USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.32 K(o=-1.3,f=-7.1!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0726) USER MOD Single : B 552 SER OG : rot -54:sc= 0.132 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 558 GLN : amide:sc= -2.61 X(o=-2.6,f=-3!) USER MOD Single : B 559 LYS NZ :NH3+ -160:sc= -0.606 (180deg=-1.7!) USER MOD Single : B 560 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.5!) USER MOD Single : B 561 MET CE :methyl 154:sc= -2.89 (180deg=-3.85!) USER MOD Single : B 571 GLN : amide:sc= -1.89 X(o=-1.9,f=-2.3) USER MOD Single : B 573 MET CE :methyl -140:sc= -3.44! (180deg=-7.48!) USER MOD Single : B 574 HIS : no HD1:sc= -8.02! C(o=-8!,f=-8.1!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.683 USER MOD Single : B 580 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.102) USER MOD Single : B 582 THR OG1 : rot 180:sc= 0 USER MOD Single : B 584 MET CE :methyl 166:sc= -8.41! (180deg=-9.14!) USER MOD Single : B 590 ASN : amide:sc= -2.01 K(o=-2,f=-6.4!) 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 -170:sc= -1.5 (180deg=-2.42) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -168:sc= -0.363 (180deg=-0.542) USER MOD Single : B 615 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 6.876 -1.939 -8.887 1.00 0.00 N ATOM 67 CA GLN A 68 7.033 -0.584 -9.402 1.00 0.00 C ATOM 68 C GLN A 68 5.694 0.148 -9.427 1.00 0.00 C ATOM 69 O GLN A 68 4.648 -0.441 -9.151 1.00 0.00 O ATOM 70 CB GLN A 68 7.635 -0.617 -10.808 1.00 0.00 C ATOM 71 CG GLN A 68 6.652 -1.053 -11.882 1.00 0.00 C ATOM 72 CD GLN A 68 7.311 -1.860 -12.983 1.00 0.00 C ATOM 73 OE1 GLN A 68 7.955 -1.306 -13.874 1.00 0.00 O ATOM 74 NE2 GLN A 68 7.152 -3.177 -12.928 1.00 0.00 N ATOM 0 HA GLN A 68 7.708 -0.046 -8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.014 0.375 -11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.489 -1.294 -10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.861 -1.647 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.179 -0.172 -12.316 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.610 -3.594 -12.171 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.572 -3.772 -13.642 1.00 0.00 H new ATOM 83 N LEU A 69 5.735 1.433 -9.758 1.00 0.00 N ATOM 84 CA LEU A 69 4.525 2.246 -9.818 1.00 0.00 C ATOM 85 C LEU A 69 4.419 2.965 -11.159 1.00 0.00 C ATOM 86 O LEU A 69 5.249 2.772 -12.046 1.00 0.00 O ATOM 87 CB LEU A 69 4.514 3.266 -8.678 1.00 0.00 C ATOM 88 CG LEU A 69 5.782 4.105 -8.516 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.799 5.246 -9.521 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.889 4.641 -7.096 1.00 0.00 C ATOM 0 H LEU A 69 6.592 1.935 -9.989 1.00 0.00 H new ATOM 0 HA LEU A 69 3.666 1.583 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.672 3.942 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.332 2.735 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 69 6.644 3.466 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.709 5.832 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.770 4.841 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.930 5.884 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.797 5.236 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.022 5.264 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.924 3.808 -6.394 1.00 0.00 H new ATOM 102 N ASN A 70 3.391 3.797 -11.299 1.00 0.00 N ATOM 103 CA ASN A 70 3.177 4.547 -12.532 1.00 0.00 C ATOM 104 C ASN A 70 3.597 6.004 -12.362 1.00 0.00 C ATOM 105 O ASN A 70 3.283 6.638 -11.355 1.00 0.00 O ATOM 106 CB ASN A 70 1.707 4.473 -12.949 1.00 0.00 C ATOM 107 CG ASN A 70 0.787 5.140 -11.944 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.107 5.235 -10.760 1.00 0.00 O ATOM 109 ND2 ASN A 70 -0.364 5.606 -12.415 1.00 0.00 N ATOM 0 H ASN A 70 2.694 3.969 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 70 3.792 4.099 -13.313 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.584 4.949 -13.922 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.417 3.429 -13.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.024 6.065 -11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.588 5.505 -13.405 1.00 0.00 H new ATOM 116 N VAL A 71 4.308 6.528 -13.355 1.00 0.00 N ATOM 117 CA VAL A 71 4.770 7.911 -13.317 1.00 0.00 C ATOM 118 C VAL A 71 3.714 8.858 -13.875 1.00 0.00 C ATOM 119 O VAL A 71 3.755 10.063 -13.630 1.00 0.00 O ATOM 120 CB VAL A 71 6.076 8.089 -14.114 1.00 0.00 C ATOM 121 CG1 VAL A 71 5.828 7.878 -15.600 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.675 9.462 -13.854 1.00 0.00 C ATOM 0 H VAL A 71 4.577 6.016 -14.195 1.00 0.00 H new ATOM 0 HA VAL A 71 4.956 8.154 -12.271 1.00 0.00 H new ATOM 0 HB VAL A 71 6.791 7.337 -13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.762 8.008 -16.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.447 6.870 -15.766 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.097 8.605 -15.954 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.597 9.571 -14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.966 10.232 -14.159 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.892 9.569 -12.791 1.00 0.00 H new ATOM 132 N ASN A 72 2.768 8.305 -14.626 1.00 0.00 N ATOM 133 CA ASN A 72 1.700 9.101 -15.220 1.00 0.00 C ATOM 134 C ASN A 72 0.736 9.603 -14.149 1.00 0.00 C ATOM 135 O ASN A 72 0.004 10.569 -14.362 1.00 0.00 O ATOM 136 CB ASN A 72 0.939 8.276 -16.261 1.00 0.00 C ATOM 137 CG ASN A 72 1.500 8.450 -17.659 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.272 9.470 -18.309 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.239 7.452 -18.128 1.00 0.00 N ATOM 0 H ASN A 72 2.719 7.308 -14.838 1.00 0.00 H new ATOM 0 HA ASN A 72 2.153 9.963 -15.710 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.979 7.222 -15.985 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.111 8.568 -16.255 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.644 7.512 -19.062 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.402 6.625 -17.554 1.00 0.00 H new ATOM 146 N ALA A 73 0.742 8.940 -12.997 1.00 0.00 N ATOM 147 CA ALA A 73 -0.129 9.320 -11.892 1.00 0.00 C ATOM 148 C ALA A 73 0.004 10.806 -11.575 1.00 0.00 C ATOM 149 O ALA A 73 1.100 11.299 -11.308 1.00 0.00 O ATOM 150 CB ALA A 73 0.187 8.485 -10.660 1.00 0.00 C ATOM 0 H ALA A 73 1.341 8.137 -12.805 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.160 9.130 -12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.471 8.779 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.034 7.430 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.224 8.647 -10.367 1.00 0.00 H new ATOM 156 N LYS A 74 -1.119 11.515 -11.606 1.00 0.00 N ATOM 157 CA LYS A 74 -1.130 12.945 -11.321 1.00 0.00 C ATOM 158 C LYS A 74 -0.435 13.241 -9.996 1.00 0.00 C ATOM 159 O LYS A 74 -0.269 12.366 -9.145 1.00 0.00 O ATOM 160 CB LYS A 74 -2.568 13.468 -11.284 1.00 0.00 C ATOM 161 CG LYS A 74 -3.072 13.959 -12.630 1.00 0.00 C ATOM 162 CD LYS A 74 -4.141 15.027 -12.468 1.00 0.00 C ATOM 163 CE LYS A 74 -5.509 14.413 -12.219 1.00 0.00 C ATOM 164 NZ LYS A 74 -6.086 13.822 -13.458 1.00 0.00 N ATOM 0 H LYS A 74 -2.034 11.122 -11.826 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.586 13.453 -12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.225 12.675 -10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.631 14.283 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.239 14.361 -13.207 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.477 13.120 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.879 15.683 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.177 15.646 -13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.427 13.642 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.184 15.176 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.094 13.614 -13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.986 14.496 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.582 12.943 -13.690 1.00 0.00 H new ATOM 178 N PRO A 75 -0.020 14.503 -9.813 1.00 0.00 N ATOM 179 CA PRO A 75 0.661 14.944 -8.592 1.00 0.00 C ATOM 180 C PRO A 75 -0.271 14.972 -7.386 1.00 0.00 C ATOM 181 O PRO A 75 -0.390 13.987 -6.657 1.00 0.00 O ATOM 182 CB PRO A 75 1.130 16.359 -8.939 1.00 0.00 C ATOM 183 CG PRO A 75 0.188 16.822 -9.995 1.00 0.00 C ATOM 184 CD PRO A 75 -0.185 15.598 -10.784 1.00 0.00 C ATOM 0 HA PRO A 75 1.469 14.269 -8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.098 17.012 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.159 16.358 -9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.694 17.286 -9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.656 17.571 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.208 15.655 -11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.462 15.467 -11.652 1.00 0.00 H new ATOM 192 N PHE A 76 -0.932 16.107 -7.182 1.00 0.00 N ATOM 193 CA PHE A 76 -1.854 16.263 -6.063 1.00 0.00 C ATOM 194 C PHE A 76 -2.621 17.578 -6.170 1.00 0.00 C ATOM 195 O PHE A 76 -2.592 18.245 -7.205 1.00 0.00 O ATOM 196 CB PHE A 76 -1.094 16.210 -4.736 1.00 0.00 C ATOM 197 CG PHE A 76 -0.192 17.390 -4.515 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.951 17.559 -5.280 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.485 18.330 -3.540 