.00 C ATOM 181 O PRO A 75 -0.963 14.166 -6.662 1.00 0.00 O ATOM 182 CB PRO A 75 1.045 16.386 -8.713 1.00 0.00 C ATOM 183 CG PRO A 75 0.292 16.909 -9.886 1.00 0.00 C ATOM 184 CD PRO A 75 -0.070 15.708 -10.716 1.00 0.00 C ATOM 0 HA PRO A 75 1.129 14.284 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.950 17.050 -7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.109 16.299 -8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.601 17.447 -9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.899 17.610 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.027 15.842 -11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.674 15.515 -11.489 1.00 0.00 H new ATOM 192 N PHE A 76 -1.232 16.326 -7.232 1.00 0.00 N ATOM 193 CA PHE A 76 -2.278 16.570 -6.246 1.00 0.00 C ATOM 194 C PHE A 76 -2.890 17.955 -6.433 1.00 0.00 C ATOM 195 O PHE A 76 -2.648 18.622 -7.439 1.00 0.00 O ATOM 196 CB PHE A 76 -1.713 16.437 -4.830 1.00 0.00 C ATOM 197 CG PHE A 76 -0.700 17.492 -4.487 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.547 17.496 -5.093 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.993 18.478 -3.559 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.481 18.465 -4.781 1.00 0.00 C ATOM 201 CE2 PHE A 76 -0.062 19.450 -3.243 1.00 0.00 C ATOM 202 CZ PHE A 76 1.177 19.443 -3.854 1.00 0.00 C ATOM 0 H PHE A 76 -0.990 17.138 -7.800 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.060 15.824 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.533 16.486 -4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.254 15.455 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.791 16.733 -5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.959 18.487 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.448 18.458 -5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.303 20.214 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.906 20.200 -3.607 1.00 0.00 H new ATOM 212 N VAL A 77 -3.686 18.380 -5.458 1.00 0.00 N ATOM 213 CA VAL A 77 -4.334 19.685 -5.514 1.00 0.00 C ATOM 214 C VAL A 77 -3.737 20.640 -4.486 1.00 0.00 C ATOM 215 O VAL A 77 -4.271 20.828 -3.393 1.00 0.00 O ATOM 216 CB VAL A 77 -5.851 19.570 -5.271 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.546 19.000 -6.498 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.130 18.716 -4.044 1.00 0.00 C ATOM 0 H VAL A 77 -3.898 17.840 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.163 20.080 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.250 20.568 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.617 18.926 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.373 19.656 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.147 18.009 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.206 18.645 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.719 17.718 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.665 19.172 -3.170 1.00 0.00 H new ATOM 228 N PRO A 78 -2.602 21.259 -4.843 1.00 0.00 N ATOM 229 CA PRO A 78 -1.907 22.206 -3.966 1.00 0.00 C ATOM 230 C PRO A 78 -2.679 23.510 -3.794 1.00 0.00 C ATOM 231 O PRO A 78 -3.786 23.659 -4.310 1.00 0.00 O ATOM 232 CB PRO A 78 -0.585 22.460 -4.695 1.00 0.00 C ATOM 233 CG PRO A 78 -0.882 22.180 -6.127 1.00 0.00 C ATOM 234 CD PRO A 78 -1.909 21.082 -6.131 1.00 0.00 C ATOM 0 HA PRO A 78 -1.784 21.813 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.246 23.486 -4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.205 21.809 -4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.261 23.071 -6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.018 21.874 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.595 21.176 -6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.445 20.098 -6.206 1.00 0.00 H new ATOM 424 N LEU B 550 -6.505 14.159 8.867 1.00 0.00 N ATOM 425 CA LEU B 550 -7.328 13.682 7.762 1.00 0.00 C ATOM 426 C LEU B 550 -8.529 12.895 8.278 1.00 0.00 C ATOM 427 O LEU B 550 -9.035 12.000 7.601 1.00 0.00 O ATOM 428 CB LEU B 550 -6.497 12.807 6.821 1.00 0.00 C ATOM 429 CG LEU B 550 -5.613 13.551 5.819 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.479 14.265 6.537 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.065 12.589 4.776 1.00 0.00 C ATOM 0 HA LEU B 550 -7.694 14.550 7.213 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.861 12.160 7.425 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.175 12.159 6.266 1.00 0.00 H new ATOM 0 HG LEU B 550 -6.221 14.299 5.310 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.860 14.789 5.809 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.892 14.983 7.246 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.871 13.536 7.072 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.438 13.135 4.071 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.471 11.818 5.268 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.892 12.123 4.241 1.00 0.00 H new ATOM 443 N ALA B 551 -8.981 13.236 9.480 1.00 0.00 N ATOM 444 CA ALA B 551 -10.125 12.565 10.085 1.00 0.00 C ATOM 445 C ALA B 551 -11.381 13.424 9.986 1.00 0.00 C ATOM 446 O ALA B 551 -12.437 12.950 9.568 1.00 0.00 O ATOM 447 CB ALA B 551 -9.829 12.225 11.538 1.00 0.00 C ATOM 0 H ALA B 551 -8.572 13.973 10.054 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.305 11.641 9.536 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.692 11.724 11.978 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.962 11.566 11.588 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.621 13.141 12.091 1.00 0.00 H new ATOM 453 N SER B 552 -11.259 14.690 10.373 1.00 0.00 N ATOM 454 CA SER B 552 -12.386 15.614 10.332 1.00 0.00 C ATOM 455 C SER B 552 -12.288 16.538 9.122 1.00 0.00 C ATOM 456 O SER B 552 -12.761 17.673 9.154 1.00 0.00 O ATOM 457 CB SER B 552 -12.441 16.442 11.617 1.00 0.00 C ATOM 458 OG SER B 552 -13.063 15.717 12.664 1.00 0.00 O ATOM 0 H SER B 552 -10.391 15.099 10.718 1.00 0.00 H new ATOM 0 HA SER B 552 -13.301 15.028 10.246 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.431 16.724 11.915 1.00 0.00 H new ATOM 0 HB3 SER B 552 -12.989 17.366 11.435 1.00 0.00 H new ATOM 0 HG SER B 552 -13.084 16.267 13.475 1.00 0.00 H new ATOM 464 N ALA B 553 -11.668 16.042 8.056 1.00 0.00 N ATOM 465 CA ALA B 553 -11.508 16.821 6.834 1.00 0.00 C ATOM 466 C ALA B 553 -12.081 16.079 5.631 1.00 0.00 C ATOM 467 O ALA B 553 -12.271 14.863 5.654 1.00 0.00 O ATOM 468 CB ALA B 553 -10.040 17.147 6.605 1.00 0.00 C ATOM 0 H ALA B 553 -11.268 15.104 8.014 1.00 0.00 H new ATOM 0 HA ALA B 553 -12.062 17.752 6.951 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.935 17.729 5.689 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.660 17.725 7.448 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.472 16.221 6.514 1.00 0.00 H new ATOM 474 N PRO B 554 -12.364 16.827 4.554 1.00 0.00 N ATOM 475 CA PRO B 554 -12.920 16.260 3.321 1.00 0.00 C ATOM 476 C PRO B 554 -11.911 15.393 2.576 1.00 0.00 C ATOM 477 O PRO B 554 -10.716 15.393 2.873 1.00 0.00 O ATOM 478 CB PRO B 554 -13.277 17.497 2.493 1.00 0.00 C ATOM 479 CG PRO B 554 -12.367 18.564 2.993 1.00 0.00 C ATOM 480 CD PRO B 554 -12.163 18.282 4.456 1.00 0.00 C ATOM 0 HA PRO B 554 -13.767 15.603 3.519 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.128 17.317 1.428 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.323 17.774 2.626 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.418 18.550 2.457 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.804 19.551 2.843 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.166 18.573 4.786 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.875 18.829 5.074 1.00 0.00 H new ATOM 488 N PRO B 555 -12.401 14.634 1.584 1.00 0.00 N ATOM 489 CA PRO B 555 -11.559 13.748 0.775 1.00 0.00 C ATOM 490 C PRO B 555 -10.622 14.521 -0.147 1.00 0.00 C ATOM 491 O PRO B 555 -9.722 13.945 -0.756 1.00 0.00 O ATOM 492 CB PRO B 555 -12.572 12.944 -0.043 1.00 0.00 C ATOM 493 CG PRO B 555 -13.776 13.819 -0.118 1.00 0.00 C ATOM 494 CD PRO B 555 -13.815 14.583 1.176 1.00 0.00 C ATOM 0 HA PRO B 555 -10.905 13.132 1.392 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.186 12.715 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.803 11.993 0.437 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.713 14.497 