USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=14 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 81 HIS : no HE2:sc= -0.452 K(o=-0.89,f=-3.2) USER MOD Set 1.2: B 617 HIS : no HD1:sc= -0.441 K(o=-0.89,f=-2) USER MOD Set 2.1: B 599 SER OG : rot -136:sc= 0.0373 USER MOD Set 2.2: B 602 SER OG : rot 180:sc= 0.0454 USER MOD Set 3.1: B 558 GLN : amide:sc= -2.06 K(o=-3,f=-8.1!) USER MOD Set 3.2: B 590 ASN : amide:sc= -0.973 K(o=-3,f=-4.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00417 USER MOD Single : B 542 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 546 THR OG1 : rot 180:sc= 0 USER MOD Single : B 548 SER OG : rot 180:sc= 0.0203 USER MOD Single : B 549 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 552 SER OG : rot 74:sc= 0.243 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -3.01 K(o=-3,f=-6.4) USER MOD Single : B 573 MET CE :methyl -174:sc= 0 (180deg=-0.0687) USER MOD Single : B 574 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-2.5!) USER MOD Single : B 576 THR OG1 : rot 180:sc=0.000358 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 100:sc= 1.18 USER MOD Single : B 584 MET CE :methyl 178:sc= -1.71 (180deg=-1.75) 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 -150:sc= -4! (180deg=-6.57!) 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= -0.154 K(o=-0.15,f=-2!) USER MOD Single : B 618 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 73 2.134 9.353 -5.102 1.00 0.00 N ATOM 2 CA ALA A 73 2.695 8.119 -4.567 1.00 0.00 C ATOM 3 C ALA A 73 3.591 7.433 -5.593 1.00 0.00 C ATOM 4 O ALA A 73 3.417 7.607 -6.799 1.00 0.00 O ATOM 5 CB ALA A 73 1.582 7.181 -4.125 1.00 0.00 C ATOM 0 HA ALA A 73 3.306 8.373 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.016 6.263 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.984 7.664 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.947 6.942 -4.978 1.00 0.00 H new ATOM 11 N LYS A 74 4.552 6.655 -5.107 1.00 0.00 N ATOM 12 CA LYS A 74 5.476 5.942 -5.981 1.00 0.00 C ATOM 13 C LYS A 74 6.056 4.719 -5.277 1.00 0.00 C ATOM 14 O LYS A 74 7.245 4.661 -4.963 1.00 0.00 O ATOM 15 CB LYS A 74 6.606 6.871 -6.428 1.00 0.00 C ATOM 16 CG LYS A 74 7.233 7.658 -5.290 1.00 0.00 C ATOM 17 CD LYS A 74 8.252 8.663 -5.802 1.00 0.00 C ATOM 18 CE LYS A 74 9.560 7.986 -6.181 1.00 0.00 C ATOM 19 NZ LYS A 74 10.623 8.977 -6.506 1.00 0.00 N ATOM 0 H LYS A 74 4.711 6.502 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 74 4.923 5.606 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.379 6.279 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.219 7.568 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.454 8.180 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.715 6.972 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.846 9.185 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.439 9.416 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.893 7.353 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.396 7.334 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.499 8.476 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.316 9.565 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.797 9.583 -5.679 1.00 0.00 H new ATOM 33 N PRO A 75 5.200 3.718 -5.025 1.00 0.00 N ATOM 34 CA PRO A 75 5.607 2.477 -4.359 1.00 0.00 C ATOM 35 C PRO A 75 6.509 1.616 -5.236 1.00 0.00 C ATOM 36 O PRO A 75 6.206 1.374 -6.405 1.00 0.00 O ATOM 37 CB PRO A 75 4.278 1.765 -4.095 1.00 0.00 C ATOM 38 CG PRO A 75 3.351 2.295 -5.133 1.00 0.00 C ATOM 39 CD PRO A 75 3.769 3.720 -5.373 1.00 0.00 C ATOM 0 HA PRO A 75 6.190 2.670 -3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.386 0.683 -4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.909 1.975 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.416 1.709 -6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.316 2.244 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.608 