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.783 18.644 -5.079 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.343 19.417 -3.335 1.00 0.00 C ATOM 202 CZ PHE A 76 1.479 19.574 -4.105 1.00 0.00 C ATOM 0 H PHE A 76 -0.846 16.931 -7.776 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.569 15.441 -6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.812 16.153 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.499 15.297 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.195 16.834 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.371 18.212 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.670 18.764 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.102 20.144 -2.573 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.128 20.422 -3.945 1.00 0.00 H new ATOM 212 N VAL A 77 -3.308 17.946 -5.093 1.00 0.00 N ATOM 213 CA VAL A 77 -4.082 19.181 -5.064 1.00 0.00 C ATOM 214 C VAL A 77 -3.272 20.324 -4.463 1.00 0.00 C ATOM 215 O VAL A 77 -3.020 20.374 -3.259 1.00 0.00 O ATOM 216 CB VAL A 77 -5.383 19.009 -4.257 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.145 20.323 -4.186 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.247 17.915 -4.866 1.00 0.00 C ATOM 0 H VAL A 77 -3.344 17.406 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.333 19.421 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.123 18.712 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.061 20.182 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.525 21.077 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.396 20.653 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.162 17.807 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.500 18.180 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.699 16.973 -4.859 1.00 0.00 H new ATOM 228 N PRO A 78 -2.853 21.266 -5.321 1.00 0.00 N ATOM 229 CA PRO A 78 -2.065 22.428 -4.898 1.00 0.00 C ATOM 230 C PRO A 78 -2.882 23.410 -4.064 1.00 0.00 C ATOM 231 O PRO A 78 -4.007 23.113 -3.665 1.00 0.00 O ATOM 232 CB PRO A 78 -1.643 23.072 -6.221 1.00 0.00 C ATOM 233 CG PRO A 78 -2.684 22.646 -7.198 1.00 0.00 C ATOM 234 CD PRO A 78 -3.117 21.271 -6.770 1.00 0.00 C ATOM 0 HA PRO A 78 -1.228 22.142 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.600 24.158 -6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.652 22.736 -6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.526 23.338 -7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.285 22.631 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.171 21.096 -6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.552 20.493 -7.284 1.00 0.00 H new ATOM 424 N LEU B 550 -6.494 14.428 8.870 1.00 0.00 N ATOM 425 CA LEU B 550 -7.311 13.825 7.823 1.00 0.00 C ATOM 426 C LEU B 550 -8.468 13.032 8.423 1.00 0.00 C ATOM 427 O LEU B 550 -8.969 12.088 7.813 1.00 0.00 O ATOM 428 CB LEU B 550 -6.455 12.913 6.942 1.00 0.00 C ATOM 429 CG LEU B 550 -5.636 13.607 5.854 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.416 14.287 6.455 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.219 12.610 4.782 1.00 0.00 C ATOM 0 HA LEU B 550 -7.724 14.627 7.212 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.772 12.358 7.585 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.109 12.183 6.466 1.00 0.00 H new ATOM 0 HG LEU B 550 -6.260 14.371 5.389 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.846 14.775 5.665 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.736 15.031 7.184 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.790 13.543 6.947 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.637 13.122 4.016 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.614 11.823 5.232 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -6.107 12.170 4.329 1.00 0.00 H new ATOM 443 N ALA B 551 -8.887 13.423 9.622 1.00 0.00 N ATOM 444 CA ALA B 551 -9.987 12.751 10.303 1.00 0.00 C ATOM 445 C ALA B 551 -11.229 13.635 10.343 1.00 0.00 C ATOM 446 O ALA B 551 -12.352 13.140 10.438 1.00 0.00 O ATOM 447 CB ALA B 551 -9.572 12.356 11.712 1.00 0.00 C ATOM 0 H ALA B 551 -8.482 14.201 10.142 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.233 11.849 9.742 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.403 11.855 12.209 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.718 11.681 11.664 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.298 13.249 12.274 1.00 0.00 H new ATOM 453 N SER B 552 -11.020 14.946 10.272 1.00 0.00 N ATOM 454 CA SER B 552 -12.123 15.899 10.305 1.00 0.00 C ATOM 455 C SER B 552 -12.067 16.837 9.103 1.00 0.00 C ATOM 456 O SER B 552 -12.474 17.995 9.187 1.00 0.00 O ATOM 457 CB SER B 552 -12.085 16.710 11.602 1.00 0.00 C ATOM 458 OG SER B 552 -13.334 17.333 11.850 1.00 0.00 O ATOM 0 H SER B 552 -10.097 15.372 10.191 1.00 0.00 H new ATOM 0 HA SER B 552 -13.057 15.338 10.263 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.829 16.057 12.436 1.00 0.00 H new ATOM 0 HB3 SER B 552 -11.303 17.467 11.539 1.00 0.00 H new ATOM 0 HG SER B 552 -13.593 17.868 11.071 1.00 0.00 H new ATOM 464 N ALA B 553 -11.558 16.328 7.986 1.00 0.00 N ATOM 465 CA ALA B 553 -11.450 17.118 6.766 1.00 0.00 C ATOM 466 C ALA B 553 -12.045 16.374 5.576 1.00 0.00 C ATOM 467 O ALA B 553 -12.210 15.154 5.594 1.00 0.00 O ATOM 468 CB ALA B 553 -9.995 17.474 6.496 1.00 0.00 C ATOM 0 H ALA B 553 -11.214 15.372 7.901 1.00 0.00 H new ATOM 0 HA ALA B 553 -12.018 18.038 6.906 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.928 18.064 5.582 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.601 18.053 7.331 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.412 16.560 6.381 1.00 0.00 H new ATOM 474 N PRO B 554 -12.376 17.124 4.514 1.00 0.00 N ATOM 475 CA PRO B 554 -12.959 16.556 3.294 1.00 0.00 C ATOM 476 C PRO B 554 -11.957 15.715 2.511 1.00 0.00 C ATOM 477 O PRO B 554 -10.757 15.716 2.789 1.00 0.00 O ATOM 478 CB PRO B 554 -13.366 17.791 2.488 1.00 0.00 C ATOM 479 CG PRO B 554 -12.463 18.874 2.969 1.00 0.00 C ATOM 480 CD PRO B 554 -12.207 18.584 4.422 1.00 0.00 C ATOM 0 HA PRO B 554 -13.787 15.881 3.513 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.246 17.622 1.418 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.413 18.045 2.655 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.531 18.885 2.403 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.925 19.853 2.842 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.206 18.892 4.723 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.910 19.111 5.067 1.00 0.00 H new ATOM 488 N PRO B 555 -12.458 14.979 1.507 1.00 0.00 N ATOM 489 CA PRO B 555 -11.623 14.121 0.662 1.00 0.00 C ATOM 490 C PRO B 555 -10.705 14.924 -0.254 1.00 0.00 C ATOM 491 O PRO B 555 -9.840 14.364 -0.925 1.00 0.00 O ATOM 492 CB PRO B 555 -12.644 13.332 -0.162 1.00 0.00 C ATOM 493 CG PRO B 555 -13.854 14.200 -0.195 1.00 0.00 C ATOM 494 CD PRO B 555 -13.877 14.930 1.120 1.00 0.00 C ATOM 0 HA PRO B 555 -10.956 13.494 1.253 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.272 13.132 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.861 12.367 0.295 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.809 14.900 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.758 13.605 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.300 15.929 1.018 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.478 14.404 1.862 1.00 0.00 H new ATOM 502 N GLN B 556 -10.901 16.238 -0.275 1.00 0.00 N ATOM 503 CA GLN B 556 -10.091 17.118 -1.109 1.00 0.00 C ATOM 504 C GLN B 556 -8.930 17.705 -0.314 1.00 0.00 C ATOM 505 O GLN B 556 -7.806 17.786 -0.808 1.00 0.00 O ATOM 506 CB GLN B 556 -10.951 18.244 -1.685 1.00 0.00 C ATOM 507 CG GLN B 556 -11.844 18.916 -0.654 1.00 0.00 C ATOM 508 CD GLN B 556 -12.537 20.150 -1.198 1.00 0.00 C ATOM 509 OE1 GLN B 556 -13.727 20.120 -1.511 1.00 0.00 O ATOM 510 NE2 GLN B 556 -11.794 21.244 -1.313 1.00 0.00 N ATOM 0 H GLN B 556 -11.614 16.717 0.276 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.684 16.526 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -10.300 18.994 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -11.573 17.842 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -12.595 18.204 -0.310 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -11.246 19.193 0.214 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -10.811 21.224 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -12.206 22.105 -1.673 1.00 0.00 H new ATOM 519 N GLU B 557 -9.210 18.112 0.921 1.00 0.00 N ATOM 520 CA GLU B 557 -8.188 18.693 1.783 1.00 0.00 C ATOM 521 C GLU B 557 -7.183 17.633 2.226 1.00 0.00 C ATOM 522 O GLU B 557 -6.091 17.955 2.691 1.00 0.00 O ATOM 523 CB GLU B 557 -8.832 19.343 3.009 1.00 0.00 C ATOM 524 CG GLU B 557 -8.012 20.478 3.598 1.00 0.00 C ATOM 525 CD GLU B 557 -8.513 20.915 4.961 1.00 0.00 C ATOM 526 OE1 GLU B 557 -8.616 20.054 5.859 1.00 0.00 O ATOM 527 OE2 GLU B 557 -8.803 22.118 5.128 1.00 0.00 O ATOM 0 H GLU B 557 -10.135 18.050 1.346 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.659 19.456 1.212 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.816 19.722 2.734 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.986 18.582 3.774 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -6.972 20.164 3.681 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -8.035 