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.681 13.226 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.231 15.582 1.041 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.431 14.080 1.922 1.00 0.00 H new ATOM 502 N GLN B 556 -10.841 15.828 -0.244 1.00 0.00 N ATOM 503 CA GLN B 556 -10.016 16.680 -1.092 1.00 0.00 C ATOM 504 C GLN B 556 -8.889 17.320 -0.289 1.00 0.00 C ATOM 505 O GLN B 556 -7.742 17.359 -0.734 1.00 0.00 O ATOM 506 CB GLN B 556 -10.871 17.765 -1.748 1.00 0.00 C ATOM 507 CG GLN B 556 -12.099 17.224 -2.462 1.00 0.00 C ATOM 508 CD GLN B 556 -12.827 18.288 -3.259 1.00 0.00 C ATOM 509 OE1 GLN B 556 -13.657 19.022 -2.723 1.00 0.00 O ATOM 510 NE2 GLN B 556 -12.519 18.377 -4.548 1.00 0.00 N ATOM 0 H GLN B 556 -11.583 16.320 0.254 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.575 16.056 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.188 18.476 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.259 18.316 -2.462 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.800 16.416 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.781 16.795 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -11.825 17.748 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -12.977 19.074 -5.135 1.00 0.00 H new ATOM 519 N GLU B 557 -9.223 17.821 0.896 1.00 0.00 N ATOM 520 CA GLU B 557 -8.238 18.461 1.760 1.00 0.00 C ATOM 521 C GLU B 557 -7.137 17.479 2.149 1.00 0.00 C ATOM 522 O GLU B 557 -6.018 17.881 2.469 1.00 0.00 O ATOM 523 CB GLU B 557 -8.912 19.013 3.018 1.00 0.00 C ATOM 524 CG GLU B 557 -9.607 20.347 2.800 1.00 0.00 C ATOM 525 CD GLU B 557 -8.696 21.529 3.069 1.00 0.00 C ATOM 526 OE1 GLU B 557 -7.477 21.315 3.232 1.00 0.00 O ATOM 527 OE2 GLU B 557 -9.204 22.669 3.116 1.00 0.00 O ATOM 0 H GLU B 557 -10.168 17.796 1.280 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.788 19.285 1.207 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.641 18.287 3.378 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.163 19.127 3.801 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -9.971 20.400 1.774 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.479 20.409 3.451 1.00 0.00 H new ATOM 534 N GLN B 558 -7.462 16.191 2.119 1.00 0.00 N ATOM 535 CA GLN B 558 -6.501 15.152 2.469 1.00 0.00 C ATOM 536 C GLN B 558 -5.239 15.269 1.622 1.00 0.00 C ATOM 537 O GLN B 558 -4.169 15.610 2.126 1.00 0.00 O ATOM 538 CB GLN B 558 -7.126 13.767 2.287 1.00 0.00 C ATOM 539 CG GLN B 558 -8.399 13.563 3.092 1.00 0.00 C ATOM 540 CD GLN B 558 -8.463 12.196 3.745 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.871 11.233 3.256 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.184 12.104 4.856 1.00 0.00 N ATOM 0 H GLN B 558 -8.384 15.842 1.856 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.227 15.284 3.516 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.346 13.613 1.231 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.398 13.008 2.575 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.465 14.332 3.861 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.262 13.690 2.439 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.658 12.928 5.226 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.264 11.209 5.340 1.00 0.00 H new ATOM 551 N LYS B 559 -5.371 14.984 0.330 1.00 0.00 N ATOM 552 CA LYS B 559 -4.242 15.058 -0.589 1.00 0.00 C ATOM 553 C LYS B 559 -3.566 16.424 -0.512 1.00 0.00 C ATOM 554 O LYS B 559 -2.348 16.531 -0.650 1.00 0.00 O ATOM 555 CB LYS B 559 -4.706 14.788 -2.022 1.00 0.00 C ATOM 556 CG LYS B 559 -5.880 15.650 -2.454 1.00 0.00 C ATOM 557 CD LYS B 559 -6.444 15.195 -3.789 1.00 0.00 C ATOM 558 CE LYS B 559 -7.072 13.813 -3.688 1.00 0.00 C ATOM 559 NZ LYS B 559 -7.955 13.518 -4.850 1.00 0.00 N ATOM 0 H LYS B 559 -6.249 14.700 -0.104 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.518 14.297 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.872 14.957 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -4.984 13.738 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.661 15.609 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.561 16.690 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -7.191 15.911 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -5.649 15.181 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -6.286 13.060 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -7.650 13.743 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -8.363 12.567 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -8.720 14.221 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -7.399 13.559 -5.728 1.00 0.00 H new ATOM 573 N GLN B 560 -4.364 17.463 -0.288 1.00 0.00 N ATOM 574 CA GLN B 560 -3.841 18.820 -0.192 1.00 0.00 C ATOM 575 C GLN B 560 -2.899 18.957 1.000 1.00 0.00 C ATOM 576 O GLN B 560 -1.698 19.166 0.833 1.00 0.00 O ATOM 577 CB GLN B 560 -4.989 19.824 -0.068 1.00 0.00 C ATOM 578 CG GLN B 560 -4.525 21.263 0.088 1.00 0.00 C ATOM 579 CD GLN B 560 -5.671 22.254 0.049 1.00 0.00 C ATOM 580 OE1 GLN B 560 -6.165 22.691 1.089 1.00 0.00 O ATOM 581 NE2 GLN B 560 -6.102 22.614 -1.155 1.00 0.00 N ATOM 0 H GLN B 560 -5.375 17.391 -0.170 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.279 19.031 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.623 19.749 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -5.605 19.555 0.790 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -3.991 21.368 1.032 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -3.817 21.501 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -5.663 22.227 -1.991 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -6.872 23.278 -1.244 1.00 0.00 H new ATOM 590 N MET B 561 -3.453 18.839 2.202 1.00 0.00 N ATOM 591 CA MET B 561 -2.662 18.949 3.422 1.00 0.00 C ATOM 592 C MET B 561 -1.547 17.908 3.443 1.00 0.00 C ATOM 593 O MET B 561 -0.368 18.248 3.539 1.00 0.00 O ATOM 594 CB MET B 561 -3.556 18.780 4.652 1.00 0.00 C ATOM 595 CG MET B 561 -4.744 19.728 4.674 1.00 0.00 C ATOM 596 SD MET B 561 -5.896 19.367 6.014 1.00 0.00 S ATOM 597 CE MET B 561 -6.488 17.749 5.525 1.00 0.00 C ATOM 0 H MET B 561 -4.446 18.667 2.357 1.00 0.00 H new ATOM 0 HA MET B 561 -2.210 19.941 3.444 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.920 17.753 4.688 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.959 18.938 5.550 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.385 20.752 4.775 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.270 19.667 3.721 1.00 0.00 H new ATOM 0 HE1 MET B 561 -7.559 17.798 5.327 1.00 0.00 H new ATOM 0 HE2 MET B 561 -5.966 17.428 4.623 1.00 0.00 H new ATOM 0 HE3 MET B 561 -6.300 17.035 6.327 1.00 0.00 H new ATOM 607 N LEU B 562 -1.928 16.638 3.352 1.00 0.00 N ATOM 608 CA LEU B 562 -0.960 15.547 3.361 1.00 0.00 C ATOM 609 C LEU B 562 0.125 15.773 2.313 1.00 0.00 C ATOM 610 O LEU B 562 1.308 15.867 2.640 1.00 0.00 O ATOM 611 CB LEU B 562 -1.664 14.213 3.103 1.00 0.00 C ATOM 612 CG LEU B 562 -0.773 12.970 3.123 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.571 11.749 3.555 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.145 12.742 1.755 1.00 0.00 C ATOM 0 H LEU B 562 -2.900 16.339 3.271 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.490 15.519 4.344 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.446 14.087 3.851 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.157 14.267 2.132 1.00 0.00 H new ATOM 0 HG LEU B 562 0.027 13.131 3.846 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.921 10.874 3.563 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.973 11.912 4.555 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.392 11.585 2.856 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.486 11.854 1.788 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.931 12.602 1.013 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.460 13.607 1.484 1.00 0.00 H new ATOM 626 N GLY B 563 -0.286 15.862 1.052 1.00 0.00 N ATOM 627 CA GLY B 563 0.663 16.079 -0.024 1.00 0.00 C ATOM 628 C GLY B 563 1.550 17.284 0.219 1.00 0.00 C ATOM 629 O GLY B 563 2.769 17.204 0.071 1.00 0.00 O ATOM 0 H GLY B 563 -1.259 15.788 0.756 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.285 15.191 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.121 16.213 -0.960 1.00 