4.017 -6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.205 4.415 -4.751 1.00 0.00 H new ATOM 47 N PHE A 76 7.617 1.156 -4.666 1.00 0.00 N ATOM 48 CA PHE A 76 8.563 0.322 -5.397 1.00 0.00 C ATOM 49 C PHE A 76 8.356 -1.154 -5.067 1.00 0.00 C ATOM 50 O PHE A 76 8.017 -1.507 -3.938 1.00 0.00 O ATOM 51 CB PHE A 76 10.000 0.733 -5.067 1.00 0.00 C ATOM 52 CG PHE A 76 11.037 -0.112 -5.749 1.00 0.00 C ATOM 53 CD1 PHE A 76 10.984 -0.326 -7.117 1.00 0.00 C ATOM 54 CD2 PHE A 76 12.065 -0.692 -5.023 1.00 0.00 C ATOM 55 CE1 PHE A 76 11.938 -1.103 -7.749 1.00 0.00 C ATOM 56 CE2 PHE A 76 13.021 -1.469 -5.649 1.00 0.00 C ATOM 57 CZ PHE A 76 12.957 -1.676 -7.013 1.00 0.00 C ATOM 0 H PHE A 76 7.882 1.347 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 76 8.387 0.466 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.146 1.775 -5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.147 0.675 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.189 0.119 -7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 76 12.120 -0.535 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.886 -1.261 -8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.818 -1.914 -5.072 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.702 -2.285 -7.503 1.00 0.00 H new ATOM 67 N VAL A 77 8.561 -2.011 -6.062 1.00 0.00 N ATOM 68 CA VAL A 77 8.397 -3.448 -5.879 1.00 0.00 C ATOM 69 C VAL A 77 9.736 -4.171 -5.980 1.00 0.00 C ATOM 70 O VAL A 77 10.054 -4.802 -6.988 1.00 0.00 O ATOM 71 CB VAL A 77 7.427 -4.039 -6.919 1.00 0.00 C ATOM 72 CG1 VAL A 77 7.859 -3.662 -8.328 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.339 -5.550 -6.766 1.00 0.00 C ATOM 0 H VAL A 77 8.841 -1.735 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 77 7.982 -3.595 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 77 6.436 -3.620 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.162 -4.089 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.866 -2.577 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.860 -4.050 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.649 -5.951 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.326 -5.989 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.979 -5.794 -5.767 1.00 0.00 H new ATOM 83 N PRO A 78 10.540 -4.079 -4.910 1.00 0.00 N ATOM 84 CA PRO A 78 11.857 -4.719 -4.853 1.00 0.00 C ATOM 85 C PRO A 78 11.760 -6.239 -4.772 1.00 0.00 C ATOM 86 O PRO A 78 10.671 -6.794 -4.637 1.00 0.00 O ATOM 87 CB PRO A 78 12.471 -4.153 -3.570 1.00 0.00 C ATOM 88 CG PRO A 78 11.303 -3.782 -2.723 1.00 0.00 C ATOM 89 CD PRO A 78 10.224 -3.344 -3.674 1.00 0.00 C ATOM 0 HA PRO A 78 12.446 -4.519 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.101 -4.891 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.099 -3.287 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.973 -4.629 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.562 -2.981 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.232 -3.596 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.241 -2.266 -3.832 1.00 0.00 H new ATOM 97 N ASN A 79 12.907 -6.906 -4.855 1.00 0.00 N ATOM 98 CA ASN A 79 12.951 -8.362 -4.791 1.00 0.00 C ATOM 99 C ASN A 79 13.720 -8.829 -3.560 1.00 0.00 C ATOM 100 O ASN A 79 14.950 -8.781 -3.527 1.00 0.00 O ATOM 101 CB ASN A 79 13.598 -8.930 -6.056 1.00 0.00 C ATOM 102 CG ASN A 79 12.573 -9.445 -7.048 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.723 -10.533 -7.604 1.00 0.00 O ATOM 104 ND2 ASN A 79 11.524 -8.663 -7.275 1.00 0.00 N ATOM 0 H ASN A 79 13.818 -6.461 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 79 11.927 -8.729 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.202 -8.157 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.274 -9.740 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.802 -8.957 -7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.440 -7.769 -6.792 1.00 0.00 H new ATOM 111 N VAL A 80 