USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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 79 ASN : amide:sc= 0.53 K(o=0.85,f=-1.6) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 0.465 K(o=0.85,f=-4!) USER MOD Set 1.3: B 617 HIS : no HD1:sc= -0.148 X(o=0.85,f=1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 542 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.88) USER MOD Single : B 546 THR OG1 : rot 180:sc= 0 USER MOD Single : B 548 SER OG : rot 180:sc= 0 USER MOD Single : B 549 MET CE :methyl -153:sc= -0.12 (180deg=-1.04) USER MOD Single : B 552 SER OG : rot 180:sc= 0 USER MOD Single : B 556 GLN : amide:sc=-0.000743 X(o=-0.00074,f=0) USER MOD Single : B 558 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.27) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.6!) USER MOD Single : B 561 MET CE :methyl -164:sc= -1.93 (180deg=-2.29) USER MOD Single : B 571 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -145:sc= -1.36 (180deg=-2.18!) USER MOD Single : B 582 THR OG1 : rot 85:sc= 1.24 USER MOD Single : B 584 MET CE :methyl -166:sc= -0.428 (180deg=-0.727) USER MOD Single : B 590 ASN : amide:sc= -0.835 K(o=-0.84,f=-2.3!) 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 164:sc= -0.0718 (180deg=-0.557) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 615 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.9!) USER MOD Single : B 618 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 620 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0263) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 73 1.149 1.352 -2.527 1.00 0.00 N ATOM 2 CA ALA A 73 0.962 -0.063 -2.822 1.00 0.00 C ATOM 3 C ALA A 73 2.232 -0.675 -3.404 1.00 0.00 C ATOM 4 O ALA A 73 2.178 -1.461 -4.350 1.00 0.00 O ATOM 5 CB ALA A 73 -0.205 -0.253 -3.781 1.00 0.00 C ATOM 0 HA ALA A 73 0.737 -0.577 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.333 -1.315 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.116 0.139 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.003 0.280 -4.710 1.00 0.00 H new ATOM 11 N LYS A 74 3.374 -0.309 -2.833 1.00 0.00 N ATOM 12 CA LYS A 74 4.659 -0.822 -3.294 1.00 0.00 C ATOM 13 C LYS A 74 4.903 -0.448 -4.753 1.00 0.00 C ATOM 14 O LYS A 74 4.831 -1.284 -5.654 1.00 0.00 O ATOM 15 CB LYS A 74 4.712 -2.343 -3.131 1.00 0.00 C ATOM 16 CG LYS A 74 4.389 -2.815 -1.724 1.00 0.00 C ATOM 17 CD LYS A 74 5.562 -2.603 -0.782 1.00 0.00 C ATOM 18 CE LYS A 74 5.488 -3.536 0.418 1.00 0.00 C ATOM 19 NZ LYS A 74 4.430 -3.120 1.379 1.00 0.00 N ATOM 0 H LYS A 74 3.436 0.341 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 74 5.442 -0.369 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.010 -2.800 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.707 -2.695 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.518 -2.277 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.125 -3.872 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.496 -2.771 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.573 -1.568 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.289 -4.552 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.453 -3.553 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.411 -3.780 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.633 -2.160 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.506 -3.128 0.903 1.00 0.00 H new ATOM 33 N PRO A 75 5.199 0.838 -4.993 1.00 0.00 N ATOM 34 CA PRO A 75 5.462 1.352 -6.341 1.00 0.00 C ATOM 35 C PRO A 75 6.781 0.839 -6.910 1.00 0.00 C ATOM 36 O PRO A 75 7.067 1.015 -8.094 1.00 0.00 O ATOM 37 CB PRO A 75 5.520 2.868 -6.138 1.00 0.00 C ATOM 38 CG PRO A 75 5.914 3.044 -4.712 1.00 0.00 C ATOM 39 CD PRO A 75 5.302 1.890 -3.967 1.00 0.00 C ATOM 0 HA PRO A 75 4.702 1.033 -7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.244 3.330 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.555 3.332 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.999 3.047 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.553 3.996 -4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.926 1.576 -3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.326 2.149 -3.557 1.00 0.00 H new ATOM 47 N PHE A 76 7.580 0.205 -6.059 1.00 0.00 N ATOM 48 CA PHE A 76 8.869 -0.333 -6.477 1.00 0.00 C ATOM 49 C PHE A 76 8.883 -1.855 -6.373 1.00 0.00 C ATOM 50 O PHE A 76 9.584 -2.534 -7.124 1.00 0.00 O ATOM 51 CB PHE A 76 9.993 0.258 -5.624 1.00 0.00 C ATOM 52 CG PHE A 76 11.322 -0.408 -5.838 1.00 0.00 C ATOM 53 CD1 PHE A 76 11.789 -0.656 -7.119 1.00 0.00 C ATOM 54 CD2 PHE A 76 12.105 -0.786 -4.759 1.00 0.00 C ATOM 55 CE1 PHE A 76 13.011 -1.270 -7.319 1.00 0.00 C ATOM 56 CE2 PHE A 76 13.328 -1.400 -4.952 1.00 0.00 C ATOM 57 CZ PHE A 76 13.782 -1.641 -6.234 1.00 0.00 C ATOM 0 H PHE A 76 7.358 0.051 -5.075 1.00 0.00 H new ATOM 0 HA PHE A 76 9.029 -0.056 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.088 1.320 -5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.720 0.177 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.191 -0.366 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.755 -0.598 -3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.363 -1.460 -8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.928 -1.691 -4.102 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.738 -2.119 -6.388 1.00 0.00 H new ATOM 67 N VAL A 77 8.104 -2.386 -5.436 1.00 0.00 N ATOM 68 CA VAL A 77 8.025 -3.828 -5.233 1.00 0.00 C ATOM 69 C VAL A 77 9.379 -4.489 -5.463 1.00 0.00 C ATOM 70 O VAL A 77 9.639 -5.081 -6.511 1.00 0.00 O ATOM 71 CB VAL A 77 6.986 -4.471 -6.171 1.00 0.00 C ATOM 72 CG1 VAL A 77 7.188 -3.992 -7.600 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.064 -5.988 -6.092 1.00 0.00 C ATOM 0 H VAL A 77 7.518 -1.839 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 77 7.717 -3.986 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 77 5.991 -4.164 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.445 -4.457 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.077 -2.908 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.187 -4.267 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.323 -6.426 -6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.060 -6.317 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.865 -6.310 -5.070 1.00 0.00 H new ATOM 83 N PRO A 78 10.264 -4.389 -4.460 1.00 0.00 N ATOM 84 CA PRO A 78 11.607 -4.973 -4.528 1.00 0.00 C ATOM 85 C PRO A 78 11.579 -6.497 -4.482 1.00 0.00 C ATOM 86 O PRO A 78 10.552 -7.099 -4.173 1.00 0.00 O ATOM 87 CB PRO A 78 12.301 -4.413 -3.284 1.00 0.00 C ATOM 88 CG PRO A 78 11.193 -4.114 -2.334 1.00 0.00 C ATOM 89 CD PRO A 78 10.022 -3.699 -3.182 1.00 0.00 C ATOM 0 HA PRO A 78 12.112 -4.726 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.000 -5.135 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.873 -3.516 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.948 -4.989 -1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.475 -3.320 -1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.075 -4.002 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.982 -2.617 -3.311 1.00 0.00 H new ATOM 97 N ASN A 79 12.715 -7.115 -4.790 1.00 0.00 N ATOM 98 CA ASN A 79 12.820 -8.569 -4.784 1.00 0.00 C ATOM 99 C ASN A 79 13.542 -9.057 -3.531 1.00 0.00 C ATOM 100 O ASN A 79 14.770 -9.032 -3.459 1.00 0.00 O ATOM 101 CB ASN A 79 13.560 -9.053 -6.032 1.00 0.00 C ATOM 102 CG ASN A 79 13.188 -10.474 -6.410 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.575 -11.197 -5.625 1.00 0.00 O ATOM 104 ND2 ASN A 79 13.560 -10.882 -7.618 1.00 0.00 N ATOM 0 H ASN A 79 13.575 -6.631 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 79 11.811 -8.981 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.335 -8.387 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.635 -8.995 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.339 -11.829 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.067 -10.249 -8.237 1.00 0.00 H new ATOM 111 N VAL A 80 12.769 -9.502 -2.545 1.00 0.00 N ATOM 112 CA VAL A 80 13.333 -9.997 -1.295 1.00 0.00 C ATOM 113 C VAL A 80 14.304 -11.145 -1.547 1.00 0.00 C ATOM 114 O VAL A 80 15.210 -11.392 -0.751 1.00 0.00 O ATOM 115 CB VAL A 80 12.230 -10.475 -0.332 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.229 -11.357 -1.061 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.840 -11.211 0.852 1.00 0.00 C ATOM 0 H VAL A 80 11.750 -9.530 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 80 13.869 -9.165 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 80 11.699 -9.602 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.458 -11.685 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.769 -10.792 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.742 -12.227 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.047 -11.542 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.397 -12.077 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.513 -10.542 1.388 1.00 0.00 H new ATOM 127 N HIS A 81 14.109 -11.843 -2.661 1.00 0.00 N ATOM 128 CA HIS A 81 14.969 -12.966 -3.020 1.00 0.00 C ATOM 129 C HIS A 81 16.323 -12.474 -3.522 1.00 0.00 C ATOM 130 O HIS A 81 17.221 -13.270 -3.795 1.00 0.00 O ATOM 131 CB HIS A 81 14.298 -13.828 -4.090 1.00 0.00 C ATOM 132 CG HIS A 81 12.913 -14.266 -3.724 1.00 0.00 C ATOM 133 ND1 HIS A 81 11.782 -13.566 -4.089 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.480 -15.340 -3.024 1.00 0.00 C ATOM 135 CE1 HIS A 81 10.713 -14.190 -3.627 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.110 -15.270 -2.978 1.00 0.00 N ATOM 0 H HIS A 81 13.364 -11.651 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 81 15.130 -13.569 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.258 -13.268 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.913 -14.709 -4.273 1.00 0.00 H new ATOM 0 HD1 HIS A 81 11.772 -12.702 -4.631 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.097 -16.109 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.689 -13.872 -3.758 1.00 0.00 H new ATOM 144 N ALA A 82 16.462 -11.157 -3.641 1.00 0.00 N ATOM 145 CA ALA A 82 17.707 -10.560 -4.109 1.00 0.00 C ATOM 146 C ALA A 82 18.902 -11.105 -3.335 1.00 0.00 C ATOM 147 O ALA A 82 18.741 -11.767 -2.311 1.00 0.00 O ATOM 148 CB ALA A 82 17.643 -9.045 -3.988 1.00 0.00 C ATOM 0 H ALA A 82 15.728 -10.484 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 82 17.837 -10.825 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.579 -8.612 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.818 -8.666 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.486 -8.770 -2.945 1.00 0.00 H new ATOM 154 N ALA A 83 20.102 -10.821 -3.832 1.00 0.00 N ATOM 155 CA ALA A 83 21.325 -11.282 -3.185 1.00 0.00 C ATOM 156 C ALA A 83 22.165 -10.106 -2.699 1.00 0.00 C ATOM 157 O ALA A 83 22.078 -9.004 -3.239 1.00 0.00 O ATOM 158 CB ALA A 83 22.131 -12.150 -4.140 1.00 0.00 C ATOM 0 H ALA A 83 20.253 -10.274 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 83 21.046 -11.879 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.041 -12.487 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.537 -13.015 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.393 -11.570 -5.025 1.00 0.00 H new ATOM 164 N GLU A 84 22.978 -10.349 -1.675 1.00 0.00 N ATOM 165 CA GLU A 84 23.832 -9.308 -1.116 1.00 0.00 C ATOM 166 C GLU A 84 24.652 -8.630 -2.210 1.00 0.00 C ATOM 167 O GLU A 84 24.722 -9.116 -3.339 1.00 0.00 O ATOM 168 CB GLU A 84 24.765 -9.898 -0.056 1.00 0.00 C ATOM 169 CG GLU A 84 24.128 -10.018 1.318 1.00 0.00 C ATOM 170 CD GLU A 84 25.132 -10.370 2.398 1.00 0.00 C ATOM 171 OE1 GLU A 84 25.799 -9.448 2.912 1.00 0.00 O ATOM 172 OE2 GLU A 84 25.250 -11.568 2.730 1.00 0.00 O ATOM 0 H GLU A 84 23.063 -11.256 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 84 23.191 -8.559 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.093 -10.885 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.656 -9.274 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 84 23.642 -9.076 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 84 23.350 -10.781 1.288 1.00 0.00 H new ATOM 179 N PHE A 85 25.269 -7.505 -1.867 1.00 0.00 N ATOM 180 CA PHE A 85 26.083 -6.758 -2.820 1.00 0.00 C ATOM 181 C PHE A 85 27.564 -7.079 -2.639 1.00 0.00 C ATOM 182 O PHE A 85 28.338 -7.048 -3.595 1.00 0.00 O ATOM 183 CB PHE A 85 25.850 -5.255 -2.654 1.00 0.00 C ATOM 184 CG PHE A 85 26.959 -4.555 -1.921 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.926 -4.431 -0.542 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.033 -4.019 -2.613 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.945 -3.788 0.136 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.055 -3.374 -1.941 1.00 0.00 C ATOM 189 CZ PHE A 85 29.010 -3.257 -0.565 1.00 0.00 C ATOM 0 H PHE A 85 25.221 -7.090 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 85 25.786 -7.055 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.733 -4.802 -3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.914 -5.097 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.094 -4.842 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.072 -4.106 -3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.908 -3.701 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.888 -2.962 -2.491 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.806 -2.751 -0.039 1.00 0.00 H new ATOM 199 N VAL A 86 27.950 -7.385 -1.404 1.00 0.00 N ATOM 200 CA VAL A 86 29.337 -7.711 -1.096 1.00 0.00 C ATOM 201 C VAL A 86 29.824 -8.888 -1.935 1.00 0.00 C ATOM 202 O VAL A 86 29.042 -9.719 -2.397 1.00 0.00 O ATOM 203 CB VAL A 86 29.516 -8.049 0.396 1.00 0.00 C ATOM 204 CG1 VAL A 86 29.463 -6.785 1.240 1.00 0.00 C ATOM 205 CG2 VAL A 86 28.459 -9.046 0.846 1.00 0.00 C ATOM 0 H VAL A 86 27.322 -7.414 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 86 29.930 -6.828 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 86 30.496 -8.507 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 86 29.591 -7.044 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 86 30.261 -6.109 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.499 -6.295 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 86 28.600 -9.274 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 86 27.468 -8.618 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 86 28.551 -9.962 0.262 1.00 0.00 H new ATOM 215 N PRO A 87 31.148 -8.963 -2.136 1.00 0.00 N ATOM 216 CA PRO A 87 31.770 -10.035 -2.919 1.00 0.00 C ATOM 217 C PRO A 87 31.703 -11.384 -2.212 1.00 0.00 C ATOM 218 O PRO A 87 32.060 -11.499 -1.039 1.00 0.00 O ATOM 219 CB PRO A 87 33.224 -9.575 -3.058 1.00 0.00 C ATOM 220 CG PRO A 87 33.454 -8.688 -1.883 1.00 0.00 C ATOM 221 CD PRO A 87 32.140 -8.007 -1.615 1.00 0.00 C ATOM 0 HA PRO A 87 31.264 -10.189 -3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 87 33.909 -10.422 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 87 33.382 -9.041 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 87 33.779 -9.264 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 87 34.236 -7.958 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 87 31.995 -7.817 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 87 32.075 -7.044 -2.122 1.00 0.00 H new ATOM 229 N SER A 88 31.242 -12.402 -2.931 1.00 0.00 N ATOM 230 CA SER A 88 31.125 -13.743 -2.371 1.00 0.00 C ATOM 231 C SER A 88 32.502 -14.352 -2.127 1.00 0.00 C ATOM 232 O SER A 88 33.228 -14.672 -3.070 1.00 0.00 O ATOM 233 CB SER A 88 30.316 -14.642 -3.308 1.00 0.00 C ATOM 234 OG SER A 88 30.060 -15.901 -2.711 1.00 0.00 O ATOM 0 H SER A 88 30.943 -12.324 -3.903 1.00 0.00 H new ATOM 0 HA SER A 88 30.606 -13.666 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.373 -14.156 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 88 30.860 -14.783 -4.242 1.00 0.00 H new ATOM 0 HG SER A 88 29.540 -16.456 -3.329 1.00 0.00 H new ATOM 240 N PHE A 89 32.856 -14.511 -0.856 1.00 0.00 N ATOM 241 CA PHE A 89 34.147 -15.081 -0.487 1.00 0.00 C ATOM 242 C PHE A 89 33.971 -16.228 0.504 1.00 0.00 C ATOM 243 O PHE A 89 32.858 -16.518 0.944 1.00 0.00 O ATOM 244 CB PHE A 89 35.050 -14.004 0.117 1.00 0.00 C ATOM 245 CG PHE A 89 34.725 -13.682 1.547 1.00 0.00 C ATOM 246 CD1 PHE A 89 33.635 -12.887 1.862 1.00 0.00 C ATOM 247 CD2 PHE A 89 35.510 -14.175 2.578 1.00 0.00 C ATOM 248 CE1 PHE A 89 33.335 -12.589 3.178 1.00 0.00 C ATOM 249 CE2 PHE A 89 35.214 -13.881 3.895 1.00 0.00 C ATOM 250 CZ PHE A 89 34.124 -13.087 4.196 1.00 0.00 C ATOM 0 H PHE A 89 32.267 -14.253 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 89 34.615 -15.473 -1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 89 36.087 -14.333 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 89 34.967 -13.095 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 89 33.013 -12.496 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 89 36.363 -14.796 2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 89 32.483 -11.967 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 89 35.834 -14.271 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.890 -12.856 5.225 1.00 0.00 H new ATOM 260 N LEU A 90 35.078 -16.877 0.850 1.00 0.00 N ATOM 261 CA LEU A 90 35.048 -17.993 1.789 1.00 0.00 C ATOM 262 C LEU A 90 34.116 -19.095 1.295 1.00 0.00 C ATOM 263 O LEU A 90 32.907 -19.048 1.521 1.00 0.00 O ATOM 264 CB LEU A 90 34.599 -17.512 3.170 1.00 0.00 C ATOM 265 CG LEU A 90 35.600 -17.713 4.308 1.00 0.00 C ATOM 266 CD1 LEU A 90 36.948 -17.108 3.947 1.00 0.00 C ATOM 267 CD2 LEU A 90 35.070 -17.105 5.598 1.00 0.00 C ATOM 0 H LEU A 90 36.007 -16.650 0.495 1.00 0.00 H new ATOM 0 HA LEU A 90 36.056 -18.400 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 90 34.363 -16.450 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 90 33.675 -18.028 3.430 1.00 0.00 H new ATOM 0 HG LEU A 90 35.735 -18.784 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 90 37.647 -17.261 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 90 37.334 -17.589 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 90 36.830 -16.040 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 90 35.795 -17.258 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 90 34.906 -16.037 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 90 34.129 -17.584 5.866 1.00 0.00 H new ATOM 279 N ARG A 91 34.688 -20.088 0.621 1.00 0.00 N ATOM 280 CA ARG A 91 33.909 -21.203 0.096 1.00 0.00 C ATOM 281 C ARG A 91 33.456 -22.128 1.222 1.00 0.00 C ATOM 282 O ARG A 91 33.809 -21.927 2.383 1.00 0.00 O ATOM 283 CB ARG A 91 34.731 -21.990 -0.927 1.00 0.00 C ATOM 284 CG ARG A 91 35.638 -23.037 -0.302 1.00 0.00 C ATOM 285 CD ARG A 91 36.620 -22.411 0.676 1.00 0.00 C ATOM 286 NE ARG A 91 37.761 -23.283 0.941 1.00 0.00 N ATOM 287 CZ ARG A 91 38.729 -23.514 0.062 1.00 0.00 C ATOM 288 NH1 ARG A 91 38.695 -22.939 -1.133 1.00 0.00 N ATOM 289 NH2 ARG A 91 39.735 -24.320 0.376 1.00 0.00 N ATOM 0 H ARG A 91 35.688 -20.143 0.426 1.00 0.00 H new ATOM 0 HA ARG A 91 33.024 -20.797 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 91 34.053 -22.479 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 91 35.338 -21.294 -1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 91 35.033 -23.782 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 91 36.186 -23.559 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 91 36.975 -21.462 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 91 36.108 -22.190 1.612 1.00 0.00 H new ATOM 0 HE ARG A 91 37.817 -23.740 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 91 37.924 -22.318 -1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 91 39.440 -23.118 -1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 91 39.766 -24.763 1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 91 40.478 -24.496 -0.301 1.00 0.00 H new ATOM 303 N GLY A 92 32.673 -23.142 0.868 1.00 0.00 N ATOM 304 CA GLY A 92 32.184 -24.083 1.860 1.00 0.00 C ATOM 305 C GLY A 92 31.118 -23.481 2.754 1.00 0.00 C ATOM 306 O GLY A 92 30.802 -22.294 2.667 1.00 0.00 O ATOM 0 H GLY A 92 32.368 -23.329 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 92 31.778 -24.960 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 92 33.017 -24.425 2.473 1.00 0.00 H new ATOM 310 N PRO A 93 30.542 -24.311 3.636 1.00 0.00 N ATOM 311 CA PRO A 93 29.495 -23.877 4.565 1.00 0.00 C ATOM 312 C PRO A 93 30.030 -22.943 5.645 1.00 0.00 C ATOM 313 O PRO A 93 29.296 -22.113 6.180 1.00 0.00 O ATOM 314 CB PRO A 93 29.005 -25.187 5.186 1.00 0.00 C ATOM 315 CG PRO A 93 30.162 -26.119 5.065 1.00 0.00 C ATOM 316 CD PRO A 93 30.869 -25.738 3.794 1.00 0.00 C ATOM 0 HA PRO A 93 28.712 -23.310 4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 93 28.716 -25.048 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 93 28.130 -25.571 4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 93 30.827 -26.029 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 93 29.826 -27.155 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 93 31.945 -25.898 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 93 30.518 -26.327 2.947 1.00 0.00 H new ATOM 324 N ALA A 94 31.313 -23.084 5.961 1.00 0.00 N ATOM 325 CA ALA A 94 31.946 -22.250 6.975 1.00 0.00 C ATOM 326 C ALA A 94 32.685 -21.078 6.340 1.00 0.00 C ATOM 327 O ALA A 94 33.283 -21.247 5.278 1.00 0.00 O ATOM 328 CB ALA A 94 32.900 -23.082 7.821 1.00 0.00 C ATOM 0 H ALA A 94 31.934 -23.768 5.529 1.00 0.00 H new ATOM 0 HA ALA A 94 31.164 -21.846 7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 94 33.366 -22.447 8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 94 32.347 -23.882 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 94 33.671 -23.513 7.182 1.00 0.00 H new TER 334 ALA A 94 ATOM 335 N GLY B 541 37.873 8.109 9.886 1.00 0.00 N ATOM 336 CA GLY B 541 36.701 8.077 9.030 1.00 0.00 C ATOM 337 C GLY B 541 37.041 8.320 7.573 1.00 0.00 C ATOM 338 O GLY B 541 38.165 8.699 7.247 1.00 0.00 O ATOM 0 HA2 GLY B 541 36.209 7.109 9.129 1.00 0.00 H new ATOM 0 HA3 GLY B 541 35.990 8.832 9.365 1.00 0.00 H new ATOM 342 N GLN B 542 36.067 8.100 6.696 1.00 0.00 N ATOM 343 CA GLN B 542 36.271 8.296 5.265 1.00 0.00 C ATOM 344 C GLN B 542 35.307 9.343 4.716 1.00 0.00 C ATOM 345 O GLN B 542 34.275 9.627 5.323 1.00 0.00 O ATOM 346 CB GLN B 542 36.087 6.975 4.517 1.00 0.00 C ATOM 347 CG GLN B 542 36.776 6.942 3.162 1.00 0.00 C ATOM 348 CD GLN B 542 38.285 7.033 3.273 1.00 0.00 C ATOM 349 OE1 GLN B 542 38.877 6.570 4.249 1.00 0.00 O ATOM 350 NE2 GLN B 542 38.918 7.631 2.271 1.00 0.00 N ATOM 0 H GLN B 542 35.130 7.786 6.950 1.00 0.00 H new ATOM 0 HA GLN B 542 37.290 8.652 5.114 1.00 0.00 H new ATOM 0 HB2 GLN B 542 36.473 6.162 5.132 1.00 0.00 H new ATOM 0 HB3 GLN B 542 35.022 6.791 4.378 1.00 0.00 H new ATOM 0 HG2 GLN B 542 36.508 6.021 2.645 1.00 0.00 H new ATOM 0 HG3 GLN B 542 36.410 7.768 2.552 1.00 0.00 H new ATOM 0 HE21 GLN B 542 38.389 8.001 1.481 1.00 0.00 H new ATOM 0 HE22 GLN B 542 39.934 7.721 2.291 1.00 0.00 H new ATOM 359 N GLU B 543 35.652 9.914 3.566 1.00 0.00 N ATOM 360 CA GLU B 543 34.817 10.930 2.938 1.00 0.00 C ATOM 361 C GLU B 543 33.648 10.290 2.194 1.00 0.00 C ATOM 362 O GLU B 543 33.664 9.105 1.862 1.00 0.00 O ATOM 363 CB GLU B 543 35.647 11.778 1.972 1.00 0.00 C ATOM 364 CG GLU B 543 36.316 12.973 2.631 1.00 0.00 C ATOM 365 CD GLU B 543 37.251 13.710 1.693 1.00 0.00 C ATOM 366 OE1 GLU B 543 36.809 14.085 0.587 1.00 0.00 O ATOM 367 OE2 GLU B 543 38.426 13.911 2.065 1.00 0.00 O ATOM 0 H GLU B 543 36.504 9.690 3.051 1.00 0.00 H new ATOM 0 HA GLU B 543 34.418 11.572 3.723 1.00 0.00 H new ATOM 0 HB2 GLU B 543 36.412 11.150 1.516 1.00 0.00 H new ATOM 0 HB3 GLU B 543 35.003 12.131 1.167 1.00 0.00 H new ATOM 0 HG2 GLU B 543 35.550 13.661 2.989 1.00 0.00 H new ATOM 0 HG3 GLU B 543 36.875 12.636 3.504 1.00 0.00 H new ATOM 374 N PRO B 544 32.608 11.093 1.925 1.00 0.00 N ATOM 375 CA PRO B 544 31.411 10.628 1.218 1.00 0.00 C ATOM 376 C PRO B 544 31.685 10.329 -0.252 1.00 0.00 C ATOM 377 O PRO B 544 32.834 10.344 -0.695 1.00 0.00 O ATOM 378 CB PRO B 544 30.440 11.804 1.353 1.00 0.00 C ATOM 379 CG PRO B 544 31.314 12.998 1.533 1.00 0.00 C ATOM 380 CD PRO B 544 32.520 12.517 2.291 1.00 0.00 C ATOM 0 HA PRO B 544 31.031 9.694 1.631 1.00 0.00 H new ATOM 0 HB2 PRO B 544 29.812 11.903 0.467 1.00 0.00 H new ATOM 0 HB3 PRO B 544 29.772 11.670 2.204 1.00 0.00 H new