0.00 H new ATOM 633 N GLU B 564 0.937 18.403 0.593 1.00 0.00 N ATOM 634 CA GLU B 564 1.680 19.629 0.855 1.00 0.00 C ATOM 635 C GLU B 564 2.786 19.388 1.878 1.00 0.00 C ATOM 636 O GLU B 564 3.918 19.840 1.703 1.00 0.00 O ATOM 637 CB GLU B 564 0.738 20.726 1.355 1.00 0.00 C ATOM 638 CG GLU B 564 0.043 21.487 0.239 1.00 0.00 C ATOM 639 CD GLU B 564 0.864 22.655 -0.271 1.00 0.00 C ATOM 640 OE1 GLU B 564 1.997 22.844 0.220 1.00 0.00 O ATOM 641 OE2 GLU B 564 0.374 23.381 -1.161 1.00 0.00 O ATOM 0 H GLU B 564 -0.072 18.485 0.721 1.00 0.00 H new ATOM 0 HA GLU B 564 2.138 19.952 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU B 564 -0.016 20.278 2.002 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.305 21.430 1.965 1.00 0.00 H new ATOM 0 HG2 GLU B 564 -0.164 20.806 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.919 21.853 0.598 1.00 0.00 H new ATOM 648 N ARG B 565 2.450 18.672 2.946 1.00 0.00 N ATOM 649 CA ARG B 565 3.413 18.371 3.998 1.00 0.00 C ATOM 650 C ARG B 565 4.408 17.310 3.538 1.00 0.00 C ATOM 651 O ARG B 565 5.539 17.252 4.022 1.00 0.00 O ATOM 652 CB ARG B 565 2.690 17.895 5.260 1.00 0.00 C ATOM 653 CG ARG B 565 2.250 19.027 6.174 1.00 0.00 C ATOM 654 CD ARG B 565 3.224 19.224 7.325 1.00 0.00 C ATOM 655 NE ARG B 565 2.887 20.392 8.134 1.00 0.00 N ATOM 656 CZ ARG B 565 3.106 21.643 7.746 1.00 0.00 C ATOM 657 NH1 ARG B 565 3.660 21.887 6.566 1.00 0.00 N ATOM 658 NH2 ARG B 565 2.771 22.653 8.538 1.00 0.00 N ATOM 0 H ARG B 565 1.518 18.290 3.105 1.00 0.00 H new ATOM 0 HA ARG B 565 3.962 19.285 4.225 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.815 17.313 4.970 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.348 17.226 5.815 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.172 19.950 5.600 1.00 0.00 H new ATOM 0 HG3 ARG B 565 1.257 18.812 6.569 1.00 0.00 H new ATOM 0 HD2 ARG B 565 3.225 18.335 7.955 1.00 0.00 H new ATOM 0 HD3 ARG B 565 4.234 19.336 6.930 1.00 0.00 H new ATOM 0 HE ARG B 565 2.460 20.239 9.047 1.00 0.00 H new ATOM 0 HH11 ARG B 565 3.919 21.113 5.954 1.00 0.00 H new ATOM 0 HH12 ARG B 565 3.827 22.849 6.270 1.00 0.00 H new ATOM 0 HH21 ARG B 565 2.345 22.469 9.446 1.00 0.00 H new ATOM 0 HH22 ARG B 565 2.940 23.613 8.239 1.00 0.00 H new ATOM 672 N LEU B 566 3.979 16.472 2.601 1.00 0.00 N ATOM 673 CA LEU B 566 4.832 15.412 2.075 1.00 0.00 C ATOM 674 C LEU B 566 5.874 15.977 1.115 1.00 0.00 C ATOM 675 O LEU B 566 6.950 15.404 0.943 1.00 0.00 O ATOM 676 CB LEU B 566 3.985 14.355 1.362 1.00 0.00 C ATOM 677 CG LEU B 566 3.887 12.996 2.055 1.00 0.00 C ATOM 678 CD1 LEU B 566 3.064 13.104 3.330 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.283 11.961 1.116 1.00 0.00 C ATOM 0 H LEU B 566 3.046 16.506 2.190 1.00 0.00 H new ATOM 0 HA LEU B 566 5.351 14.948 2.913 1.00 0.00 H new ATOM 0 HB2 LEU B 566 2.977 14.750 1.236 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.395 14.203 0.363 1.00 0.00 H new ATOM 0 HG LEU B 566 4.893 12.673 2.322 1.00 0.00 H new ATOM 0 HD11 LEU B 566 3.005 12.127 3.809 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.537 13.813 4.009 1.00 0.00 H new ATOM 0 HD13 LEU B 566 2.059 13.449 3.086 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.221 11.000 1.626 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.284 12.279 0.818 1.00 0.00 H new ATOM 0 HD23 LEU B 566 3.911 11.862 0.231 1.00 0.00 H new ATOM 691 N PHE B 567 5.547 17.105 0.492 1.00 0.00 N ATOM 692 CA PHE B 567 6.455 17.749 -0.450 1.00 0.00 C ATOM 693 C PHE B 567 7.854 17.879 0.146 1.00 0.00 C ATOM 694 O PHE B 567 8.837 17.376 -0.398 1.00 0.00 O ATOM 695 CB PHE B 567 5.924 19.129 -0.840 1.00 0.00 C ATOM 696 CG PHE B 567 5.803 19.327 -2.324 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.877 19.069 -3.161 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.615 19.771 -2.883 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.769 19.250 -4.527 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.501 19.953 -4.248 1.00 0.00 C ATOM 701 CZ PHE B 567 5.580 19.693 -5.071 1.00 0.00 C ATOM 0 H PHE B 567 4.660 17.592 0.623 1.00 0.00 H new ATOM 0 HA PHE B 567 6.516 17.126 -1.342 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.946 19.276 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.586 19.893 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.810 18.722 -2.741 1.00 0.00 H new ATOM 0 HD2 PHE B 567 3.769 19.977 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.614 19.045 -5.168 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.569 20.298 -4.671 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.493 19.836 -6.138 1.00 0.00 H new ATOM 711 N PRO B 568 7.947 18.573 1.290 1.00 0.00 N ATOM 712 CA PRO B 568 9.219 18.787 1.986 1.00 0.00 C ATOM 713 C PRO B 568 9.765 17.504 2.604 1.00 0.00 C ATOM 714 O PRO B 568 10.970 17.250 2.570 1.00 0.00 O ATOM 715 CB PRO B 568 8.861 19.797 3.078 1.00 0.00 C ATOM 716 CG PRO B 568 7.406 19.593 3.321 1.00 0.00 C ATOM 717 CD PRO B 568 6.816 19.201 1.994 1.00 0.00 C ATOM 0 HA PRO B 568 10.001 19.131 1.309 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.442 19.623 3.984 1.00 0.00 H new ATOM 0 HB3 PRO B 568 9.069 20.818 2.757 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.240 18.816 4.067 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.942 20.503 3.701 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.983 18.509 2.114 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.436 20.067 1.452 1.00 0.00 H new ATOM 725 N LEU B 569 8.872 16.698 3.168 1.00 0.00 N ATOM 726 CA LEU B 569 9.264 15.441 3.794 1.00 0.00 C ATOM 727 C LEU B 569 10.115 14.602 2.846 1.00 0.00 C ATOM 728 O LEU B 569 11.095 13.982 3.260 1.00 0.00 O ATOM 729 CB LEU B 569 8.024 14.651 4.218 1.00 0.00 C ATOM 730 CG LEU B 569 8.281 13.395 5.051 1.00 0.00 C ATOM 731 CD1 LEU B 569 8.741 12.249 4.162 1.00 0.00 C ATOM 732 CD2 LEU B 569 9.310 13.676 6.136 1.00 0.00 C ATOM 0 H LEU B 569 7.871 16.893 3.204 1.00 0.00 H new ATOM 0 HA LEU B 569 9.859 15.674 4.677 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.373 15.314 4.788 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.477 14.362 3.320 1.00 0.00 H new ATOM 0 HG LEU B 569 7.347 13.103 5.531 1.00 0.00 H new ATOM 0 HD11 LEU B 569 8.919 11.364 4.773 1.00 0.00 H new ATOM 0 HD12 LEU B 569 7.971 12.031 3.422 1.00 0.00 H new ATOM 0 HD13 LEU B 569 9.663 12.530 3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.480 12.771 6.719 1.00 0.00 H new ATOM 0 HD22 LEU B 569 10.246 13.993 5.676 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.942 14.466 6.791 1.00 0.00 H new ATOM 744 N ILE B 570 9.736 14.591 1.572 1.00 0.00 N ATOM 745 CA ILE B 570 10.467 13.832 0.565 1.00 0.00 C ATOM 746 C ILE B 570 11.772 14.528 0.192 1.00 0.00 C ATOM 747 O ILE B 570 12.770 13.874 -0.112 1.00 0.00 O ATOM 748 CB ILE B 570 9.625 13.629 -0.708 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.466 12.668 -0.431 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.495 13.105 -1.841 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.253 12.919 -1.299 1.00 0.00 C ATOM 0 H ILE B 570 8.927 15.099 1.213 1.00 0.00 H new ATOM 0 HA ILE B 570 10.689 12.859 1.003 1.00 0.00 H new ATOM 0 HB ILE B 570 9.211 14.591 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.808 11.645 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.177 12.752 0.617 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.885 12.967 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.289 13.822 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.935 12.151 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.472 12.202 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.886 13.931 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.527 12.806 -2.348 1.00 0.00 H new ATOM 763 N GLN B 571 11.756 15.856 0.219 1.00 0.00 N ATOM 764 CA GLN B 571 12.939 16.641 -0.116 1.00 0.00 C ATOM 765 C GLN B 571 14.106 16.284 0.800 1.00 0.00 C ATOM 766 O GLN B 571 15.264 16.539 0.473 1.00 0.00 O ATOM 767 CB GLN B 571 12.632 18.136 -0.011 1.00 0.00 C ATOM 768 CG GLN B 571 11.679 18.637 -1.084 1.00 0.00 C ATOM 769 CD GLN B 571 11.102 20.002 -0.761 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.559 20.679 0.160 1.00 0.00 O ATOM 771 NE2 GLN B 571 10.093 20.413 -1.520 1.00 0.00 N ATOM 0 H GLN B 571 