21.329 2.917 1.00 0.00 H new ATOM 534 N GLN B 558 -7.563 16.368 2.077 1.00 0.00 N ATOM 535 CA GLN B 558 -6.696 15.260 2.463 1.00 0.00 C ATOM 536 C GLN B 558 -5.391 15.290 1.674 1.00 0.00 C ATOM 537 O GLN B 558 -4.328 15.584 2.221 1.00 0.00 O ATOM 538 CB GLN B 558 -7.410 13.925 2.242 1.00 0.00 C ATOM 539 CG GLN B 558 -8.604 13.715 3.159 1.00 0.00 C ATOM 540 CD GLN B 558 -8.565 12.378 3.871 1.00 0.00 C ATOM 541 OE1 GLN B 558 -8.030 11.399 3.349 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.134 12.328 5.070 1.00 0.00 N ATOM 0 H GLN B 558 -8.464 16.085 1.692 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.461 15.367 3.522 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.744 13.868 1.206 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.699 13.113 2.393 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.634 14.515 3.898 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.522 13.785 2.576 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.566 13.163 5.465 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.139 11.454 5.596 1.00 0.00 H new ATOM 551 N LYS B 559 -5.479 14.982 0.384 1.00 0.00 N ATOM 552 CA LYS B 559 -4.306 14.973 -0.482 1.00 0.00 C ATOM 553 C LYS B 559 -3.585 16.316 -0.434 1.00 0.00 C ATOM 554 O LYS B 559 -2.368 16.383 -0.608 1.00 0.00 O ATOM 555 CB LYS B 559 -4.713 14.652 -1.922 1.00 0.00 C ATOM 556 CG LYS B 559 -5.799 15.565 -2.466 1.00 0.00 C ATOM 557 CD LYS B 559 -6.577 14.899 -3.588 1.00 0.00 C ATOM 558 CE LYS B 559 -5.690 14.624 -4.794 1.00 0.00 C ATOM 559 NZ LYS B 559 -5.298 13.190 -4.877 1.00 0.00 N ATOM 0 H LYS B 559 -6.351 14.735 -0.085 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.625 14.202 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.835 14.724 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.060 13.620 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.482 15.839 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.350 16.488 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -7.006 13.963 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -7.409 15.538 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -6.216 14.910 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -4.795 15.243 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -4.453 13.095 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -5.088 12.832 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -6.079 12.640 -5.289 1.00 0.00 H new ATOM 573 N GLN B 560 -4.342 17.382 -0.196 1.00 0.00 N ATOM 574 CA GLN B 560 -3.773 18.722 -0.125 1.00 0.00 C ATOM 575 C GLN B 560 -2.795 18.837 1.040 1.00 0.00 C ATOM 576 O GLN B 560 -1.597 19.035 0.839 1.00 0.00 O ATOM 577 CB GLN B 560 -4.884 19.764 0.022 1.00 0.00 C ATOM 578 CG GLN B 560 -4.456 21.170 -0.367 1.00 0.00 C ATOM 579 CD GLN B 560 -5.602 21.999 -0.911 1.00 0.00 C ATOM 580 OE1 GLN B 560 -6.671 21.473 -1.224 1.00 0.00 O ATOM 581 NE2 GLN B 560 -5.385 23.304 -1.027 1.00 0.00 N ATOM 0 H GLN B 560 -5.351 17.344 -0.049 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.230 18.908 -1.052 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.732 19.468 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -5.229 19.771 1.056 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -4.032 21.670 0.503 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -3.667 21.111 -1.117 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -4.484 23.697 -0.756 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -6.120 23.913 -1.387 1.00 0.00 H new ATOM 590 N MET B 561 -3.315 18.713 2.257 1.00 0.00 N ATOM 591 CA MET B 561 -2.486 18.802 3.453 1.00 0.00 C ATOM 592 C MET B 561 -1.411 17.721 3.452 1.00 0.00 C ATOM 593 O MET B 561 -0.224 18.011 3.608 1.00 0.00 O ATOM 594 CB MET B 561 -3.351 18.676 4.709 1.00 0.00 C ATOM 595 CG MET B 561 -4.481 19.691 4.773 1.00 0.00 C ATOM 596 SD MET B 561 -5.603 19.394 6.153 1.00 0.00 S ATOM 597 CE MET B 561 -6.495 17.958 5.562 1.00 0.00 C ATOM 0 H MET B 561 -4.305 18.551 2.440 1.00 0.00 H new ATOM 0 HA MET B 561 -1.996 19.776 3.453 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.773 17.672 4.750 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.719 18.793 5.589 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.060 20.693 4.861 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.043 19.662 3.840 1.00 0.00 H new ATOM 0 HE1 MET B 561 -6.866 17.385 6.412 1.00 0.00 H new ATOM 0 HE2 MET B 561 -7.335 18.279 4.946 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.827 17.334 4.968 1.00 0.00 H new ATOM 607 N LEU B 562 -1.832 16.473 3.275 1.00 0.00 N ATOM 608 CA LEU B 562 -0.905 15.348 3.253 1.00 0.00 C ATOM 609 C LEU B 562 0.237 15.602 2.274 1.00 0.00 C ATOM 610 O LEU B 562 1.405 15.633 2.661 1.00 0.00 O ATOM 611 CB LEU B 562 -1.641 14.062 2.873 1.00 0.00 C ATOM 612 CG LEU B 562 -0.811 12.778 2.909 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.669 11.600 3.345 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.186 12.509 1.548 1.00 0.00 C ATOM 0 H LEU B 562 -2.810 16.215 3.145 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.484 15.237 4.252 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.490 13.941 3.545 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.045 14.182 1.868 1.00 0.00 H new ATOM 0 HG LEU B 562 -0.009 12.907 3.636 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -1.062 10.695 3.365 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -2.069 11.790 4.341 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.492 11.469 2.642 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.401 11.592 1.592 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.973 12.401 0.801 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.462 13.342 1.274 1.00 0.00 H new ATOM 626 N GLY B 563 -0.109 15.786 1.004 1.00 0.00 N ATOM 627 CA GLY B 563 0.898 16.037 -0.011 1.00 0.00 C ATOM 628 C GLY B 563 1.705 17.288 0.272 1.00 0.00 C ATOM 629 O GLY B 563 2.883 17.366 -0.077 1.00 0.00 O ATOM 0 H GLY B 563 -1.069 15.766 0.659 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.570 15.181 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.414 16.132 -0.983 1.00 0.00 H new ATOM 633 N GLU B 564 1.070 18.271 0.903 1.00 0.00 N ATOM 634 CA GLU B 564 1.738 19.525 1.229 1.00 0.00 C ATOM 635 C GLU B 564 2.827 19.306 2.275 1.00 0.00 C ATOM 636 O GLU B 564 3.928 19.846 2.163 1.00 0.00 O ATOM 637 CB GLU B 564 0.724 20.551 1.740 1.00 0.00 C ATOM 638 CG GLU B 564 0.086 21.378 0.637 1.00 0.00 C ATOM 639 CD GLU B 564 -1.238 21.988 1.056 1.00 0.00 C ATOM 640 OE1 GLU B 564 -1.561 21.932 2.261 1.00 0.00 O ATOM 641 OE2 GLU B 564 -1.950 22.522 0.180 1.00 0.00 O ATOM 0 H GLU B 564 0.095 18.223 1.198 1.00 0.00 H new ATOM 0 HA GLU B 564 2.203 19.906 0.320 1.00 0.00 H new ATOM 0 HB2 GLU B 564 -0.059 20.031 2.292 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.220 21.220 2.443 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.771 22.173 0.342 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.069 20.749 -0.240 1.00 0.00 H new ATOM 648 N ARG B 565 2.511 18.511 3.292 1.00 0.00 N ATOM 649 CA ARG B 565 3.462 18.221 4.359 1.00 0.00 C ATOM 650 C ARG B 565 4.504 17.206 3.899 1.00 0.00 C ATOM 651 O ARG B 565 5.664 17.262 4.309 1.00 0.00 O ATOM 652 CB ARG B 565 2.729 17.692 5.593 1.00 0.00 C ATOM 653 CG ARG B 565 2.261 18.785 6.540 1.00 0.00 C ATOM 654 CD ARG B 565 0.917 19.353 6.114 1.00 0.00 C ATOM 655 NE ARG B 565 0.512 20.483 6.946 1.00 0.00 N ATOM 656 CZ ARG B 565 -0.386 21.388 6.570 1.00 0.00 C ATOM 657 NH1 ARG B 565 -0.969 21.295 5.383 1.00 0.00 N ATOM 658 NH2 ARG B 565 -0.702 22.388 7.383 1.00 0.00 N ATOM 0 H ARG B 565 1.604 18.056 3.400 1.00 0.00 H new ATOM 0 HA ARG B 565 3.974 19.148 4.617 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.866 17.109 5.270 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.389 17.013 6.133 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.184 18.384 7.551 1.00 0.00 H new ATOM 0 HG3 ARG B 565 3.002 19.584 6.570 1.00 0.00 H new ATOM 0 HD2 ARG B 565 0.971 19.671 5.073 1.00 0.00 H new ATOM 0 HD3 ARG B 565 0.159 18.572 6.170 1.00 0.00 H new ATOM 0 HE ARG B 565 0.942 20.583 7.866 1.00 0.00 H new ATOM 0 HH11 ARG B 565 -0.729 20.527 4.756 1.00 0.00 H new ATOM 0 HH12 ARG B 565 -1.658 21.991 5.097 1.00 0.00 H new ATOM 0 HH21 ARG B 565 -0.256 22.463 8.297 1.00 0.00 H new ATOM 0 HH22 ARG B 565 -1.391 23.082 7.094 1.00 0.00 H new ATOM 672 N LEU B 566 4.083 16.280 3.045 1.00 0.00 N ATOM 673 CA LEU B 566 4.980 15.252 2.528 1.00 0.00 C ATOM 674 C LEU B 566 5.911 15.825 1.465 1.00 0.00 C ATOM 675 O LEU B 566 7.014 15.322 1.254 1.00 0.00 O ATOM 676 CB LEU B 566 4.173 14.091 1.944 1.00 0.00 C ATOM 677 CG LEU B 566 4.118 12.819 2.790 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.817 12.757 3.576 1.00 0.00 C ATOM 679 CD2 LEU B 566 4.271 11.586 1.911 1.00 0.00 C ATOM 0 H LEU B 566 3.127 16.220 2.696 1.00 0.00 H new ATOM 0 HA LEU B 566 5.587 14.885 3.355 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.153 14.434 1.773 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.592 13.838 0.970 1.00 0.00 H new ATOM 0 HG LEU B 566 4.946 12.841 3.498 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.795 11.845 4.172 1.00 0.00 H new ATOM 0 HD12 LEU B 566 2.748 13.623 4.235 