ATOM 0 HG2 PRO B 544 31.601 13.420 0.570 1.00 0.00 H new ATOM 0 HG3 PRO B 544 30.795 13.783 2.083 1.00 0.00 H new ATOM 0 HD2 PRO B 544 33.419 13.062 2.003 1.00 0.00 H new ATOM 0 HD3 PRO B 544 32.398 12.649 3.366 1.00 0.00 H new ATOM 388 N LEU B 545 30.624 10.059 -1.004 1.00 0.00 N ATOM 389 CA LEU B 545 30.750 9.757 -2.425 1.00 0.00 C ATOM 390 C LEU B 545 30.173 10.884 -3.275 1.00 0.00 C ATOM 391 O LEU B 545 29.322 11.648 -2.818 1.00 0.00 O ATOM 392 CB LEU B 545 30.041 8.442 -2.752 1.00 0.00 C ATOM 393 CG LEU B 545 30.408 7.245 -1.874 1.00 0.00 C ATOM 394 CD1 LEU B 545 29.678 5.996 -2.342 1.00 0.00 C ATOM 395 CD2 LEU B 545 31.913 7.020 -1.880 1.00 0.00 C ATOM 0 H LEU B 545 29.666 10.043 -0.653 1.00 0.00 H new ATOM 0 HA LEU B 545 31.810 9.658 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU B 545 28.966 8.604 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU B 545 30.255 8.185 -3.789 1.00 0.00 H new ATOM 0 HG LEU B 545 30.098 7.460 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU B 545 29.952 5.155 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU B 545 28.602 6.160 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU B 545 29.956 5.777 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU B 545 32.155 6.164 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU B 545 32.248 6.827 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU B 545 32.415 7.908 -1.495 1.00 0.00 H new ATOM 407 N THR B 546 30.639 10.982 -4.516 1.00 0.00 N ATOM 408 CA THR B 546 30.169 12.015 -5.430 1.00 0.00 C ATOM 409 C THR B 546 30.219 11.534 -6.876 1.00 0.00 C ATOM 410 O THR B 546 31.019 10.665 -7.223 1.00 0.00 O ATOM 411 CB THR B 546 31.004 13.303 -5.301 1.00 0.00 C ATOM 412 OG1 THR B 546 32.384 13.020 -5.557 1.00 0.00 O ATOM 413 CG2 THR B 546 30.854 13.907 -3.913 1.00 0.00 C ATOM 0 H THR B 546 31.342 10.358 -4.911 1.00 0.00 H new ATOM 0 HA THR B 546 29.136 12.232 -5.157 1.00 0.00 H new ATOM 0 HB THR B 546 30.639 14.022 -6.035 1.00 0.00 H new ATOM 0 HG1 THR B 546 32.908 13.844 -5.475 1.00 0.00 H new ATOM 0 HG21 THR B 546 31.452 14.816 -3.845 1.00 0.00 H new ATOM 0 HG22 THR B 546 29.806 14.148 -3.732 1.00 0.00 H new ATOM 0 HG23 THR B 546 31.196 13.191 -3.166 1.00 0.00 H new ATOM 421 N ALA B 547 29.361 12.104 -7.715 1.00 0.00 N ATOM 422 CA ALA B 547 29.310 11.735 -9.124 1.00 0.00 C ATOM 423 C ALA B 547 30.692 11.814 -9.763 1.00 0.00 C ATOM 424 O ALA B 547 31.001 11.067 -10.691 1.00 0.00 O ATOM 425 CB ALA B 547 28.330 12.630 -9.869 1.00 0.00 C ATOM 0 H ALA B 547 28.691 12.824 -7.443 1.00 0.00 H new ATOM 0 HA ALA B 547 28.966 10.703 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA B 547 28.302 12.343 -10.920 1.00 0.00 H new ATOM 0 HB2 ALA B 547 27.336 12.520 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA B 547 28.650 13.669 -9.785 1.00 0.00 H new ATOM 431 N SER B 548 31.520 12.724 -9.259 1.00 0.00 N ATOM 432 CA SER B 548 32.869 12.903 -9.784 1.00 0.00 C ATOM 433 C SER B 548 33.744 11.697 -9.457 1.00 0.00 C ATOM 434 O SER B 548 34.596 11.301 -10.251 1.00 0.00 O ATOM 435 CB SER B 548 33.498 14.174 -9.210 1.00 0.00 C ATOM 436 OG SER B 548 34.733 14.463 -9.842 1.00 0.00 O ATOM 0 H SER B 548 31.281 13.348 -8.489 1.00 0.00 H new ATOM 0 HA SER B 548 32.801 12.997 -10.868 1.00 0.00 H new ATOM 0 HB2 SER B 548 32.814 15.013 -9.341 1.00 0.00 H new ATOM 0 HB3 SER B 548 33.654 14.054 -8.138 1.00 0.00 H new ATOM 0 HG SER B 548 35.113 15.281 -9.458 1.00 0.00 H new ATOM 442 N MET B 549 33.527 11.118 -8.280 1.00 0.00 N ATOM 443 CA MET B 549 34.295 9.956 -7.847 1.00 0.00 C ATOM 444 C MET B 549 33.771 8.683 -8.503 1.00 0.00 C ATOM 445 O MET B 549 34.546 7.812 -8.899 1.00 0.00 O ATOM 446 CB MET B 549 34.238 9.820 -6.324 1.00 0.00 C ATOM 447 CG MET B 549 34.929 8.571 -5.800 1.00 0.00 C ATOM 448 SD MET B 549 35.541 8.771 -4.116 1.00 0.00 S ATOM 449 CE MET B 549 35.207 7.146 -3.440 1.00 0.00 C ATOM 0 H MET B 549 32.826 11.434 -7.610 1.00 0.00 H new ATOM 0 HA MET B 549 35.331 10.101 -8.153 1.00 0.00 H new ATOM 0 HB2 MET B 549 34.699 10.698 -5.871 1.00 0.00 H new ATOM 0 HB3 MET B 549 33.195 9.809 -6.007 1.00 0.00 H new ATOM 0 HG2 MET B 549 34.231 7.734 -5.832 1.00 0.00 H new ATOM 0 HG3 MET B 549 35.761 8.318 -6.457 1.00 0.00 H new ATOM 0 HE1 MET B 549 35.066 7.222 -2.362 1.00 0.00 H new ATOM 0 HE2 MET B 549 34.304 6.741 -3.896 1.00 0.00 H new ATOM 0 HE3 MET B 549 36.048 6.485 -3.650 1.00 0.00 H new ATOM 459 N LEU B 550 32.451 8.581 -8.615 1.00 0.00 N ATOM 460 CA LEU B 550 31.823 7.413 -9.224 1.00 0.00 C ATOM 461 C LEU B 550 32.231 7.276 -10.687 1.00 0.00 C ATOM 462 O LEU B 550 32.227 6.177 -11.242 1.00 0.00 O ATOM 463 CB LEU B 550 30.300 7.513 -9.114 1.00 0.00 C ATOM 464 CG LEU B 550 29.683 6.965 -7.827 1.00 0.00 C ATOM 465 CD1 LEU B 550 29.832 5.452 -7.765 1.00 0.00 C ATOM 466 CD2 LEU B 550 30.323 7.615 -6.609 1.00 0.00 C ATOM 0 H LEU B 550 31.795 9.292 -8.292 1.00 0.00 H new ATOM 0 HA LEU B 550 32.163 6.527 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU B 550 30.017 8.561 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU B 550 29.859 6.984 -9.959 1.00 0.00 H new ATOM 0 HG LEU B 550 28.620 7.206 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU B 550 29.387 5.080 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU B 550 29.326 5.001 -8.619 1.00 0.00 H new ATOM 0 HD13 LEU B 550 30.890 5.189 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU B 550 29.871 7.213 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU B 550 31.393 7.406 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU B 550 30.164 8.693 -6.646 1.00 0.00 H new ATOM 478 N ALA B 551 32.584 8.398 -11.305 1.00 0.00 N ATOM 479 CA ALA B 551 32.999 8.402 -12.703 1.00 0.00 C ATOM 480 C ALA B 551 34.421 7.874 -12.855 1.00 0.00 C ATOM 481 O ALA B 551 34.724 7.139 -13.795 1.00 0.00 O ATOM 482 CB ALA B 551 32.890 9.805 -13.281 1.00 0.00 C ATOM 0 H ALA B 551 32.591 9.316 -10.860 1.00 0.00 H new ATOM 0 HA ALA B 551 32.333 7.740 -13.256 1.00 0.00 H new ATOM 0 HB1 ALA B 551 33.203 9.794 -14.325 1.00 0.00 H new ATOM 0 HB2 ALA B 551 31.857 10.146 -13.215 1.00 0.00 H new ATOM 0 HB3 ALA B 551 33.532 10.482 -12.717 1.00 0.00 H new ATOM 488 N SER B 552 35.291 8.254 -11.924 1.00 0.00 N ATOM 489 CA SER B 552 36.684 7.822 -11.958 1.00 0.00 C ATOM 490 C SER B 552 36.779 6.304 -12.087 1.00 0.00 C ATOM 491 O SER B 552 37.531 5.787 -12.912 1.00 0.00 O ATOM 492 CB SER B 552 37.413 8.284 -10.695 1.00 0.00 C ATOM 493 OG SER B 552 37.351 9.693 -10.557 1.00 0.00 O ATOM 0 H SER B 552 35.056 8.860 -11.138 1.00 0.00 H new ATOM 0 HA SER B 552 37.158 8.274 -12.829 1.00 0.00 H new ATOM 0 HB2 SER B 552 36.968 7.810 -9.820 1.00 0.00 H new ATOM 0 HB3 SER B 552 38.454 7.965 -10.735 1.00 0.00 H new ATOM 0 HG SER B 552 37.823 9.963 -9.741 1.00 0.00 H new ATOM 499 N ALA B 553 36.010 5.598 -11.265 1.00 0.00 N ATOM 500 CA ALA B 553 36.005 4.140 -11.288 1.00 0.00 C ATOM 501 C ALA B 553 35.082 3.611 -12.381 1.00 0.00 C ATOM 502 O ALA B 553 34.198 4.312 -12.873 1.00 0.00 O ATOM 503 CB ALA B 553 35.587 3.593 -9.931 1.00 0.00 C ATOM 0 H ALA B 553 35.383 6.011 -10.575 1.00 0.00 H new ATOM 0 HA ALA B 553 37.017 3.801 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA B 553 35.587 2.503 -9.962 1.00 0.00 H new ATOM 0 HB2 ALA B 553 36.288 3.935 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA B 553 34.586 3.949 -9.688 1.00 0.00 H new ATOM 509 N PRO B 554 35.292 2.345 -12.772 1.00 0.00 N ATOM 510 CA PRO B 554 34.489 1.695 -13.812 1.00 0.00 C ATOM 511 C PRO B 554 33.060 1.421 -13.354 1.00 0.00 C ATOM 512 O PRO B 554 32.731 1.522 -12.172 1.00 0.00 O ATOM 513 CB PRO B 554 35.231 0.380 -14.063 1.00 0.00 C ATOM 514 CG PRO B 554 35.959 0.107 -12.792 1.00 0.00 C ATOM 515 CD PRO B 554 36.328 1.452 -12.229 1.00 0.00 C ATOM 0 HA PRO B 554 34.389 2.320 -14.700 1.00 0.00 H new ATOM 0 HB2 PRO B 554 34.538 -0.426 -14.303 1.00 0.00 H new ATOM 0 HB3 PRO B 554 35.920 0.468 -14.903 1.00 0.00 H new ATOM 0 HG2 PRO B 554 35.332 -0.449 -12.095 1.00 0.00 H new ATOM 0 HG3 PRO B 554 36.848 -0.497 -12.973 1.00 0.00 H new ATOM 0 HD2 PRO B 554 36.323 1.447 -11.139 1.00 0.00 H new ATOM 0 HD3 PRO B 554 37.326 1.758 -12.541 1.00 0.00 H new ATOM 523 N PRO B 555 32.190 1.065 -14.310 1.00 0.00 N ATOM 524 CA PRO B 555 30.782 0.767 -14.028 1.00 0.00 C ATOM 525 C PRO B 555 30.609 -0.532 -13.250 1.00 0.00 C ATOM 526 O PRO B 555 29.542 -0.796 -12.694 1.00 0.00 O ATOM 527 CB PRO B 555 30.160 0.643 -15.421 1.00 0.00 C ATOM 528 CG PRO B 555 31.292 0.255 -16.308 1.00 0.00 C ATOM 529 CD PRO B 555 32.512 0.924 -15.740 1.00 0.00 C ATOM 0 HA PRO B 555 30.320 1.534 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO B 555 29.370 -0.108 -15.436 1.00 0.00 H new ATOM 0 HB3 PRO B 555 29.712 1.584 -15.740 1.00 0.00 H new ATOM 0 HG2 PRO B 555 31.416 -0.828 -16.331 1.00 0.00 H new ATOM 0 HG3 PRO B 555 31.112 0.577 -17.334 1.00 0.00 H new ATOM 0 HD2 PRO B 555 33.408 0.322 -15.893 1.00 0.00 H new ATOM 0 HD3 PRO B 555 32.694 1.891 -16.208 1.00 0.00 H new ATOM 537 N GLN B 556 31.664 -1.340 -13.213 1.00 0.00 N ATOM 538 CA GLN B 556 31.626 -2.613 -12.502 1.00 0.00 C ATOM 539 C GLN B 556 32.032 -2.433 -11.043 1.00 0.00 C ATOM 540 O GLN B 556 31.637 -3.215 -10.179 1.00 0.00 O ATOM 541 CB GLN B 556 32.550 -3.627 -13.179 1.00 0.00 C ATOM 542 CG GLN B 556 32.344 -3.729 -14.682 1.00 0.00 C ATOM 543 CD GLN B 556 33.170 -4.833 -15.310 1.00 0.00 C ATOM 544 OE1 GLN B 556 34.397 -4.844 -15.204 1.00 0.00 O ATOM 545 NE2 GLN B 556 32.501 -5.771 -15.971 1.00 0.00 N ATOM 0 H GLN B 556 32.555 -1.136 -13.666 1.00 0.00 H new ATOM 0 HA GLN B 556 30.603 -2.987 -12.532 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.586 -3.351 -12.980 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.390 -4.608 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN B 556 31.289 -3.907 -14.889 1.00 0.00 H new ATOM 0 HG3 GLN B 556 32.604 -2.777 -15.146 1.00 0.00 H new ATOM 0 HE21 GLN B 556 31.484 -5.723 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN B 556 33.004 -6.539 -16.415 1.00 0.00 H new ATOM 554 N GLU B 557 32.822 -1.398 -10.777 1.00 0.00 N ATOM 555 CA GLU B 557 33.282 -1.117 -9.421 1.00 0.00 C ATOM 556 C GLU B 557 32.356 -0.122 -8.728 1.00 0.00 C ATOM 557 O GLU B 557 32.259 -0.100 -7.502 1.00 0.00 O ATOM 558 CB GLU B 557 34.710 -0.569 -9.447 1.00 0.00 C ATOM 559 CG GLU B 557 35.770 -1.641 -9.641 1.00 0.00 C ATOM 560 CD GLU B 557 35.831 -2.618 -8.483 1.00 0.00 C ATOM 561 OE1 GLU B 557 35.108 -2.403 -7.488 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.602 -3.596 -8.572 1.00 0.00 O ATOM 0 H GLU B 557 33.157 -0.740 -11.481 1.00 0.00 H new ATOM 0 HA GLU B 557 33.269 -2.051 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.795 0.163 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.905 -0.042 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.565 -2.187 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.744 -1.166 -9.762 1.00 0.00 H new ATOM 569 N GLN B 558 31.679 0.701 -9.523 1.00 0.00 N ATOM 570 CA GLN B 558 30.762 1.699 -8.986 1.00 0.00 C ATOM 571 C GLN B 558 29.765 1.062 -8.024 1.00 0.00 C ATOM 572 O GLN B 558 29.562 1.547 -6.911 1.00 0.00 O ATOM 573 CB GLN B 558 30.016 2.400 -10.123 1.00 0.00 C ATOM 574 CG GLN B 558 30.725 3.641 -10.642 1.00 0.00 C ATOM 575 CD GLN B 558 30.558 3.825 -12.137 1.00 0.00 C ATOM 576 OE1 GLN B 558 31.520 4.112 -12.850 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.332 3.661 -12.621 1.00 0.00 N ATOM 0 H GLN B 558 31.748 0.696 -10.541 1.00 0.00 H new ATOM 0 HA GLN B 558 31.348 2.436 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.882 1.698 -10.946 1.00 0.00 H new ATOM 0 HB3 GLN B 558 29.021 2.679 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.337 4.519 -10.126 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.787 3.575 -10.404 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.564 3.423 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN B 558 29.159 3.773 -13.620 1.00 0.00 H new ATOM 586 N LYS B 559 29.145 -0.029 -8.460 1.00 0.00 N ATOM 587 CA LYS B 559 28.169 -0.735 -7.639 1.00 0.00 C ATOM 588 C LYS B 559 28.741 -1.044 -6.259 1.00 0.00 C ATOM 589 O LYS B 559 28.098 -0.792 -5.240 1.00 0.00 O ATOM 590 CB LYS B 559 27.737 -2.033 -8.325 1.00 0.00 C ATOM 591 CG LYS B 559 28.901 -2.898 -8.778 1.00 0.00 C ATOM 592 CD LYS B 559 28.431 -4.060 -9.637 1.00 0.00 C ATOM 593 CE LYS B 559 28.056 -3.601 -11.038 1.00 0.00 C ATOM 594 NZ LYS B 559 27.002 -4.464 -11.640 1.00 0.00 N ATOM 0 H LYS B 559 29.301 -0.444 -9.379 1.00 0.00 H new ATOM 0 HA LYS B 559 27.300 -0.089 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS B 559 27.114 -2.607 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS B 559 27.119 -1.789 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS B 559 29.609 -2.291 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS B 559 29.432 -3.280 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS B 559 29.219 -4.811 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS B 559 27.571 -4.537 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS B 559 27.704 -2.570 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS B 559 28.942 -3.612 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.774 -4.119 -12.