USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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: A 582 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 586 SER OG : rot 160:sc= 0 USER MOD Set 2.1: A 556 HIS : no HE2:sc= 0.14 K(o=0.39,f=-5.9!) USER MOD Set 2.2: A 566 THR OG1 : rot 85:sc= 0.248 USER MOD Single : A 545 ASN : amide:sc= -1.07 K(o=-1.1,f=-11!) USER MOD Single : A 548 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 553 ASN : amide:sc= 1.13 K(o=1.1,f=-0.046) USER MOD Single : A 554 LYS NZ :NH3+ -156:sc= -0.217 (180deg=-0.784) USER MOD Single : A 559 THR OG1 : rot 45:sc= -1.42! USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 562 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.1) USER MOD Single : A 565 TYR OH : rot -160:sc= 1.32 USER MOD Single : A 568 MET CE :methyl -132:sc= -0.107 (180deg=-0.564) USER MOD Single : A 572 GLN :FLIP amide:sc= -0.943 F(o=-4.3!,f=-0.94) USER MOD Single : A 573 SER OG : rot 150:sc= 0 USER MOD Single : A 574 ASN : amide:sc= -2.27! C(o=-2.3!,f=-4.1!) USER MOD Single : A 576 ASN : amide:sc= -0.087 X(o=-0.087,f=-0.011) USER MOD Single : A 577 TYR OH : rot 91:sc= -0.931 USER MOD Single : A 585 GLN : amide:sc= -2.55 X(o=-2.5,f=-2.2) USER MOD Single : A 587 SER OG : rot 180:sc= 0 USER MOD Single : A 588 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 589 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 544 -13.040 -7.870 2.359 1.00 0.00 N ATOM 28 CA LEU A 544 -11.786 -8.559 2.042 1.00 0.00 C ATOM 29 C LEU A 544 -11.926 -10.067 2.182 1.00 0.00 C ATOM 30 O LEU A 544 -12.998 -10.593 2.492 1.00 0.00 O ATOM 31 CB LEU A 544 -10.570 -8.059 2.889 1.00 0.00 C ATOM 32 CG LEU A 544 -10.080 -6.613 2.680 1.00 0.00 C ATOM 33 CD1 LEU A 544 -9.851 -6.318 1.217 1.00 0.00 C ATOM 34 CD2 LEU A 544 -11.003 -5.589 3.320 1.00 0.00 C ATOM 0 HA LEU A 544 -11.578 -8.312 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -10.828 -8.174 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -9.731 -8.726 2.692 1.00 0.00 H new ATOM 0 HG LEU A 544 -9.121 -6.527 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -9.506 -5.290 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -9.098 -7.000 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -10.784 -6.451 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -10.613 -4.587 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -11.998 -5.673 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -11.061 -5.772 4.393 1.00 0.00 H new ATOM 46 N ASN A 545 -10.867 -10.750 1.908 1.00 0.00 N ATOM 47 CA ASN A 545 -10.787 -12.172 2.100 1.00 0.00 C ATOM 48 C ASN A 545 -9.621 -12.405 3.063 1.00 0.00 C ATOM 49 O ASN A 545 -8.960 -11.422 3.395 1.00 0.00 O ATOM 50 CB ASN A 545 -10.635 -12.919 0.742 1.00 0.00 C ATOM 51 CG ASN A 545 -9.396 -12.583 -0.058 1.00 0.00 C ATOM 52 OD1 ASN A 545 -8.355 -12.212 0.477 1.00 0.00 O ATOM 53 ND2 ASN A 545 -9.493 -12.747 -1.339 1.00 0.00 N ATOM 0 H ASN A 545 -10.012 -10.335 1.537 1.00 0.00 H new ATOM 0 HA ASN A 545 -11.703 -12.579 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -10.640 -13.992 0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -11.510 -12.702 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -8.688 -12.567 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -10.375 -13.057 -1.748 1.00 0.00 H new ATOM 60 N PRO A 546 -9.317 -13.668 3.515 1.00 0.00 N ATOM 61 CA PRO A 546 -8.281 -13.930 4.545 1.00 0.00 C ATOM 62 C PRO A 546 -6.977 -13.178 4.295 1.00 0.00 C ATOM 63 O PRO A 546 -6.497 -12.410 5.145 1.00 0.00 O ATOM 64 CB PRO A 546 -8.025 -15.428 4.412 1.00 0.00 C ATOM 65 CG PRO A 546 -9.291 -15.991 3.891 1.00 0.00 C ATOM 66 CD PRO A 546 -9.924 -14.934 3.043 1.00 0.00 C ATOM 0 HA PRO A 546 -8.619 -13.605 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 546 -7.196 -15.627 3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 546 -7.763 -15.870 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 546 -9.101 -16.891 3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 546 -9.952 -16.276 4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 546 -9.723 -15.101 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -11.007 -14.924 3.164 1.00 0.00 H new ATOM 74 N VAL A 547 -6.467 -13.356 3.111 1.00 0.00 N ATOM 75 CA VAL A 547 -5.207 -12.795 2.714 1.00 0.00 C ATOM 76 C VAL A 547 -5.237 -11.292 2.550 1.00 0.00 C ATOM 77 O VAL A 547 -4.454 -10.625 3.168 1.00 0.00 O ATOM 78 CB VAL A 547 -4.615 -13.489 1.479 1.00 0.00 C ATOM 79 CG1 VAL A 547 -3.900 -14.754 1.897 1.00 0.00 C ATOM 80 CG2 VAL A 547 -5.721 -13.853 0.500 1.00 0.00 C ATOM 0 H VAL A 547 -6.922 -13.904 2.381 1.00 0.00 H new ATOM 0 HA VAL A 547 -4.535 -12.993 3.549 1.00 0.00 H new ATOM 0 HB VAL A 547 -3.914 -12.805 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 547 -3.482 -15.243 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 547 -3.097 -14.506 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 547 -4.606 -15.427 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 547 -5.288 -14.344 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 547 -6.427 -14.528 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 547 -6.241 -12.948 0.185 1.00 0.00 H new ATOM 90 N GLN A 548 -6.144 -10.773 1.729 1.00 0.00 N ATOM 91 CA GLN A 548 -6.300 -9.313 1.534 1.00 0.00 C ATOM 92 C GLN A 548 -6.504 -8.592 2.868 1.00 0.00 C ATOM 93 O GLN A 548 -6.030 -7.483 3.055 1.00 0.00 O ATOM 94 CB GLN A 548 -7.477 -8.993 0.622 1.00 0.00 C ATOM 95 CG GLN A 548 -7.360 -9.506 -0.799 1.00 0.00 C ATOM 96 CD GLN A 548 -8.579 -9.139 -1.620 1.00 0.00 C ATOM 97 OE1 GLN A 548 -9.690 -9.006 -1.086 1.00 0.00 O ATOM 98 NE2 GLN A 548 -8.401 -8.981 -2.905 1.00 0.00 N ATOM 0 H GLN A 548 -6.792 -11.336 1.179 1.00 0.00 H new ATOM 0 HA GLN A 548 -5.379 -8.963 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 548 -8.382 -9.408 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 548 -7.605 -7.911 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 548 -6.467 -9.091 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 548 -7.239 -10.589 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 548 -7.472 -9.098 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 548 -9.191 -8.740 -3.503 1.00 0.00 H new ATOM 107 N LEU A 549 -7.214 -9.241 3.773 1.00 0.00 N ATOM 108 CA LEU A 549 -7.444 -8.741 5.118 1.00 0.00 C ATOM 109 C LEU A 549 -6.115 -8.617 5.856 1.00 0.00 C ATOM 110 O LEU A 549 -5.711 -7.504 6.290 1.00 0.00 O ATOM 111 CB LEU A 549 -8.438 -9.705 5.832 1.00 0.00 C ATOM 112 CG LEU A 549 -8.773 -9.517 7.325 1.00 0.00 C ATOM 113 CD1 LEU A 549 -10.049 -10.265 7.630 1.00 0.00 C ATOM 114 CD2 LEU A 549 -7.676 -10.102 8.202 1.00 0.00 C ATOM 0 H LEU A 549 -7.654 -10.143 3.592 1.00 0.00 H new ATOM 0 HA LEU A 549 -7.886 -7.745 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 549 -9.379 -9.662 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 549 -8.047 -10.716 5.715 1.00 0.00 H new ATOM 0 HG LEU A 549 -8.872 -8.451 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 549 -10.300 -10.142 8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 549 -10.858 -9.870 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 549 -9.911 -11.324 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 549 -7.933 -9.958 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 549 -7.575 -11.168 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 549 -6.732 -9.600 7.988 1.00 0.00 H new ATOM 126 N GLU A 550 -5.397 -9.737 5.959 1.00 0.00 N ATOM 127 CA GLU A 550 -4.133 -9.749 6.673 1.00 0.00 C ATOM 128 C GLU A 550 -3.135 -8.858 5.978 1.00 0.00 C ATOM 129 O GLU A 550 -2.291 -8.218 6.623 1.00 0.00 O ATOM 130 CB GLU A 550 -3.605 -11.163 6.834 1.00 0.00 C ATOM 131 CG GLU A 550 -4.524 -12.049 7.656 1.00 0.00 C ATOM 132 CD GLU A 550 -3.933 -13.395 7.906 1.00 0.00 C ATOM 133 OE1 GLU A 550 -3.175 -13.534 8.880 1.00 0.00 O ATOM 134 OE2 GLU A 550 -4.197 -14.335 7.135 1.00 0.00 O ATOM 0 H GLU A 550 -5.671 -10.635 5.560 1.00 0.00 H new ATOM 0 HA GLU A 550 -4.298 -9.355 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 550 -3.466 -11.608 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 550 -2.624 -11.127 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 550 -4.736 -11.564 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 550 -5.476 -12.163 7.137 1.00 0.00 H new ATOM 141 N LEU A 551 -3.274 -8.780 4.670 1.00 0.00 N ATOM 142 CA LEU A 551 -2.485 -7.915 3.879 1.00 0.00 C ATOM 143 C LEU A 551 -2.729 -6.490 4.251 1.00 0.00 C ATOM 144 O LEU A 551 -1.824 -5.838 4.605 1.00 0.00 O ATOM 145 CB LEU A 551 -2.721 -8.075 2.390 1.00 0.00 C ATOM 146 CG LEU A 551 -1.919 -7.088 1.568 1.00 0.00 C ATOM 147 CD1 LEU A 551 -0.459 -7.268 1.849 1.00 0.00 C ATOM 148 CD2 LEU A 551 -2.200 -7.214 0.113 1.00 0.00 C ATOM 0 H LEU A 551 -3.950 -9.329 4.140 1.00 0.00 H new ATOM 0 HA LEU A 551 -1.451 -8.194 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -2.459 -9.090 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 551 -3.782 -7.943 2.177 1.00 0.00 H new ATOM 0 HG LEU A 551 -2.220 -6.082 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 551 0.116 -6.557 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -0.268 -7.095 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -0.161 -8.283 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 551 -1.603 -6.487 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 551 -1.945 -8.220 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 551 -3.258 -7.028 -0.071 1.00 0.00 H new ATOM 160 N LEU A 552 -3.966 -6.031 4.152 1.00 0.00 N ATOM 161 CA LEU A 552 -4.342 -4.661 4.488 1.00 0.00 C ATOM 162 C LEU A 552 -3.784 -4.271 5.850 1.00 0.00 C ATOM 163 O LEU A 552 -3.310 -3.164 6.018 1.00 0.00 O ATOM 164 CB LEU A 552 -5.873 -4.523 4.477 1.00 0.00 C ATOM 165 CG LEU A 552 -6.451 -3.159 4.857 1.00 0.00 C ATOM 166 CD1 LEU A 552 -6.059 -2.111 3.847 1.00 0.00 C ATOM 167 CD2 LEU A 552 -7.961 -3.235 4.991 1.00 0.00 C ATOM 0 H LEU A 552 -4.748 -6.603 3.833 1.00 0.00 H new ATOM 0 HA LEU A 552 -3.920 -3.988 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 552 -6.228 -4.775 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 552 -6.285 -5.267 5.159 1.00 0.00 H new ATOM 0 HG LEU A 552 -6.036 -2.872 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 552 -6.481 -1.149 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 552 -4.973 -2.033 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 552 -6.439 -2.392 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 552 -8.352 -2.254 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 552 -8.395 -3.549 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 552 -8.222 -3.956 5.766 1.00 0.00 H new ATOM 179 N ASN A 553 -3.799 -5.203 6.788 1.00 0.00 N ATOM 180 CA ASN A 553 -3.221 -4.943 8.118 1.00 0.00 C ATOM 181 C ASN A 553 -1.704 -4.729 8.025 1.00 0.00 C ATOM 182 O ASN A 553 -1.177 -3.658 8.403 1.00 0.00 O ATOM 183 CB ASN A 553 -3.545 -6.071 9.111 1.00 0.00 C ATOM 184 CG ASN A 553 -4.983 -6.045 9.598 1.00 0.00 C ATOM 185 OD1 ASN A 553 -5.295 -5.432 10.623 1.00 0.00 O ATOM 186 ND2 ASN A 553 -5.863 -6.682 8.887 1.00 0.00 N ATOM 0 H ASN A 553 -4.195 -6.135 6.668 1.00 0.00 H new ATOM 0 HA ASN A 553 -3.678 -4.028 8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 553 -3.346 -7.032 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 553 -2.876 -5.995 9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 553 -6.843 -6.685 9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 553 -5.575 -7.180 8.045 1.00 0.00 H new ATOM 193 N LYS A 554 -1.013 -5.718 7.483 1.00 0.00 N ATOM 194 CA LYS A 554 0.438 -5.652 7.307 1.00 0.00 C ATOM 195 C LYS A 554 0.836 -4.511 6.392 1.00 0.00 C ATOM 196 O LYS A 554 1.738 -3.775 6.708 1.00 0.00 O ATOM 197 CB LYS A 554 0.989 -6.967 6.737 1.00 0.00 C ATOM 198 CG LYS A 554 2.384 -6.813 6.132 1.00 0.00 C ATOM 199 CD LYS A 554 2.846 -8.036 5.379 1.00 0.00 C ATOM 200 CE LYS A 554 3.319 -9.133 6.298 1.00 0.00 C ATOM 201 NZ LYS A 554 4.436 -8.684 7.161 1.00 0.00 N ATOM 0 H LYS A 554 -1.434 -6.586 7.153 1.00 0.00 H new ATOM 0 HA LYS A 554 0.866 -5.480 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 554 1.022 -7.715 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 554 0.306 -7.341 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 554 2.387 -5.957 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 554 3.096 -6.595 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 554 2.029 -8.410 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 554 3.655 -7.759 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 554 2.490 -9.468 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 554 3.639 -9.990 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 4.992 -9.508 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 5.047 -8.033 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 4.055 -8.195 7.996 1.00 0.00 H new ATOM 215 N LEU A 555 0.167 -4.380 5.262 1.00 0.00 N ATOM 216 CA LEU A 555 0.453 -3.400 4.316 1.00 0.00 C ATOM 217 C LEU A 555 0.250 -2.048 4.943 1.00 0.00 C ATOM 218 O LEU A 555 1.094 -1.219 4.813 1.00 0.00 O ATOM 219 CB LEU A 555 -0.385 -3.673 3.060 1.00 0.00 C ATOM 220 CG LEU A 555 -0.138 -2.844 1.812 1.00 0.00 C ATOM 221 CD1 LEU A 555 1.281 -2.501 1.691 1.00 0.00 C ATOM 222 CD2 LEU A 555 -0.467 -3.677 0.621 1.00 0.00 C ATOM 0 H LEU A 555 -0.609 -4.988 5.000 1.00 0.00 H new ATOM 0 HA LEU A 555 1.493 -3.420 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 555 -0.244 -4.720 