12.987 -9.283 -2.548 1.00 0.00 N ATOM 112 CA VAL A 80 13.600 -9.761 -1.314 1.00 0.00 C ATOM 113 C VAL A 80 14.688 -10.789 -1.604 1.00 0.00 C ATOM 114 O VAL A 80 15.626 -10.954 -0.822 1.00 0.00 O ATOM 115 CB VAL A 80 12.554 -10.389 -0.374 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.675 -11.371 -1.133 1.00 0.00 C ATOM 117 CG2 VAL A 80 13.236 -11.070 0.803 1.00 0.00 C ATOM 0 H VAL A 80 11.968 -9.330 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 80 14.044 -8.894 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 80 11.917 -9.594 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.942 -11.805 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.158 -10.849 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.294 -12.164 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.482 -11.508 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.898 -11.854 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.818 -10.336 1.361 1.00 0.00 H new ATOM 127 N HIS A 81 14.558 -11.479 -2.732 1.00 0.00 N ATOM 128 CA HIS A 81 15.531 -12.491 -3.126 1.00 0.00 C ATOM 129 C HIS A 81 16.799 -11.842 -3.673 1.00 0.00 C ATOM 130 O HIS A 81 17.178 -12.068 -4.822 1.00 0.00 O ATOM 131 CB HIS A 81 14.930 -13.426 -4.176 1.00 0.00 C ATOM 132 CG HIS A 81 13.579 -13.954 -3.804 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.402 -13.346 -4.186 1.00 0.00 N ATOM 134 CD2 HIS A 81 13.221 -15.041 -3.081 1.00 0.00 C ATOM 135 CE1 HIS A 81 11.379 -14.036 -3.713 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.849 -15.069 -3.039 1.00 0.00 N ATOM 0 H HIS A 81 13.788 -11.356 -3.390 1.00 0.00 H new ATOM 0 HA HIS A 81 15.793 -13.071 -2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.855 -12.894 -5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.608 -14.265 -4.334 1.00 0.00 H new ATOM 0 HD1 HIS A 81 12.332 -12.496 -4.746 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.890 -15.754 -2.622 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.336 -13.796 -3.854 1.00 0.00 H new ATOM 144 N ALA A 82 17.450 -11.034 -2.842 1.00 0.00 N ATOM 145 CA ALA A 82 18.675 -10.354 -3.242 1.00 0.00 C ATOM 146 C ALA A 82 19.857 -10.805 -2.391 1.00 0.00 C ATOM 147 O ALA A 82 19.884 -10.582 -1.181 1.00 0.00 O ATOM 148 CB ALA A 82 18.498 -8.846 -3.144 1.00 0.00 C ATOM 0 H ALA A 82 17.149 -10.835 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 82 18.885 -10.618 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.421 -8.351 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.686 -8.532 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.260 -8.574 -2.116 1.00 0.00 H new ATOM 154 N ALA A 83 20.833 -11.442 -3.031 1.00 0.00 N ATOM 155 CA ALA A 83 22.018 -11.924 -2.332 1.00 0.00 C ATOM 156 C ALA A 83 22.889 -10.763 -1.865 1.00 0.00 C ATOM 157 O ALA A 83 22.824 -9.665 -2.417 1.00 0.00 O ATOM 158 CB ALA A 83 22.816 -12.858 -3.230 1.00 0.00 C ATOM 0 H ALA A 83 20.826 -11.636 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 83 21.692 -12.476 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.698 -13.211 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.197 -13.710 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 83 23.125 -12.323 -4.128 1.00 0.00 H new ATOM 164 N GLU A 84 23.704 -11.014 -0.846 1.00 0.00 N ATOM 165 CA GLU A 84 24.588 -9.988 -0.304 1.00 0.00 C ATOM 166 C GLU A 84 25.401 -9.329 -1.415 1.00 0.00 C ATOM 167 O GLU A 84 25.989 -10.009 -2.256 1.00 0.00 O ATOM 168 CB GLU A 84 25.528 -10.593 0.741 1.00 0.00 C ATOM 169 CG GLU A 84 26.576 -11.522 0.152 1.00 0.00 C ATOM 170 CD GLU A 84 27.439 -12.175 1.214 1.00 0.00 C ATOM 171 OE1 GLU A 84 27.538 -11.615 2.326 1.00 0.00 O ATOM 172 OE2 GLU A 84 28.016 -13.246 0.933 1.00 0.00 O ATOM 0 H GLU A 84 23.771 -11.918 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 84 23.970 -9.226 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.029 -9.787 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 