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 27.347 -5.443 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.148 -4.433 -11.047 1.00 0.00 H new ATOM 608 N GLN B 560 29.953 -1.589 -6.234 1.00 0.00 N ATOM 609 CA GLN B 560 30.611 -1.930 -4.979 1.00 0.00 C ATOM 610 C GLN B 560 30.806 -0.691 -4.112 1.00 0.00 C ATOM 611 O GLN B 560 30.640 -0.741 -2.893 1.00 0.00 O ATOM 612 CB GLN B 560 31.962 -2.595 -5.250 1.00 0.00 C ATOM 613 CG GLN B 560 31.899 -3.695 -6.298 1.00 0.00 C ATOM 614 CD GLN B 560 30.866 -4.755 -5.970 1.00 0.00 C ATOM 615 OE1 GLN B 560 29.665 -4.486 -5.961 1.00 0.00 O ATOM 616 NE2 GLN B 560 31.330 -5.969 -5.697 1.00 0.00 N ATOM 0 H GLN B 560 30.499 -1.804 -7.069 1.00 0.00 H new ATOM 0 HA GLN B 560 29.971 -2.630 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.673 -1.835 -5.575 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.345 -3.013 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.667 -3.255 -7.268 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.879 -4.163 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN B 560 32.334 -6.147 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN B 560 30.682 -6.723 -5.468 1.00 0.00 H new ATOM 625 N MET B 561 31.161 0.421 -4.748 1.00 0.00 N ATOM 626 CA MET B 561 31.378 1.674 -4.034 1.00 0.00 C ATOM 627 C MET B 561 30.106 2.120 -3.320 1.00 0.00 C ATOM 628 O MET B 561 30.087 2.263 -2.096 1.00 0.00 O ATOM 629 CB MET B 561 31.841 2.764 -5.003 1.00 0.00 C ATOM 630 CG MET B 561 33.124 2.416 -5.741 1.00 0.00 C ATOM 631 SD MET B 561 34.235 3.826 -5.904 1.00 0.00 S ATOM 632 CE MET B 561 33.267 4.899 -6.963 1.00 0.00 C ATOM 0 H MET B 561 31.304 0.480 -5.756 1.00 0.00 H new ATOM 0 HA MET B 561 32.154 1.508 -3.287 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.052 2.950 -5.731 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.990 3.691 -4.450 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.637 1.613 -5.211 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.877 2.037 -6.732 1.00 0.00 H new ATOM 0 HE1 MET B 561 33.911 5.671 -7.385 1.00 0.00 H new ATOM 0 HE2 MET B 561 32.826 4.313 -7.769 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.474 5.367 -6.380 1.00 0.00 H new ATOM 642 N LEU B 562 29.046 2.338 -4.089 1.00 0.00 N ATOM 643 CA LEU B 562 27.769 2.768 -3.529 1.00 0.00 C ATOM 644 C LEU B 562 27.336 1.849 -2.391 1.00 0.00 C ATOM 645 O LEU B 562 26.972 2.311 -1.311 1.00 0.00 O ATOM 646 CB LEU B 562 26.694 2.791 -4.618 1.00 0.00 C ATOM 647 CG LEU B 562 26.762 3.958 -5.603 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.730 3.787 -6.706 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.557 5.281 -4.879 1.00 0.00 C ATOM 0 H LEU B 562 29.045 2.224 -5.103 1.00 0.00 H new ATOM 0 HA LEU B 562 27.896 3.775 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.757 1.861 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.717 2.805 -4.136 1.00 0.00 H new ATOM 0 HG LEU B 562 27.752 3.966 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.794 4.627 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.923 2.859 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.732 3.752 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.609 6.100 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.580 5.283 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.335 5.408 -4.126 1.00 0.00 H new ATOM 661 N GLY B 563 27.381 0.543 -2.642 1.00 0.00 N ATOM 662 CA GLY B 563 26.994 -0.420 -1.628 1.00 0.00 C ATOM 663 C GLY B 563 27.892 -0.372 -0.408 1.00 0.00 C ATOM 664 O GLY B 563 27.421 -0.489 0.722 1.00 0.00 O ATOM 0 H GLY B 563 27.678 0.136 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.964 -0.229 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY B 563 27.020 -1.423 -2.055 1.00 0.00 H new ATOM 668 N GLU B 564 29.190 -0.201 -0.638 1.00 0.00 N ATOM 669 CA GLU B 564 30.157 -0.140 0.452 1.00 0.00 C ATOM 670 C GLU B 564 29.824 0.999 1.412 1.00 0.00 C ATOM 671 O GLU B 564 29.870 0.832 2.631 1.00 0.00 O ATOM 672 CB GLU B 564 31.572 0.041 -0.100 1.00 0.00 C ATOM 673 CG GLU B 564 32.332 -1.264 -0.266 1.00 0.00 C ATOM 674 CD GLU B 564 33.781 -1.155 0.170 1.00 0.00 C ATOM 675 OE1 GLU B 564 34.041 -0.503 1.203 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.653 -1.719 -0.523 1.00 0.00 O ATOM 0 H GLU B 564 29.596 -0.102 -1.568 1.00 0.00 H new ATOM 0 HA GLU B 564 30.107 -1.081 1.000 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.515 0.544 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.132 0.696 0.567 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.839 -2.044 0.315 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.293 -1.572 -1.311 1.00 0.00 H new ATOM 683 N ARG B 565 29.490 2.158 0.852 1.00 0.00 N ATOM 684 CA ARG B 565 29.151 3.325 1.657 1.00 0.00 C ATOM 685 C ARG B 565 27.753 3.189 2.252 1.00 0.00 C ATOM 686 O ARG B 565 27.469 3.719 3.326 1.00 0.00 O ATOM 687 CB ARG B 565 29.235 4.596 0.810 1.00 0.00 C ATOM 688 CG ARG B 565 29.575 5.842 1.613 1.00 0.00 C ATOM 689 CD ARG B 565 31.008 6.288 1.370 1.00 0.00 C ATOM 690 NE ARG B 565 31.868 6.017 2.519 1.00 0.00 N ATOM 691 CZ ARG B 565 32.446 4.843 2.743 1.00 0.00 C ATOM 692 NH1 ARG B 565 32.258 3.835 1.901 1.00 0.00 N ATOM 693 NH2 ARG B 565 33.216 4.674 3.811 1.00 0.00 N ATOM 0 H ARG B 565 29.447 2.313 -0.155 1.00 0.00 H new ATOM 0 HA ARG B 565 29.869 3.392 2.474 1.00 0.00 H new ATOM 0 HB2 ARG B 565 29.989 4.457 0.035 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.282 4.749 0.304 1.00 0.00 H new ATOM 0 HG2 ARG B 565 28.892 6.647 1.344 1.00 0.00 H new ATOM 0 HG3 ARG B 565 29.430 5.643 2.675 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.403 5.776 0.493 1.00 0.00 H new ATOM 0 HD3 ARG B 565 31.023 7.355 1.150 1.00 0.00 H new ATOM 0 HE ARG B 565 32.034 6.771 3.186 1.00 0.00 H new ATOM 0 HH11 ARG B 565 31.668 3.961 1.079 1.00 0.00 H new ATOM 0 HH12 ARG B 565 32.704 2.934 2.076 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.364 5.446 4.460 1.00 0.00 H new ATOM 0 HH22 ARG B 565 33.660 3.772 3.982 1.00 0.00 H new ATOM 707 N LEU B 566 26.883 2.475 1.546 1.00 0.00 N ATOM 708 CA LEU B 566 25.513 2.268 2.003 1.00 0.00 C ATOM 709 C LEU B 566 25.464 1.242 3.131 1.00 0.00 C ATOM 710 O LEU B 566 24.540 1.241 3.944 1.00 0.00 O ATOM 711 CB LEU B 566 24.630 1.809 0.841 1.00 0.00 C ATOM 712 CG LEU B 566 24.331 2.859 -0.230 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.089 2.194 -1.576 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.132 3.705 0.173 1.00 0.00 C ATOM 0 H LEU B 566 27.102 2.030 0.655 1.00 0.00 H new ATOM 0 HA LEU B 566 25.136 3.217 2.384 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.110 0.956 0.361 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.683 1.455 1.248 1.00 0.00 H new ATOM 0 HG LEU B 566 25.198 3.514 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.878 2.956 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.976 1.633 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.239 1.516 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU B 566 22.934 4.447 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.259 3.064 0.294 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.344 4.211 1.115 1.00 0.00 H new ATOM 726 N PHE B 567 26.466 0.370 3.174 1.00 0.00 N ATOM 727 CA PHE B 567 26.538 -0.661 4.202 1.00 0.00 C ATOM 728 C PHE B 567 26.407 -0.051 5.595 1.00 0.00 C ATOM 729 O PHE B 567 25.518 -0.400 6.372 1.00 0.00 O ATOM 730 CB PHE B 567 27.857 -1.429 4.093 1.00 0.00 C ATOM 731 CG PHE B 567 28.314 -2.024 5.394 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.485 -2.867 6.115 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.574 -1.739 5.896 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.902 -3.417 7.313 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.997 -2.286 7.093 1.00 0.00 C ATOM 736 CZ PHE B 567 29.160 -3.124 7.803 1.00 0.00 C ATOM 0 H PHE B 567 27.239 0.357 2.509 1.00 0.00 H new ATOM 0 HA PHE B 567 25.709 -1.351 4.047 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.744 -2.226 3.358 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.629 -0.757 3.719 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.500 -3.098 5.737 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.232 -1.083 5.346 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.246 -4.074 7.864 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.982 -2.058 7.473 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.488 -3.550 8.740 1.00 0.00 H new ATOM 746 N PRO B 568 27.313 0.883 5.919 1.00 0.00 N ATOM 747 CA PRO B 568 27.320 1.562 7.218 1.00 0.00 C ATOM 748 C PRO B 568 26.139 2.512 7.382 1.00 0.00 C ATOM 749 O PRO B 568 25.629 2.701 8.488 1.00 0.00 O ATOM 750 CB PRO B 568 28.636 2.344 7.203 1.00 0.00 C ATOM 751 CG PRO B 568 28.932 2.559 5.758 1.00 0.00 C ATOM 752 CD PRO B 568 28.401 1.349 5.042 1.00 0.00 C ATOM 0 HA PRO B 568 27.236 0.858 8.046 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.540 3.292 7.733 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.434 1.785 7.692 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.455 3.469 5.393 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.003 2.672 5.592 1.00 0.00 H new ATOM 0 HD2 PRO B 568 28.035 1.600 4.046 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.170 0.587 4.916 1.00 0.00 H new ATOM 760 N LEU B 569 25.706 3.108 6.276 1.00 0.00 N ATOM 761 CA LEU B 569 24.583 4.038 6.297 1.00 0.00 C ATOM 762 C LEU B 569 23.326 3.363 6.836 1.00 0.00 C ATOM 763 O LEU B 569 22.753 3.802 7.833 1.00 0.00 O ATOM 764 CB LEU B 569 24.321 4.584 4.892 1.00 0.00 C ATOM 765 CG LEU B 569 25.327 5.610 4.372 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.201 5.765 2.864 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.130 6.950 5.066 1.00 0.00 C ATOM 0 H LEU B 569 26.116 2.963 5.353 1.00 0.00 H new ATOM 0 HA LEU B 569 24.840 4.865 6.959 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.296 3.745 4.197 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.330 5.038 4.879 1.00 0.00 H new ATOM 0 HG LEU B 569 26.331 5.251 4.597 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.925 6.500 2.512 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.393 4.806 2.382 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.194 6.100 2.616 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.855 7.668 4.683 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.121 7.315 4.873 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.272 6.828 6.140 1.00 0.00 H new ATOM 779 N ILE B 570 22.905 2.292 6.172 1.00 0.00 N ATOM 780 CA ILE B 570 21.719 1.554 6.586 1.00 0.00 C ATOM 781 C ILE B 570 22.003 0.702 7.818 1.00 0.00 C ATOM 782 O ILE B 570 21.084 0.284 8.521 1.00 0.00 O ATOM 783 CB ILE B 570 21.198 0.645 5.457 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.916 1.469 4.199 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.945 -0.092 5.906 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.245 0.742 2.914 1.00 0.00 C ATOM 0 H ILE B 570 23.368 1.916 5.345 1.00 0.00 H new ATOM 0 HA ILE B 570 20.956 2.294 6.827 1.00 0.00 H new ATOM 0 HB ILE B 570 21.965 -0.093 5.221 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.863 