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 555 -1.434 -3.552 3.332 1.00 0.00 H new ATOM 0 HG LEU A 555 -0.745 -1.941 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 555 1.436 -1.907 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 555 1.592 -1.926 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 555 1.872 -3.415 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 555 -0.296 -3.098 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 555 0.167 -4.564 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 555 -1.513 -3.979 0.666 1.00 0.00 H new ATOM 234 N HIS A 556 -0.817 -1.878 5.728 1.00 0.00 N ATOM 235 CA HIS A 556 -1.001 -0.647 6.508 1.00 0.00 C ATOM 236 C HIS A 556 0.214 -0.402 7.401 1.00 0.00 C ATOM 237 O HIS A 556 0.635 0.713 7.553 1.00 0.00 O ATOM 238 CB HIS A 556 -2.306 -0.678 7.358 1.00 0.00 C ATOM 239 CG HIS A 556 -2.357 0.432 8.346 1.00 0.00 C ATOM 240 ND1 HIS A 556 -2.245 1.695 7.941 1.00 0.00 N ATOM 241 CD2 HIS A 556 -2.295 0.467 9.699 1.00 0.00 C ATOM 242 CE1 HIS A 556 -2.088 2.485 8.929 1.00 0.00 C ATOM 243 NE2 HIS A 556 -2.121 1.785 10.033 1.00 0.00 N ATOM 0 H HIS A 556 -1.560 -2.567 5.841 1.00 0.00 H new ATOM 0 HA HIS A 556 -1.099 0.176 5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 556 -3.170 -0.614 6.697 1.00 0.00 H new ATOM 0 HB3 HIS A 556 -2.375 -1.632 7.881 1.00 0.00 H new ATOM 0 HD1 HIS A 556 -2.280 1.992 6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 556 -2.368 -0.372 10.376 1.00 0.00 H new ATOM 0 HE1 HIS A 556 -1.951 3.554 8.865 1.00 0.00 H new ATOM 252 N LEU A 557 0.747 -1.430 7.983 1.00 0.00 N ATOM 253 CA LEU A 557 1.944 -1.283 8.796 1.00 0.00 C ATOM 254 C LEU A 557 3.211 -1.039 8.013 1.00 0.00 C ATOM 255 O LEU A 557 4.117 -0.350 8.481 1.00 0.00 O ATOM 256 CB LEU A 557 2.110 -2.428 9.770 1.00 0.00 C ATOM 257 CG LEU A 557 1.276 -2.265 10.999 1.00 0.00 C ATOM 258 CD1 LEU A 557 1.521 -3.405 11.976 1.00 0.00 C ATOM 259 CD2 LEU A 557 1.630 -0.929 11.603 1.00 0.00 C ATOM 0 H LEU A 557 0.385 -2.382 7.920 1.00 0.00 H new ATOM 0 HA LEU A 557 1.778 -0.369 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 557 1.843 -3.362 9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 557 3.159 -2.508 10.056 1.00 0.00 H new ATOM 0 HG LEU A 557 0.214 -2.295 10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 557 0.903 -3.264 12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 557 1.264 -4.352 11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 557 2.572 -3.417 12.265 1.00 0.00 H new ATOM 0 HD21 LEU A 557 1.041 -0.770 12.506 1.00 0.00 H new ATOM 0 HD22 LEU A 557 2.691 -0.913 11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 557 1.415 -0.137 10.886 1.00 0.00 H new ATOM 271 N GLU A 558 3.279 -1.580 6.856 1.00 0.00 N ATOM 272 CA GLU A 558 4.442 -1.450 6.034 1.00 0.00 C ATOM 273 C GLU A 558 4.448 -0.154 5.249 1.00 0.00 C ATOM 274 O GLU A 558 5.502 0.469 5.079 1.00 0.00 O ATOM 275 CB GLU A 558 4.580 -2.661 5.145 1.00 0.00 C ATOM 276 CG GLU A 558 4.846 -3.929 5.939 1.00 0.00 C ATOM 277 CD GLU A 558 6.185 -3.909 6.637 1.00 0.00 C ATOM 278 OE1 GLU A 558 6.322 -3.284 7.701 1.00 0.00 O ATOM 279 OE2 GLU A 558 7.139 -4.508 6.112 1.00 0.00 O ATOM 0 H GLU A 558 2.529 -2.132 6.440 1.00 0.00 H new ATOM 0 HA GLU A 558 5.317 -1.403 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 558 3.669 -2.785 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 558 5.394 -2.500 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 558 4.057 -4.062 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 558 4.803 -4.788 5.269 1.00 0.00 H new ATOM 286 N THR A 559 3.301 0.257 4.769 1.00 0.00 N ATOM 287 CA THR A 559 3.217 1.504 4.086 1.00 0.00 C ATOM 288 C THR A 559 2.982 2.637 5.050 1.00 0.00 C ATOM 289 O THR A 559 3.473 3.742 4.824 1.00 0.00 O ATOM 290 CB THR A 559 2.179 1.542 2.881 1.00 0.00 C ATOM 291 OG1 THR A 559 2.121 2.808 2.344 1.00 0.00 O ATOM 292 CG2 THR A 559 0.753 1.113 3.199 1.00 0.00 C ATOM 0 H THR A 559 2.423 -0.257 4.842 1.00 0.00 H new ATOM 0 HA THR A 559 4.192 1.633 3.615 1.00 0.00 H new ATOM 0 HB THR A 559 2.573 0.801 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 559 3.030 3.157 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 559 0.143 1.182 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 559 0.754 0.084 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 559 0.340 1.765 3.968 1.00 0.00 H new ATOM 300 N LYS A 560 2.286 2.340 6.159 1.00 0.00 N ATOM 301 CA LYS A 560 1.861 3.353 7.116 1.00 0.00 C ATOM 302 C LYS A 560 1.217 4.456 6.436 1.00 0.00 C ATOM 303 O LYS A 560 1.655 5.602 6.434 1.00 0.00 O ATOM 304 CB LYS A 560 2.913 3.706 8.173 1.00 0.00 C ATOM 305 CG LYS A 560 3.127 2.590 9.189 1.00 0.00 C ATOM 306 CD LYS A 560 4.132 2.961 10.267 1.00 0.00 C ATOM 307 CE LYS A 560 5.511 3.286 9.706 1.00 0.00 C ATOM 308 NZ LYS A 560 6.422 3.778 10.765 1.00 0.00 N ATOM 0 H LYS A 560 2.007 1.392 6.410 1.00 0.00 H new ATOM 0 HA LYS A 560 1.087 2.921 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 560 3.859 3.927 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 560 2.607 4.613 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 560 2.174 2.343 9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 560 3.470 1.694 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 560 3.760 3.821 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 560 4.218 2.137 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 560 5.936 2.396 9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 560 5.419 4.040 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 7.352 3.990 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 6.027 4.641 11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 6.528 3.048 11.499 1.00 0.00 H new ATOM 322 N LEU A 561 0.185 4.035 5.751 1.00 0.00 N ATOM 323 CA LEU A 561 -0.676 4.857 5.135 1.00 0.00 C ATOM 324 C LEU A 561 -1.878 4.501 5.770 1.00 0.00 C ATOM 325 O LEU A 561 -2.061 3.362 6.050 1.00 0.00 O ATOM 326 CB LEU A 561 -0.813 4.630 3.633 1.00 0.00 C ATOM 327 CG LEU A 561 0.368 5.012 2.795 1.00 0.00 C ATOM 328 CD1 LEU A 561 0.035 4.903 1.331 1.00 0.00 C ATOM 329 CD2 LEU A 561 0.802 6.395 3.116 1.00 0.00 C ATOM 0 H LEU A 561 -0.040 3.047 5.635 1.00 0.00 H new ATOM 0 HA LEU A 561 -0.365 5.899 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 561 -1.025 3.574 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 561 -1.679 5.190 3.280 1.00 0.00 H new ATOM 0 HG LEU A 561 1.184 4.325 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 561 0.905 5.185 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 561 -0.247 3.876 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 561 -0.795 5.569 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 561 1.661 6.659 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 