84 24.937 -11.143 1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.081 -12.296 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.211 -10.960 -0.532 1.00 0.00 H new ATOM 179 N PHE A 85 25.430 -8.001 -1.410 1.00 0.00 N ATOM 180 CA PHE A 85 26.169 -7.249 -2.418 1.00 0.00 C ATOM 181 C PHE A 85 27.657 -7.581 -2.361 1.00 0.00 C ATOM 182 O PHE A 85 28.357 -7.521 -3.372 1.00 0.00 O ATOM 183 CB PHE A 85 25.962 -5.746 -2.217 1.00 0.00 C ATOM 184 CG PHE A 85 26.980 -5.117 -1.308 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.948 -5.352 0.057 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.967 -4.290 -1.820 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.884 -4.775 0.895 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.905 -3.711 -0.986 1.00 0.00 C ATOM 189 CZ PHE A 85 28.863 -3.952 0.373 1.00 0.00 C ATOM 0 H PHE A 85 24.951 -7.423 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 85 25.788 -7.533 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.997 -5.250 -3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.966 -5.576 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.184 -5.993 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.004 -4.096 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.850 -4.968 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.671 -3.070 -1.397 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.594 -3.498 1.026 1.00 0.00 H new ATOM 199 N VAL A 86 28.134 -7.930 -1.170 1.00 0.00 N ATOM 200 CA VAL A 86 29.539 -8.272 -0.980 1.00 0.00 C ATOM 201 C VAL A 86 30.001 -9.294 -2.013 1.00 0.00 C ATOM 202 O VAL A 86 29.631 -10.467 -1.969 1.00 0.00 O ATOM 203 CB VAL A 86 29.793 -8.834 0.432 1.00 0.00 C ATOM 204 CG1 VAL A 86 31.259 -9.201 0.604 1.00 0.00 C ATOM 205 CG2 VAL A 86 29.359 -7.831 1.490 1.00 0.00 C ATOM 0 H VAL A 86 27.568 -7.983 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 86 30.109 -7.351 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 86 29.199 -9.739 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 86 31.420 -9.596 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 86 31.534 -9.957 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 86 31.875 -8.314 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 86 29.545 -8.244 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.925 -6.907 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 86 28.295 -7.622 1.378 1.00 0.00 H new ATOM 215 N PRO A 87 30.829 -8.840 -2.965 1.00 0.00 N ATOM 216 CA PRO A 87 31.360 -9.698 -4.027 1.00 0.00 C ATOM 217 C PRO A 87 32.366 -10.716 -3.501 1.00 0.00 C ATOM 218 O PRO A 87 32.755 -11.643 -4.211 1.00 0.00 O ATOM 219 CB PRO A 87 32.046 -8.710 -4.973 1.00 0.00 C ATOM 220 CG PRO A 87 32.396 -7.544 -4.114 1.00 0.00 C ATOM 221 CD PRO A 87 31.310 -7.452 -3.078 1.00 0.00 C ATOM 0 HA PRO A 87 30.577 -10.290 -4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 87 32.935 -9.148 -5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 87 31.384 -8.417 -5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 87 33.371 -7.683 -3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 87 32.452 -6.628 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 87 31.692 -7.080 -2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 87 30.514 -6.775 -3.389 1.00 0.00 H new ATOM 229 N SER A 88 32.782 -10.538 -2.251 1.00 0.00 N ATOM 230 CA SER A 88 33.746 -11.440 -1.631 1.00 0.00 C ATOM 231 C SER A 88 33.232 -12.877 -1.645 1.00 0.00 C ATOM 232 O SER A 88 32.108 -13.142 -2.069 1.00 0.00 O ATOM 233 CB SER A 88 34.032 -11.003 -0.193 1.00 0.00 C ATOM 234 OG SER A 88 35.278 -11.510 0.256 1.00 0.00 O ATOM 0 H SER A 88 32.467 -9.778 -1.648 1.00 0.00 H new ATOM 0 HA SER A 88 34.670 -11.397 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 88 34.036 -9.915 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 88 33.235 -11.354 0.463 1.00 0.00 H new ATOM 0 HG