10.938 16.411 0.469 1.00 0.00 H new ATOM 0 HA GLN B 571 13.221 16.407 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.203 18.343 0.970 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.565 18.696 -0.075 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.205 18.685 -2.038 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.865 17.922 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN B 571 9.746 19.819 -2.273 1.00 0.00 H new ATOM 0 HE22 GLN B 571 9.665 21.323 -1.350 1.00 0.00 H new ATOM 780 N ALA B 572 13.791 15.694 1.948 1.00 0.00 N ATOM 781 CA ALA B 572 14.813 15.300 2.910 1.00 0.00 C ATOM 782 C ALA B 572 15.827 14.353 2.278 1.00 0.00 C ATOM 783 O ALA B 572 17.000 14.346 2.650 1.00 0.00 O ATOM 784 CB ALA B 572 14.171 14.653 4.128 1.00 0.00 C ATOM 0 H ALA B 572 12.836 15.478 2.235 1.00 0.00 H new ATOM 0 HA ALA B 572 15.343 16.198 3.227 1.00 0.00 H new ATOM 0 HB1 ALA B 572 14.946 14.364 4.838 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.492 15.362 4.601 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.614 13.768 3.819 1.00 0.00 H new ATOM 790 N MET B 573 15.367 13.554 1.321 1.00 0.00 N ATOM 791 CA MET B 573 16.235 12.603 0.637 1.00 0.00 C ATOM 792 C MET B 573 16.268 12.879 -0.863 1.00 0.00 C ATOM 793 O MET B 573 17.245 12.559 -1.542 1.00 0.00 O ATOM 794 CB MET B 573 15.761 11.171 0.893 1.00 0.00 C ATOM 795 CG MET B 573 14.295 10.947 0.557 1.00 0.00 C ATOM 796 SD MET B 573 13.415 10.050 1.850 1.00 0.00 S ATOM 797 CE MET B 573 12.213 11.278 2.355 1.00 0.00 C ATOM 0 H MET B 573 14.398 13.546 1.002 1.00 0.00 H new ATOM 0 HA MET B 573 17.244 12.720 1.033 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.369 10.485 0.304 1.00 0.00 H new ATOM 0 HB3 MET B 573 15.927 10.924 1.942 1.00 0.00 H new ATOM 0 HG2 MET B 573 13.812 11.911 0.396 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.221 10.393 -0.379 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.065 11.220 3.433 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.575 12.272 2.091 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.266 11.091 1.848 1.00 0.00 H new ATOM 807 N HIS B 574 15.195 13.473 -1.375 1.00 0.00 N ATOM 808 CA HIS B 574 15.102 13.792 -2.796 1.00 0.00 C ATOM 809 C HIS B 574 14.510 15.182 -3.003 1.00 0.00 C ATOM 810 O HIS B 574 13.365 15.339 -3.428 1.00 0.00 O ATOM 811 CB HIS B 574 14.250 12.749 -3.519 1.00 0.00 C ATOM 812 CG HIS B 574 15.052 11.653 -4.151 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.416 10.504 -3.480 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.560 11.534 -5.400 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.114 9.727 -4.289 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.216 10.329 -5.460 1.00 0.00 N ATOM 0 H HIS B 574 14.378 13.743 -0.828 1.00 0.00 H new ATOM 0 HA HIS B 574 16.109 13.780 -3.213 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.547 12.311 -2.810 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.659 13.245 -4.289 1.00 0.00 H new ATOM 0 HD1 HIS B 574 15.183 10.288 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.467 12.253 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.530 8.763 -4.036 1.00 0.00 H new ATOM 824 N PRO B 575 15.306 16.217 -2.695 1.00 0.00 N ATOM 825 CA PRO B 575 14.882 17.613 -2.839 1.00 0.00 C ATOM 826 C PRO B 575 14.742 18.028 -4.300 1.00 0.00 C ATOM 827 O PRO B 575 14.266 19.123 -4.602 1.00 0.00 O ATOM 828 CB PRO B 575 16.010 18.398 -2.165 1.00 0.00 C ATOM 829 CG PRO B 575 17.203 17.512 -2.270 1.00 0.00 C ATOM 830 CD PRO B 575 16.682 16.104 -2.183 1.00 0.00 C ATOM 0 HA PRO B 575 13.901 17.789 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO B 575 16.181 19.352 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.772 18.619 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.729 17.676 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.912 17.716 -1.468 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.279 15.417 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.700 15.731 -1.159 1.00 0.00 H new ATOM 838 N THR B 576 15.160 17.147 -5.203 1.00 0.00 N ATOM 839 CA THR B 576 15.082 17.423 -6.632 1.00 0.00 C ATOM 840 C THR B 576 13.819 16.824 -7.240 1.00 0.00 C ATOM 841 O THR B 576 13.006 17.534 -7.832 1.00 0.00 O ATOM 842 CB THR B 576 16.310 16.869 -7.379 1.00 0.00 C ATOM 843 OG1 THR B 576 16.688 15.602 -6.829 1.00 0.00 O ATOM 844 CG2 THR B 576 17.481 17.836 -7.288 1.00 0.00 C ATOM 0 H THR B 576 15.556 16.236 -4.970 1.00 0.00 H new ATOM 0 HA THR B 576 15.057 18.507 -6.743 1.00 0.00 H new ATOM 0 HB THR B 576 16.043 16.744 -8.428 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.468 15.256 -7.311 1.00 0.00 H new ATOM 0 HG21 THR B 576 18.336 17.423 -7.823 1.00 0.00 H new ATOM 0 HG22 THR B 576 17.200 18.790 -7.734 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.746 17.989 -6.242 1.00 0.00 H new ATOM 852 N LEU B 577 13.660 15.514 -7.090 1.00 0.00 N ATOM 853 CA LEU B 577 12.494 14.818 -7.623 1.00 0.00 C ATOM 854 C LEU B 577 11.369 14.773 -6.595 1.00 0.00 C ATOM 855 O LEU B 577 10.394 14.040 -6.758 1.00 0.00 O ATOM 856 CB LEU B 577 12.872 13.398 -8.046 1.00 0.00 C ATOM 857 CG LEU B 577 13.862 13.283 -9.206 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.455 14.203 -10.347 1.00 0.00 C ATOM 859 CD2 LEU B 577 15.273 13.604 -8.737 1.00 0.00 C ATOM 0 H LEU B 577 14.324 14.912 -6.603 1.00 0.00 H new ATOM 0 HA LEU B 577 12.141 15.368 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.294 12.884 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.960 12.867 -8.319 1.00 0.00 H new ATOM 0 HG LEU B 577 13.847 12.256 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU B 577 14.171 14.108 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.462 13.926 -10.701 1.00 0.00 H new ATOM 0 HD13 LEU B 577 13.441 15.235 -9.995 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.964 13.517 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU B 577 15.304 14.621 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.564 12.904 -7.953 1.00 0.00 H new ATOM 871 N ALA B 578 11.511 15.562 -5.535 1.00 0.00 N ATOM 872 CA ALA B 578 10.505 15.615 -4.481 1.00 0.00 C ATOM 873 C ALA B 578 9.109 15.804 -5.065 1.00 0.00 C ATOM 874 O ALA B 578 8.124 15.315 -4.514 1.00 0.00 O ATOM 875 CB ALA B 578 10.825 16.734 -3.501 1.00 0.00 C ATOM 0 H ALA B 578 12.313 16.173 -5.383 1.00 0.00 H new ATOM 0 HA ALA B 578 10.522 14.665 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA B 578 10.066 16.762 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.802 16.556 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.837 17.688 -4.029 1.00 0.00 H new ATOM 881 N GLY B 579 9.031 16.519 -6.184 1.00 0.00 N ATOM 882 CA GLY B 579 7.751 16.760 -6.822 1.00 0.00 C ATOM 883 C GLY B 579 7.098 15.484 -7.314 1.00 0.00 C ATOM 884 O GLY B 579 6.141 14.995 -6.713 1.00 0.00 O ATOM 0 H GLY B 579 9.832 16.935 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY B 579 7.085 17.256 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.890 17.440 -7.662 1.00 0.00 H new ATOM 888 N LYS B 580 7.615 14.941 -8.411 1.00 0.00 N ATOM 889 CA LYS B 580 7.077 13.713 -8.985 1.00 0.00 C ATOM 890 C LYS B 580 6.895 12.645 -7.911 1.00 0.00 C ATOM 891 O LYS B 580 5.884 11.943 -7.886 1.00 0.00 O ATOM 892 CB LYS B 580 8.003 13.192 -10.086 1.00 0.00 C ATOM 893 CG LYS B 580 8.350 14.236 -11.134 1.00 0.00 C ATOM 894 CD LYS B 580 8.089 13.722 -12.540 1.00 0.00 C ATOM 895 CE LYS B 580 9.384 13.358 -13.249 1.00 0.00 C ATOM 896 NZ LYS B 580 9.797 14.407 -14.222 1.00 0.00 N ATOM 0 H LYS B 580 8.407 15.332 -8.921 1.00 0.00 H new ATOM 0 HA LYS B 580 6.102 13.940 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS B 580 8.924 12.826 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.529 12.341 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS B 580 7.762 15.137 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS B 580 9.399 14.516 -11.037 1.00 0.00 H new ATOM 0 HD2 LYS B 580 7.440 12.848 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS B 580 7.560 14.482 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS B 580 10.174 13.215 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS B 580 9.259 12.409 -13.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 10.684 14.122 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 9.054 14.526 -14.