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.974 12.759 2.885 1.00 0.00 H new ATOM 0 HD21 LEU B 566 4.229 10.690 2.530 1.00 0.00 H new ATOM 0 HD22 LEU B 566 3.464 11.559 1.179 1.00 0.00 H new ATOM 0 HD23 LEU B 566 5.229 11.625 1.393 1.00 0.00 H new ATOM 691 N PHE B 567 5.459 16.882 0.798 1.00 0.00 N ATOM 692 CA PHE B 567 6.252 17.525 -0.243 1.00 0.00 C ATOM 693 C PHE B 567 7.675 17.786 0.240 1.00 0.00 C ATOM 694 O PHE B 567 8.653 17.325 -0.350 1.00 0.00 O ATOM 695 CB PHE B 567 5.598 18.841 -0.673 1.00 0.00 C ATOM 696 CG PHE B 567 6.574 19.846 -1.215 1.00 0.00 C ATOM 697 CD1 PHE B 567 7.413 19.519 -2.267 1.00 0.00 C ATOM 698 CD2 PHE B 567 6.651 21.118 -0.672 1.00 0.00 C ATOM 699 CE1 PHE B 567 8.312 20.442 -2.767 1.00 0.00 C ATOM 700 CE2 PHE B 567 7.548 22.046 -1.168 1.00 0.00 C ATOM 701 CZ PHE B 567 8.379 21.707 -2.218 1.00 0.00 C ATOM 0 H PHE B 567 4.548 17.311 0.960 1.00 0.00 H new ATOM 0 HA PHE B 567 6.295 16.852 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.845 18.632 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE B 567 5.078 19.275 0.181 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.364 18.532 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE B 567 6.003 21.388 0.148 1.00 0.00 H new ATOM 0 HE1 PHE B 567 8.962 20.174 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE B 567 7.599 23.034 -0.735 1.00 0.00 H new ATOM 0 HZ PHE B 567 9.080 22.430 -2.609 1.00 0.00 H new ATOM 711 N PRO B 568 7.797 18.544 1.340 1.00 0.00 N ATOM 712 CA PRO B 568 9.096 18.884 1.928 1.00 0.00 C ATOM 713 C PRO B 568 9.777 17.678 2.565 1.00 0.00 C ATOM 714 O PRO B 568 10.985 17.486 2.421 1.00 0.00 O ATOM 715 CB PRO B 568 8.741 19.923 2.995 1.00 0.00 C ATOM 716 CG PRO B 568 7.326 19.630 3.354 1.00 0.00 C ATOM 717 CD PRO B 568 6.675 19.127 2.095 1.00 0.00 C ATOM 0 HA PRO B 568 9.801 19.245 1.179 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.395 19.838 3.863 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.850 20.937 2.611 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.271 18.884 4.147 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.824 20.524 3.723 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.906 18.385 2.309 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.194 19.933 1.541 1.00 0.00 H new ATOM 725 N LEU B 569 8.996 16.866 3.270 1.00 0.00 N ATOM 726 CA LEU B 569 9.524 15.677 3.929 1.00 0.00 C ATOM 727 C LEU B 569 10.329 14.825 2.952 1.00 0.00 C ATOM 728 O LEU B 569 11.339 14.226 3.323 1.00 0.00 O ATOM 729 CB LEU B 569 8.383 14.850 4.523 1.00 0.00 C ATOM 730 CG LEU B 569 8.748 13.959 5.711 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.723 12.873 5.284 1.00 0.00 C ATOM 732 CD2 LEU B 569 9.336 14.791 6.841 1.00 0.00 C ATOM 0 H LEU B 569 7.995 17.010 3.400 1.00 0.00 H new ATOM 0 HA LEU B 569 10.186 16.001 4.732 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.591 15.531 4.835 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.969 14.220 3.736 1.00 0.00 H new ATOM 0 HG LEU B 569 7.839 13.480 6.074 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.971 12.249 6.142 1.00 0.00 H new ATOM 0 HD12 LEU B 569 9.266 12.258 4.508 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.632 13.332 4.895 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.590 14.140 7.678 1.00 0.00 H new ATOM 0 HD22 LEU B 569 10.235 15.298 6.490 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.605 15.532 7.166 1.00 0.00 H new ATOM 744 N ILE B 570 9.877 14.779 1.704 1.00 0.00 N ATOM 745 CA ILE B 570 10.557 14.004 0.674 1.00 0.00 C ATOM 746 C ILE B 570 11.826 14.707 0.204 1.00 0.00 C ATOM 747 O ILE B 570 12.816 14.060 -0.135 1.00 0.00 O ATOM 748 CB ILE B 570 9.642 13.755 -0.540 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.468 12.857 -0.146 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.433 13.132 -1.681 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.414 12.733 -1.224 1.00 0.00 C ATOM 0 H ILE B 570 9.043 15.269 1.381 1.00 0.00 H new ATOM 0 HA ILE B 570 10.820 13.046 1.123 1.00 0.00 H new ATOM 0 HB ILE B 570 9.245 14.712 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.846 11.864 0.097 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.006 13.252 0.759 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.773 12.962 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.238 13.805 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.856 12.182 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.612 12.082 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE B 570 7.008 13.719 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.861 12.309 -2.123 1.00 0.00 H new ATOM 763 N GLN B 571 11.788 16.036 0.189 1.00 0.00 N ATOM 764 CA GLN B 571 12.936 16.827 -0.237 1.00 0.00 C ATOM 765 C GLN B 571 14.167 16.498 0.601 1.00 0.00 C ATOM 766 O GLN B 571 15.298 16.739 0.182 1.00 0.00 O ATOM 767 CB GLN B 571 12.620 18.320 -0.134 1.00 0.00 C ATOM 768 CG GLN B 571 11.531 18.779 -1.091 1.00 0.00 C ATOM 769 CD GLN B 571 11.336 20.282 -1.076 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.208 20.913 -2.126 1.00 0.00 O ATOM 771 NE2 GLN B 571 11.312 20.864 0.117 1.00 0.00 N ATOM 0 H GLN B 571 10.975 16.587 0.467 1.00 0.00 H new ATOM 0 HA GLN B 571 13.150 16.578 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.315 18.549 0.887 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.528 18.890 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN B 571 11.783 18.459 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.592 18.292 -0.827 1.00 0.00 H new ATOM 0 HE21 GLN B 571 11.422 20.302 0.961 1.00 0.00 H new ATOM 0 HE22 GLN B 571 11.183 21.873 0.190 1.00 0.00 H new ATOM 780 N ALA B 572 13.937 15.945 1.788 1.00 0.00 N ATOM 781 CA ALA B 572 15.028 15.581 2.684 1.00 0.00 C ATOM 782 C ALA B 572 16.076 14.742 1.962 1.00 0.00 C ATOM 783 O ALA B 572 17.264 14.811 2.275 1.00 0.00 O ATOM 784 CB ALA B 572 14.488 14.829 3.892 1.00 0.00 C ATOM 0 H ALA B 572 13.006 15.740 2.151 1.00 0.00 H new ATOM 0 HA ALA B 572 15.508 16.499 3.024 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.313 14.563 4.553 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.782 15.462 4.429 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.982 13.922 3.560 1.00 0.00 H new ATOM 790 N MET B 573 15.628 13.950 0.993 1.00 0.00 N ATOM 791 CA MET B 573 16.529 13.098 0.225 1.00 0.00 C ATOM 792 C MET B 573 16.470 13.442 -1.260 1.00 0.00 C ATOM 793 O MET B 573 17.481 13.391 -1.960 1.00 0.00 O ATOM 794 CB MET B 573 16.174 11.625 0.434 1.00 0.00 C ATOM 795 CG MET B 573 14.719 11.302 0.131 1.00 0.00 C ATOM 796 SD MET B 573 13.924 10.372 1.455 1.00 0.00 S ATOM 797 CE MET B 573 12.749 11.581 2.059 1.00 0.00 C ATOM 0 H MET B 573 14.647 13.880 0.721 1.00 0.00 H new ATOM 0 HA MET B 573 17.545 13.273 0.580 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.814 11.012 -0.201 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.392 11.350 1.466 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.172 12.230 -0.035 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.663 10.729 -0.795 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.707 11.535 3.147 1.00 0.00 H new ATOM 0 HE2 MET B 573 13.062 12.578 1.750 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.762 11.366 1.648 1.00 0.00 H new ATOM 807 N HIS B 574 15.278 13.793 -1.734 1.00 0.00 N ATOM 808 CA HIS B 574 15.088 14.146 -3.136 1.00 0.00 C ATOM 809 C HIS B 574 14.376 15.489 -3.266 1.00 0.00 C ATOM 810 O HIS B 574 13.189 15.563 -3.582 1.00 0.00 O ATOM 811 CB HIS B 574 14.285 13.059 -3.853 1.00 0.00 C ATOM 812 CG HIS B 574 15.138 12.003 -4.484 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.316 10.751 -3.933 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.864 12.016 -5.627 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.115 10.041 -4.709 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.461 10.785 -5.744 1.00 0.00 N ATOM 0 H HIS B 574 14.431 13.840 -1.168 1.00 0.00 H new ATOM 0 HA HIS B 574 16.070 14.228 -3.601 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.608 12.589 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.667 13.523 -4.622 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.956 12.841 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.432 9.024 -4.528 1.00 0.00 H new ATOM 0 HE2 HIS B 574 17.072 10.493 -6.506 1.00 0.00 H new ATOM 824 N PRO B 575 15.118 16.579 -3.017 1.00 0.00 N ATOM 825 CA PRO B 575 14.579 17.939 -3.100 1.00 0.00 C ATOM 826 C PRO B 575 14.274 18.356 -4.535 1.00 0.00 C ATOM 827 O PRO B 575 13.683 19.409 -4.775 1.00 0.00 O ATOM 828 CB PRO B 575 15.703 18.802 -2.521 1.00 0.00 C ATOM 829 CG PRO B 575 16.944 18.010 -2.749 1.00 0.00 C ATOM 830 CD PRO B 575 16.541 16.566 -2.636 1.00 0.00 C ATOM 0 HA PRO B 575 13.632 18.035 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.755 19.771 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.547 18.996 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.367 18.221 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.708 18.261 -2.013 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.129 15.931 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.683 16.187 -1.624 1.00 0.00 H new ATOM 838 N THR B 576 14.679 17.522 -5.487 1.00 0.00 N ATOM 839 CA THR B 576 14.449 17.803 -6.898 1.00 