561 -0.015 7.088 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 561 1.079 6.454 4.169 1.00 0.00 H new ATOM 341 N ASN A 562 -2.571 5.446 6.133 1.00 0.00 N ATOM 342 CA ASN A 562 -3.884 5.350 6.702 1.00 0.00 C ATOM 343 C ASN A 562 -4.576 4.337 5.856 1.00 0.00 C ATOM 344 O ASN A 562 -4.632 4.482 4.634 1.00 0.00 O ATOM 345 CB ASN A 562 -4.503 6.723 6.633 1.00 0.00 C ATOM 346 CG ASN A 562 -5.738 6.916 7.446 1.00 0.00 C ATOM 347 OD1 ASN A 562 -5.984 6.230 8.433 1.00 0.00 O ATOM 348 ND2 ASN A 562 -6.423 7.944 7.125 1.00 0.00 N ATOM 0 H ASN A 562 -2.250 6.411 6.053 1.00 0.00 H new ATOM 0 HA ASN A 562 -3.926 5.042 7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 562 -3.760 7.453 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 562 -4.737 6.944 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 562 -7.216 8.228 7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 562 -6.177 8.481 6.294 1.00 0.00 H new ATOM 355 N ALA A 563 -4.946 3.263 6.491 1.00 0.00 N ATOM 356 CA ALA A 563 -5.230 2.013 5.827 1.00 0.00 C ATOM 357 C ALA A 563 -6.250 2.095 4.662 1.00 0.00 C ATOM 358 O ALA A 563 -6.297 1.209 3.871 1.00 0.00 O ATOM 359 CB ALA A 563 -5.613 0.932 6.816 1.00 0.00 C ATOM 0 H ALA A 563 -5.062 3.225 7.504 1.00 0.00 H new ATOM 0 HA ALA A 563 -4.288 1.743 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 563 -5.820 0.005 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 563 -4.793 0.772 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 563 -6.503 1.240 7.365 1.00 0.00 H new ATOM 365 N GLU A 564 -7.053 3.144 4.582 1.00 0.00 N ATOM 366 CA GLU A 564 -7.929 3.367 3.414 1.00 0.00 C ATOM 367 C GLU A 564 -7.090 3.691 2.180 1.00 0.00 C ATOM 368 O GLU A 564 -7.353 3.228 1.058 1.00 0.00 O ATOM 369 CB GLU A 564 -8.960 4.486 3.661 1.00 0.00 C ATOM 370 CG GLU A 564 -8.494 5.642 4.527 1.00 0.00 C ATOM 371 CD GLU A 564 -8.680 5.357 6.000 1.00 0.00 C ATOM 372 OE1 GLU A 564 -7.808 4.733 6.613 1.00 0.00 O ATOM 373 OE2 GLU A 564 -9.733 5.739 6.563 1.00 0.00 O ATOM 0 H GLU A 564 -7.125 3.861 5.304 1.00 0.00 H new ATOM 0 HA GLU A 564 -8.484 2.444 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -9.272 4.884 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -9.842 4.044 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -7.442 5.844 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -9.048 6.542 4.259 1.00 0.00 H new ATOM 380 N TYR A 565 -6.031 4.395 2.424 1.00 0.00 N ATOM 381 CA TYR A 565 -5.098 4.802 1.397 1.00 0.00 C ATOM 382 C TYR A 565 -4.266 3.637 1.086 1.00 0.00 C ATOM 383 O TYR A 565 -3.971 3.361 -0.068 1.00 0.00 O ATOM 384 CB TYR A 565 -4.232 5.974 1.850 1.00 0.00 C ATOM 385 CG TYR A 565 -4.985 7.258 1.906 1.00 0.00 C ATOM 386 CD1 TYR A 565 -5.223 7.957 0.755 1.00 0.00 C ATOM 387 CD2 TYR A 565 -5.485 7.751 3.096 1.00 0.00 C ATOM 388 CE1 TYR A 565 -5.936 9.125 0.760 1.00 0.00 C ATOM 389 CE2 TYR A 565 -6.219 8.927 3.123 1.00 0.00 C ATOM 390 CZ TYR A 565 -6.439 9.608 1.941 1.00 0.00 C ATOM 391 OH TYR A 565 -7.176 10.772 1.932 1.00 0.00 O ATOM 0 H TYR A 565 -5.777 4.715 3.359 1.00 0.00 H new ATOM 0 HA TYR A 565 -5.641 5.144 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 565 -3.820 5.756 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 565 -3.388 6.082 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 565 -4.839 7.578 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 565 -5.302 7.214 4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 565 -6.102 9.664 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 565 -6.613 9.305 4.055 1.00 0.00 H new ATOM 0 HH TYR A 565 -7.192 11.156 2.834 1.00 0.00 H new ATOM 401 N THR A 566 -3.923 2.922 2.138 1.00 0.00 N ATOM 402 CA THR A 566 -3.273 1.658 2.012 1.00 0.00 C ATOM 403 C THR A 566 -4.135 0.737 1.161 1.00 0.00 C ATOM 404 O THR A 566 -3.656 0.098 0.306 1.00 0.00 O ATOM 405 CB THR A 566 -3.165 1.017 3.371 1.00 0.00 C ATOM 406 OG1 THR A 566 -2.187 1.654 4.142 1.00 0.00 O ATOM 407 CG2 THR A 566 -2.961 -0.489 3.345 1.00 0.00 C ATOM 0 H THR A 566 -4.093 3.212 3.101 1.00 0.00 H new ATOM 0 HA THR A 566 -2.290 1.808 1.566 1.00 0.00 H new ATOM 0 HB THR A 566 -4.138 1.157 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 566 -2.577 2.438 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 566 -2.894 -0.865 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 566 -3.803 -0.962 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 566 -2.040 -0.722 2.812 1.00 0.00 H new ATOM 415 N PHE A 567 -5.423 0.715 1.452 1.00 0.00 N ATOM 416 CA PHE A 567 -6.395 -0.128 0.790 1.00 0.00 C ATOM 417 C PHE A 567 -6.444 0.195 -0.664 1.00 0.00 C ATOM 418 O PHE A 567 -6.463 -0.666 -1.459 1.00 0.00 O ATOM 419 CB PHE A 567 -7.782 0.097 1.411 1.00 0.00 C ATOM 420 CG PHE A 567 -8.845 -0.846 0.956 1.00 0.00 C ATOM 421 CD1 PHE A 567 -9.544 -0.633 -0.222 1.00 0.00 C ATOM 422 CD2 PHE A 567 -9.150 -1.942 1.718 1.00 0.00 C ATOM 423 CE1 PHE A 567 -10.520 -1.505 -0.623 1.00 0.00 C ATOM 424 CE2 PHE A 567 -10.131 -2.818 1.326 1.00 0.00 C ATOM 425 CZ PHE A 567 -10.817 -2.603 0.153 1.00 0.00 C ATOM 0 H PHE A 567 -5.832 1.303 2.179 1.00 0.00 H new ATOM 0 HA PHE A 567 -6.104 -1.171 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 567 -7.693 0.023 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 567 -8.102 1.115 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 567 -9.316 0.230 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 567 -8.613 -2.119 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 567 -11.055 -1.332 -1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 567 -10.365 -3.676 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 567 -11.587 -3.294 -0.158 1.00 0.00 H new ATOM 435 N MET A 568 -6.360 1.461 -0.971 1.00 0.00 N ATOM 436 CA MET A 568 -6.482 1.964 -2.352 1.00 0.00 C ATOM 437 C MET A 568 -5.252 1.567 -3.088 1.00 0.00 C ATOM 438 O MET A 568 -5.285 1.154 -4.257 1.00 0.00 O ATOM 439 CB MET A 568 -6.653 3.510 -2.353 1.00 0.00 C ATOM 440 CG MET A 568 -6.775 4.186 -3.738 1.00 0.00 C ATOM 441 SD MET A 568 -5.225 4.302 -4.684 1.00 0.00 S ATOM 442 CE MET A 568 -4.260 5.384 -3.616 1.00 0.00 C ATOM 0 H MET A 568 -6.204 2.194 -0.279 1.00 0.00 H new ATOM 0 HA MET A 568 -7.361 1.540 -2.837 1.00 0.00 H new ATOM 0 HB2 MET A 568 -7.543 3.756 -1.773 1.00 0.00 H new ATOM 0 HB3 MET A 568 -5.802 3.948 -1.832 1.00 0.00 H new ATOM 0 HG2 MET A 568 -7.503 3.633 -4.331 1.00 0.00 H new ATOM 0 HG3 MET A 568 -7.174 5.191 -3.600 1.00 0.00 H new ATOM 0 HE1 MET A 568 -3.811 6.178 -4.213 1.00 0.00 H new ATOM 0 HE2 MET A 568 -4.910 5.822 -2.859 1.00 0.00 H new ATOM 0 HE3 MET A 568 -3.474 4.807 -3.129 1.00 0.00 H new ATOM 452 N LEU A 569 -4.188 1.629 -2.358 1.00 0.00 N ATOM 453 CA LEU A 569 -2.886 1.288 -2.806 1.00 0.00 C