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 9.942 15.307 -13.722 1.00 0.00 H new ATOM 910 N ILE B 581 7.879 12.529 -7.026 1.00 0.00 N ATOM 911 CA ILE B 581 7.825 11.548 -5.949 1.00 0.00 C ATOM 912 C ILE B 581 6.552 11.706 -5.124 1.00 0.00 C ATOM 913 O ILE B 581 5.741 10.785 -5.031 1.00 0.00 O ATOM 914 CB ILE B 581 9.046 11.668 -5.016 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.331 11.338 -5.778 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.885 10.751 -3.814 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.579 11.888 -5.124 1.00 0.00 C ATOM 0 H ILE B 581 8.723 13.102 -7.033 1.00 0.00 H new ATOM 0 HA ILE B 581 7.831 10.564 -6.418 1.00 0.00 H new ATOM 0 HB ILE B 581 9.113 12.695 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.424 10.256 -5.866 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.256 11.735 -6.790 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.755 10.847 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.987 11.029 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.797 9.719 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.451 11.616 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.508 12.974 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.678 11.471 -4.122 1.00 0.00 H new ATOM 929 N THR B 582 6.382 12.882 -4.528 1.00 0.00 N ATOM 930 CA THR B 582 5.208 13.162 -3.712 1.00 0.00 C ATOM 931 C THR B 582 3.923 12.936 -4.500 1.00 0.00 C ATOM 932 O THR B 582 2.900 12.545 -3.940 1.00 0.00 O ATOM 933 CB THR B 582 5.223 14.609 -3.183 1.00 0.00 C ATOM 934 OG1 THR B 582 4.747 14.642 -1.833 1.00 0.00 O ATOM 935 CG2 THR B 582 4.362 15.512 -4.052 1.00 0.00 C ATOM 0 H THR B 582 7.043 13.656 -4.595 1.00 0.00 H new ATOM 0 HA THR B 582 5.240 12.473 -2.868 1.00 0.00 H new ATOM 0 HB THR B 582 6.250 14.973 -3.215 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.761 15.565 -1.504 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.388 16.528 -3.659 1.00 0.00 H new ATOM 0 HG22 THR B 582 4.745 15.508 -5.072 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.335 15.148 -4.049 1.00 0.00 H new ATOM 943 N GLY B 583 3.984 13.182 -5.806 1.00 0.00 N ATOM 944 CA GLY B 583 2.818 12.998 -6.650 1.00 0.00 C ATOM 945 C GLY B 583 2.355 11.556 -6.693 1.00 0.00 C ATOM 946 O GLY B 583 1.217 11.252 -6.335 1.00 0.00 O ATOM 0 H GLY B 583 4.820 13.505 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY B 583 2.006 13.626 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY B 583 3.049 13.332 -7.661 1.00 0.00 H new ATOM 950 N MET B 584 3.238 10.665 -7.132 1.00 0.00 N ATOM 951 CA MET B 584 2.912 9.246 -7.221 1.00 0.00 C ATOM 952 C MET B 584 2.659 8.659 -5.836 1.00 0.00 C ATOM 953 O MET B 584 1.727 7.877 -5.643 1.00 0.00 O ATOM 954 CB MET B 584 4.044 8.483 -7.911 1.00 0.00 C ATOM 955 CG MET B 584 4.434 9.065 -9.260 1.00 0.00 C ATOM 956 SD MET B 584 6.050 8.494 -9.822 1.00 0.00 S ATOM 957 CE MET B 584 7.127 9.332 -8.662 1.00 0.00 C ATOM 0 H MET B 584 4.184 10.900 -7.432 1.00 0.00 H new ATOM 0 HA MET B 584 2.002 9.144 -7.812 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.918 8.479 -7.260 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.742 7.444 -8.046 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.680 8.795 -10.000 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.440 10.153 -9.194 1.00 0.00 H new ATOM 0 HE1 MET B 584 8.134 8.921 -8.738 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.152 10.397 -8.893 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.752 9.189 -7.649 1.00 0.00 H new ATOM 967 N LEU B 585 3.492 9.041 -4.875 1.00 0.00 N ATOM 968 CA LEU B 585 3.359 8.553 -3.507 1.00 0.00 C ATOM 969 C LEU B 585 2.014 8.958 -2.913 1.00 0.00 C ATOM 970 O LEU B 585 1.456 8.252 -2.071 1.00 0.00 O ATOM 971 CB LEU B 585 4.496 9.092 -2.638 1.00 0.00 C ATOM 972 CG LEU B 585 5.748 8.219 -2.553 1.00 0.00 C ATOM 973 CD1 LEU B 585 6.378 8.053 -3.927 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.749 8.815 -1.573 1.00 0.00 C ATOM 0 H LEU B 585 4.268 9.688 -5.018 1.00 0.00 H new ATOM 0 HA LEU B 585 3.413 7.465 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.785 10.071 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU B 585 4.114 9.244 -1.628 1.00 0.00 H new ATOM 0 HG LEU B 585 5.456 7.234 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU B 585 7.268 7.429 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.663 7.580 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.655 9.031 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.634 8.180 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU B 585 7.035 9.812 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.295 8.880 -0.584 1.00 0.00 H new ATOM 986 N LEU B 586 1.496 10.098 -3.357 1.00 0.00 N ATOM 987 CA LEU B 586 0.214 10.597 -2.871 1.00 0.00 C ATOM 988 C LEU B 586 -0.943 9.943 -3.619 1.00 0.00 C ATOM 989 O LEU B 586 -2.081 9.951 -3.150 1.00 0.00 O ATOM 990 CB LEU B 586 0.144 12.117 -3.027 1.00 0.00 C ATOM 991 CG LEU B 586 -1.248 12.740 -2.910 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.161 14.126 -2.290 1.00 0.00 C ATOM 993 CD2 LEU B 586 -1.919 12.805 -4.274 1.00 0.00 C ATOM 0 H LEU B 586 1.944 10.694 -4.053 1.00 0.00 H new ATOM 0 HA LEU B 586 0.129 10.343 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.787 12.570 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.558 12.382 -4.000 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.854 12.110 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.161 14.554 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.721 14.053 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.539 14.766 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -2.908 13.251 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.315 13.412 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.015 11.798 -4.681 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.644 9.377 -4.784 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.660 8.718 -5.596 1.00 0.00 C ATOM 1007 C GLU B 587 -2.002 7.343 -5.029 1.00 0.00 C ATOM 1008 O GLU B 587 -3.162 7.049 -4.741 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.179 8.581 -7.042 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.288 8.739 -8.069 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.660 7.427 -8.733 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -1.747 6.619 -9.004 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -3.864 7.208 -8.980 1.00 0.00 O ATOM 0 H GLU B 587 0.293 9.362 -5.186 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.559 9.333 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -0.409 9.329 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.713 7.604 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.169 9.159 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -1.973 9.451 -8.832 1.00 0.00 H new ATOM 1020 N ILE B 588 -0.983 6.504 -4.874 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.175 5.160 -4.342 1.00 0.00 C ATOM 1022 C ILE B 588 -2.306 5.130 -3.319 1.00 0.00 C ATOM 1023 O ILE B 588 -3.306 4.438 -3.506 1.00 0.00 O ATOM 1024 CB ILE B 588 0.112 4.627 -3.683 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.989 5.788 -3.213 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.875 3.739 -4.655 1.00 0.00 C ATOM 1027 CD1 ILE B 588 2.096 5.367 -2.272 1.00 0.00 C ATOM 0 H ILE B 588 -0.017 6.731 -5.109 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.434 4.520 -5.186 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.163 4.030 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.429 6.276 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.362 6.528 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.782 3.370 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE B 588 0.249 2.895 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE B 588 1.142 4.315 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.677 6.241 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.663 4.906 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.746 4.650 -2.773 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.140 5.887 -2.240 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.149 5.949 -1.189 