1.751 4.188 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.493 2.393 4.242 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.589 -0.730 5.097 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.176 -0.705 6.777 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.171 0.631 6.166 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.020 1.386 2.064 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.304 0.483 2.903 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.648 -0.168 2.848 1.00 0.00 H new ATOM 798 N GLN B 571 23.283 0.451 8.074 1.00 0.00 N ATOM 799 CA GLN B 571 23.689 -0.350 9.223 1.00 0.00 C ATOM 800 C GLN B 571 23.185 0.268 10.523 1.00 0.00 C ATOM 801 O GLN B 571 23.073 -0.412 11.543 1.00 0.00 O ATOM 802 CB GLN B 571 25.212 -0.484 9.266 1.00 0.00 C ATOM 803 CG GLN B 571 25.745 -0.943 10.613 1.00 0.00 C ATOM 804 CD GLN B 571 26.058 0.214 11.541 1.00 0.00 C ATOM 805 OE1 GLN B 571 25.428 0.375 12.587 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.037 1.028 11.164 1.00 0.00 N ATOM 0 H GLN B 571 24.056 0.790 7.502 1.00 0.00 H new ATOM 0 HA GLN B 571 23.247 -1.341 9.117 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.528 -1.192 8.500 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.660 0.478 9.016 1.00 0.00 H new ATOM 0 HG2 GLN B 571 25.012 -1.596 11.087 1.00 0.00 H new ATOM 0 HG3 GLN B 571 26.647 -1.535 10.460 1.00 0.00 H new ATOM 0 HE21 GLN B 571 27.533 0.858 10.289 1.00 0.00 H new ATOM 0 HE22 GLN B 571 27.293 1.823 11.749 1.00 0.00 H new ATOM 815 N ALA B 572 22.881 1.561 10.479 1.00 0.00 N ATOM 816 CA ALA B 572 22.387 2.270 11.653 1.00 0.00 C ATOM 817 C ALA B 572 20.881 2.094 11.807 1.00 0.00 C ATOM 818 O ALA B 572 20.298 2.502 12.811 1.00 0.00 O ATOM 819 CB ALA B 572 22.742 3.747 11.566 1.00 0.00 C ATOM 0 H ALA B 572 22.968 2.139 9.643 1.00 0.00 H new ATOM 0 HA ALA B 572 22.868 1.844 12.533 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.367 4.264 12.449 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.825 3.858 11.513 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.289 4.178 10.673 1.00 0.00 H new ATOM 825 N MET B 573 20.255 1.484 10.805 1.00 0.00 N ATOM 826 CA MET B 573 18.815 1.254 10.830 1.00 0.00 C ATOM 827 C MET B 573 18.502 -0.238 10.779 1.00 0.00 C ATOM 828 O MET B 573 17.878 -0.783 11.690 1.00 0.00 O ATOM 829 CB MET B 573 18.142 1.969 9.657 1.00 0.00 C ATOM 830 CG MET B 573 18.621 3.399 9.462 1.00 0.00 C ATOM 831 SD MET B 573 17.553 4.343 8.357 1.00 0.00 S ATOM 832 CE MET B 573 18.661 4.629 6.978 1.00 0.00 C ATOM 0 H MET B 573 20.722 1.140 9.966 1.00 0.00 H new ATOM 0 HA MET B 573 18.424 1.657 11.764 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.327 1.404 8.743 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.064 1.974 9.815 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.668 3.898 10.430 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.634 3.387 9.060 1.00 0.00 H new ATOM 0 HE1 MET B 573 18.144 5.203 6.209 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.533 5.185 7.321 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.980 3.673 6.564 1.00 0.00 H new ATOM 842 N HIS B 574 18.939 -0.893 9.708 1.00 0.00 N ATOM 843 CA HIS B 574 18.705 -2.323 9.539 1.00 0.00 C ATOM 844 C HIS B 574 20.015 -3.060 9.273 1.00 0.00 C ATOM 845 O HIS B 574 20.285 -3.514 8.161 1.00 0.00 O ATOM 846 CB HIS B 574 17.726 -2.568 8.390 1.00 0.00 C ATOM 847 CG HIS B 574 16.418 -1.858 8.556 1.00 0.00 C ATOM 848 ND1 HIS B 574 16.151 -0.630 7.989 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.298 -2.211 9.229 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.924 -0.258 8.308 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.385 -1.200 9.059 1.00 0.00 N ATOM 0 H HIS B 574 19.457 -0.457 8.945 1.00 0.00 H new ATOM 0 HA HIS B 574 18.273 -2.708 10.463 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.188 -2.248 7.456 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.540 -3.639 8.304 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.150 -3.119 9.795 1.00 0.00 H new ATOM 0 HE1 HIS B 574 14.444 0.661 8.006 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.443 -1.180 9.450 1.00 0.00 H new ATOM 859 N PRO B 575 20.848 -3.182 10.317 1.00 0.00 N ATOM 860 CA PRO B 575 22.143 -3.862 10.221 1.00 0.00 C ATOM 861 C PRO B 575 21.993 -5.369 10.039 1.00 0.00 C ATOM 862 O PRO B 575 22.900 -6.038 9.543 1.00 0.00 O ATOM 863 CB PRO B 575 22.808 -3.550 11.563 1.00 0.00 C ATOM 864 CG PRO B 575 21.676 -3.297 12.498 1.00 0.00 C ATOM 865 CD PRO B 575 20.590 -2.665 11.672 1.00 0.00 C ATOM 0 HA PRO B 575 22.717 -3.526 9.357 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.423 -4.383 11.903 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.461 -2.681 11.488 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.330 -4.225 12.952 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.981 -2.638 13.311 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.599 -2.947 12.028 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.643 -1.577 11.704 1.00 0.00 H new ATOM 873 N THR B 576 20.842 -5.898 10.443 1.00 0.00 N ATOM 874 CA THR B 576 20.575 -7.326 10.324 1.00 0.00 C ATOM 875 C THR B 576 20.826 -7.817 8.903 1.00 0.00 C ATOM 876 O THR B 576 21.429 -8.871 8.697 1.00 0.00 O ATOM 877 CB THR B 576 19.124 -7.660 10.722 1.00 0.00 C ATOM 878 OG1 THR B 576 18.835 -7.123 12.017 1.00 0.00 O ATOM 879 CG2 THR B 576 18.898 -9.165 10.729 1.00 0.00 C ATOM 0 H THR B 576 20.080 -5.359 10.855 1.00 0.00 H new ATOM 0 HA THR B 576 21.258 -7.833 11.006 1.00 0.00 H new ATOM 0 HB THR B 576 18.456 -7.211 9.986 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.911 -7.338 12.262 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.867 -9.377 11.013 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.090 -9.566 9.734 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.575 -9.631 11.445 1.00 0.00 H new ATOM 887 N LEU B 577 20.362 -7.046 7.926 1.00 0.00 N ATOM 888 CA LEU B 577 20.538 -7.403 6.522 1.00 0.00 C ATOM 889 C LEU B 577 20.896 -6.176 5.689 1.00 0.00 C ATOM 890 O LEU B 577 20.472 -6.047 4.541 1.00 0.00 O ATOM 891 CB LEU B 577 19.264 -8.050 5.976 1.00 0.00 C ATOM 892 CG LEU B 577 18.476 -8.915 6.960 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.484 -8.067 7.741 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.758 -10.038 6.226 1.00 0.00 C ATOM 0 H LEU B 577 19.862 -6.171 8.079 1.00 0.00 H new ATOM 0 HA LEU B 577 21.358 -8.117 6.454 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.607 -7.260 5.611 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.532 -8.665 5.117 1.00 0.00 H new ATOM 0 HG LEU B 577 19.178 -9.359 7.666 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.932 -8.700 8.436 1.00 0.00 H new ATOM 0 HD12 LEU B 577 18.021 -7.299 8.297 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.787 -7.594 7.050 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.202 -10.644 6.942 1.00 0.00 H new ATOM 0 HD22 LEU B 577 17.068 -9.613 5.497 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.489 -10.663 5.713 1.00 0.00 H new ATOM 906 N ALA B 578 21.681 -5.278 6.275 1.00 0.00 N ATOM 907 CA ALA B 578 22.100 -4.064 5.586 1.00 0.00 C ATOM 908 C ALA B 578 22.631 -4.379 4.192 1.00 0.00 C ATOM 909 O ALA B 578 22.229 -3.759 3.209 1.00 0.00 O ATOM 910 CB ALA B 578 23.154 -3.331 6.402 1.00 0.00 C ATOM 0 H ALA B 578 22.040 -5.369 7.226 1.00 0.00 H new ATOM 0 HA ALA B 578 21.228 -3.419 5.476 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.458 -2.426 5.875 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.740 -3.063 7.374 1.00 0.00 H new ATOM 0 HB3 ALA B 578 24.020 -3.977 6.542 1.00 0.00 H new ATOM 916 N GLY B 579 23.540 -5.347 4.115 1.00 0.00 N ATOM 917 CA GLY B 579 24.113 -5.727 2.837 1.00 0.00 C ATOM 918 C GLY B 579 23.069 -6.237 1.863 1.00 0.00 C ATOM 919 O GLY B 579 23.041 -5.829 0.701 1.00 0.00 O ATOM 0 H GLY B 579 23.889 -5.874 4.915 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.623 -4.868 2.401 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.866 -6.499 2.995 1.00 0.00 H new ATOM 923 N LYS B 580 22.209 -7.133 2.335 1.00 0.00 N ATOM 924 CA LYS B 580 21.158 -7.700 1.498 1.00 0.00 C ATOM 925 C LYS B 580 20.345 -6.600 0.825 1.00 0.00 C ATOM 926 O LYS B 580 20.292 -6.517 -0.403 1.00 0.00 O ATOM 927 CB LYS B 580 20.237 -8.591 2.335 1.00 0.00 C ATOM 928 CG LYS B 580 19.238 -9.380 1.507 1.00 0.00 C ATOM 929 CD LYS B 580 17.907 -8.655 1.399 1.00 0.00 C ATOM 930 CE LYS B 580 16.921 -9.425 0.533 1.00 0.00 C ATOM 931 NZ LYS B 580 17.493 -9.751 -0.803 1.00 0.00 N ATOM 0 H LYS B 580 22.219 -7.482 3.293 1.00 0.00 H new ATOM 0 HA LYS B 580 21.631 -8.303 0.723 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.845 -9.286 2.914 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.695 -7.970 3.049 1.00 0.00 H new ATOM 0 HG2 LYS B 580 19.644 -9.548 0.509 1.00 0.00 H new ATOM 0 HG3 LYS B 580 19.084 -10.360 1.958 1.00 0.00 H new ATOM 0 HD2 LYS B 580 17.486 -8.515 2.395 1.00 0.00 H new ATOM 0 HD3 LYS B 580 18.065 -7.662 0.977 1.00 0.00 H new ATOM 0 HE2 LYS B 580 16.635 -10.346 1.040 1.00 0.00 H new ATOM 0 HE3 LYS B 580 16.013 -8.836 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 16.742 -9.710 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 18.237 -9.064 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 17.900 -10.708 -0.782 1.00 0.00 H new ATOM 945 N ILE B 581 19.714 -5.756 1.635 1.00 0.00 N ATOM 946 CA ILE B 581 18.906 -4.660 1.117 1.00 0.00 C ATOM 947 C ILE B 581 19.747 -3.708 0.274 1.00 0.00 C ATOM 948 O ILE B 581 19.266 -3.137 -0.706 1.00 0.00 O ATOM 949 CB ILE B 581 18.238 -3.866 2.255 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.292 -3.368 3.246 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.201 -4.725 2.962 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.713 -2.928 4.573 1.00 0.00 C ATOM 0 H ILE B 581 19.747 -5.811 2.653 1.00 0.00 H new ATOM 0 HA ILE B 581 18.132 -5.106 0.493 1.00 0.00 H new ATOM 0 HB ILE B 581 17.733 -3.000 1.827 1.00 0.00 H new ATOM 0 HG12 ILE B 581 20.018 -4.162 3.421 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.833 -2.533 2.800 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.738 -4.150 3.764 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.437 -5.034 2.249 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.684 -5.608 3.381 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.517 -2.588 5.226 1.00 0.00 H new ATOM 0 HD12 ILE B 581 18.008 -2.113 4.410 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.197 -3.766 5.041 1.00 0.00 H new ATOM 964 N THR B 582 21.008 -3.541 0.660 1.00 0.00 N ATOM 965 CA THR B 582 21.918 -2.659 -0.061 1.00 0.00 C ATOM 966 C THR B 582 22.209 -3.192 -1.459 1.00 0.00 C ATOM 967 O THR B 582 22.483 -2.426 -2.381 1.00 0.00 O ATOM 968 CB THR B 582 23.248 -2.484 0.697 1.00 0.00 C ATOM 969 OG1 THR B 582 23.039 -1.707 1.881 1.00 0.00 O ATOM 970 CG2 THR B 582 24.287 -1.806 -0.184 1.00 0.00 C ATOM 0 H THR B 582 21.423 -4.005 1.468 1.00 0.00 H new ATOM 0 HA THR B 582 21.423 -1.691 -0.141 1.00 0.00 H new ATOM 0 HB THR B 582 23.617 -3.472 0.972 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.735 -2.291 2.606 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.218 -1.693 0.372 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.466 -2.415 -1.070 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.923 -0.824 -0.486 1.00 0.00 H new ATOM 978 N GLY B 583 22.146 -4.512 -1.609 1.00 0.00 N ATOM 979 CA GLY B 583 22.404 -5.125 -2.899 1.00 0.00 C ATOM 980 C GLY B 583 21.341 -4.786 -3.925 1.00 0.00 C ATOM 981 O GLY B 583 21.651 -4.300 -5.013 1.00 0.00 O ATOM 0 H GLY B 583 21.921 -5.167 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.376 -4.797 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.457 -6.207 -2.779 1.00 0.00 H new ATOM 985 N MET B 584 20.084 -5.045 -3.580 1.00 0.00 N ATOM 986 CA MET B 584 18.972 -4.764 -4.481 1.00 0.00 C ATOM 987 C MET B 584 18.787 -3.261 -4.665 1.00 0.00 C ATOM 988 O MET B 584 18.527 -2.789 -5.772 1.00 0.00 O ATOM 989 CB MET B 584 17.682 -5.387 -3.942 1.00 0.00 C ATOM 990 CG MET B 584 17.391 -5.024 -2.495 1.00 0.00 C ATOM 991 SD MET B 584 