0.00 C ATOM 840 C THR B 576 13.247 17.028 -7.425 1.00 0.00 C ATOM 841 O THR B 576 12.355 17.599 -8.054 1.00 0.00 O ATOM 842 CB THR B 576 15.684 17.453 -7.750 1.00 0.00 C ATOM 843 OG1 THR B 576 16.332 16.291 -7.219 1.00 0.00 O ATOM 844 CG2 THR B 576 16.665 18.615 -7.784 1.00 0.00 C ATOM 0 H THR B 576 15.168 16.646 -5.306 1.00 0.00 H new ATOM 0 HA THR B 576 14.252 18.872 -6.978 1.00 0.00 H new ATOM 0 HB THR B 576 15.350 17.250 -8.768 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.115 16.074 -7.767 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.529 18.344 -8.391 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.178 19.490 -8.215 1.00 0.00 H new ATOM 0 HG23 THR B 576 16.992 18.845 -6.770 1.00 0.00 H new ATOM 852 N LEU B 577 13.228 15.726 -7.164 1.00 0.00 N ATOM 853 CA LEU B 577 12.133 14.872 -7.612 1.00 0.00 C ATOM 854 C LEU B 577 11.041 14.786 -6.550 1.00 0.00 C ATOM 855 O LEU B 577 10.152 13.939 -6.628 1.00 0.00 O ATOM 856 CB LEU B 577 12.654 13.471 -7.939 1.00 0.00 C ATOM 857 CG LEU B 577 13.626 13.375 -9.115 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.102 14.160 -10.307 1.00 0.00 C ATOM 859 CD2 LEU B 577 15.005 13.875 -8.709 1.00 0.00 C ATOM 0 H LEU B 577 13.958 15.238 -6.645 1.00 0.00 H new ATOM 0 HA LEU B 577 11.705 15.313 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.147 13.072 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.800 12.826 -8.146 1.00 0.00 H new ATOM 0 HG LEU B 577 13.712 12.328 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.807 14.080 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.137 13.756 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU B 577 12.986 15.208 -10.030 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.684 13.799 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.936 14.915 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.384 13.269 -7.886 1.00 0.00 H new ATOM 871 N ALA B 578 11.114 15.669 -5.560 1.00 0.00 N ATOM 872 CA ALA B 578 10.130 15.695 -4.486 1.00 0.00 C ATOM 873 C ALA B 578 8.712 15.762 -5.042 1.00 0.00 C ATOM 874 O ALA B 578 7.864 14.935 -4.707 1.00 0.00 O ATOM 875 CB ALA B 578 10.391 16.874 -3.559 1.00 0.00 C ATOM 0 H ALA B 578 11.845 16.376 -5.480 1.00 0.00 H new ATOM 0 HA ALA B 578 10.226 14.770 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.648 16.881 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.387 16.783 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.325 17.803 -4.125 1.00 0.00 H new ATOM 881 N GLY B 579 8.460 16.751 -5.894 1.00 0.00 N ATOM 882 CA GLY B 579 7.143 16.907 -6.482 1.00 0.00 C ATOM 883 C GLY B 579 6.628 15.622 -7.099 1.00 0.00 C ATOM 884 O GLY B 579 5.502 15.203 -6.832 1.00 0.00 O ATOM 0 H GLY B 579 9.145 17.447 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.444 17.244 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.179 17.684 -7.245 1.00 0.00 H new ATOM 888 N LYS B 580 7.453 14.995 -7.930 1.00 0.00 N ATOM 889 CA LYS B 580 7.076 13.750 -8.589 1.00 0.00 C ATOM 890 C LYS B 580 6.850 12.640 -7.567 1.00 0.00 C ATOM 891 O LYS B 580 5.848 11.927 -7.624 1.00 0.00 O ATOM 892 CB LYS B 580 8.159 13.328 -9.585 1.00 0.00 C ATOM 893 CG LYS B 580 8.502 14.402 -10.603 1.00 0.00 C ATOM 894 CD LYS B 580 7.350 14.647 -11.564 1.00 0.00 C ATOM 895 CE LYS B 580 7.329 13.617 -12.682 1.00 0.00 C ATOM 896 NZ LYS B 580 8.417 13.850 -13.672 1.00 0.00 N ATOM 0 H LYS B 580 8.388 15.329 -8.163 1.00 0.00 H new ATOM 0 HA LYS B 580 6.143 13.920 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.061 13.059 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.828 12.433 -10.111 1.00 0.00 H new ATOM 0 HG2 LYS B 580 8.749 15.329 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS B 580 9.388 14.104 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS B 580 6.407 14.613 -11.019 1.00 0.00 H new ATOM 0 HD3 LYS B 580 7.436 15.647 -11.990 1.00 0.00 H new ATOM 0 HE2 LYS B 580 7.432 12.618 -12.258 1.00 0.00 H new ATOM 0 HE3 LYS B 580 6.364 13.650 -13.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 8.233 13.290 -14.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 8.451 14.860 -13.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 9.328 13.564 -13.260 1.00 0.00 H new ATOM 910 N ILE B 581 7.785 12.502 -6.634 1.00 0.00 N ATOM 911 CA ILE B 581 7.686 11.481 -5.598 1.00 0.00 C ATOM 912 C ILE B 581 6.388 11.624 -4.809 1.00 0.00 C ATOM 913 O ILE B 581 5.562 10.711 -4.780 1.00 0.00 O ATOM 914 CB ILE B 581 8.876 11.549 -4.624 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.191 11.325 -5.374 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.712 10.522 -3.514 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.365 12.064 -4.770 1.00 0.00 C ATOM 0 H ILE B 581 8.620 13.084 -6.574 1.00 0.00 H new ATOM 0 HA ILE B 581 7.697 10.516 -6.104 1.00 0.00 H new ATOM 0 HB ILE B 581 8.901 12.541 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.413 10.258 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.067 11.641 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.561 10.583 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.792 10.723 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.665 9.523 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.263 11.859 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.164 13.135 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.515 11.731 -3.743 1.00 0.00 H new ATOM 929 N THR B 582 6.215 12.776 -4.170 1.00 0.00 N ATOM 930 CA THR B 582 5.018 13.040 -3.380 1.00 0.00 C ATOM 931 C THR B 582 3.758 12.888 -4.225 1.00 0.00 C ATOM 932 O THR B 582 2.717 12.455 -3.732 1.00 0.00 O ATOM 933 CB THR B 582 5.047 14.454 -2.771 1.00 0.00 C ATOM 934 OG1 THR B 582 4.018 14.583 -1.783 1.00 0.00 O ATOM 935 CG2 THR B 582 4.858 15.511 -3.849 1.00 0.00 C ATOM 0 H THR B 582 6.889 13.542 -4.184 1.00 0.00 H new ATOM 0 HA THR B 582 5.003 12.306 -2.574 1.00 0.00 H new ATOM 0 HB THR B 582 6.020 14.605 -2.303 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.044 15.484 -1.399 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.882 16.502 -3.395 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.659 15.429 -4.584 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.897 15.361 -4.341 1.00 0.00 H new ATOM 943 N GLY B 583 3.859 13.247 -5.501 1.00 0.00 N ATOM 944 CA GLY B 583 2.720 13.142 -6.394 1.00 0.00 C ATOM 945 C GLY B 583 2.223 11.717 -6.535 1.00 0.00 C ATOM 946 O GLY B 583 1.070 11.422 -6.225 1.00 0.00 O ATOM 0 H GLY B 583 4.710 13.609 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.911 13.770 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.996 13.526 -7.376 1.00 0.00 H new ATOM 950 N MET B 584 3.095 10.832 -7.006 1.00 0.00 N ATOM 951 CA MET B 584 2.738 9.430 -7.189 1.00 0.00 C ATOM 952 C MET B 584 2.375 8.784 -5.855 1.00 0.00 C ATOM 953 O MET B 584 1.368 8.082 -5.747 1.00 0.00 O ATOM 954 CB MET B 584 3.893 8.667 -7.841 1.00 0.00 C ATOM 955 CG MET B 584 4.356 9.275 -9.155 1.00 0.00 C ATOM 956 SD MET B 584 5.941 8.613 -9.705 1.00 0.00 S ATOM 957 CE MET B 584 7.044 9.312 -8.479 1.00 0.00 C ATOM 0 H MET B 584 4.054 11.061 -7.268 1.00 0.00 H new ATOM 0 HA MET B 584 1.868 9.385 -7.844 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.734 8.635 -7.148 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.585 7.636 -8.015 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.604 9.090 -9.922 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.437 10.356 -9.042 1.00 0.00 H new ATOM 0 HE1 MET B 584 8.009 8.807 -8.527 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.181 10.375 -8.677 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.614 9.180 -7.486 1.00 0.00 H new ATOM 967 N LEU B 585 3.201 9.024 -4.843 1.00 0.00 N ATOM 968 CA LEU B 585 2.967 8.465 -3.516 1.00 0.00 C ATOM 969 C LEU B 585 1.622 8.924 -2.961 1.00 0.00 C ATOM 970 O LEU B 585 0.988 8.217 -2.176 1.00 0.00 O ATOM 971 CB LEU B 585 4.091 8.873 -2.563 1.00 0.00 C ATOM 972 CG LEU B 585 5.290 7.927 -2.495 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.804 7.614 -3.892 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.397 8.529 -1.640 1.00 0.00 C ATOM 0 H LEU B 585 4.039 9.602 -4.916 1.00 0.00 H new ATOM 0 HA LEU B 585 2.951 7.379 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.449 9.860 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.673 8.970 -1.561 1.00 0.00 H new ATOM 0 HG LEU B 585 4.966 6.995 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.657 6.939 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.013 7.140 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.111 8.538 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.242 7.842 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.718 9.476 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.024 8.701 -0.630 1.00 0.00 H new ATOM 986 N LEU B 586 1.192 10.111 -3.374 1.00 0.00 N ATOM 987 CA LEU B 586 -0.079 10.664 -2.920 1.00 0.00 C ATOM 988 C LEU B 586 -1.242 10.083 -3.717 1.00 0.00 C ATOM 989 O LEU B 586 -2.387 10.106 -3.268 1.00 0.00 O ATOM 990 CB LEU B 586 -0.069 12.189 -3.048 1.00 0.00 C ATOM 991 CG LEU B 586 -1.362 12.904 -2.655 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.059 14.288 -2.103 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.304 12.997 -3.846 1.00 0.00 C ATOM 0 H LEU B 