SER A 88 35.438 -11.215 1.177 1.00 0.00 H new ATOM 240 N PHE A 89 34.066 -13.801 -1.178 1.00 0.00 N ATOM 241 CA PHE A 89 33.698 -15.211 -1.138 1.00 0.00 C ATOM 242 C PHE A 89 33.930 -15.794 0.253 1.00 0.00 C ATOM 243 O PHE A 89 33.840 -17.006 0.454 1.00 0.00 O ATOM 244 CB PHE A 89 34.502 -16.000 -2.174 1.00 0.00 C ATOM 245 CG PHE A 89 35.963 -15.654 -2.189 1.00 0.00 C ATOM 246 CD1 PHE A 89 36.759 -15.903 -1.082 1.00 0.00 C ATOM 247 CD2 PHE A 89 36.542 -15.080 -3.309 1.00 0.00 C ATOM 248 CE1 PHE A 89 38.104 -15.585 -1.093 1.00 0.00 C ATOM 249 CE2 PHE A 89 37.886 -14.760 -3.326 1.00 0.00 C ATOM 250 CZ PHE A 89 38.669 -15.014 -2.216 1.00 0.00 C ATOM 0 H PHE A 89 35.000 -13.598 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 89 32.637 -15.290 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 89 34.391 -17.066 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 89 34.083 -15.817 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 89 36.323 -16.351 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 89 35.935 -14.880 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 89 38.713 -15.783 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 89 38.324 -14.312 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 89 39.720 -14.766 -2.227 1.00 0.00 H new ATOM 260 N LEU A 90 34.230 -14.923 1.211 1.00 0.00 N ATOM 261 CA LEU A 90 34.477 -15.350 2.584 1.00 0.00 C ATOM 262 C LEU A 90 33.215 -15.216 3.430 1.00 0.00 C ATOM 263 O LEU A 90 32.163 -14.811 2.935 1.00 0.00 O ATOM 264 CB LEU A 90 35.608 -14.526 3.200 1.00 0.00 C ATOM 265 CG LEU A 90 36.914 -15.274 3.470 1.00 0.00 C ATOM 266 CD1 LEU A 90 36.674 -16.442 4.414 1.00 0.00 C ATOM 267 CD2 LEU A 90 37.531 -15.759 2.166 1.00 0.00 C ATOM 0 H LEU A 90 34.308 -13.917 1.062 1.00 0.00 H new ATOM 0 HA LEU A 90 34.770 -16.400 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 90 35.823 -13.688 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 90 35.253 -14.105 4.141 1.00 0.00 H new ATOM 0 HG LEU A 90 37.613 -14.586 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 90 37.614 -16.963 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 90 36.277 -16.071 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 90 35.958 -17.131 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 90 38.460 -16.289 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 90 36.836 -16.431 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 90 37.740 -14.905 1.522 1.00 0.00 H new ATOM 279 N ARG A 91 33.328 -15.555 4.710 1.00 0.00 N ATOM 280 CA ARG A 91 32.197 -15.472 5.626 1.00 0.00 C ATOM 281 C ARG A 91 32.671 -15.224 7.055 1.00 0.00 C ATOM 282 O ARG A 91 33.867 -15.080 7.306 1.00 0.00 O ATOM 283 CB ARG A 91 31.370 -16.757 5.567 1.00 0.00 C ATOM 284 CG ARG A 91 31.930 -17.882 6.422 1.00 0.00 C ATOM 285 CD ARG A 91 33.327 -18.280 5.972 1.00 0.00 C ATOM 286 NE ARG A 91 33.385 -18.549 4.538 1.00 0.00 N ATOM 287 CZ ARG A 91 32.987 -19.690 3.988 1.00 0.00 C ATOM 288 NH1 ARG A 91 32.506 -20.664 4.747 1.00 0.00 N ATOM 289 NH2 ARG A 91 33.071 -19.859 2.674 1.00 0.00 N ATOM 0 H ARG A 91 34.192 -15.890 5.136 1.00 0.00 H new ATOM 0 HA ARG A 91 31.574 -14.633 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 91 30.352 -16.539 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 91 31.311 -17.094 4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 91 31.958 -17.568 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 91 31.268 -18.747 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 91 34.028 -17.483 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 91 33.645 -19.167 6.520 1.00 0.00 H new ATOM 0 HE ARG A 91 33.751 -17.820 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 91 32.441 -20.538 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 91 32.201 -21.539 4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 91 33.441 -19.112 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 