ATOM 454 C LEU A 569 -2.834 -0.197 -3.033 1.00 0.00 C ATOM 455 O LEU A 569 -2.532 -0.660 -4.106 1.00 0.00 O ATOM 456 CB LEU A 569 -1.927 1.653 -1.706 1.00 0.00 C ATOM 457 CG LEU A 569 -0.558 1.069 -1.788 1.00 0.00 C ATOM 458 CD1 LEU A 569 0.348 1.886 -2.654 1.00 0.00 C ATOM 459 CD2 LEU A 569 -0.026 0.848 -0.405 1.00 0.00 C ATOM 0 H LEU A 569 -4.208 1.935 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 569 -2.633 1.808 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -1.833 2.739 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -2.369 1.352 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 569 -0.610 0.097 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 569 1.335 1.424 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -0.061 1.937 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 569 0.431 2.893 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 569 0.975 0.421 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 569 0.016 1.800 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -0.682 0.162 0.132 1.00 0.00 H new ATOM 471 N ALA A 570 -3.185 -0.911 -2.004 1.00 0.00 N ATOM 472 CA ALA A 570 -3.175 -2.318 -1.979 1.00 0.00 C ATOM 473 C ALA A 570 -4.113 -2.884 -3.060 1.00 0.00 C ATOM 474 O ALA A 570 -3.814 -3.876 -3.717 1.00 0.00 O ATOM 475 CB ALA A 570 -3.437 -2.853 -0.541 1.00 0.00 C ATOM 0 H ALA A 570 -3.498 -0.495 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 570 -2.181 -2.683 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 570 -3.424 -3.943 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 570 -2.661 -2.487 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 570 -4.410 -2.505 -0.195 1.00 0.00 H new ATOM 481 N GLU A 571 -5.177 -2.154 -3.275 1.00 0.00 N ATOM 482 CA GLU A 571 -6.212 -2.437 -4.276 1.00 0.00 C ATOM 483 C GLU A 571 -5.703 -2.272 -5.715 1.00 0.00 C ATOM 484 O GLU A 571 -5.830 -3.201 -6.536 1.00 0.00 O ATOM 485 CB GLU A 571 -7.447 -1.549 -3.998 1.00 0.00 C ATOM 486 CG GLU A 571 -8.366 -1.315 -5.153 1.00 0.00 C ATOM 487 CD GLU A 571 -9.567 -0.482 -4.788 1.00 0.00 C ATOM 488 OE1 GLU A 571 -9.496 0.777 -4.913 1.00 0.00 O ATOM 489 OE2 GLU A 571 -10.612 -1.046 -4.410 1.00 0.00 O ATOM 0 H GLU A 571 -5.368 -1.306 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 571 -6.497 -3.485 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -8.021 -2.004 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -7.099 -0.582 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -7.816 -0.820 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -8.702 -2.276 -5.544 1.00 0.00 H new ATOM 496 N GLN A 572 -5.123 -1.104 -6.026 1.00 0.00 N ATOM 497 CA GLN A 572 -4.619 -0.825 -7.384 1.00 0.00 C ATOM 498 C GLN A 572 -3.455 -1.757 -7.690 1.00 0.00 C ATOM 499 O GLN A 572 -3.276 -2.222 -8.817 1.00 0.00 O ATOM 500 CB GLN A 572 -4.156 0.646 -7.519 1.00 0.00 C ATOM 501 CG GLN A 572 -3.000 0.990 -6.601 1.00 0.00 C ATOM 502 CD GLN A 572 -2.458 2.377 -6.732 1.00 0.00 C ATOM 503 OE1 GLN A 572 -1.950 2.878 -5.650 1.00 0.00 O flip ATOM 504 NE2 GLN A 572 -2.492 2.991 -7.796 1.00 0.00 N flip ATOM 0 H GLN A 572 -4.990 -0.340 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 572 -5.429 -0.992 -8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -3.862 0.835 -8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -4.995 1.307 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -3.322 0.842 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -2.190 0.284 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -2.902 2.556 -8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -2.110 3.935 -7.852 1.00 0.00 H new ATOM 513 N SER A 573 -2.726 -2.058 -6.656 1.00 0.00 N ATOM 514 CA SER A 573 -1.566 -2.872 -6.679 1.00 0.00 C ATOM 515 C SER A 573 -1.895 -4.333 -6.388 1.00 0.00 C ATOM 516 O SER A 573 -1.186 -5.002 -5.669 1.00 0.00 O ATOM 517 CB SER A 573 -0.565 -2.239 -5.714 1.00 0.00 C ATOM 518 OG SER A 573 -0.033 -1.033 -6.257 1.00 0.00 O ATOM 0 H SER A 573 -2.947 -1.716 -5.721 1.00 0.00 H new ATOM 0 HA SER A 573 -1.117 -2.909 -7.672 1.00 0.00 H new ATOM 0 HB2 SER A 573 -1.053 -2.031 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 573 0.245 -2.940 -5.511 1.00 0.00 H new ATOM 0 HG SER A 573 0.193 -0.418 -5.528 1.00 0.00 H new ATOM 524 N ASN A 574 -3.023 -4.783 -6.972 1.00 0.00 N ATOM 525 CA ASN A 574 -3.508 -6.208 -7.070 1.00 0.00 C ATOM 526 C ASN A 574 -3.432 -7.070 -5.800 1.00 0.00 C ATOM 527 O ASN A 574 -3.690 -8.278 -5.854 1.00 0.00 O ATOM 528 CB ASN A 574 -2.889 -6.960 -8.279 1.00 0.00 C ATOM 529 CG ASN A 574 -1.383 -7.173 -8.208 1.00 0.00 C ATOM 530 OD1 ASN A 574 -0.919 -8.146 -7.647 1.00 0.00 O ATOM 531 ND2 ASN A 574 -0.622 -6.302 -8.820 1.00 0.00 N ATOM 0 H ASN A 574 -3.672 -4.136 -7.421 1.00 0.00 H new ATOM 0 HA ASN A 574 -4.578 -6.068 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 574 -3.374 -7.932 -8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 574 -3.119 -6.405 -9.188 1.00 0.00 H new ATOM 0 HD21 ASN A 574 0.390 -6.430 -8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 574 -1.041 -5.495 -9.282 1.00 0.00 H new ATOM 538 N TRP A 575 -3.132 -6.447 -4.680 1.00 0.00 N ATOM 539 CA TRP A 575 -3.043 -7.081 -3.377 1.00 0.00 C ATOM 540 C TRP A 575 -1.895 -8.100 -3.317 1.00 0.00 C ATOM 541 O TRP A 575 -1.942 -9.047 -2.533 1.00 0.00 O ATOM 542 CB TRP A 575 -4.388 -7.726 -2.969 1.00 0.00 C ATOM 543 CG TRP A 575 -5.541 -6.762 -2.940 1.00 0.00 C ATOM 544 CD1 TRP A 575 -6.375 -6.445 -3.977 1.00 0.00 C ATOM 545 CD2 TRP A 575 -5.982 -5.988 -1.824 1.00 0.00 C ATOM 546 NE1 TRP A 575 -7.300 -5.522 -3.575 1.00 0.00 N ATOM 547 CE2 TRP A 575 -7.081 -5.223 -2.255 1.00 0.00 C ATOM 548 CE3 TRP A 575 -5.551 -5.867 -0.501 1.00 0.00 C ATOM 549 CZ2 TRP A 575 -7.752 -4.351 -1.410 1.00 0.00 C ATOM 550 CZ3 TRP A 575 -6.219 -5.001 0.334 1.00 0.00 C ATOM 551 CH2 TRP A 575 -7.304 -4.254 -0.124 1.00 0.00 C ATOM 0 H TRP A 575 -2.935 -5.447 -4.649 1.00 0.00 H new ATOM 0 HA TRP A 575 -2.819 -6.297 -2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 575 -4.619 -8.533 -3.665 1.00 0.00 H new ATOM 0 HB3 TRP A 575 -4.279 -8.177 -1.983 1.00 0.00 H new ATOM 0 HD1 TRP A 575 -6.312 -6.864 -4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 575 -8.033 -5.122 -4.161 1.00 0.00 H new ATOM 0 HE3 TRP A 575 -4.710 -6.441 -0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 575 -8.595 -3.772 -1.