1.00 0.00 C ATOM 1041 C ASP B 589 -2.656 6.785 -0.012 1.00 0.00 C ATOM 1042 O ASP B 589 -1.826 6.335 0.777 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.510 4.541 -0.714 1.00 0.00 C ATOM 1044 CG ASP B 589 -4.955 4.186 -1.002 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -5.824 5.069 -0.850 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.217 3.024 -1.378 1.00 0.00 O ATOM 0 H ASP B 589 -1.317 6.466 -2.070 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.039 6.424 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -2.857 3.817 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.327 4.464 0.358 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.172 8.005 0.099 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.783 8.905 1.179 1.00 0.00 C ATOM 1053 C ASN B 590 -2.913 8.217 2.534 1.00 0.00 C ATOM 1054 O ASN B 590 -2.044 8.350 3.395 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.643 10.170 1.151 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.160 11.176 0.125 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -1.961 11.289 -0.133 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.093 11.913 -0.466 1.00 0.00 N ATOM 0 H ASN B 590 -3.861 8.393 -0.546 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.739 9.181 1.031 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.676 9.899 0.932 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.638 10.631 2.138 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -3.828 12.607 -1.165 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.075 11.785 -0.221 1.00 0.00 H new ATOM 1065 N SER B 591 -4.005 7.480 2.715 1.00 0.00 N ATOM 1066 CA SER B 591 -4.251 6.773 3.966 1.00 0.00 C ATOM 1067 C SER B 591 -3.075 5.868 4.319 1.00 0.00 C ATOM 1068 O SER B 591 -2.717 5.725 5.488 1.00 0.00 O ATOM 1069 CB SER B 591 -5.534 5.946 3.865 1.00 0.00 C ATOM 1070 OG SER B 591 -6.563 6.499 4.668 1.00 0.00 O ATOM 0 H SER B 591 -4.733 7.357 2.011 1.00 0.00 H new ATOM 0 HA SER B 591 -4.366 7.514 4.757 1.00 0.00 H new ATOM 0 HB2 SER B 591 -5.862 5.904 2.826 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.335 4.921 4.178 1.00 0.00 H new ATOM 0 HG SER B 591 -7.372 5.953 4.584 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.479 5.258 3.299 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.344 4.365 3.502 1.00 0.00 C ATOM 1078 C GLU B 592 -0.106 5.148 3.932 1.00 0.00 C ATOM 1079 O GLU B 592 0.724 4.649 4.693 1.00 0.00 O ATOM 1080 CB GLU B 592 -1.046 3.584 2.221 1.00 0.00 C ATOM 1081 CG GLU B 592 0.043 2.537 2.385 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.236 1.581 3.529 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -0.966 0.592 3.312 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.278 1.822 4.642 1.00 0.00 O ATOM 0 H GLU B 592 -2.763 5.366 2.325 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.604 3.664 4.295 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.960 3.095 1.883 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.750 4.284 1.439 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.140 1.971 1.459 1.00 0.00 H new ATOM 0 HG3 GLU B 592 0.998 3.034 2.556 1.00 0.00 H new ATOM 1091 N LEU B 593 0.010 6.376 3.440 1.00 0.00 N ATOM 1092 CA LEU B 593 1.146 7.229 3.773 1.00 0.00 C ATOM 1093 C LEU B 593 1.043 7.738 5.207 1.00 0.00 C ATOM 1094 O LEU B 593 2.054 7.912 5.890 1.00 0.00 O ATOM 1095 CB LEU B 593 1.223 8.411 2.804 1.00 0.00 C ATOM 1096 CG LEU B 593 0.741 8.142 1.378 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.876 9.393 0.524 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.518 6.988 0.762 1.00 0.00 C ATOM 0 H LEU B 593 -0.668 6.804 2.809 1.00 0.00 H new ATOM 0 HA LEU B 593 2.055 6.634 3.683 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.636 9.232 3.216 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.258 8.751 2.758 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.313 7.865 1.417 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.528 9.182 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.275 10.194 0.955 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.921 9.700 0.492 1.00 0.00 H new ATOM 0 HD21 LEU B 593 1.162 6.810 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.579 7.237 0.736 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.370 6.089 1.361 1.00 0.00 H new ATOM 1110 N LEU B 594 -0.183 7.974 5.659 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.419 8.461 7.014 1.00 0.00 C ATOM 1112 C LEU B 594 0.057 7.446 8.048 1.00 0.00 C ATOM 1113 O LEU B 594 0.235 7.776 9.221 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.906 8.757 7.219 1.00 0.00 C ATOM 1115 CG LEU B 594 -2.358 10.181 6.891 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.860 10.322 7.087 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.609 11.189 7.750 1.00 0.00 C ATOM 0 H LEU B 594 -1.030 7.836 5.107 1.00 0.00 H new ATOM 0 HA LEU B 594 0.150 9.381 7.147 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.482 8.064 6.606 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -2.158 8.548 8.259 1.00 0.00 H new ATOM 0 HG LEU B 594 -2.128 10.384 5.845 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -4.164 11.341 6.849 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.380 9.626 6.429 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -4.114 10.100 8.124 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.943 12.197 7.503 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.807 10.988 8.803 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.539 11.105 7.560 1.00 0.00 H new ATOM 1129 N HIS B 595 0.263 6.210 7.605 1.00 0.00 N ATOM 1130 CA HIS B 595 0.721 5.146 8.492 1.00 0.00 C ATOM 1131 C HIS B 595 2.071 4.602 8.035 1.00 0.00 C ATOM 1132 O HIS B 595 2.763 3.918 8.789 1.00 0.00 O ATOM 1133 CB HIS B 595 -0.307 4.016 8.541 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.467 3.411 9.902 1.00 0.00 C ATOM 1135 ND1 HIS B 595 0.075 2.192 10.252 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -1.112 3.864 11.002 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -0.231 1.921 11.508 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.950 2.921 11.987 1.00 0.00 N ATOM 0 H HIS B 595 0.120 5.920 6.638 1.00 0.00 H new ATOM 0 HA HIS B 595 0.837 5.565 9.492 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -1.271 4.398 8.207 1.00 0.00 H new ATOM 0 HB3 HIS B 595 -0.012 3.237 7.838 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -1.654 4.794 11.089 1.00 0.00 H new ATOM 0 HE1 HIS B 595 0.057 1.033 12.051 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -1.324 2.982 12.934 1.00 0.00 H new ATOM 1146 N MET B 596 2.439 4.909 6.795 1.00 0.00 N ATOM 1147 CA MET B 596 3.706 4.451 6.239 1.00 0.00 C ATOM 1148 C MET B 596 4.823 5.446 6.538 1.00 0.00 C ATOM 1149 O MET B 596 6.006 5.108 6.466 1.00 0.00 O ATOM 1150 CB MET B 596 3.581 4.247 4.728 1.00 0.00 C ATOM 1151 CG MET B 596 4.907 3.973 4.039 1.00 0.00 C ATOM 1152 SD MET B 596 5.530 5.405 3.136 1.00 0.00 S ATOM 1153 CE MET B 596 4.180 5.699 1.996 1.00 0.00 C ATOM 0 H MET B 596 1.877 5.473 6.157 1.00 0.00 H new ATOM 0 HA MET B 596 3.956 3.499 6.708 1.00 0.00 H new ATOM 0 HB2 MET B 596 2.903 3.415 4.537 1.00 0.00 H new ATOM 0 HB3 MET B 596 3.128 5.135 4.286 1.00 0.00 H new ATOM 0 HG2 MET B 596 5.643 3.670 4.784 1.00 0.00 H new ATOM 0 HG3 MET B 596 4.788 3.137 3.349 1.00 0.00 H new ATOM 0 HE1 MET B 596 4.579 6.037 1.040 1.00 0.00 H new ATOM 0 HE2 MET B 596 3.620 4.776 1.850 1.00 0.00 H new ATOM 0 HE3 MET B 596 3.519 6.464 2.404 1.00 0.00 H new ATOM 1163 N LEU B 597 4.442 6.673 6.873 1.00 0.00 N ATOM 1164 CA LEU B 597 5.412 7.718 7.183 1.00 0.00 C ATOM 1165 C LEU B 597 6.118 7.431 8.504 1.00 0.00 C ATOM 1166 O LEU B 597 7.065 8.123 8.875 1.00 0.00 O ATOM 1167 CB LEU B 597 4.720 9.081 7.248 1.00 0.00 C ATOM 1168 CG LEU B 597 3.966 9.391 8.542 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.079 8.220 8.936 1.00 0.00 C ATOM 1170 CD2 LEU B 597 4.943 9.724 9.660 1.00 0.00 C ATOM 0 H LEU B 597 3.468 6.969 6.937 1.00 0.00 H new ATOM 0 HA LEU B 597 6.158 7.733 6.389 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.472 9.855 7.095 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.018 9.150 6.417 1.00 0.00 H new ATOM 0 HG LEU B 597 