16.853 -6.441 -1.518 1.00 0.00 S ATOM 992 CE MET B 584 15.073 -6.287 -1.650 1.00 0.00 C ATOM 0 H MET B 584 19.810 -5.449 -2.684 1.00 0.00 H new ATOM 0 HA MET B 584 19.202 -5.204 -5.451 1.00 0.00 H new ATOM 0 HB2 MET B 584 16.846 -5.067 -4.564 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.747 -6.471 -4.030 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.287 -4.596 -2.045 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.620 -4.254 -2.466 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.596 -6.928 -0.908 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.783 -5.251 -1.474 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.755 -6.588 -2.648 1.00 0.00 H new ATOM 1002 N LEU B 585 18.921 -2.516 -3.574 1.00 0.00 N ATOM 1003 CA LEU B 585 18.768 -1.065 -3.615 1.00 0.00 C ATOM 1004 C LEU B 585 19.778 -0.438 -4.571 1.00 0.00 C ATOM 1005 O LEU B 585 19.403 0.230 -5.536 1.00 0.00 O ATOM 1006 CB LEU B 585 18.941 -0.475 -2.214 1.00 0.00 C ATOM 1007 CG LEU B 585 17.653 -0.226 -1.428 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.749 0.742 -2.176 1.00 0.00 C ATOM 1009 CD2 LEU B 585 16.929 -1.537 -1.161 1.00 0.00 C ATOM 0 H LEU B 585 19.135 -2.892 -2.650 1.00 0.00 H new ATOM 0 HA LEU B 585 17.765 -0.840 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.573 -1.147 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.477 0.470 -2.303 1.00 0.00 H new ATOM 0 HG LEU B 585 17.916 0.222 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.838 0.907 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.267 1.691 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.493 0.323 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.015 -1.340 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.678 -2.014 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.574 -2.198 -0.582 1.00 0.00 H new ATOM 1021 N LEU B 586 21.059 -0.659 -4.299 1.00 0.00 N ATOM 1022 CA LEU B 586 22.123 -0.118 -5.137 1.00 0.00 C ATOM 1023 C LEU B 586 22.038 -0.676 -6.554 1.00 0.00 C ATOM 1024 O LEU B 586 22.537 -0.069 -7.500 1.00 0.00 O ATOM 1025 CB LEU B 586 23.490 -0.441 -4.530 1.00 0.00 C ATOM 1026 CG LEU B 586 24.120 -1.766 -4.962 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.942 -1.579 -6.228 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.981 -2.336 -3.844 1.00 0.00 C ATOM 0 H LEU B 586 21.386 -1.209 -3.505 1.00 0.00 H new ATOM 0 HA LEU B 586 22.000 0.964 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.178 0.365 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.391 -0.445 -3.444 1.00 0.00 H new ATOM 0 HG LEU B 586 23.320 -2.475 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.382 -2.532 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.298 -1.216 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.735 -0.854 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.421 -3.279 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.775 -1.630 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.364 -2.508 -2.962 1.00 0.00 H new ATOM 1040 N GLU B 587 21.401 -1.835 -6.691 1.00 0.00 N ATOM 1041 CA GLU B 587 21.250 -2.473 -7.993 1.00 0.00 C ATOM 1042 C GLU B 587 20.175 -1.774 -8.820 1.00 0.00 C ATOM 1043 O GLU B 587 20.132 -1.911 -10.043 1.00 0.00 O ATOM 1044 CB GLU B 587 20.896 -3.952 -7.823 1.00 0.00 C ATOM 1045 CG GLU B 587 20.561 -4.652 -9.129 1.00 0.00 C ATOM 1046 CD GLU B 587 20.666 -6.161 -9.026 1.00 0.00 C ATOM 1047 OE1 GLU B 587 21.804 -6.677 -9.018 1.00 0.00 O ATOM 1048 OE2 GLU B 587 19.612 -6.827 -8.953 1.00 0.00 O ATOM 0 H GLU B 587 20.982 -2.350 -5.917 1.00 0.00 H new ATOM 0 HA GLU B 587 22.200 -2.392 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.733 -4.465 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU B 587 20.046 -4.038 -7.146 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.550 -4.382 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU B 587 21.234 -4.297 -9.910 1.00 0.00 H new ATOM 1055 N ILE B 588 19.311 -1.025 -8.144 1.00 0.00 N ATOM 1056 CA ILE B 588 18.237 -0.304 -8.816 1.00 0.00 C ATOM 1057 C ILE B 588 18.770 0.501 -9.997 1.00 0.00 C ATOM 1058 O ILE B 588 18.398 0.258 -11.145 1.00 0.00 O ATOM 1059 CB ILE B 588 17.507 0.647 -7.850 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.795 -0.151 -6.755 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.515 1.515 -8.609 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.176 0.716 -5.681 1.00 0.00 C ATOM 0 H ILE B 588 19.333 -0.901 -7.132 1.00 0.00 H new ATOM 0 HA ILE B 588 17.533 -1.053 -9.178 1.00 0.00 H new ATOM 0 HB ILE B 588 18.244 1.298 -7.379 1.00 0.00 H new ATOM 0 HG12 ILE B 588 16.016 -0.763 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.508 -0.834 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE B 588 16.007 2.182 -7.912 1.00 0.00 H new ATOM 0 HG22 ILE B 588 17.046 2.106 -9.355 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.780 0.880 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.689 0.084 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.953 1.309 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.439 1.381 -6.131 1.00 0.00 H new ATOM 1074 N ASP B 589 19.645 1.458 -9.707 1.00 0.00 N ATOM 1075 CA ASP B 589 20.232 2.297 -10.745 1.00 0.00 C ATOM 1076 C ASP B 589 21.139 3.361 -10.136 1.00 0.00 C ATOM 1077 O ASP B 589 20.750 4.059 -9.200 1.00 0.00 O ATOM 1078 CB ASP B 589 19.133 2.960 -11.577 1.00 0.00 C ATOM 1079 CG ASP B 589 19.323 2.744 -13.066 1.00 0.00 C ATOM 1080 OD1 ASP B 589 20.483 2.581 -13.497 1.00 0.00 O ATOM 1081 OD2 ASP B 589 18.312 2.740 -13.799 1.00 0.00 O ATOM 0 H ASP B 589 19.963 1.672 -8.762 1.00 0.00 H new ATOM 0 HA ASP B 589 20.834 1.661 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP B 589 18.164 2.562 -11.276 1.00 0.00 H new ATOM 0 HB3 ASP B 589 19.118 4.029 -11.367 1.00 0.00 H new ATOM 1086 N ASN B 590 22.349 3.479 -10.672 1.00 0.00 N ATOM 1087 CA ASN B 590 23.311 4.457 -10.180 1.00 0.00 C ATOM 1088 C ASN B 590 22.836 5.879 -10.463 1.00 0.00 C ATOM 1089 O ASN B 590 23.184 6.816 -9.744 1.00 0.00 O ATOM 1090 CB ASN B 590 24.679 4.227 -10.826 1.00 0.00 C ATOM 1091 CG ASN B 590 25.319 2.927 -10.378 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.668 1.883 -10.338 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.601 2.986 -10.037 1.00 0.00 N ATOM 0 H ASN B 590 22.687 2.909 -11.448 1.00 0.00 H new ATOM 0 HA ASN B 590 23.399 4.331 -9.101 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.569 4.220 -11.910 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.339 5.058 -10.578 1.00 0.00 H new ATOM 0 HD21 ASN B 590 27.085 2.144 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN B 590 27.101 3.874 -10.086 1.00 0.00 H new ATOM 1100 N SER B 591 22.037 6.032 -11.514 1.00 0.00 N ATOM 1101 CA SER B 591 21.515 7.339 -11.895 1.00 0.00 C ATOM 1102 C SER B 591 20.638 7.917 -10.788 1.00 0.00 C ATOM 1103 O SER B 591 20.826 9.056 -10.363 1.00 0.00 O ATOM 1104 CB SER B 591 20.715 7.234 -13.194 1.00 0.00 C ATOM 1105 OG SER B 591 20.303 8.513 -13.644 1.00 0.00 O ATOM 0 H SER B 591 21.737 5.266 -12.117 1.00 0.00 H new ATOM 0 HA SER B 591 22.360 8.009 -12.052 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.322 6.753 -13.961 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.841 6.602 -13.037 1.00 0.00 H new ATOM 0 HG SER B 591 19.795 8.419 -14.477 1.00 0.00 H new ATOM 1111 N GLU B 592 19.678 7.121 -10.327 1.00 0.00 N ATOM 1112 CA GLU B 592 18.770 7.553 -9.271 1.00 0.00 C ATOM 1113 C GLU B 592 19.489 7.615 -7.927 1.00 0.00 C ATOM 1114 O GLU B 592 19.338 8.576 -7.172 1.00 0.00 O ATOM 1115 CB GLU B 592 17.572 6.606 -9.178 1.00 0.00 C ATOM 1116 CG GLU B 592 16.817 6.449 -10.487 1.00 0.00 C ATOM 1117 CD GLU B 592 16.003 7.678 -10.841 1.00 0.00 C ATOM 1118 OE1 GLU B 592 15.101 8.038 -10.056 1.00 0.00 O ATOM 1119 OE2 GLU B 592 16.267 8.279 -11.903 1.00 0.00 O ATOM 0 H GLU B 592 19.509 6.175 -10.668 1.00 0.00 H new ATOM 0 HA GLU B 592 18.414 8.553 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.919 5.627 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.887 6.975 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.526 6.244 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU B 592 16.155 5.586 -10.419 1.00 0.00 H new ATOM 1126 N LEU B 593 20.273 6.583 -7.634 1.00 0.00 N ATOM 1127 CA LEU B 593 21.016 6.518 -6.380 1.00 0.00 C ATOM 1128 C LEU B 593 21.861 7.772 -6.183 1.00 0.00 C ATOM 1129 O LEU B 593 21.898 8.345 -5.093 1.00 0.00 O ATOM 1130 CB LEU B 593 21.911 5.278 -6.359 1.00 0.00 C ATOM 1131 CG LEU B 593 21.190 3.930 -6.339 1.00 0.00 C ATOM 1132 CD1 LEU B 593 22.081 2.839 -6.914 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.758 3.577 -4.924 1.00 0.00 C ATOM 0 H LEU B 593 20.411 5.780 -8.248 1.00 0.00 H new ATOM 0 HA LEU B 593 20.297 6.454 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.559 5.308 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.556 5.335 -5.483 1.00 0.00 H new ATOM 0 HG LEU B 593 20.298 4.008 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.551 1.887 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.340 3.086 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.991 2.762 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.247 2.614 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.635 3.518 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.082 4.345 -4.548 1.00 0.00 H new ATOM 1145 N LEU B 594 22.538 8.196 -7.245 1.00 0.00 N ATOM 1146 CA LEU B 594 23.382 9.385 -7.189 1.00 0.00 C ATOM 1147 C LEU B 594 22.633 10.555 -6.559 1.00 0.00 C ATOM 1148 O LEU B 594 23.203 11.327 -5.787 1.00 0.00 O ATOM 1149 CB LEU B 594 23.855 9.765 -8.594 1.00 0.00 C ATOM 1150 CG LEU B 594 25.202 9.186 -9.027 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.522 9.590 -10.458 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.306 9.640 -8.083 1.00 0.00 C ATOM 0 H LEU B 594 22.519 7.735 -8.154 1.00 0.00 H new ATOM 0 HA LEU B 594 24.249 9.156 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.098 9.445 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.913 10.852 -8.655 1.00 0.00 H new ATOM 0 HG LEU B 594 25.139 8.099 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.484 9.169 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU B 594 24.745 9.214 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.566 10.677 -10.528 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.258 9.218 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU B 594 26.369 10.728 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU B 594 26.083 9.299 -7.072 1.00 0.00 H new ATOM 1164 N HIS B 595 21.352 10.680 -6.892 1.00 0.00 N ATOM 1165 CA HIS B 595 20.524 11.755 -6.357 1.00 0.00 C ATOM 1166 C HIS B 595 19.956 11.374 -4.993 1.00 0.00 C ATOM 1167 O HIS B 595 19.673 12.239 -4.164 1.00 0.00 O ATOM 1168 CB HIS B 595 19.385 12.080 -7.324 1.00 0.00 C ATOM 1169 CG HIS B 595 18.950 13.512 -7.276 1.00 0.00 C ATOM 1170 ND1 HIS B 595 17.949 13.967 -6.443 1.00 0.00 N ATOM 1171 CD2 HIS B 595 19.386 14.594 -7.963 1.00 0.00 C ATOM 1172 CE1 HIS B 595 17.787 15.265 -6.621 1.00 0.00 C ATOM 1173 NE2 HIS B 595 18.648 15.671 -7.538 1.00 0.00 N ATOM 0 H HIS B 595 20.865 10.050 -7.530 1.00 0.00 H new ATOM 0 HA HIS B 595 21.151 12.638 -6.237 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.701 11.838 -8.339 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.532 11.442 -7.095 1.00 0.00 H new ATOM 0 HD2 HIS B 595 20.169 14.608 -8.707 1.00 0.00 H new ATOM 0 HE1 HIS B 595 17.072 15.889 -6.105 1.00 0.00 H new ATOM 0 HE2 HIS B 595 18.748 16.629 -7.875 1.00 0.00 H new ATOM 1181 N MET B 596 19.790 10.075 -4.767 1.00 0.00 N ATOM 1182 CA MET B 596 19.256 9.581 -3.503 1.00 0.00 C ATOM 1183 C MET B 596 20.199 9.908 -2.350 1.00 0.00 C ATOM 1184 O MET B 596 19.761 10.128 -1.220 1.00 0.00 O ATOM 1185 CB MET B 596 19.028 8.070 -3.578 1.00 0.00 C ATOM 1186 CG MET B 596 17.835 7.677 -4.434 1.00 0.00 C ATOM 1187 SD MET B 596 17.704 5.894 -4.667 1.00 0.00 S ATOM 1188 CE MET B 596 17.545 5.342 -2.971 1.00 0.00 C ATOM 0 H MET B 596 20.018 9.345 -5.443 1.00 0.00 H new ATOM 0 HA MET B 596 18.303 10.077 -3.321 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.924 7.595 -3.978 