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 575 -5.898 -4.898 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 575 -7.803 -3.581 0.557 1.00 0.00 H new ATOM 562 N ASN A 576 -0.815 -7.869 -4.085 1.00 0.00 N ATOM 563 CA ASN A 576 0.338 -8.827 -4.031 1.00 0.00 C ATOM 564 C ASN A 576 1.346 -8.371 -2.962 1.00 0.00 C ATOM 565 O ASN A 576 2.468 -8.855 -2.895 1.00 0.00 O ATOM 566 CB ASN A 576 1.063 -8.942 -5.398 1.00 0.00 C ATOM 567 CG ASN A 576 1.860 -10.243 -5.557 1.00 0.00 C ATOM 568 OD1 ASN A 576 1.317 -11.272 -5.950 1.00 0.00 O ATOM 569 ND2 ASN A 576 3.147 -10.193 -5.335 1.00 0.00 N ATOM 0 H ASN A 576 -0.703 -7.079 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 576 -0.065 -9.808 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 576 0.326 -8.876 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 576 1.738 -8.094 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 576 3.723 -11.020 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 576 3.575 -9.326 -5.009 1.00 0.00 H new ATOM 576 N TYR A 577 0.919 -7.421 -2.127 1.00 0.00 N ATOM 577 CA TYR A 577 1.743 -6.803 -1.062 1.00 0.00 C ATOM 578 C TYR A 577 2.889 -5.980 -1.610 1.00 0.00 C ATOM 579 O TYR A 577 2.846 -4.765 -1.588 1.00 0.00 O ATOM 580 CB TYR A 577 2.296 -7.819 -0.024 1.00 0.00 C ATOM 581 CG TYR A 577 3.286 -7.181 0.961 1.00 0.00 C ATOM 582 CD1 TYR A 577 2.855 -6.322 1.957 1.00 0.00 C ATOM 583 CD2 TYR A 577 4.655 -7.415 0.855 1.00 0.00 C ATOM 584 CE1 TYR A 577 3.749 -5.725 2.814 1.00 0.00 C ATOM 585 CE2 TYR A 577 5.549 -6.828 1.696 1.00 0.00 C ATOM 586 CZ TYR A 577 5.109 -5.987 2.668 1.00 0.00 C ATOM 587 OH TYR A 577 6.022 -5.402 3.494 1.00 0.00 O ATOM 0 H TYR A 577 -0.029 -7.045 -2.166 1.00 0.00 H new ATOM 0 HA TYR A 577 1.046 -6.143 -0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 577 1.465 -8.252 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 577 2.789 -8.637 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 577 1.800 -6.117 2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 577 5.016 -8.080 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 577 3.401 -5.061 3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 577 6.605 -7.030 1.591 1.00 0.00 H new ATOM 0 HH TYR A 577 6.178 -5.980 4.270 1.00 0.00 H new ATOM 597 N GLU A 578 3.862 -6.668 -2.170 1.00 0.00 N ATOM 598 CA GLU A 578 5.152 -6.115 -2.593 1.00 0.00 C ATOM 599 C GLU A 578 4.986 -5.129 -3.708 1.00 0.00 C ATOM 600 O GLU A 578 5.873 -4.344 -4.028 1.00 0.00 O ATOM 601 CB GLU A 578 6.039 -7.243 -3.043 1.00 0.00 C ATOM 602 CG GLU A 578 6.070 -8.356 -2.045 1.00 0.00 C ATOM 603 CD GLU A 578 7.007 -9.458 -2.415 1.00 0.00 C ATOM 604 OE1 GLU A 578 6.665 -10.275 -3.279 1.00 0.00 O ATOM 605 OE2 GLU A 578 8.122 -9.523 -1.844 1.00 0.00 O ATOM 0 H GLU A 578 3.783 -7.668 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 578 5.600 -5.591 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 578 5.685 -7.624 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 578 7.050 -6.869 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 578 6.358 -7.955 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 578 5.065 -8.764 -1.936 1.00 0.00 H new ATOM 612 N VAL A 579 3.862 -5.166 -4.286 1.00 0.00 N ATOM 613 CA VAL A 579 3.552 -4.299 -5.369 1.00 0.00 C ATOM 614 C VAL A 579 2.924 -3.016 -4.890 1.00 0.00 C ATOM 615 O VAL A 579 3.103 -1.971 -5.475 1.00 0.00 O ATOM 616 CB VAL A 579 2.759 -5.022 -6.471 1.00 0.00 C ATOM 617 CG1 VAL A 579 1.599 -5.710 -5.852 1.00 0.00 C ATOM 618 CG2 VAL A 579 2.307 -4.100 -7.596 1.00 0.00 C ATOM 0 H VAL A 579 3.109 -5.804 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 579 4.486 -4.000 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 579 3.426 -5.746 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 579 1.028 -6.227 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 579 1.954 -6.433 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 579 0.961 -4.976 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 579 1.754 -4.676 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 579 1.664 -3.319 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 579 3.179 -3.645 -8.066 1.00 0.00 H new ATOM 628 N ALA A 580 2.260 -3.098 -3.808 1.00 0.00 N ATOM 629 CA ALA A 580 1.738 -1.915 -3.159 1.00 0.00 C ATOM 630 C ALA A 580 2.862 -1.339 -2.334 1.00 0.00 C ATOM 631 O ALA A 580 2.833 -0.200 -1.916 1.00 0.00 O ATOM 632 CB ALA A 580 0.560 -2.285 -2.303 1.00 0.00 C ATOM 0 H ALA A 580 2.050 -3.974 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 580 1.390 -1.177 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.169 -1.392 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.217 -2.728 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 580 0.872 -3.004 -1.546 1.00 0.00 H new ATOM 638 N ILE A 581 3.841 -2.175 -2.114 1.00 0.00 N ATOM 639 CA ILE A 581 5.093 -1.801 -1.500 1.00 0.00 C ATOM 640 C ILE A 581 5.802 -0.964 -2.471 1.00 0.00 C ATOM 641 O ILE A 581 6.240 0.119 -2.140 1.00 0.00 O ATOM 642 CB ILE A 581 5.906 -3.118 -1.092 1.00 0.00 C ATOM 643 CG1 ILE A 581 5.731 -3.417 0.345 1.00 0.00 C ATOM 644 CG2 ILE A 581 7.376 -3.137 -1.443 1.00 0.00 C ATOM 645 CD1 ILE A 581 4.467 -2.935 0.751 1.00 0.00 C ATOM 0 H ILE A 581 3.791 -3.163 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 581 4.955 -1.236 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 581 5.463 -3.896 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 581 5.801 -4.491 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 581 6.522 -2.946 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 581 7.816 -4.079 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 581 7.494 -3.036 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 581 7.880 -2.309 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 581 4.320 -3.147 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 581 4.418 -1.859 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 581 3.686 -3.427 0.171 1.00 0.00 H new ATOM 657 N LYS A 582 5.848 -1.462 -3.712 1.00 0.00 N ATOM 658 CA LYS A 582 6.381 -0.726 -4.806 1.00 0.00 C ATOM 659 C LYS A 582 5.564 0.534 -4.897 1.00 0.00 C ATOM 660 O LYS A 582 6.092 1.573 -4.811 1.00 0.00 O ATOM 661 CB LYS A 582 6.293 -1.558 -6.116 1.00 0.00 C ATOM 662 CG LYS A 582 7.189 -1.084 -7.284 1.00 0.00 C ATOM 663 CD LYS A 582 6.790 0.267 -7.892 1.00 0.00 C ATOM 664 CE LYS A 582 5.439 0.212 -8.593 1.00 0.00 C ATOM 665 NZ LYS A 582 5.101 1.499 -9.239 1.00 0.00 N ATOM 0 H LYS A 582 5.509 -2.392 -3.961 1.00 0.00 H new ATOM 0 HA LYS A 582 7.436 -0.493 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 582 6.550 -2.592 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 582 5.257 -1.555 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 582 8.218 -1.018 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 582 7.169 -1.840 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 582 6.758 1.021 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 582 7.553 0.582 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 582 5.451 -0.579 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 582 4.665 -0.046 