3.330 10.260 8.372 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.550 8.458 9.859 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.356 8.028 8.143 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.694 7.333 9.089 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.390 9.942 10.574 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.604 8.874 9.830 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.536 10.594 9.378 1.00 0.00 H new ATOM 1182 N GLU B 598 5.651 6.404 9.208 1.00 0.00 N ATOM 1183 CA GLU B 598 6.239 6.025 10.487 1.00 0.00 C ATOM 1184 C GLU B 598 7.311 4.955 10.297 1.00 0.00 C ATOM 1185 O GLU B 598 8.093 4.676 11.206 1.00 0.00 O ATOM 1186 CB GLU B 598 5.157 5.514 11.441 1.00 0.00 C ATOM 1187 CG GLU B 598 4.014 6.495 11.645 1.00 0.00 C ATOM 1188 CD GLU B 598 3.342 6.334 12.995 1.00 0.00 C ATOM 1189 OE1 GLU B 598 2.979 5.191 13.344 1.00 0.00 O ATOM 1190 OE2 GLU B 598 3.179 7.350 13.702 1.00 0.00 O ATOM 0 H GLU B 598 4.868 5.820 8.914 1.00 0.00 H new ATOM 0 HA GLU B 598 6.705 6.910 10.919 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.756 4.577 11.054 1.00 0.00 H new ATOM 0 HB3 GLU B 598 5.611 5.292 12.407 1.00 0.00 H new ATOM 0 HG2 GLU B 598 4.392 7.513 11.551 1.00 0.00 H new ATOM 0 HG3 GLU B 598 3.275 6.355 10.856 1.00 0.00 H new ATOM 1197 N SER B 599 7.340 4.360 9.109 1.00 0.00 N ATOM 1198 CA SER B 599 8.313 3.318 8.800 1.00 0.00 C ATOM 1199 C SER B 599 9.490 3.889 8.016 1.00 0.00 C ATOM 1200 O SER B 599 9.326 4.516 6.969 1.00 0.00 O ATOM 1201 CB SER B 599 7.650 2.193 8.002 1.00 0.00 C ATOM 1202 OG SER B 599 6.412 2.616 7.457 1.00 0.00 O ATOM 0 H SER B 599 6.702 4.581 8.345 1.00 0.00 H new ATOM 0 HA SER B 599 8.688 2.914 9.740 1.00 0.00 H new ATOM 0 HB2 SER B 599 8.314 1.872 7.199 1.00 0.00 H new ATOM 0 HB3 SER B 599 7.491 1.330 8.648 1.00 0.00 H new ATOM 0 HG SER B 599 6.527 3.485 7.019 1.00 0.00 H new ATOM 1208 N PRO B 600 10.708 3.667 8.533 1.00 0.00 N ATOM 1209 CA PRO B 600 11.937 4.150 7.898 1.00 0.00 C ATOM 1210 C PRO B 600 12.247 3.413 6.600 1.00 0.00 C ATOM 1211 O PRO B 600 12.540 4.034 5.578 1.00 0.00 O ATOM 1212 CB PRO B 600 13.015 3.863 8.947 1.00 0.00 C ATOM 1213 CG PRO B 600 12.469 2.734 9.751 1.00 0.00 C ATOM 1214 CD PRO B 600 10.978 2.928 9.778 1.00 0.00 C ATOM 0 HA PRO B 600 11.865 5.201 7.618 1.00 0.00 H new ATOM 0 HB2 PRO B 600 13.962 3.594 8.479 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.204 4.737 9.570 1.00 0.00 H new ATOM 0 HG2 PRO B 600 12.730 1.775 9.304 1.00 0.00 H new ATOM 0 HG3 PRO B 600 12.881 2.738 10.760 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.449 1.975 9.803 1.00 0.00 H new ATOM 0 HD3 PRO B 600 10.662 3.491 10.656 1.00 0.00 H new ATOM 1222 N GLU B 601 12.181 2.086 6.648 1.00 0.00 N ATOM 1223 CA GLU B 601 12.455 1.266 5.474 1.00 0.00 C ATOM 1224 C GLU B 601 11.381 1.464 4.408 1.00 0.00 C ATOM 1225 O GLU B 601 11.588 1.149 3.237 1.00 0.00 O ATOM 1226 CB GLU B 601 12.535 -0.212 5.864 1.00 0.00 C ATOM 1227 CG GLU B 601 13.412 -1.039 4.940 1.00 0.00 C ATOM 1228 CD GLU B 601 13.226 -2.531 5.139 1.00 0.00 C ATOM 1229 OE1 GLU B 601 12.627 -2.921 6.162 1.00 0.00 O ATOM 1230 OE2 GLU B 601 13.681 -3.307 4.273 1.00 0.00 O ATOM 0 H GLU B 601 11.940 1.557 7.486 1.00 0.00 H new ATOM 0 HA GLU B 601 13.414 1.578 5.061 1.00 0.00 H new ATOM 0 HB2 GLU B 601 12.919 -0.290 6.881 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.529 -0.633 5.869 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.185 -0.783 3.905 1.00 0.00 H new ATOM 0 HG3 GLU B 601 14.457 -0.781 5.110 1.00 0.00 H new ATOM 1237 N SER B 602 10.232 1.988 4.825 1.00 0.00 N ATOM 1238 CA SER B 602 9.123 2.224 3.908 1.00 0.00 C ATOM 1239 C SER B 602 9.293 3.555 3.182 1.00 0.00 C ATOM 1240 O SER B 602 9.255 3.614 1.952 1.00 0.00 O ATOM 1241 CB SER B 602 7.795 2.209 4.666 1.00 0.00 C ATOM 1242 OG SER B 602 7.555 0.941 5.251 1.00 0.00 O ATOM 0 H SER B 602 10.045 2.257 5.791 1.00 0.00 H new ATOM 0 HA SER B 602 9.119 1.424 3.168 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.807 2.974 5.442 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.981 2.458 3.985 1.00 0.00 H new ATOM 0 HG SER B 602 6.742 0.981 5.797 1.00 0.00 H new ATOM 1248 N LEU B 603 9.480 4.622 3.951 1.00 0.00 N ATOM 1249 CA LEU B 603 9.655 5.954 3.383 1.00 0.00 C ATOM 1250 C LEU B 603 10.736 5.949 2.307 1.00 0.00 C ATOM 1251 O LEU B 603 10.466 6.235 1.141 1.00 0.00 O ATOM 1252 CB LEU B 603 10.018 6.954 4.482 1.00 0.00 C ATOM 1253 CG LEU B 603 10.715 8.235 4.020 1.00 0.00 C ATOM 1254 CD1 LEU B 603 9.875 8.953 2.976 1.00 0.00 C ATOM 1255 CD2 LEU B 603 10.992 9.148 5.205 1.00 0.00 C ATOM 0 H LEU B 603 9.514 4.591 4.970 1.00 0.00 H new ATOM 0 HA LEU B 603 8.713 6.254 2.924 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.105 7.231 5.010 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.664 6.453 5.203 1.00 0.00 H new ATOM 0 HG LEU B 603 11.668 7.964 3.565 1.00 0.00 H new ATOM 0 HD11 LEU B 603 10.387 9.862 2.659 1.00 0.00 H new ATOM 0 HD12 LEU B 603 9.728 8.300 2.115 1.00 0.00 H new ATOM 0 HD13 LEU B 603 8.907 9.212 3.404 1.00 0.00 H new ATOM 0 HD21 LEU B 603 11.488 10.054 4.858 1.00 0.00 H new ATOM 0 HD22 LEU B 603 10.052 9.412 5.689 1.00 0.00 H new ATOM 0 HD23 LEU B 603 11.635 8.633 5.919 1.00 0.00 H new ATOM 1267 N ARG B 604 11.960 5.619 2.707 1.00 0.00 N ATOM 1268 CA ARG B 604 13.082 5.575 1.776 1.00 0.00 C ATOM 1269 C ARG B 604 12.764 4.680 0.583 1.00 0.00 C ATOM 1270 O ARG B 604 13.101 5.003 -0.556 1.00 0.00 O ATOM 1271 CB ARG B 604 14.340 5.071 2.485 1.00 0.00 C ATOM 1272 CG ARG B 604 15.633 5.493 1.805 1.00 0.00 C ATOM 1273 CD ARG B 604 16.844 4.850 2.463 1.00 0.00 C ATOM 1274 NE ARG B 604 17.954 4.691 1.528 1.00 0.00 N ATOM 1275 CZ ARG B 604 17.980 3.775 0.566 1.00 0.00 C ATOM 1276 NH1 ARG B 604 16.960 2.942 0.413 1.00 0.00 N ATOM 1277 NH2 ARG B 604 19.026 3.692 -0.245 1.00 0.00 N ATOM 0 H ARG B 604 12.200 5.378 3.669 1.00 0.00 H new ATOM 0 HA ARG B 604 13.259 6.587 1.411 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.341 5.440 3.511 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.306 3.983 2.538 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.599 5.215 0.752 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.729 6.578 1.845 1.00 0.00 H new ATOM 0 HD2 ARG B 604 17.165 5.461 3.307 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.564 3.875 2.863 1.00 0.00 H new ATOM 0 HE ARG B 604 18.754 5.318 1.618 1.00 0.00 H new ATOM 0 HH11 ARG B 604 16.153 3.004 1.034 1.00 0.00 H new ATOM 0 HH12 ARG B 604 16.982 2.239 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG B 604 19.812 4.332 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG B 604 19.044 2.988 -0.983 1.00 0.00 H new ATOM 1291 N SER B 605 12.112 3.553 0.852 1.00 0.00 N ATOM 1292 CA SER B 605 11.752 2.609 -0.199 1.00 0.00 C ATOM 1293 C SER B 605 10.843 3.267 -1.233 1.00 0.00 C ATOM 1294 O SER B 605 11.119 3.232 -2.432 1.00 0.00 O ATOM 1295 CB SER B 605 11.057 1.385 0.401 1.00 0.00 C ATOM 1296 OG SER B 605 10.478 0.579 -0.610 1.00 0.00 O ATOM 0 H SER B 605 11.823 3.272 1.789 1.00 0.00 H new ATOM 0 HA SER B 605 12.668 2.291 -0.696 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.777 0.797 0.971 1.00 0.00 H new ATOM 0 HB3 SER B 605 10.285 1.708 1.100 1.00 0.00 H new ATOM 0 HG SER B 605 10.042 -0.197 -0.200 1.00 0.00 H new ATOM 1302 N LYS B 606 9.756 3.867 -0.759 1.00 0.00 N ATOM 1303 CA LYS B 606 8.805 4.536 -1.640 1.00 0.00 C ATOM 1304 C LYS B 606 9.506 5.576 -2.508 1.00 0.00 C ATOM 1305 O LYS B 606 9.428 5.529 -3.736 1.00 0.00 O ATOM 1306 CB LYS B 606 7.700 5.203 -0.818 1.00 0.00 C ATOM 1307 CG LYS B 606 6.805 4.217 -0.088 1.00 0.00 C ATOM 1308 CD LYS B 606 6.099 3.282 -1.056 1.00 0.00 C ATOM 1309 CE LYS B 606 5.243 4.052 -2.050 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.502 3.141 -2.966 1.00 0.00 N ATOM 0 H LYS B 606 9.512 3.904 0.231 1.00 0.00 H new ATOM 0 HA LYS B 606 8.361 3.784 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS B 606 8.155 5.875 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS B 606 7.087 5.816 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.401 3.633 0.613 1.00 0.00 H new ATOM 0 HG3 LYS B 606 6.065 4.761 0.499 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.838 2.688 -1.594 