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.885 7.682 -2.570 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.921 8.047 -3.968 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.916 8.162 -5.407 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.175 4.317 -2.955 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.518 5.384 -2.482 1.00 0.00 H new ATOM 0 HE3 MET B 596 16.845 5.989 -2.442 1.00 0.00 H new ATOM 1198 N LEU B 597 21.495 9.939 -2.641 1.00 0.00 N ATOM 1199 CA LEU B 597 22.500 10.239 -1.627 1.00 0.00 C ATOM 1200 C LEU B 597 22.132 11.502 -0.854 1.00 0.00 C ATOM 1201 O LEU B 597 22.139 11.511 0.377 1.00 0.00 O ATOM 1202 CB LEU B 597 23.874 10.408 -2.277 1.00 0.00 C ATOM 1203 CG LEU B 597 24.293 9.310 -3.256 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.747 9.484 -3.664 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.070 7.935 -2.642 1.00 0.00 C ATOM 0 H LEU B 597 21.875 9.760 -3.571 1.00 0.00 H new ATOM 0 HA LEU B 597 22.536 9.404 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.890 11.362 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.623 10.468 -1.487 1.00 0.00 H new ATOM 0 HG LEU B 597 23.675 9.392 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.027 8.694 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.876 10.454 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.382 9.430 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.373 7.166 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.663 7.843 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.014 7.811 -2.402 1.00 0.00 H new ATOM 1217 N GLU B 598 21.811 12.565 -1.584 1.00 0.00 N ATOM 1218 CA GLU B 598 21.439 13.832 -0.966 1.00 0.00 C ATOM 1219 C GLU B 598 19.924 13.948 -0.831 1.00 0.00 C ATOM 1220 O GLU B 598 19.385 15.045 -0.682 1.00 0.00 O ATOM 1221 CB GLU B 598 21.980 15.004 -1.787 1.00 0.00 C ATOM 1222 CG GLU B 598 23.413 14.810 -2.255 1.00 0.00 C ATOM 1223 CD GLU B 598 24.199 16.106 -2.280 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.578 17.174 -2.459 1.00 0.00 O ATOM 1225 OE2 GLU B 598 25.436 16.052 -2.120 1.00 0.00 O ATOM 0 H GLU B 598 21.801 12.574 -2.604 1.00 0.00 H new ATOM 0 HA GLU B 598 21.878 13.863 0.031 1.00 0.00 H new ATOM 0 HB2 GLU B 598 21.340 15.154 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU B 598 21.922 15.913 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU B 598 23.913 14.099 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU B 598 23.409 14.372 -3.253 1.00 0.00 H new ATOM 1232 N SER B 599 19.242 12.808 -0.884 1.00 0.00 N ATOM 1233 CA SER B 599 17.788 12.781 -0.773 1.00 0.00 C ATOM 1234 C SER B 599 17.350 11.921 0.408 1.00 0.00 C ATOM 1235 O SER B 599 16.943 10.769 0.254 1.00 0.00 O ATOM 1236 CB SER B 599 17.166 12.248 -2.065 1.00 0.00 C ATOM 1237 OG SER B 599 15.842 12.727 -2.229 1.00 0.00 O ATOM 0 H SER B 599 19.673 11.891 -1.003 1.00 0.00 H new ATOM 0 HA SER B 599 17.442 13.801 -0.606 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.774 12.551 -2.917 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.162 11.158 -2.048 1.00 0.00 H new ATOM 0 HG SER B 599 15.467 12.373 -3.063 1.00 0.00 H new ATOM 1243 N PRO B 600 17.434 12.492 1.619 1.00 0.00 N ATOM 1244 CA PRO B 600 17.050 11.797 2.851 1.00 0.00 C ATOM 1245 C PRO B 600 15.544 11.581 2.950 1.00 0.00 C ATOM 1246 O PRO B 600 15.066 10.880 3.841 1.00 0.00 O ATOM 1247 CB PRO B 600 17.528 12.743 3.956 1.00 0.00 C ATOM 1248 CG PRO B 600 17.547 14.090 3.319 1.00 0.00 C ATOM 1249 CD PRO B 600 17.909 13.862 1.878 1.00 0.00 C ATOM 0 HA PRO B 600 17.484 10.799 2.908 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.857 12.720 4.814 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.517 12.462 4.317 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.575 14.576 3.405 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.273 14.741 3.805 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.424 14.586 1.223 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.983 13.953 1.714 1.00 0.00 H new ATOM 1257 N GLU B 601 14.802 12.186 2.028 1.00 0.00 N ATOM 1258 CA GLU B 601 13.350 12.059 2.013 1.00 0.00 C ATOM 1259 C GLU B 601 12.919 10.839 1.203 1.00 0.00 C ATOM 1260 O GLU B 601 11.831 10.300 1.405 1.00 0.00 O ATOM 1261 CB GLU B 601 12.711 13.322 1.431 1.00 0.00 C ATOM 1262 CG GLU B 601 13.197 13.661 0.032 1.00 0.00 C ATOM 1263 CD GLU B 601 12.449 14.831 -0.577 1.00 0.00 C ATOM 1264 OE1 GLU B 601 12.884 15.984 -0.376 1.00 0.00 O ATOM 1265 OE2 GLU B 601 11.428 14.592 -1.256 1.00 0.00 O ATOM 0 H GLU B 601 15.182 12.769 1.282 1.00 0.00 H new ATOM 0 HA GLU B 601 13.012 11.930 3.041 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.629 13.195 1.410 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.920 14.163 2.093 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.261 13.894 0.067 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.083 12.788 -0.610 1.00 0.00 H new ATOM 1272 N SER B 602 13.780 10.410 0.287 1.00 0.00 N ATOM 1273 CA SER B 602 13.488 9.257 -0.557 1.00 0.00 C ATOM 1274 C SER B 602 14.228 8.018 -0.059 1.00 0.00 C ATOM 1275 O SER B 602 13.713 6.902 -0.134 1.00 0.00 O ATOM 1276 CB SER B 602 13.876 9.548 -2.008 1.00 0.00 C ATOM 1277 OG SER B 602 12.833 10.223 -2.689 1.00 0.00 O ATOM 0 H SER B 602 14.686 10.843 0.110 1.00 0.00 H new ATOM 0 HA SER B 602 12.416 9.064 -0.507 1.00 0.00 H new ATOM 0 HB2 SER B 602 14.782 10.154 -2.031 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.105 8.614 -2.521 1.00 0.00 H new ATOM 0 HG SER B 602 13.106 10.399 -3.614 1.00 0.00 H new ATOM 1283 N LEU B 603 15.438 8.224 0.448 1.00 0.00 N ATOM 1284 CA LEU B 603 16.250 7.125 0.959 1.00 0.00 C ATOM 1285 C LEU B 603 15.455 6.270 1.939 1.00 0.00 C ATOM 1286 O LEU B 603 15.200 5.092 1.685 1.00 0.00 O ATOM 1287 CB LEU B 603 17.507 7.668 1.641 1.00 0.00 C ATOM 1288 CG LEU B 603 18.372 6.640 2.372 1.00 0.00 C ATOM 1289 CD1 LEU B 603 18.913 5.608 1.395 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.511 7.329 3.109 1.00 0.00 C ATOM 0 H LEU B 603 15.879 9.141 0.516 1.00 0.00 H new ATOM 0 HA LEU B 603 16.543 6.500 0.116 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.122 8.160 0.887 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.206 8.434 2.356 1.00 0.00 H new ATOM 0 HG LEU B 603 17.751 6.126 3.105 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.526 4.885 1.932 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.082 5.093 0.913 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.519 6.106 0.638 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.116 6.582 3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.132 7.870 2.395 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.102 8.029 3.838 1.00 0.00 H new ATOM 1302 N ARG B 604 15.064 6.870 3.058 1.00 0.00 N ATOM 1303 CA ARG B 604 14.296 6.163 4.076 1.00 0.00 C ATOM 1304 C ARG B 604 13.075 5.484 3.462 1.00 0.00 C ATOM 1305 O ARG B 604 12.653 4.418 3.912 1.00 0.00 O ATOM 1306 CB ARG B 604 13.855 7.130 5.176 1.00 0.00 C ATOM 1307 CG ARG B 604 12.701 8.031 4.769 1.00 0.00 C ATOM 1308 CD ARG B 604 11.359 7.419 5.138 1.00 0.00 C ATOM 1309 NE ARG B 604 10.484 8.380 5.805 1.00 0.00 N ATOM 1310 CZ ARG B 604 9.451 8.030 6.564 1.00 0.00 C ATOM 1311 NH1 ARG B 604 9.167 6.749 6.752 1.00 0.00 N ATOM 1312 NH2 ARG B 604 8.701 8.963 7.136 1.00 0.00 N ATOM 0 H ARG B 604 15.266 7.844 3.283 1.00 0.00 H new ATOM 0 HA ARG B 604 14.937 5.396 4.511 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.564 6.557 6.056 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.704 7.750 5.465 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.806 9.001 5.256 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.738 8.208 3.694 1.00 0.00 H new ATOM 0 HD2 ARG B 604 10.870 7.048 4.237 1.00 0.00 H new ATOM 0 HD3 ARG B 604 11.519 6.561 5.791 1.00 0.00 H new ATOM 0 HE ARG B 604 10.677 9.374 5.681 1.00 0.00 H new ATOM 0 HH11 ARG B 604 9.742 6.029 6.314 1.00 0.00 H new ATOM 0 HH12 ARG B 604 8.374 6.483 7.335 1.00 0.00 H new ATOM 0 HH21 ARG B 604 8.917 9.950 6.993 1.00 0.00 H new ATOM 0 HH22 ARG B 604 7.908 8.694 7.719 1.00 0.00 H new ATOM 1326 N SER B 605 12.511 6.109 2.433 1.00 0.00 N ATOM 1327 CA SER B 605 11.336 5.567 1.761 1.00 0.00 C ATOM 1328 C SER B 605 11.639 4.200 1.156 1.00 0.00 C ATOM 1329 O SER B 605 10.973 3.211 1.464 1.00 0.00 O ATOM 1330 CB SER B 605 10.861 6.527 0.668 1.00 0.00 C ATOM 1331 OG SER B 605 9.482 6.347 0.396 1.00 0.00 O ATOM 0 H SER B 605 12.849 6.991 2.047 1.00 0.00 H new ATOM 0 HA SER B 605 10.545 5.450 2.502 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.042 7.556 0.979 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.439 6.362 -0.241 1.00 0.00 H new ATOM 0 HG SER B 605 9.202 6.973 -0.304 1.00 0.00 H new ATOM 1337 N LYS B 606 12.648 4.151 0.294 1.00 0.00 N ATOM 1338 CA LYS B 606 13.042 2.905 -0.354 1.00 0.00 C ATOM 1339 C LYS B 606 13.406 1.845 0.680 1.00 0.00 C ATOM 1340 O LYS B 606 12.975 0.696 0.584 1.00 0.00 O ATOM 1341 CB LYS B 606 14.227 3.147 -1.292 1.00 0.00 C ATOM 1342 CG LYS B 606 13.819 3.591 -2.686 1.00 0.00 C ATOM 1343 CD LYS B 606 13.596 5.093 -2.750 1.00 0.00 C ATOM 1344 CE LYS B 606 12.124 5.444 -2.595 1.00 0.00 C ATOM 1345 NZ LYS B 606 11.386 5.319 -3.883 1.00 0.00 N ATOM 0 H LYS B 606 13.209 4.960 0.027 1.00 0.00 H new ATOM 0 HA LYS B 606 12.194 2.543 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS B 606 14.877 3.905 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS B 606 14.812 2.230 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS B 606 14.592 3.306 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS B 606 12.906 3.074 -2.981 1.00 0.00 H new ATOM 0 HD2 LYS B 606 14.172 5.581 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS B 606 13.965 5.477 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS B 606 11.671 4.789 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS B 606 12.031 6.463 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 10.387 5.567 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 11.802 5.963 -4.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 11.453 4.340 -4.228 1.00 0.00 H new ATOM 1359 N VAL B 607 14.201 2.239 1.670 1.00 0.00 N ATOM 1360 CA VAL B 607 14.621 1.323 2.724 1.00 0.00 C ATOM 1361 C VAL B 607 13.421 0.632 3.362 1.00 0.00 C ATOM 1362 O VAL B 607 13.336 -0.596 3.382 1.00 0.00 O ATOM 1363 CB VAL B 607 15.421 2.054 3.818 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.820 1.089 4.923 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.645 2.731 3.220 1.00 0.00 C ATOM 0 H VAL B 607 14.567 3.186 1.764 1.00 0.00 H new ATOM 0 HA VAL B 607 15.261 0.575 2.256 1.00 0.00 H new ATOM 0 HB VAL B 607 14.786 2.825 4.255 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.384 1.624 5.687 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.924 0.657 5.370 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.438 0.294 4.506 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.199 3.243 4.007 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.285 1.981 2.755 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.330 3.455 2.469 1.00 0.00 H new ATOM 1375 N ASP B 608 12.495 1.430 3.882 1.00 0.00 N ATOM 1376 CA ASP B 608 11.297 0.896 4.521 1.00 0.00 C ATOM 1377 C ASP B 608 10.530 -0.011 3.564 1.00 0.00 C ATOM 1378 O ASP B 608 10.064 -1.083 3.951 1.00 0.00 O ATOM 1379 CB ASP B 608 10.395 2.037 4.995 1.00 0.00 C ATOM 1380 CG ASP B 608 9.514 1.631 6.161 1.00 0.00 C ATOM 1381 OD1 ASP B 608 8.551 0.868 5.940 1.00 0.00 O ATOM 1382 OD2 ASP B 608 9.790 2.077 7.295 1.00 0.00 O ATOM 0 H ASP B 608 12.550 2.448 3.874 1.00 0.00 H new ATOM 0 HA ASP B 608 11.607 0.306 5.383 1.00 0.00 H new ATOM 0 HB2 ASP B 608 11.012 2.887 5.288 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.768 2.369 4.167 1.00 0.00 H new ATOM 1387 N GLU B 609 10.403 0.426 2.315 1.00 0.00 N ATOM 1388 CA GLU B 609 9.691 -0.348 1.305 1.00 0.00 C ATOM 1389 C GLU B 609 10.232 -1.772 1.228 1.00 0.00 C ATOM 1390 O GLU B 609 9.471 -2.739 1.249 1.00 0.00 O ATOM 1391 CB GLU B 609 9.807 0.329 -0.063 1.00 0.00 C ATOM 1392 CG GLU B 609 8.834 1.478 -0.259 1.00 0.00 C ATOM 1393 CD GLU B 609 8.551 1.761 -1.721 1.00 0.00 C ATOM 1394 OE1 GLU