586 1.705 10.709 -4.022 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.211 10.394 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.741 12.580 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.165 12.445 -4.081 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.853 12.323 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -1.991 14.782 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.423 14.197 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.545 14.878 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.219 13.509 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.822 13.555 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.547 11.994 -4.197 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.938 9.560 -4.901 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.959 8.972 -5.760 1.00 0.00 C ATOM 1007 C GLU B 587 -2.341 7.576 -5.274 1.00 0.00 C ATOM 1008 O GLU B 587 -3.509 7.302 -4.997 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.463 8.902 -7.206 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.577 8.978 -8.236 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.972 7.614 -8.770 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -2.073 6.769 -8.963 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -4.180 7.393 -8.994 1.00 0.00 O ATOM 0 H GLU B 587 0.006 9.532 -5.287 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.843 9.608 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -0.762 9.718 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.912 7.972 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.449 9.455 -7.788 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -2.258 9.610 -9.065 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.348 6.699 -5.174 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.578 5.333 -4.721 1.00 0.00 C ATOM 1022 C ILE B 588 -2.695 5.279 -3.684 1.00 0.00 C ATOM 1023 O ILE B 588 -3.734 4.658 -3.907 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.302 4.717 -4.119 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.636 5.818 -3.620 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.399 3.841 -5.147 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.609 5.348 -2.561 1.00 0.00 C ATOM 0 H ILE B 588 -0.376 6.910 -5.401 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.871 4.755 -5.597 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.583 4.093 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.196 6.218 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.040 6.637 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.299 3.413 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.270 3.039 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.671 4.443 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.242 6.180 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.056 4.975 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.230 4.550 -2.966 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.473 5.935 -2.550 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.461 5.964 -1.478 1.00 0.00 C ATOM 1041 C ASP B 589 -2.910 6.681 -0.250 1.00 0.00 C ATOM 1042 O ASP B 589 -1.974 6.205 0.392 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.884 4.542 -1.106 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.348 4.278 -1.399 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.177 5.175 -1.138 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.665 3.175 -1.891 1.00 0.00 O ATOM 0 H ASP B 589 -1.618 6.454 -2.350 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.332 6.512 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.272 3.828 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.693 4.375 -0.046 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.495 7.831 0.070 1.00 0.00 N ATOM 1052 CA ASN B 590 -3.061 8.615 1.221 1.00 0.00 C ATOM 1053 C ASN B 590 -3.042 7.762 2.485 1.00 0.00 C ATOM 1054 O ASN B 590 -2.081 7.793 3.253 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.982 9.821 1.419 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.787 10.879 0.351 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.765 10.905 -0.334 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.770 11.760 0.205 1.00 0.00 N ATOM 0 H ASN B 590 -4.270 8.240 -0.451 1.00 0.00 H new ATOM 0 HA ASN B 590 -2.048 8.968 1.028 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -5.020 9.487 1.411 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.796 10.260 2.399 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.695 12.496 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.600 11.701 0.795 1.00 0.00 H new ATOM 1065 N SER B 591 -4.111 7.000 2.694 1.00 0.00 N ATOM 1066 CA SER B 591 -4.219 6.140 3.867 1.00 0.00 C ATOM 1067 C SER B 591 -2.965 5.288 4.033 1.00 0.00 C ATOM 1068 O SER B 591 -2.431 5.159 5.134 1.00 0.00 O ATOM 1069 CB SER B 591 -5.450 5.239 3.753 1.00 0.00 C ATOM 1070 OG SER B 591 -6.015 4.984 5.028 1.00 0.00 O ATOM 0 H SER B 591 -4.914 6.961 2.067 1.00 0.00 H new ATOM 0 HA SER B 591 -4.323 6.777 4.746 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.193 5.712 3.111 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.173 4.297 3.280 1.00 0.00 H new ATOM 0 HG SER B 591 -6.801 4.408 4.928 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.501 4.707 2.931 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.310 3.866 2.954 1.00 0.00 C ATOM 1078 C GLU B 592 -0.094 4.658 3.425 1.00 0.00 C ATOM 1079 O GLU B 592 0.733 4.155 4.187 1.00 0.00 O ATOM 1080 CB GLU B 592 -1.045 3.281 1.565 1.00 0.00 C ATOM 1081 CG GLU B 592 0.098 2.280 1.535 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.324 0.899 1.999 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.544 0.645 2.076 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.567 0.072 2.286 1.00 0.00 O ATOM 0 H GLU B 592 -2.932 4.803 2.011 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.485 3.051 3.656 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.952 2.795 1.205 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.823 4.094 0.874 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.492 2.214 0.521 1.00 0.00 H new ATOM 0 HG3 GLU B 592 0.908 2.640 2.169 1.00 0.00 H new ATOM 1091 N LEU B 593 0.010 5.901 2.966 1.00 0.00 N ATOM 1092 CA LEU B 593 1.125 6.764 3.339 1.00 0.00 C ATOM 1093 C LEU B 593 1.121 7.041 4.838 1.00 0.00 C ATOM 1094 O LEU B 593 2.175 7.102 5.473 1.00 0.00 O ATOM 1095 CB LEU B 593 1.058 8.081 2.564 1.00 0.00 C ATOM 1096 CG LEU B 593 0.515 7.994 1.137 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.624 9.341 0.441 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.257 6.923 0.349 1.00 0.00 C ATOM 0 H LEU B 593 -0.665 6.333 2.335 1.00 0.00 H new ATOM 0 HA LEU B 593 2.052 6.249 3.087 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.437 8.779 3.126 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.060 8.507 2.524 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.538 7.718 1.186 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.233 9.259 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.048 10.084 0.993 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.669 9.647 0.403 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.858 6.875 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.318 7.170 0.310 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.127 5.957 0.837 1.00 0.00 H new ATOM 1110 N LEU B 594 -0.071 7.208 5.400 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.213 7.477 6.827 1.00 0.00 C ATOM 1112 C LEU B 594 0.278 6.295 7.656 1.00 0.00 C ATOM 1113 O LEU B 594 0.507 6.419 8.860 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.674 7.780 7.166 1.00 0.00 C ATOM 1115 CG LEU B 594 -2.097 9.246 7.065 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.597 9.385 7.275 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.334 10.091 8.075 1.00 0.00 C ATOM 0 H LEU B 594 -0.953 7.162 4.890 1.00 0.00 H new ATOM 0 HA LEU B 594 0.398 8.346 7.070 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.309 7.193 6.503 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.869 7.436 8.182 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.857 9.606 6.065 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.879 10.435 7.200 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.126 8.812 6.514 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.863 9.008 8.263 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.647 11.131 7.989 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.543 9.731 9.082 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.265 10.017 7.878 1.00 0.00 H new ATOM 1129 N HIS B 595 0.442 5.149 7.003 1.00 0.00 N ATOM 1130 CA HIS B 595 0.910 3.944 7.680 1.00 0.00 C ATOM 1131 C HIS B 595 2.322 3.582 7.230 1.00 0.00 C ATOM 1132 O HIS B 595 3.015 2.808 7.890 1.00 0.00 O ATOM 1133 CB HIS B 595 -0.040 2.778 7.404 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.129 1.798 8.534 1.00 0.00 C ATOM 1135 ND1 HIS B 595 -0.799 2.064 9.710 1.00 0.00 N ATOM 1136 CD2 HIS B 595 0.372 0.547 8.663 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -0.706 1.020 10.513 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.001 0.085 9.902 1.00 0.00 N ATOM 0 H HIS B 595 0.258 