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.473 2.585 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.534 4.679 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.877 4.719 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 4.256 3.651 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.100 2.323 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.632 2.812 -2.500 1.00 0.00 H new ATOM 1324 N VAL B 607 10.193 6.513 -1.863 1.00 0.00 N ATOM 1325 CA VAL B 607 10.910 7.563 -2.577 1.00 0.00 C ATOM 1326 C VAL B 607 11.824 6.976 -3.646 1.00 0.00 C ATOM 1327 O VAL B 607 11.874 7.468 -4.773 1.00 0.00 O ATOM 1328 CB VAL B 607 11.750 8.423 -1.614 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.525 9.483 -2.382 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.862 9.062 -0.557 1.00 0.00 C ATOM 0 H VAL B 607 10.268 6.567 -0.847 1.00 0.00 H new ATOM 0 HA VAL B 607 10.158 8.192 -3.053 1.00 0.00 H new ATOM 0 HB VAL B 607 12.468 7.776 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.112 10.081 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.191 9.000 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL B 607 11.827 10.129 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.472 9.666 0.114 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.119 9.696 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.357 8.283 0.014 1.00 0.00 H new ATOM 1340 N ASP B 608 12.545 5.920 -3.284 1.00 0.00 N ATOM 1341 CA ASP B 608 13.457 5.263 -4.213 1.00 0.00 C ATOM 1342 C ASP B 608 12.710 4.756 -5.442 1.00 0.00 C ATOM 1343 O ASP B 608 13.038 5.117 -6.572 1.00 0.00 O ATOM 1344 CB ASP B 608 14.173 4.102 -3.521 1.00 0.00 C ATOM 1345 CG ASP B 608 14.876 3.187 -4.505 1.00 0.00 C ATOM 1346 OD1 ASP B 608 14.214 2.276 -5.046 1.00 0.00 O ATOM 1347 OD2 ASP B 608 16.087 3.382 -4.736 1.00 0.00 O ATOM 0 H ASP B 608 12.515 5.501 -2.354 1.00 0.00 H new ATOM 0 HA ASP B 608 14.196 5.995 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.901 4.498 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.450 3.525 -2.945 1.00 0.00 H new ATOM 1352 N GLU B 609 11.704 3.918 -5.213 1.00 0.00 N ATOM 1353 CA GLU B 609 10.912 3.361 -6.303 1.00 0.00 C ATOM 1354 C GLU B 609 10.399 4.465 -7.223 1.00 0.00 C ATOM 1355 O GLU B 609 10.549 4.391 -8.442 1.00 0.00 O ATOM 1356 CB GLU B 609 9.734 2.557 -5.748 1.00 0.00 C ATOM 1357 CG GLU B 609 10.050 1.087 -5.529 1.00 0.00 C ATOM 1358 CD GLU B 609 10.536 0.797 -4.123 1.00 0.00 C ATOM 1359 OE1 GLU B 609 9.705 0.821 -3.191 1.00 0.00 O ATOM 1360 OE2 GLU B 609 11.747 0.546 -3.954 1.00 0.00 O ATOM 0 H GLU B 609 11.418 3.610 -4.283 1.00 0.00 H new ATOM 0 HA GLU B 609 11.555 2.698 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.418 2.997 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU B 609 8.892 2.641 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.158 0.494 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU B 609 10.810 0.772 -6.244 1.00 0.00 H new ATOM 1367 N ALA B 610 9.793 5.488 -6.629 1.00 0.00 N ATOM 1368 CA ALA B 610 9.259 6.608 -7.394 1.00 0.00 C ATOM 1369 C ALA B 610 10.319 7.196 -8.319 1.00 0.00 C ATOM 1370 O ALA B 610 10.147 7.226 -9.537 1.00 0.00 O ATOM 1371 CB ALA B 610 8.722 7.679 -6.456 1.00 0.00 C ATOM 0 H ALA B 610 9.660 5.564 -5.621 1.00 0.00 H new ATOM 0 HA ALA B 610 8.441 6.237 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.326 8.510 -7.041 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.928 7.258 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.527 8.038 -5.815 1.00 0.00 H new ATOM 1377 N VAL B 611 11.416 7.664 -7.732 1.00 0.00 N ATOM 1378 CA VAL B 611 12.505 8.251 -8.504 1.00 0.00 C ATOM 1379 C VAL B 611 12.915 7.340 -9.656 1.00 0.00 C ATOM 1380 O VAL B 611 13.179 7.805 -10.765 1.00 0.00 O ATOM 1381 CB VAL B 611 13.735 8.527 -7.619 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.873 9.101 -8.450 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.371 9.465 -6.479 1.00 0.00 C ATOM 0 H VAL B 611 11.574 7.648 -6.724 1.00 0.00 H new ATOM 0 HA VAL B 611 12.136 9.195 -8.905 1.00 0.00 H new ATOM 0 HB VAL B 611 14.071 7.583 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.733 9.290 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.150 8.390 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.552 10.035 -8.910 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.252 9.649 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL B 611 13.009 10.409 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.591 9.010 -5.869 1.00 0.00 H new ATOM 1393 N ALA B 612 12.967 6.040 -9.385 1.00 0.00 N ATOM 1394 CA ALA B 612 13.343 5.063 -10.400 1.00 0.00 C ATOM 1395 C ALA B 612 12.346 5.059 -11.554 1.00 0.00 C ATOM 1396 O ALA B 612 12.731 4.958 -12.719 1.00 0.00 O ATOM 1397 CB ALA B 612 13.445 3.675 -9.784 1.00 0.00 C ATOM 0 H ALA B 612 12.754 5.639 -8.472 1.00 0.00 H new ATOM 0 HA ALA B 612 14.318 5.345 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.726 2.955 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.200 3.680 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.481 3.394 -9.359 1.00 0.00 H new ATOM 1403 N VAL B 613 11.064 5.170 -11.223 1.00 0.00 N ATOM 1404 CA VAL B 613 10.012 5.179 -12.232 1.00 0.00 C ATOM 1405 C VAL B 613 10.111 6.417 -13.118 1.00 0.00 C ATOM 1406 O VAL B 613 9.865 6.353 -14.323 1.00 0.00 O ATOM 1407 CB VAL B 613 8.614 5.134 -11.587 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.531 5.243 -12.649 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.445 3.862 -10.771 1.00 0.00 C ATOM 0 H VAL B 613 10.729 5.255 -10.263 1.00 0.00 H new ATOM 0 HA VAL B 613 10.151 4.286 -12.842 1.00 0.00 H new ATOM 0 HB VAL B 613 8.516 5.986 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.551 5.209 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.642 6.185 -13.186 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.623 4.413 -13.349 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.452 3.847 -10.322 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.563 2.995 -11.421 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.199 3.832 -9.984 1.00 0.00 H new ATOM 1419 N LEU B 614 10.472 7.543 -12.512 1.00 0.00 N ATOM 1420 CA LEU B 614 10.605 8.797 -13.246 1.00 0.00 C ATOM 1421 C LEU B 614 11.478 8.614 -14.483 1.00 0.00 C ATOM 1422 O LEU B 614 11.288 9.291 -15.493 1.00 0.00 O ATOM 1423 CB LEU B 614 11.200 9.878 -12.342 1.00 0.00 C ATOM 1424 CG LEU B 614 10.513 10.077 -10.991 1.00 0.00 C ATOM 1425 CD1 LEU B 614 11.015 11.345 -10.318 1.00 0.00 C ATOM 1426 CD2 LEU B 614 9.002 10.124 -11.163 1.00 0.00 C ATOM 0 H LEU B 614 10.678 7.613 -11.515 1.00 0.00 H new ATOM 0 HA LEU B 614 9.612 9.108 -13.569 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.248 9.637 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.179 10.825 -12.881 1.00 0.00 H new ATOM 0 HG LEU B 614 10.759 9.229 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.515 11.470 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU B 614 12.091 11.271 -10.160 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.800 12.204 -10.954 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.529 10.266 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.736 10.952 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.656 9.188 -11.601 1.00 0.00 H new ATOM 1438 N GLN B 615 12.434 7.695 -14.396 1.00 0.00 N ATOM 1439 CA GLN B 615 13.336 7.423 -15.509 1.00 0.00 C ATOM 1440 C GLN B 615 12.553 7.163 -16.792 1.00 0.00 C ATOM 1441 O GLN B 615 13.027 7.453 -17.890 1.00 0.00 O ATOM 1442 CB GLN B 615 14.228 6.223 -15.189 1.00 0.00 C ATOM 1443 CG GLN B 615 15.044 5.738 -16.377 1.00 0.00 C ATOM 1444 CD GLN B 615 16.213 4.866 -15.964 1.00 0.00 C ATOM 1445 OE1 GLN B 615 16.178 3.645 -16.120 1.00 0.00 O ATOM 1446 NE2 GLN B 615 17.259 5.490 -15.433 1.00 0.00 N ATOM 0 H GLN B 615 12.604 7.126 -13.567 1.00 0.00 H new ATOM 0 HA GLN B 615 13.963 8.302 -15.659 1.00 0.00 H new ATOM 0 HB2 GLN B 615 14.906 6.490 -14.378 1.00 0.00 H new ATOM 0 HB3 GLN B 615 13.606 5.404 -14.828 1.00 0.00 H new ATOM 0 HG2 GLN B 615 14.398 5.177 -17.052 1.00 0.00 H new ATOM 0 HG3 GLN B 615 15.416 6.598 -16.933 1.00 0.00 H new ATOM 0 HE21 GLN B 615 17.246 6.504 -15.322 1.00 0.00 H new ATOM 0 HE22 GLN B 615 18.075 4.955 -15.136 1.00 0.00 H new