B 609 8.933 0.928 -2.570 1.00 0.00 O ATOM 1395 OE2 GLU B 609 7.949 2.814 -2.017 1.00 0.00 O ATOM 0 H GLU B 609 10.783 1.311 1.979 1.00 0.00 H new ATOM 0 HA GLU B 609 8.641 -0.393 1.593 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.824 0.700 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.639 -0.415 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU B 609 7.898 1.247 0.250 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.239 2.375 0.209 1.00 0.00 H new ATOM 1402 N ALA B 610 11.553 -1.893 1.139 1.00 0.00 N ATOM 1403 CA ALA B 610 12.197 -3.198 1.060 1.00 0.00 C ATOM 1404 C ALA B 610 11.952 -4.008 2.329 1.00 0.00 C ATOM 1405 O ALA B 610 11.494 -5.149 2.270 1.00 0.00 O ATOM 1406 CB ALA B 610 13.689 -3.036 0.815 1.00 0.00 C ATOM 0 H ALA B 610 12.198 -1.103 1.120 1.00 0.00 H new ATOM 0 HA ALA B 610 11.760 -3.742 0.223 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.157 -4.019 0.758 1.00 0.00 H new ATOM 0 HB2 ALA B 610 13.848 -2.504 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.133 -2.469 1.634 1.00 0.00 H new ATOM 1412 N VAL B 611 12.261 -3.411 3.475 1.00 0.00 N ATOM 1413 CA VAL B 611 12.075 -4.077 4.759 1.00 0.00 C ATOM 1414 C VAL B 611 10.670 -4.656 4.878 1.00 0.00 C ATOM 1415 O VAL B 611 10.474 -5.722 5.462 1.00 0.00 O ATOM 1416 CB VAL B 611 12.322 -3.112 5.934 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.067 -3.809 7.261 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.737 -2.557 5.877 1.00 0.00 C ATOM 0 H VAL B 611 12.641 -2.467 3.541 1.00 0.00 H new ATOM 0 HA VAL B 611 12.804 -4.886 4.805 1.00 0.00 H new ATOM 0 HB VAL B 611 11.625 -2.278 5.850 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.247 -3.111 8.079 1.00 0.00 H new ATOM 0 HG12 VAL B 611 11.034 -4.153 7.298 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.738 -4.663 7.358 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.895 -1.877 6.714 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.452 -3.377 5.936 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.879 -2.018 4.940 1.00 0.00 H new ATOM 1428 N ALA B 612 9.694 -3.947 4.321 1.00 0.00 N ATOM 1429 CA ALA B 612 8.306 -4.391 4.363 1.00 0.00 C ATOM 1430 C ALA B 612 8.066 -5.532 3.380 1.00 0.00 C ATOM 1431 O ALA B 612 7.270 -6.434 3.643 1.00 0.00 O ATOM 1432 CB ALA B 612 7.371 -3.229 4.066 1.00 0.00 C ATOM 0 H ALA B 612 9.839 -3.062 3.835 1.00 0.00 H new ATOM 0 HA ALA B 612 8.098 -4.761 5.367 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.338 -3.575 4.101 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.516 -2.446 4.810 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.587 -2.832 3.074 1.00 0.00 H new ATOM 1438 N VAL B 613 8.757 -5.485 2.246 1.00 0.00 N ATOM 1439 CA VAL B 613 8.618 -6.515 1.223 1.00 0.00 C ATOM 1440 C VAL B 613 8.995 -7.887 1.770 1.00 0.00 C ATOM 1441 O VAL B 613 8.570 -8.916 1.243 1.00 0.00 O ATOM 1442 CB VAL B 613 9.494 -6.207 -0.006 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.769 -7.036 0.025 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.717 -6.457 -1.290 1.00 0.00 C ATOM 0 H VAL B 613 9.419 -4.745 2.012 1.00 0.00 H new ATOM 0 HA VAL B 613 7.571 -6.522 0.921 1.00 0.00 H new ATOM 0 HB VAL B 613 9.773 -5.154 0.024 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.375 -6.805 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.333 -6.803 0.928 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.514 -8.096 0.020 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.351 -6.234 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.406 -7.501 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.836 -5.815 -1.313 1.00 0.00 H new ATOM 1454 N LEU B 614 9.794 -7.896 2.831 1.00 0.00 N ATOM 1455 CA LEU B 614 10.229 -9.143 3.452 1.00 0.00 C ATOM 1456 C LEU B 614 9.080 -9.803 4.208 1.00 0.00 C ATOM 1457 O LEU B 614 8.727 -10.950 3.938 1.00 0.00 O ATOM 1458 CB LEU B 614 11.398 -8.881 4.403 1.00 0.00 C ATOM 1459 CG LEU B 614 11.911 -10.092 5.183 1.00 0.00 C ATOM 1460 CD1 LEU B 614 11.053 -10.338 6.414 1.00 0.00 C ATOM 1461 CD2 LEU B 614 11.938 -11.327 4.294 1.00 0.00 C ATOM 0 H LEU B 614 10.154 -7.054 3.280 1.00 0.00 H new ATOM 0 HA LEU B 614 10.556 -9.820 2.663 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.225 -8.469 3.825 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.095 -8.115 5.117 1.00 0.00 H new ATOM 0 HG LEU B 614 12.929 -9.883 5.512 1.00 0.00 H new ATOM 0 HD11 LEU B 614 11.434 -11.204 6.956 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.086 -9.462 7.061 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.024 -10.525 6.109 1.00 0.00 H new ATOM 0 HD21 LEU B 614 12.306 -12.179 4.866 1.00 0.00 H new ATOM 0 HD22 LEU B 614 10.931 -11.539 3.935 1.00 0.00 H new ATOM 0 HD23 LEU B 614 12.597 -11.149 3.444 1.00 0.00 H new ATOM 1473 N GLN B 615 8.502 -9.069 5.154 1.00 0.00 N ATOM 1474 CA GLN B 615 7.393 -9.584 5.947 1.00 0.00 C ATOM 1475 C GLN B 615 6.271 -10.095 5.049 1.00 0.00 C ATOM 1476 O GLN B 615 5.587 -11.062 5.382 1.00 0.00 O ATOM 1477 CB GLN B 615 6.859 -8.497 6.881 1.00 0.00 C ATOM 1478 CG GLN B 615 7.948 -7.767 7.651 1.00 0.00 C ATOM 1479 CD GLN B 615 7.512 -7.375 9.049 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.647 -8.017 9.645 1.00 0.00 O ATOM 1481 NE2 GLN B 615 8.110 -6.315 9.580 1.00 0.00 N ATOM 0 H GLN B 615 8.783 -8.117 5.389 1.00 0.00 H new ATOM 0 HA GLN B 615 7.763 -10.417 6.544 1.00 0.00 H new ATOM 0 HB2 GLN B 615 6.292 -7.773 6.296 1.00 0.00 H new ATOM 0 HB3 GLN B 615 6.164 -8.948 7.590 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.831 -8.403 7.715 1.00 0.00 H new ATOM 0 HG3 GLN B 615 8.239 -6.872 7.101 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.822 -5.812 9.050 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.857 -6.003 10.518 1.00 0.00 H new ATOM 1490 N ALA B 616 6.089 -9.439 3.908 1.00 0.00 N ATOM 1491 CA ALA B 616 5.051 -9.827 2.960 1.00 0.00 C ATOM 1492 C ALA B 616 5.156 -11.307 2.608 1.00 0.00 C ATOM 1493 O ALA B 616 4.200 -12.065 2.776 1.00 0.00 O ATOM 1494 CB ALA B 616 5.139 -8.976 1.702 1.00 0.00 C ATOM 0 H ALA B 616 6.647 -8.636 3.617 1.00 0.00 H new ATOM 0 HA ALA B 616 4.082 -9.659 3.431 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.358 -9.277 1.004 1.00 0.00 H new ATOM 0 HB2 ALA B 616 5.007 -7.926 1.963 1.00 0.00 H new ATOM 0 HB3 ALA B 616 6.115 -9.114 1.237 1.00 0.00 H new ATOM 1500 N HIS B 617 6.323 -11.713 2.117 1.00 0.00 N ATOM 1501 CA HIS B 617 6.553 -13.103 1.740 1.00 0.00 C ATOM 1502 C HIS B 617 6.633 -13.995 2.976 1.00 0.00 C ATOM 1503 O HIS B 617 5.798 -14.878 3.170 1.00 0.00 O ATOM 1504 CB HIS B 617 7.840 -13.227 0.924 1.00 0.00 C ATOM 1505 CG HIS B 617 7.839 -14.387 -0.023 1.00 0.00 C ATOM 1506 ND1 HIS B 617 8.255 -14.288 -1.334 1.00 0.00 N ATOM 1507 CD2 HIS B 617 7.471 -15.677 0.157 1.00 0.00 C ATOM 1508 CE1 HIS B 617 8.141 -15.467 -1.920 1.00 0.00 C ATOM 1509 NE2 HIS B 617 7.668 -16.327 -1.036 1.00 0.00 N ATOM 0 H HIS B 617 7.124 -11.099 1.971 1.00 0.00 H new ATOM 0 HA HIS B 617 5.712 -13.431 1.129 1.00 0.00 H new ATOM 0 HB2 HIS B 617 7.992 -12.307 0.359 1.00 0.00 H new ATOM 0 HB3 HIS B 617 8.685 -13.326 1.606 1.00 0.00 H new ATOM 0 HD2 HIS B 617 7.093 -16.114 1.069 1.00 0.00 H new ATOM 0 HE1 HIS B 617 8.392 -15.689 -2.947 1.00 0.00 H new ATOM 0 HE2 HIS B 617 7.480 -17.314 -1.211 1.00 0.00 H new ATOM 1517 N GLN B 618 7.642 -13.757 3.808 1.00 0.00 N ATOM 1518 CA GLN B 618 7.830 -14.539 5.023 1.00 0.00 C ATOM 1519 C GLN B 618 8.820 -13.857 5.962 1.00 0.00 C ATOM 1520 O GLN B 618 9.777 -13.224 5.517 1.00 0.00 O ATOM 1521 CB GLN B 618 8.323 -15.946 4.678 1.00 0.00 C ATOM 1522 CG GLN B 618 8.737 -16.761 5.893 1.00 0.00 C ATOM 1523 CD GLN B 618 8.787 -18.249 5.608 1.00 0.00 C ATOM 1524 OE1 GLN B 618 9.849 -18.803 5.323 1.00 0.00 O ATOM 1525 NE2 GLN B 618 7.635 -18.905 5.684 1.00 0.00 N ATOM 0 H GLN B 618 8.341 -13.029 3.662 1.00 0.00 H new ATOM 0 HA GLN B 618 6.868 -14.612 5.530 1.00 0.00 H new ATOM 0 HB2 GLN B 618 7.534 -16.478 4.146 1.00 0.00 H new ATOM 0 HB3 GLN B 618 9.171 -15.868 3.997 1.00 0.00 H new ATOM 0 HG2 GLN B 618 9.717 -16.427 6.233 1.00 0.00 H new ATOM 0 HG3 GLN B 618 8.037 -16.574 6.707 1.00 0.00 H new ATOM 0 HE21 GLN B 618 6.779 -18.406 5.924 1.00 0.00 H new ATOM 0 HE22 GLN B 618 7.607 -19.908 5.503 1.00 0.00 H new ATOM 1534 N ALA B 619 8.583 -13.991 7.263 1.00 0.00 N ATOM 1535 CA ALA B 619 9.455 -13.389 8.264 1.00 0.00 C ATOM 1536 C ALA B 619 10.024 -14.447 9.203 1.00 0.00 C ATOM 1537 O ALA B 619 9.281 -15.226 9.801 1.00 0.00 O ATOM 1538 CB ALA B 619 8.699 -12.331 9.053 1.00 0.00 C ATOM 0 H ALA B 619 7.795 -14.511 7.648 1.00 0.00 H new ATOM 0 HA ALA B 619 10.289 -12.914 7.747 1.00 0.00 H new ATOM 0 HB1 ALA B 619 9.362 -11.889 9.797 1.00 0.00 H new ATOM 0 HB2 ALA B 619 8.346 -11.554 8.375 1.00 0.00 H new ATOM 0 HB3 ALA B 619 7.846 -12.790 9.553 1.00 0.00 H new ATOM 1544 N LYS B 620 11.347 -14.470 9.329 1.00 0.00 N ATOM 1545 CA LYS B 620 12.017 -15.431 10.197 1.00 0.00 C ATOM 1546 C LYS B 620 12.492 -14.764 11.484 1.00 0.00 C ATOM 1547 O LYS B 620 12.545 -13.538 11.575 1.00 0.00 O ATOM 1548 CB LYS B 620 13.205 -16.064 9.469 1.00 0.00 C ATOM 1549 CG LYS B 620 12.875 -16.542 8.066 1.00 0.00 C ATOM 1550 CD LYS B 620 14.000 -17.381 7.483 1.00 0.00 C ATOM 1551 CE LYS B 620 15.057 -16.512 6.819 1.00 0.00 C ATOM 1552 NZ LYS B 620 14.607 -16.007 5.493 1.00 0.00 N ATOM 0 H LYS B 620 11.977 -13.833 8.840 1.00 0.00 H new ATOM 0 HA LYS B 620 11.300 -16.210 10.456 1.00 0.00 H new ATOM 0 HB2 LYS B 620 14.016 -15.338 9.415 1.00 0.00 H new ATOM 0 HB3 LYS B 620 13.571 -16.907 10.054 1.00 0.00 H new ATOM 0 HG2 LYS B 620 11.956 -17.128 8.087 1.00 0.00 H new ATOM 0 HG3 LYS B 620 12.690 -15.682 7.422 1.00 0.00 H new ATOM 0 HD2 LYS B 620 14.460 -17.975 8.273 1.00 0.00 H new ATOM 0 HD3 LYS B 620 13.593 -18.081 6.754 1.00 0.00 H new ATOM 0 HE2 LYS B 620 15.293 -15.668 7.468 1.00 0.00 H new ATOM 0 HE3 LYS B 620 15.975 -17.087 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 620 15.400 -15.534 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 620 14.277 -16.804 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 620 13.829 -15.330 5.625 1.00 0.00 H new ATOM 1566 N GLU B 621 12.837 -15.580 12.475 1.00 0.00 N ATOM 1567 CA GLU B 621 13.308 -15.068 13.756 1.00 0.00 C ATOM 1568 C GLU B 621 14.818 -15.239 13.889 1.00 0.00 C ATOM 1569 O GLU B 621 15.299 -15.918 14.796 1.00 0.00 O ATOM 1570 CB GLU B 621 12.599 -15.783 14.909 1.00 0.00 C ATOM 1571 CG GLU B 621 11.180 -15.294 15.147 1.00 0.00 C ATOM 1572 CD GLU B 621 10.735 -15.476 16.585 1.00 0.00 C ATOM 1573 OE1 GLU B 621 11.423 -14.958 17.489 1.00 0.00 O ATOM 1574 OE2 GLU B 621 9.698 -16.136 16.807 1.00 0.00 O ATOM 0 H GLU B 621 12.799 -16.598 12.415 1.00 0.00 H new ATOM 0 HA GLU B 621 13.075 -14.004 13.800 1.00 0.00 H new ATOM 0 HB2 GLU B 621 12.576 -16.853 14.703 1.00 0.00 H new ATOM 0 HB3 GLU B 621 13.179 -15.647 15.822 1.00 0.00 H new ATOM 0 HG2 GLU B 621 11.113 -14.239 14.881 1.00 0.00 H new ATOM 0 HG3 GLU B 621 10.499 -15.833 14.489 1.00 0.00 H new ATOM 1581 N ALA B 622 15.561 -14.620 12.977 1.00 0.00 N ATOM 1582 CA ALA B 622 17.016 -14.702 12.992 1.00 0.00 C ATOM 1583 C ALA B 622 17.627 -13.487 13.682 1.00 0.00 C ATOM 1584 O ALA B 622 17.398 -12.349 13.274 1.00 0.00 O ATOM 1585 CB ALA B 622 17.552 -14.832 11.575 1.00 0.00 C ATOM 0 H ALA B 622 15.178 -14.056 12.218 1.00 0.00 H new ATOM 0 HA ALA B 622 17.299 -15.589 13.558 1.00 0.00 H new ATOM 0 HB1 ALA B 622 18.640 -14.892 11.602 1.00 0.00 H new ATOM 0 HB2 ALA B 622 17.150 -15.735 11.115 1.00 0.00 H new ATOM 0 HB3 ALA B 622 17.251 -13.962 10.991 1.00 0.00 H new ATOM 1591 N ALA B 623 18.406 -13.737 14.730 1.00 0.00 N ATOM 1592 CA ALA B 623 19.051 -12.663 15.475 1.00 0.00 C ATOM 1593 C ALA B 623 19.897 -11.789 14.556 1.00 0.00 C ATOM 1594 O ALA B 623 21.121 -11.734 14.689 1.00 0.00 O ATOM 1595 CB ALA B 623 19.906 -13.238 16.595 1.00 0.00 C ATOM 0 H ALA B 623 18.605 -14.673 15.082 1.00 0.00 H new ATOM 0 HA ALA B 623 18.272 -12.038 15.912 1.00 0.00 H new ATOM 0 HB1 ALA B 623 20.382 -12.425 17.143 1.00 0.00 H new ATOM 0 HB2 ALA B 623 19.277 -13.814 17.274 1.00 0.00 H new ATOM 0 HB3 ALA B 623 20.672 -13.887 16.171 1.00 0.00 H new TER 1601 ALA B 623