91 32.765 -20.736 2.252 1.00 0.00 H new ATOM 303 N GLY A 92 31.725 -15.177 7.987 1.00 0.00 N ATOM 304 CA GLY A 92 32.066 -14.946 9.379 1.00 0.00 C ATOM 305 C GLY A 92 30.869 -14.520 10.206 1.00 0.00 C ATOM 306 O GLY A 92 30.766 -13.374 10.644 1.00 0.00 O ATOM 0 H GLY A 92 30.729 -15.295 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 92 32.490 -15.857 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 92 32.837 -14.178 9.438 1.00 0.00 H new ATOM 310 N PRO A 93 29.936 -15.457 10.430 1.00 0.00 N ATOM 311 CA PRO A 93 28.723 -15.196 11.211 1.00 0.00 C ATOM 312 C PRO A 93 29.019 -14.997 12.693 1.00 0.00 C ATOM 313 O PRO A 93 29.702 -15.811 13.314 1.00 0.00 O ATOM 314 CB PRO A 93 27.885 -16.459 10.998 1.00 0.00 C ATOM 315 CG PRO A 93 28.879 -17.524 10.685 1.00 0.00 C ATOM 316 CD PRO A 93 29.994 -16.845 9.940 1.00 0.00 C ATOM 0 HA PRO A 93 28.225 -14.279 10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 93 27.307 -16.706 11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 93 27.173 -16.329 10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 93 29.248 -17.993 11.597 1.00 0.00 H new ATOM 0 HG3 PRO A 93 28.429 -18.312 10.081 1.00 0.00 H new ATOM 0 HD2 PRO A 93 30.959 -17.306 10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 93 29.847 -16.897 8.861 1.00 0.00 H new ATOM 324 N ALA A 94 28.501 -13.909 13.255 1.00 0.00 N ATOM 325 CA ALA A 94 28.708 -13.605 14.665 1.00 0.00 C ATOM 326 C ALA A 94 27.496 -14.008 15.497 1.00 0.00 C ATOM 327 O ALA A 94 27.291 -13.447 16.573 1.00 0.00 O ATOM 328 CB ALA A 94 29.008 -12.124 14.847 1.00 0.00 C ATOM 0 H ALA A 94 27.935 -13.224 12.755 1.00 0.00 H new ATOM 0 HA ALA A 94 29.563 -14.183 15.014 1.00 0.00 H new ATOM 0 HB1 ALA A 94 29.160 -11.911 15.905 1.00 0.00 H new ATOM 0 HB2 ALA A 94 29.909 -11.864 14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 94 28.170 -11.535 14.475 1.00 0.00 H new TER 334 ALA A 94 ATOM 335 N GLY B 541 41.214 6.503 6.327 1.00 0.00 N ATOM 336 CA GLY B 541 40.815 7.028 5.033 1.00 0.00 C ATOM 337 C GLY B 541 39.315 7.215 4.921 1.00 0.00 C ATOM 338 O GLY B 541 38.610 6.337 4.424 1.00 0.00 O ATOM 0 HA2 GLY B 541 41.311 7.984 4.863 1.00 0.00 H new ATOM 0 HA3 GLY B 541 41.153 6.350 4.249 1.00 0.00 H new ATOM 342 N GLN B 542 38.827 8.361 5.385 1.00 0.00 N ATOM 343 CA GLN B 542 37.400 8.658 5.336 1.00 0.00 C ATOM 344 C GLN B 542 37.105 9.741 4.303 1.00 0.00 C ATOM 345 O GLN B 542 37.274 10.930 4.572 1.00 0.00 O ATOM 346 CB GLN B 542 36.903 9.101 6.713 1.00 0.00 C ATOM 347 CG GLN B 542 35.388 9.162 6.822 1.00 0.00 C ATOM 348 CD GLN B 542 34.907 9.197 8.259 1.00 0.00 C ATOM 349 OE1 GLN B 542 35.666 9.520 9.172 1.00 0.00 O ATOM 350 NE2 GLN B 542 33.638 8.863 8.467 1.00 0.00 N ATOM 0 H GLN B 542 39.398 9.098 5.799 1.00 0.00 H new ATOM 0 HA GLN B 542 36.875 7.749 5.043 1.00 0.00 H new ATOM 0 HB2 GLN B 542 37.286 8.413 7.467 1.00 0.00 H new ATOM 0 HB3 GLN B 542 37.315 10.084 6.940 1.00 0.00 H new ATOM 0 HG2 GLN B 542 35.025 10.047 6.300 1.00 0.00 H new ATOM 0 HG3 GLN B 542 34.956 8.296 6.319 1.00 0.00 H new ATOM 0 HE21 GLN B 542 33.044 8.602 7.680 1.00 0.00 H new ATOM 0 HE22 GLN B 542 33.258 8.868 9.414 1.00 0.00 H new ATOM 359 N GLU B 543 36.664 9.321 3.122 1.00 0.00 N ATOM 360 CA GLU B 543 36.347 10.256 2.049 1.00 0.00 C ATOM 361 C GLU B 543 34.968 9.965 1.463 1.00 0.00 C ATOM 362 O GLU B 543 34.591 8.814 1.240 1.00 0.00 O ATOM 363 CB GLU B 543 37.407 10.181 0.948 1.00 0.00 C ATOM 364 CG GLU B 543 37.084 11.036 -0.266 1.00 0.00 C ATOM 365 CD GLU B 543 38.017 10.770 -1.432 1.00 0.00 C ATOM 366 OE1 GLU B 543 38.809 9.808 -1.351 1.00 0.00 O ATOM 367 OE2 GLU B 543 37.954 11.524 -2.425 1.00 0.00 O ATOM 0 H GLU B 543 36.518 8.340 2.884 1.00 0.00 H new ATOM 0 HA GLU B 543 36.339 11.262 2.469 1.00 0.00 H new ATOM 0 HB2 GLU B 543 38.367 10.494 1.358 1.00 0.00 H new ATOM 0 HB3 GLU B 543 37.518 9.144 0.632 1.00 0.00 H new ATOM 0 HG2 GLU B 543 36.057 10.846 