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 582 4.175 1.421 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 582 5.065 2.249 -8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 582 5.826 1.733 -9.947 1.00 0.00 H new ATOM 679 N GLY A 583 4.254 0.380 -4.960 1.00 0.00 N ATOM 680 CA GLY A 583 3.330 1.488 -5.051 1.00 0.00 C ATOM 681 C GLY A 583 3.584 2.598 -4.058 1.00 0.00 C ATOM 682 O GLY A 583 3.803 3.730 -4.468 1.00 0.00 O ATOM 0 H GLY A 583 3.799 -0.533 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 583 3.376 1.901 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 583 2.317 1.113 -4.906 1.00 0.00 H new ATOM 686 N PHE A 584 3.539 2.289 -2.759 1.00 0.00 N ATOM 687 CA PHE A 584 3.869 3.246 -1.733 1.00 0.00 C ATOM 688 C PHE A 584 5.243 3.802 -1.944 1.00 0.00 C ATOM 689 O PHE A 584 5.408 4.969 -2.194 1.00 0.00 O ATOM 690 CB PHE A 584 3.797 2.585 -0.353 1.00 0.00 C ATOM 691 CG PHE A 584 4.525 3.338 0.748 1.00 0.00 C ATOM 692 CD1 PHE A 584 4.132 4.612 1.132 1.00 0.00 C ATOM 693 CD2 PHE A 584 5.595 2.748 1.405 1.00 0.00 C ATOM 694 CE1 PHE A 584 4.791 5.272 2.143 1.00 0.00 C ATOM 695 CE2 PHE A 584 6.257 3.409 2.413 1.00 0.00 C ATOM 696 CZ PHE A 584 5.854 4.673 2.781 1.00 0.00 C ATOM 0 H PHE A 584 3.273 1.370 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 584 3.147 4.061 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 584 2.750 2.477 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 584 4.213 1.580 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 584 3.302 5.089 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 584 5.913 1.756 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 584 4.474 6.262 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 584 7.090 2.938 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 584 6.372 5.195 3.571 1.00 0.00 H new ATOM 706 N GLN A 585 6.197 2.939 -1.950 1.00 0.00 N ATOM 707 CA GLN A 585 7.567 3.319 -1.942 1.00 0.00 C ATOM 708 C GLN A 585 8.062 3.850 -3.326 1.00 0.00 C ATOM 709 O GLN A 585 9.229 4.201 -3.516 1.00 0.00 O ATOM 710 CB GLN A 585 8.350 2.187 -1.189 1.00 0.00 C ATOM 711 CG GLN A 585 9.483 1.408 -1.817 1.00 0.00 C ATOM 712 CD GLN A 585 9.186 0.646 -3.088 1.00 0.00 C ATOM 713 OE1 GLN A 585 9.265 1.166 -4.196 1.00 0.00 O ATOM 714 NE2 GLN A 585 8.959 -0.619 -2.933 1.00 0.00 N ATOM 0 H GLN A 585 6.045 1.930 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 585 7.773 4.223 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 585 8.752 2.640 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 585 7.607 1.453 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 585 10.295 2.104 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 585 9.853 0.698 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 585 8.900 -1.015 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 585 8.839 -1.219 -3.749 1.00 0.00 H new ATOM 723 N SER A 586 7.104 3.947 -4.253 1.00 0.00 N ATOM 724 CA SER A 586 7.246 4.561 -5.552 1.00 0.00 C ATOM 725 C SER A 586 6.487 5.909 -5.603 1.00 0.00 C ATOM 726 O SER A 586 7.067 6.951 -5.905 1.00 0.00 O ATOM 727 CB SER A 586 6.675 3.611 -6.641 1.00 0.00 C ATOM 728 OG SER A 586 6.784 4.152 -7.948 1.00 0.00 O ATOM 0 H SER A 586 6.166 3.577 -4.098 1.00 0.00 H new ATOM 0 HA SER A 586 8.305 4.745 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 586 7.204 2.659 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 586 5.627 3.403 -6.424 1.00 0.00 H new ATOM 0 HG SER A 586 6.722 3.430 -8.607 1.00 0.00 H new ATOM 734 N SER A 587 5.210 5.880 -5.263 1.00 0.00 N ATOM 735 CA SER A 587 4.314 7.019 -5.434 1.00 0.00 C ATOM 736 C SER A 587 4.005 7.775 -4.150 1.00 0.00 C ATOM 737 O SER A 587 3.116 8.626 -4.131 1.00 0.00 O ATOM 738 CB SER A 587 3.016 6.524 -6.002 1.00 0.00 C ATOM 739 OG SER A 587 3.178 6.007 -7.315 1.00 0.00 O ATOM 0 H SER A 587 4.759 5.060 -4.857 1.00 0.00 H new ATOM 0 HA SER A 587 4.829 7.716 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 587 2.608 5.749 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 587 2.292 7.339 -6.019 1.00 0.00 H new ATOM 0 HG SER A 587 2.313 5.693 -7.652 1.00 0.00 H new ATOM 745 N MET A 588 4.716 7.485 -3.112 1.00 0.00 N ATOM 746 CA MET A 588 4.498 8.116 -1.795 1.00 0.00 C ATOM 747 C MET A 588 4.606 9.640 -1.802 1.00 0.00 C ATOM 748 O MET A 588 4.067 10.302 -0.920 1.00 0.00 O ATOM 749 CB MET A 588 5.357 7.501 -0.705 1.00 0.00 C ATOM 750 CG MET A 588 6.862 7.618 -0.917 1.00 0.00 C ATOM 751 SD MET A 588 7.811 6.729 0.340 1.00 0.00 S ATOM 752 CE MET A 588 9.478 6.942 -0.287 1.00 0.00 C ATOM 0 H MET A 588 5.475 6.804 -3.124 1.00 0.00 H new ATOM 0 HA MET A 588 3.457 7.897 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 588 5.103 7.973 0.244 1.00 0.00 H new ATOM 0 HB3 MET A 588 5.100 6.445 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 588 7.118 7.229 -1.903 1.00 0.00 H new ATOM 0 HG3 MET A 588 7.146 8.670 -0.905 1.00 0.00 H new ATOM 0 HE1 MET A 588 10.184 6.448 0.381 1.00 0.00 H new ATOM 0 HE2 MET A 588 9.551 6.503 -1.282 1.00 0.00 H new ATOM 0 HE3 MET A 588 9.713 8.005 -0.341 1.00 0.00 H new ATOM 762 N ASN A 589 5.271 10.190 -2.802 1.00 0.00 N ATOM 763 CA ASN A 589 5.344 11.644 -2.986 1.00 0.00 C ATOM 764 C ASN A 589 3.946 12.222 -3.274 1.00 0.00 C ATOM 765 O ASN A 589 3.690 13.402 -3.039 1.00 0.00 O ATOM 766 CB ASN A 589 6.320 12.030 -4.128 1.00 0.00 C ATOM 767 CG ASN A 589 5.875 11.571 -5.524 1.00 0.00 C ATOM 768 OD1 ASN A 589 5.164 12.276 -6.227 1.00 0.00 O ATOM 769 ND2 ASN A 589 6.298 10.398 -5.929 1.00 0.00 N ATOM 0 H ASN A 589 5.775 9.654 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 589 5.726 12.070 -2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 589 6.440 13.113 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 589 7.299 11.602 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 589 6.035 10.052 -6.852 1.00 0.00 H new ATOM 0 HD22 ASN A 589 6.890 9.832 -5.321 1.00 0.00 H new ATOM 776 N GLY A 590 3.053 11.374 -3.761 1.00 0.00 N ATOM 777 CA GLY A 590 1.714 11.792 -4.070 1.00 0.00 C ATOM 778 C GLY A 590 0.705 11.248 -3.080 1.00 0.00 C ATOM 779 O GLY A 590 -0.504 11.425 -3.255 1.00 0.00 O ATOM 0 H GLY A 590 3.243 10.389 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 590 1.666 12.881 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 590 1.453 11.458 -5.074 1.00 0.00 H new ATOM 783 N ILE A 591 1.178 10.561 -2.051 1.00 0.00 N ATOM 784 CA ILE A 591 0.283 10.054 -1.021 1.00 0.00 C ATOM 785 C ILE A 591 0.237 11.090 0.079 1.00 0.00 C ATOM 786 O ILE A 591 1.283 11.440 0.646 1.00 0.00 O ATOM 787 CB ILE A 591 0.731 8.687 -0.407 1.00 0.00 C ATOM 788 CG1 ILE A 591 1.151 7.694 -1.497 1.00 0.00 C ATOM 789 CG2 ILE A 591 -0.440 8.081 0.395 1.00 0.00 C ATOM 790 CD1 ILE A 591 0.040 7.281 -2.411 1.00 