5.029 6.007 1.00 0.00 H new ATOM 0 HA HIS B 595 0.929 4.143 8.752 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -1.035 3.172 7.196 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.290 2.256 6.506 1.00 0.00 H new ATOM 0 HD2 HIS B 595 0.956 0.012 7.929 1.00 0.00 H new ATOM 0 HE1 HIS B 595 -1.134 0.944 11.502 1.00 0.00 H new ATOM 0 HE2 HIS B 595 0.229 -0.831 10.287 1.00 0.00 H new ATOM 1146 N MET B 596 2.742 4.148 6.103 1.00 0.00 N ATOM 1147 CA MET B 596 4.072 3.885 5.566 1.00 0.00 C ATOM 1148 C MET B 596 5.077 4.913 6.075 1.00 0.00 C ATOM 1149 O MET B 596 6.245 4.594 6.303 1.00 0.00 O ATOM 1150 CB MET B 596 4.040 3.900 4.036 1.00 0.00 C ATOM 1151 CG MET B 596 3.422 2.652 3.429 1.00 0.00 C ATOM 1152 SD MET B 596 3.633 2.572 1.640 1.00 0.00 S ATOM 1153 CE MET B 596 3.253 4.260 1.178 1.00 0.00 C ATOM 0 H MET B 596 2.181 4.791 5.544 1.00 0.00 H new ATOM 0 HA MET B 596 4.385 2.898 5.906 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.479 4.773 3.701 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.057 4.011 3.661 1.00 0.00 H new ATOM 0 HG2 MET B 596 3.873 1.770 3.884 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.359 2.625 3.667 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.166 4.330 0.094 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.311 4.560 1.638 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.050 4.919 1.521 1.00 0.00 H new ATOM 1163 N LEU B 597 4.617 6.146 6.253 1.00 0.00 N ATOM 1164 CA LEU B 597 5.476 7.221 6.736 1.00 0.00 C ATOM 1165 C LEU B 597 5.950 6.942 8.158 1.00 0.00 C ATOM 1166 O LEU B 597 6.859 7.603 8.660 1.00 0.00 O ATOM 1167 CB LEU B 597 4.732 8.557 6.687 1.00 0.00 C ATOM 1168 CG LEU B 597 3.924 8.921 7.933 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.072 7.743 8.380 1.00 0.00 C ATOM 1170 CD2 LEU B 597 4.849 9.369 9.056 1.00 0.00 C ATOM 0 H LEU B 597 3.654 6.426 6.070 1.00 0.00 H new ATOM 0 HA LEU B 597 6.349 7.275 6.086 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.459 9.349 6.506 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.057 8.543 5.832 1.00 0.00 H new ATOM 0 HG LEU B 597 3.260 9.749 7.683 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.504 8.021 9.268 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.384 7.468 7.581 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.717 6.895 8.612 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.257 9.624 9.935 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.538 8.561 9.304 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.416 10.243 8.734 1.00 0.00 H new ATOM 1182 N GLU B 598 5.330 5.958 8.801 1.00 0.00 N ATOM 1183 CA GLU B 598 5.691 5.591 10.165 1.00 0.00 C ATOM 1184 C GLU B 598 6.706 4.452 10.172 1.00 0.00 C ATOM 1185 O GLU B 598 6.733 3.635 11.093 1.00 0.00 O ATOM 1186 CB GLU B 598 4.444 5.182 10.953 1.00 0.00 C ATOM 1187 CG GLU B 598 3.774 3.926 10.423 1.00 0.00 C ATOM 1188 CD GLU B 598 3.125 3.104 11.520 1.00 0.00 C ATOM 1189 OE1 GLU B 598 2.045 3.505 12.003 1.00 0.00 O ATOM 1190 OE2 GLU B 598 3.697 2.059 11.894 1.00 0.00 O ATOM 0 H GLU B 598 4.576 5.401 8.400 1.00 0.00 H new ATOM 0 HA GLU B 598 6.144 6.461 10.640 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.719 5.024 11.996 1.00 0.00 H new ATOM 0 HB3 GLU B 598 3.727 6.002 10.933 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.019 4.204 9.688 1.00 0.00 H new ATOM 0 HG3 GLU B 598 4.513 3.315 9.905 1.00 0.00 H new ATOM 1197 N SER B 599 7.540 4.404 9.139 1.00 0.00 N ATOM 1198 CA SER B 599 8.555 3.364 9.022 1.00 0.00 C ATOM 1199 C SER B 599 9.707 3.825 8.135 1.00 0.00 C ATOM 1200 O SER B 599 9.510 4.444 7.089 1.00 0.00 O ATOM 1201 CB SER B 599 7.941 2.083 8.454 1.00 0.00 C ATOM 1202 OG SER B 599 7.889 1.063 9.437 1.00 0.00 O ATOM 0 H SER B 599 7.533 5.074 8.370 1.00 0.00 H new ATOM 0 HA SER B 599 8.946 3.160 10.019 1.00 0.00 H new ATOM 0 HB2 SER B 599 6.936 2.290 8.086 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.528 1.741 7.602 1.00 0.00 H new ATOM 0 HG SER B 599 7.491 0.255 9.050 1.00 0.00 H new ATOM 1208 N PRO B 600 10.941 3.518 8.561 1.00 0.00 N ATOM 1209 CA PRO B 600 12.151 3.890 7.821 1.00 0.00 C ATOM 1210 C PRO B 600 12.299 3.107 6.521 1.00 0.00 C ATOM 1211 O PRO B 600 12.541 3.686 5.462 1.00 0.00 O ATOM 1212 CB PRO B 600 13.282 3.538 8.789 1.00 0.00 C ATOM 1213 CG PRO B 600 12.716 2.471 9.661 1.00 0.00 C ATOM 1214 CD PRO B 600 11.251 2.782 9.799 1.00 0.00 C ATOM 0 HA PRO B 600 12.139 4.938 7.522 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.165 3.186 8.255 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.588 4.406 9.373 1.00 0.00 H new ATOM 0 HG2 PRO B 600 12.866 1.486 9.219 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.206 2.462 10.634 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.654 1.874 9.887 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.050 3.383 10.685 1.00 0.00 H new ATOM 1222 N GLU B 601 12.151 1.789 6.609 1.00 0.00 N ATOM 1223 CA GLU B 601 12.268 0.928 5.438 1.00 0.00 C ATOM 1224 C GLU B 601 11.166 1.230 4.428 1.00 0.00 C ATOM 1225 O GLU B 601 11.247 0.830 3.266 1.00 0.00 O ATOM 1226 CB GLU B 601 12.207 -0.544 5.852 1.00 0.00 C ATOM 1227 CG GLU B 601 12.805 -1.490 4.825 1.00 0.00 C ATOM 1228 CD GLU B 601 13.173 -2.837 5.416 1.00 0.00 C ATOM 1229 OE1 GLU B 601 12.302 -3.731 5.443 1.00 0.00 O ATOM 1230 OE2 GLU B 601 14.332 -2.996 5.853 1.00 0.00 O ATOM 0 H GLU B 601 11.950 1.295 7.478 1.00 0.00 H new ATOM 0 HA GLU B 601 13.231 1.126 4.968 1.00 0.00 H new ATOM 0 HB2 GLU B 601 12.733 -0.669 6.798 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.167 -0.821 6.027 1.00 0.00 H new ATOM 0 HG2 GLU B 601 12.092 -1.636 4.013 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.694 -1.033 4.390 1.00 0.00 H new ATOM 1237 N SER B 602 10.135 1.938 4.879 1.00 0.00 N ATOM 1238 CA SER B 602 9.014 2.291 4.016 1.00 0.00 C ATOM 1239 C SER B 602 9.256 3.632 3.331 1.00 0.00 C ATOM 1240 O SER B 602 9.095 3.761 2.116 1.00 0.00 O ATOM 1241 CB SER B 602 7.717 2.345 4.826 1.00 0.00 C ATOM 1242 OG SER B 602 7.386 1.069 5.345 1.00 0.00 O ATOM 0 H SER B 602 10.053 2.278 5.837 1.00 0.00 H new ATOM 0 HA SER B 602 8.923 1.523 3.248 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.825 3.057 5.644 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.905 2.706 4.195 1.00 0.00 H new ATOM 0 HG SER B 602 6.554 1.131 5.860 1.00 0.00 H new ATOM 1248 N LEU B 603 9.644 4.629 4.118 1.00 0.00 N ATOM 1249 CA LEU B 603 9.909 5.963 3.589 1.00 0.00 C ATOM 1250 C LEU B 603 10.906 5.903 2.437 1.00 0.00 C ATOM 1251 O LEU B 603 10.575 6.237 1.299 1.00 0.00 O ATOM 1252 CB LEU B 603 10.444 6.875 4.695 1.00 0.00 C ATOM 1253 CG LEU B 603 10.656 8.340 4.313 1.00 0.00 C ATOM 1254 CD1 LEU B 603 11.975 8.513 3.575 1.00 0.00 C ATOM 1255 CD2 LEU B 603 9.498 8.843 3.463 1.00 0.00 C ATOM 0 H LEU B 603 9.782 4.540 5.125 1.00 0.00 H new ATOM 0 HA LEU B 603 8.971 6.371 3.213 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.752 6.836 5.537 1.00 0.00 H new ATOM 0 HB3 LEU B 603 11.394 6.470 5.044 1.00 0.00 H new ATOM 0 HG LEU B 603 10.693 8.932 5.227 1.00 0.00 H new ATOM 0 HD11 LEU B 603 12.109 9.562 3.311 1.00 0.00 H new ATOM 0 HD12 LEU B 603 12.796 8.192 4.217 1.00 0.00 H new ATOM 0 HD13 LEU B 603 11.966 7.909 2.668 1.00 0.00 H new ATOM 0 HD21 LEU B 603 9.666 9.887 3.201 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.429 8.247 2.553 1.00 0.00 H new ATOM 0 HD23 LEU B 603 8.569 8.755 4.026 1.00 0.00 H new ATOM 1267 N ARG B 604 12.127 5.474 2.739 1.00 0.00 N ATOM 1268 CA ARG B 604 13.172 5.370 1.728 1.00 0.00 C ATOM 1269 C ARG B 604 12.708 4.515 0.552 1.00 0.00 C ATOM 1270 O ARG B 604 12.928 4.865 -0.607 1.00 0.00 O ATOM 1271 CB ARG B 604 14.442 4.772 2.337 1.00 0.00 C ATOM 1272 CG ARG B 604 14.225 3.418 2.992 1.00 0.00 C ATOM 1273 CD ARG B 604 15.113 3.241 4.213 1.00 0.00 C ATOM 1274 NE ARG B 604 16.464 2.822 3.850 1.00 0.00 N ATOM 1275 CZ ARG B 604 16.773 1.587 3.469 1.00 0.00 C ATOM 1276 NH1 ARG B 604 15.832 0.656 3.400 1.00 0.00 N ATOM 1277 NH2 ARG B 604 18.026 1.283 3.155 1.00 0.00 N ATOM 0 H ARG B 604 12.417 5.193 3.676 1.00 0.00 H new ATOM 0 HA ARG B 604 13.390 6.373 1.362 1.00 0.00 H new ATOM 0 HB2 ARG B 604 15.196 4.672 1.557 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.840 5.465 3.078 1.00 0.00 H new ATOM 0 HG2 ARG B 604 13.180 3.317 3.283 1.00 0.00 H new ATOM 0 HG3 ARG B 604 14.433 2.627 2.272 1.00 0.00 H new ATOM 0 HD2 ARG B 604 15.161 4.179 4.766 1.00 0.00 H new ATOM 0 HD3 ARG B 604 14.670 2.500 4.879 1.00 0.00 H new ATOM 0 HE ARG B 604 17.211 3.515 3.891 1.00 0.00 H new ATOM 0 HH11 ARG B 604 14.868 0.887 3.640 1.00 0.00 H new ATOM 0 HH12 ARG B 604 16.072 -0.291 3.107 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.752 1.997 3.206 1.00 0.00 H new ATOM 0 HH22 ARG B 604 18.263 0.335 2.863 1.00 0.00 H new ATOM 1291 N SER B 605 12.065 3.393 0.861 1.00 0.00 N ATOM 1292 CA SER B 605 11.574 2.486 -0.170 1.00 0.00 C ATOM 1293 C SER B 605 10.707 3.230 -1.181 1.00 0.00 C ATOM 1294 O SER B 605 10.939 3.158 -2.388 1.00 0.00 O ATOM 1295 CB SER B 605 10.774 1.346 0.464 1.00 0.00 C ATOM 1296 OG SER B 605 9.900 0.750 -0.480 1.00 0.00 O ATOM 0 H SER B 605 11.872 3.091 1.816 1.00 0.00 H new ATOM 0 HA SER B 605 12.435 2.070 -0.693 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.457 0.593 0.858 1.00 0.00 H new ATOM 0 HB3 SER B 605 10.198 1.727 1.308 1.00 0.00 H new ATOM 0 HG SER B 605 9.401 0.024 -0.051 1.00 0.00 H new ATOM 1302 N LYS B 606 9.707 3.946 -0.679 1.00 0.00 N ATOM 1303 CA LYS B 606 8.804 4.706 -1.535 1.00 0.00 C ATOM 1304 C LYS B 606 9.572 5.736 -2.357 1.00 0.00 C ATOM 1305 O LYS B 606 9.517 5.731 -3.587 1.00 0.00 O ATOM 1306 CB LYS B 606 7.735 5.405 -0.692 1.00 0.00 C ATOM 1307 CG LYS B 606 6.769 4.446 -0.018 1.00 0.00 C ATOM 1308 CD LYS B 606 6.050 3.574 -1.033 1.00 0.00 C ATOM 1309 CE LYS B 606 5.273 4.412 -2.037 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.550 3.565 -3.026 1.00 0.00 N ATOM 0 H LYS B 606 9.501 4.016 0.318 1.00 0.00 H new ATOM 0 HA LYS B 606 8.320 4.009 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS B 606 8.224 6.011 0.071 1.00 0.00 H new ATOM 0 HB3 LYS B 606 7.172 6.088 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.313 3.815 0.685 1.00 0.00 H new ATOM 0 HG3 LYS B 606 6.038 5.011 0.560 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.775 2.953 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.368 2.899 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.558 5.042 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.958 5.078 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 4.204 4.160 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.197 2.843 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.744 3.100 -2.561 1.00 0.00 H new ATOM 1324 N VAL B 607 10.290 6.619 -1.669 1.00 0.00 N ATOM 1325 CA VAL B 607 11.071 7.654 -2.336 1.00 0.00 C ATOM 1326 C VAL B 607 11.946 7.060 -3.434 1.00 0.00 C ATOM 1327 O VAL B 607 11.905 7.503 -4.582 1.00 0.00 O ATOM 1328 CB VAL B 607 11.965 8.413 -1.337 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.807 9.455 -2.058 1.00 0.00 C ATOM 1330 CG2 VAL B 607 11.119 9.059 -0.250 1.00 0.00 C ATOM 0 H VAL B 607 10.347 6.638 -0.651 1.00 0.00 H new ATOM 0 HA VAL B 607 10.360 8.351 -2.779 1.00 0.00 H new ATOM 0 HB VAL B 607 12.640 7.699 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.432 9.981 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.441 8.963 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.153 10.168 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.767 9.591 0.447 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.419 9.761 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.565 8.288 0.286 1.00 0.00 H new ATOM 1340 N ASP B 608 12.737 6.055 -3.074 1.00 0.00 N ATOM 1341 CA ASP B 608 13.622 5.399 -4.029 1.00 0.00 C ATOM 1342 C ASP B 608 12.834 4.866 -5.222 1.00 0.00 C ATOM 1343 O ASP B 608 13.152 5.169 -6.372 1.00 0.00 O ATOM 1344 CB ASP B 608 14.380 4.256 -3.352 1.00 0.00 C ATOM 1345 CG ASP B 608 15.580 3.799 -4.159 1.00 0.00 C ATOM 1346 OD1 ASP B 608 15.389 3.017 -5.115 1.00 0.00 O ATOM 1347 OD2 ASP B 608 16.708 4.224 -3.836 1.00 0.00 O ATOM 0 H ASP B 608 12.783 5.677 -2.128 1.00 0.00 H new ATOM 0 HA ASP B 608 14.339 6.137 -4.389 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.711 4.578 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.704 3.414 -3.203 1.00 0.00 H new ATOM 1352 N GLU B 609 11.806 4.072 -4.940 1.00 0.00 N ATOM 1353 CA GLU B 609 10.975 3.496 -5.990 1.00 0.00 C ATOM 1354 C GLU B 609 10.468 4.580 -6.938 1.00 0.00 C ATOM 1355 O GLU B 609 10.636 4.485 -8.153 1.00 0.00 O ATOM 1356 CB GLU B 609 9.792 2.742 -5.380 1.00 0.00 C ATOM 1357 CG GLU B 609 8.972 1.968 -6.398 1.00 0.00 C ATOM 1358 CD GLU B 609 8.224 0.802 -5.781 1.00 0.00 C ATOM 1359 OE1 GLU B 609 8.879 -0.196 -5.416 1.00 0.00 O ATOM 1360 OE2 GLU B 609 6.984 0.890 -5.663 1.00 0.00 O ATOM 0 H GLU B 609 11.529 3.813 -3.993 1.00 0.00 H new ATOM 0 HA GLU B 609 11.587 2.796 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.164 2.050 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.143 3.453 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.259 2.642 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.631 1.597 -7.183 1.00 0.00 H new ATOM 1367 N ALA B 610 9.845 5.608 -6.371 1.00 0.00 N ATOM 1368 CA ALA B 610 9.314 6.710 -7.164 1.00 0.00 C ATOM 1369 C ALA B 610 10.378 7.277 -8.098 1.00 0.00 C ATOM 1370 O ALA B 610 10.215 7.269 -9.318 1.00 0.00 O ATOM 1371 CB ALA B 610 8.773 7.802 -6.253 1.00 0.00 C ATOM 0 H ALA B 610 9.696 5.701 -5.366 1.00 0.00 H new ATOM 0 HA ALA B 610 8.499 6.325 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.380 8.619 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.976 7.395 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.575 8.176 -5.617 1.00 0.00 H new ATOM 1377 N VAL B 611 11.467 7.770 -7.517 1.00 0.00 N ATOM 1378 CA VAL B 611 12.559 8.340 -8.298 1.00 0.00 C ATOM 1379 C VAL B 611 12.998 7.389 -9.405 1.00 0.00 C ATOM 1380 O VAL B 611 13.339 7.818 -10.507 1.00 0.00 O ATOM 1381 CB VAL B 611 13.772 8.671 -7.408 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.845 9.387 -8.214 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.343 9.510 -6.214 1.00 0.00 C ATOM 0 H VAL B 611 11.617 7.786 -6.508 1.00 0.00 H new ATOM 0 HA VAL B 611 12.183 9.261 -8.743 1.00 0.00 H new ATOM 0 HB VAL B 611 14.193 7.737 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.694 9.613 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.172 8.747 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.439 10.315 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.212 9.735 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.897 10.441 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.612 8.957 -5.624 1.00 0.00 H new ATOM 1393 N ALA B 612 12.987 6.095 -9.104 1.00 0.00 N ATOM 1394 CA ALA B 612 13.382 5.081 -10.075 1.00 0.00 C ATOM 1395 C ALA B 612 12.410 5.037 -11.249 1.00 0.00 C ATOM 1396 O ALA B 612 12.819 4.907 -12.402 1.00 0.00 O ATOM 1397 CB ALA B 612 13.470 3.717 -9.407 1.00 0.00 C ATOM 0 H ALA B 612 12.709 5.724 -8.196 1.00 0.00 H new ATOM 0 HA ALA B 612 14.365 5.347 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.766 2.970 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.210 3.751 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.498 3.452 -8.991 1.00 0.00 H new ATOM 1403 N VAL B 613 11.120 5.144 -10.946 1.00 0.00 N ATOM 1404 CA VAL B 613 10.088 5.116 -11.977 1.00 0.00 C ATOM 1405 C VAL B 613 10.200 6.325 -12.899 1.00 0.00 C ATOM 1406 O VAL B 613 10.049 6.208 -14.116 1.00 0.00 O ATOM 1407 CB VAL B 613 8.678 5.084 -11.358 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.617 5.109 -12.448 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.514 3.859 -10.471 1.00 0.00 C ATOM 0 H VAL B 613 10.765 5.251 -9.996 1.00 0.00 H new ATOM 0 HA VAL B 613 10.243 4.206 -12.556 1.00 0.00 H new ATOM 0 HB VAL B 613 8.551 5.972 -10.739 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.627 5.086 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.724 6.019 -13.039 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.739 4.240 -13.095 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.512 3.852 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.660 2.957 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.252 3.889 -9.669 1.00 0.00 H new ATOM 1419 N LEU B 614 10.465 7.487 -12.312 1.00 0.00 N ATOM 1420 CA LEU B 614 10.598 8.719 -13.081 1.00 0.00 C ATOM 1421 C LEU B 614 11.577 8.538 -14.236 1.00 0.00 C ATOM 1422 O LEU B 614 11.435 9.164 -15.286 1.00 0.00 O ATOM 1423 CB LEU B 614 11.066 9.860 -12.176 1.00 0.00 C ATOM 1424 CG LEU B 614 10.191 10.151 -10.956 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.639 11.434 -10.272 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.727 10.242 -11.359 1.00 0.00 C ATOM 0 H LEU B 614 10.592 7.602 -11.306 1.00 0.00 H new ATOM 0 HA LEU B 614 9.620 8.967 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.074 9.632 -11.829 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.133 10.768 -12.775 1.00 0.00 H new ATOM 0 HG LEU B 614 10.301 9.329 -10.249 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.005 11.625 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.675 11.331 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.559 12.266 -10.971 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.119 10.449 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.599 11.044 -12.086 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.412 9.297 -11.803 1.00 0.00 H new ATOM 1438 N GLN B 615 12.568 7.676 -14.035 1.00 0.00 N ATOM 1439 CA GLN B 615 13.570 7.411 -15.062 1.00 0.00 C ATOM 1440 C GLN B 615 12.908 7.046 -16.387 1.00 0.00 C ATOM 1441 O GLN B 615 13.457 7.304 -17.457 1.00 0.00 O ATOM 1442 CB GLN B 615 14.502 6.283 -14.616 1.00 0.00 C ATOM 1443 CG GLN B 615 15.640 6.014 -15.588 1.00 0.00 C ATOM 1444 CD GLN B 615 15.223 5.124 -16.742 1.00 0.00 C ATOM 1445 OE1 GLN B 615 14.256 4.368 -16.641 1.00 0.00 O ATOM 1446 NE2 GLN B 615 15.952 5.209 -17.848 1.00 0.00 N ATOM 0 H GLN B 615 12.699 7.149 -13.171 1.00 0.00 H new ATOM 0 HA GLN B 615 14.154 8.320 -15.207 1.00 0.00 H new ATOM 0 HB2 GLN B 615 14.920 6.532 -13.641 1.00 0.00 H new ATOM 0 HB3 GLN B 615 13.920 5.370 -14.490 1.00 0.00 H new ATOM 0 HG2 GLN B 615 16.010 6.962 -15.980 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.467 5.546 -15.053 1.00 0.00 H new ATOM 0 HE21 GLN B 615 16.745 5.849 -17.888 1.00 0.00 H new ATOM 0 HE22 GLN B 615 15.719 4.634 -18.658 1.00 0.00 H new