0.00 C ATOM 0 H ILE A 591 2.164 10.343 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 591 -0.689 9.876 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 591 1.587 8.872 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 591 1.949 8.140 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 591 1.566 6.805 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 591 -0.132 7.128 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 591 -0.725 8.764 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 591 -1.291 7.922 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 591 0.421 6.578 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 591 -0.750 6.804 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 591 -0.361 8.160 -2.916 1.00 0.00 H new ATOM 802 N PRO A 592 -0.944 11.640 0.353 1.00 0.00 N ATOM 803 CA PRO A 592 -1.133 12.665 1.381 1.00 0.00 C ATOM 804 C PRO A 592 -0.613 12.224 2.763 1.00 0.00 C ATOM 805 O PRO A 592 -0.594 11.030 3.097 1.00 0.00 O ATOM 806 CB PRO A 592 -2.654 12.855 1.411 1.00 0.00 C ATOM 807 CG PRO A 592 -3.209 11.661 0.706 1.00 0.00 C ATOM 808 CD PRO A 592 -2.211 11.322 -0.327 1.00 0.00 C ATOM 0 HA PRO A 592 -0.578 13.576 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 592 -3.024 12.916 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 592 -2.946 13.779 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 592 -3.359 10.831 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 592 -4.178 11.883 0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 592 -2.265 10.273 -0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 592 -2.346 11.912 -1.234 1.00 0.00 H new ATOM 816 N ARG A 593 -0.217 13.173 3.569 1.00 0.00 N ATOM 817 CA ARG A 593 0.358 12.878 4.876 1.00 0.00 C ATOM 818 C ARG A 593 -0.715 12.602 5.929 1.00 0.00 C ATOM 819 O ARG A 593 -0.445 12.296 7.074 1.00 0.00 O ATOM 820 CB ARG A 593 1.429 13.917 5.268 1.00 0.00 C ATOM 821 CG ARG A 593 2.128 13.684 6.597 1.00 0.00 C ATOM 822 CD ARG A 593 3.368 14.550 6.740 1.00 0.00 C ATOM 823 NE ARG A 593 3.106 15.990 6.592 1.00 0.00 N ATOM 824 CZ ARG A 593 4.059 16.931 6.601 1.00 0.00 C ATOM 825 NH1 ARG A 593 5.329 16.587 6.791 1.00 0.00 N ATOM 826 NH2 ARG A 593 3.745 18.211 6.434 1.00 0.00 N ATOM 0 H ARG A 593 -0.278 14.167 3.351 1.00 0.00 H new ATOM 0 HA ARG A 593 0.903 11.936 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 593 2.184 13.945 4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 593 0.960 14.901 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 593 1.438 13.899 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 593 2.406 12.634 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 593 3.815 14.370 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 593 4.101 14.245 5.993 1.00 0.00 H new ATOM 0 HE ARG A 593 2.138 16.290 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 593 5.577 15.607 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 593 6.056 17.303 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 593 2.772 18.484 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 593 4.477 18.921 6.442 1.00 0.00 H new ATOM 840 N GLU A 594 -1.920 12.656 5.498 1.00 0.00 N ATOM 841 CA GLU A 594 -3.047 12.199 6.279 1.00 0.00 C ATOM 842 C GLU A 594 -3.158 10.688 6.092 1.00 0.00 C ATOM 843 O GLU A 594 -3.972 10.031 6.727 1.00 0.00 O ATOM 844 CB GLU A 594 -4.266 12.823 5.744 1.00 0.00 C ATOM 845 CG GLU A 594 -4.360 12.520 4.316 1.00 0.00 C ATOM 846 CD GLU A 594 -5.548 13.138 3.667 1.00 0.00 C ATOM 847 OE1 GLU A 594 -6.625 12.533 3.723 1.00 0.00 O ATOM 848 OE2 GLU A 594 -5.428 14.241 3.101 1.00 0.00 O ATOM 0 H GLU A 594 -2.173 13.022 4.580 1.00 0.00 H new ATOM 0 HA GLU A 594 -2.922 12.454 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 594 -5.144 12.447 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 594 -4.238 13.901 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 594 -3.457 12.870 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 594 -4.401 11.439 4.182 1.00 0.00 H new ATOM 855 N ALA A 595 -2.407 10.178 5.105 1.00 0.00 N ATOM 856 CA ALA A 595 -2.255 8.784 4.917 1.00 0.00 C ATOM 857 C ALA A 595 -1.004 8.406 5.572 1.00 0.00 C ATOM 858 O ALA A 595 -0.963 7.463 6.267 1.00 0.00 O ATOM 859 CB ALA A 595 -2.173 8.407 3.491 1.00 0.00 C ATOM 0 H ALA A 595 -1.899 10.748 4.429 1.00 0.00 H new ATOM 0 HA ALA A 595 -3.124 8.274 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -2.057 7.326 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -3.085 8.715 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.316 8.901 3.033 1.00 0.00 H new ATOM 865 N PHE A 596 0.036 9.170 5.342 1.00 0.00 N ATOM 866 CA PHE A 596 1.284 8.951 6.061 1.00 0.00 C ATOM 867 C PHE A 596 1.082 9.022 7.550 1.00 0.00 C ATOM 868 O PHE A 596 1.848 8.446 8.304 1.00 0.00 O ATOM 869 CB PHE A 596 2.343 9.905 5.646 1.00 0.00 C ATOM 870 CG PHE A 596 3.179 9.429 4.513 1.00 0.00 C ATOM 871 CD1 PHE A 596 2.743 9.522 3.200 1.00 0.00 C ATOM 872 CD2 PHE A 596 4.436 8.915 4.765 1.00 0.00 C ATOM 873 CE1 PHE A 596 3.552 9.118 2.169 1.00 0.00 C ATOM 874 CE2 PHE A 596 5.243 8.501 3.737 1.00 0.00 C ATOM 875 CZ PHE A 596 4.804 8.609 2.439 1.00 0.00 C ATOM 0 H PHE A 596 0.052 9.941 4.674 1.00 0.00 H new ATOM 0 HA PHE A 596 1.616 7.946 5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 596 1.877 10.850 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 596 2.989 10.108 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 596 1.760 9.915 2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 596 4.787 8.838 5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 596 3.209 9.198 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 596 6.220 8.091 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 596 5.443 8.294 1.627 1.00 0.00 H new ATOM 885 N VAL A 597 0.023 9.740 7.954 1.00 0.00 N ATOM 886 CA VAL A 597 -0.457 9.789 9.322 1.00 0.00 C ATOM 887 C VAL A 597 0.669 10.089 10.319 1.00 0.00 C ATOM 888 O VAL A 597 1.501 10.950 10.060 1.00 0.00 O ATOM 889 CB VAL A 597 -1.352 8.511 9.693 1.00 0.00 C ATOM 890 CG1 VAL A 597 -2.492 8.485 8.778 1.00 0.00 C ATOM 891 CG2 VAL A 597 -0.698 7.182 9.430 1.00 0.00 C ATOM 0 H VAL A 597 -0.529 10.312 7.315 1.00 0.00 H new ATOM 0 HA VAL A 597 -1.135 10.638 9.404 1.00 0.00 H new ATOM 0 HB VAL A 597 -1.571 8.618 10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 597 -3.122 7.625 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 597 -3.073 9.400 8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 597 -2.133 8.411 7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 597 -1.379 6.379 9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 597 -0.457 7.098 8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 597 0.217 7.104 10.017 1.00 0.00 H new