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU B 543 37.144 12.089 0.009 1.00 0.00 H new ATOM 374 N PRO B 544 34.196 11.032 1.209 1.00 0.00 N ATOM 375 CA PRO B 544 32.847 10.917 0.647 1.00 0.00 C ATOM 376 C PRO B 544 32.863 10.460 -0.808 1.00 0.00 C ATOM 377 O PRO B 544 33.920 10.155 -1.362 1.00 0.00 O ATOM 378 CB PRO B 544 32.297 12.342 0.754 1.00 0.00 C ATOM 379 CG PRO B 544 33.503 13.215 0.754 1.00 0.00 C ATOM 380 CD PRO B 544 34.581 12.432 1.451 1.00 0.00 C ATOM 0 HA PRO B 544 32.248 10.173 1.172 1.00 0.00 H new ATOM 0 HB2 PRO B 544 31.639 12.576 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO B 544 31.713 12.474 1.665 1.00 0.00 H new ATOM 0 HG2 PRO B 544 33.801 13.469 -0.263 1.00 0.00 H new ATOM 0 HG3 PRO B 544 33.305 14.153 1.272 1.00 0.00 H new ATOM 0 HD2 PRO B 544 35.567 12.654 1.043 1.00 0.00 H new ATOM 0 HD3 PRO B 544 34.619 12.660 2.516 1.00 0.00 H new ATOM 388 N LEU B 545 31.685 10.414 -1.421 1.00 0.00 N ATOM 389 CA LEU B 545 31.563 9.993 -2.812 1.00 0.00 C ATOM 390 C LEU B 545 30.934 11.094 -3.660 1.00 0.00 C ATOM 391 O LEU B 545 29.982 11.751 -3.238 1.00 0.00 O ATOM 392 CB LEU B 545 30.726 8.717 -2.909 1.00 0.00 C ATOM 393 CG LEU B 545 31.501 7.400 -2.859 1.00 0.00 C ATOM 394 CD1 LEU B 545 32.229 7.259 -1.532 1.00 0.00 C ATOM 395 CD2 LEU B 545 30.565 6.221 -3.084 1.00 0.00 C ATOM 0 H LEU B 545 30.801 10.663 -0.977 1.00 0.00 H new ATOM 0 HA LEU B 545 32.564 9.792 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU B 545 30.001 8.720 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU B 545 30.160 8.747 -3.840 1.00 0.00 H new ATOM 0 HG LEU B 545 32.243 7.407 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU B 545 32.775 6.316 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU B 545 32.929 8.086 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU B 545 31.506 7.274 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU B 545 31.134 5.292 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU B 545 29.800 6.211 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU B 545 30.090 6.315 -4.061 1.00 0.00 H new ATOM 407 N THR B 546 31.469 11.288 -4.862 1.00 0.00 N ATOM 408 CA THR B 546 30.960 12.308 -5.770 1.00 0.00 C ATOM 409 C THR B 546 30.782 11.751 -7.178 1.00 0.00 C ATOM 410 O THR B 546 31.519 10.861 -7.601 1.00 0.00 O ATOM 411 CB THR B 546 31.898 13.528 -5.827 1.00 0.00 C ATOM 412 OG1 THR B 546 33.244 13.101 -6.063 1.00 0.00 O ATOM 413 CG2 THR B 546 31.832 14.323 -4.532 1.00 0.00 C ATOM 0 H THR B 546 32.255 10.751 -5.229 1.00 0.00 H new ATOM 0 HA THR B 546 29.991 12.622 -5.382 1.00 0.00 H new ATOM 0 HB THR B 546 31.573 14.170 -6.645 1.00 0.00 H new ATOM 0 HG1 THR B 546 33.834 13.883 -6.100 1.00 0.00 H new ATOM 0 HG21 THR B 546 32.503 15.180 -4.596 1.00 0.00 H new ATOM 0 HG22 THR B 546 30.812 14.672 -4.371 1.00 0.00 H new ATOM 0 HG23 THR B 546 32.134 13.688 -3.699 1.00 0.00 H new ATOM 421 N ALA B 547 29.800 12.281 -7.899 1.00 0.00 N ATOM 422 CA ALA B 547 29.527 11.838 -9.261 1.00 0.00 C ATOM 423 C ALA B 547 30.784 11.906 -10.122 1.00 0.00 C ATOM 424 O ALA B 547 31.119 10.952 -10.824 1.00 0.00 O ATOM 425 CB ALA B 547 28.417 12.677 -9.876 1.00 0.00 C ATOM 0 H ALA B 547 29.180 13.018 -7.563 1.00 0.00 H new ATOM 0 HA ALA B 547 29.202 10.799 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA B 547 28.224 12.335 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA B 547 27.510 12.574 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA B 547 28.721 13.724 -9.897 1.00 0.00 H new ATOM 431 N SER B 548 31.475 13.040 -10.064 1.00 0.00 N ATOM 432 CA SER B 548 32.693 13.234 -10.842 1.00 0.00 C ATOM 433 C SER B 548 33.678 12.095 -10.602 1.00 0.00 C ATOM 434 O SER B 548 34.390 11.673 -11.513 1.00 0.00 O ATOM 435 CB SER B 548 33.344 14.571 -10.484 1.00 0.00 C ATOM 436 OG SER B 548 32.374 15.597 -10.370 1.00 0.00 O ATOM 0 H SER B 548 31.212 13.838 -9.486 1.00 0.00 H new ATOM 0 HA SER B 548 32.423 13.241 -11.898 1.00 0.00 H new ATOM 0 HB2 SER B 548 33.887 14.474 -9.544 1.00 0.00 H new ATOM 0 HB3 SER B 548 34.074 14.840 -11.248 1.00 0.00 H new ATOM 0 HG SER B 548 32.816 16.441 -10.139 1.00 0.00 H new ATOM 442 N MET B 549 33.713 11.601 -9.368 1.00 0.00 N ATOM 443 CA MET B 549 34.610 10.509 -9.007 1.00 0.00 C ATOM 444 C MET B 549 34.047 9.168 -9.467 1.00 0.00 C ATOM 445 O MET B 549 34.725 8.401 -10.151 1.00 0.00 O ATOM 446 CB MET B 549 34.840 10.488 -7.495 1.00 0.00 C ATOM 447 CG MET B 549 35.585 9.255 -7.010 1.00 0.00 C ATOM 448 SD MET B 549 36.664 9.602 -5.609 1.00 0.00 S ATOM 449 CE MET B 549 36.286 8.216 -4.539 1.00 0.00 C ATOM 0 H MET B 549 33.131 11.940 -8.602 1.00 0.00 H new ATOM 0 HA MET B 549 35.563 10.674 -9.509 1.00 0.00 H new ATOM 0 HB2 MET B 549 35.401 11.377 -7.209 1.00 0.00 H new ATOM 0 HB3 MET B 549 33.876 10.543 -6.988 1.00 0.00 H new ATOM 0 HG2 MET B 549 34.864 8.488 -6.727 1.00 0.00 H new ATOM 0 HG3 MET B 549 36.179 8.848 -7.829 1.00 0.00 H new ATOM 0 HE1 MET B 549 36.877 8.289 -3.626 1.00 0.00 H new ATOM 0 HE2 MET B 549 35.226 8.230 -4.286 1.00 0.00 H new ATOM 0 HE3 MET B 549 36.524 7.284 -5.052 1.00 0.00 H new ATOM 459 N LEU B 550 32.805 8.892 -9.087 1.00 0.00 N ATOM 460 CA LEU B 550 32.151 7.643 -9.461 1.00 0.00 C ATOM 461 C LEU B 550 32.235 7.413 -10.966 1.00 0.00 C ATOM 462 O LEU B 550 32.414 6.284 -11.422 1.00 0.00 O ATOM 463 CB LEU B 550 30.687 7.659 -9.017 1.00 0.00 C ATOM 464 CG LEU B 550 30.403 7.109 -7.619 1.00 0.00 C ATOM 465 CD1 LEU B 550 30.618 5.604 -7.583 1.00 0.00 C ATOM 466 CD2 LEU B 550 31.282 7.800 -6.586 1.00 0.00 C ATOM 0 H LEU B 550 32.230 9.516 -8.520 1.00 0.00 H new ATOM 0 HA LEU B 550 32.669 6.826 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU B 550 30.326 8.687 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU B 550 30.104 7.085 -9.737 1.00 0.00 H new ATOM 0 HG LEU B 550 29.360 7.312 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU B 550 30.411 5.231 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU B 550 29.947 5.123 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU B 550 31.651 5.378 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU B 550 31.067 7.396 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU B 550 32.331 7.628 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU B 550 31.079 8.871 -6.593 1.00 0.00 H new ATOM 478 N ALA B 551 32.107 8.491 -11.733 1.00 0.00 N ATOM 479 CA ALA B 551 32.173 8.407 -13.186 1.00 0.00 C ATOM 480 C ALA B 551 33.539 7.908 -13.646 1.00 0.00 C ATOM 481 O ALA B 551 33.637 7.095 -14.564 1.00 0.00 O ATOM 482 CB ALA B 551 31.867 9.762 -13.808 1.00 0.00 C ATOM 0 H ALA B 551 31.957 9.433 -11.371 1.00 0.00 H new ATOM 0 HA ALA B 551 31.423 7.689 -13.518 1.00 0.00 H new ATOM 0 HB1 ALA B 551 31.920 9.684 -14.894 1.00 0.00 H new ATOM 0 HB2 ALA B 551 30.866 10.079 -13.515 1.00 0.00 H new ATOM 0 HB3 ALA B 551 32.596 10.495 -13.461 1.00 0.00 H new ATOM 488 N SER B 552 34.592 8.403 -13.002 1.00 0.00 N ATOM 489 CA SER B 552 35.953 8.010 -13.348 1.00 0.00 C ATOM 490 C SER B 552 36.115 6.495 -13.284 1.00 0.00 C ATOM 491 O SER B 552 36.964 5.921 -13.964 1.00 0.00 O ATOM 492 CB SER B 552 36.955 8.682 -12.406 1.00 0.00 C ATOM 493 OG SER B 552 36.805 10.091 -12.422 1.00 0.00 O ATOM 0 H SER B 552 34.528 9.076 -12.238 1.00 0.00 H new ATOM 0 HA SER B 552 36.150 8.335 -14.370 1.00 0.00 H new ATOM 0 HB2 SER B 552 36.811 8.309 -11.392 1.00 0.00 H new ATOM 0 HB3 SER B 552 37.970 8.418 -12.702 1.00 0.00 H new ATOM 0 HG SER B 552 35.995 10.339 -11.930 1.00 0.00 H new ATOM 499 N ALA B 553 35.292 5.852 -12.461 1.00 0.00 N ATOM 500 CA ALA B 553 35.341 4.404 -12.308 1.00 0.00 C ATOM 501 C ALA B 553 34.339 3.720 -13.232 1.00 0.00 C ATOM 502 O ALA B 553 33.385 4.332 -13.714 1.00 0.00 O ATOM 503 CB ALA B 553 35.078 4.016 -10.861 1.00 0.00 C ATOM 0 H ALA B 553 34.583 6.312 -11.890 1.00 0.00 H new ATOM 0 HA ALA B 553 36.340 4.068 -12.586 1.00 0.00 H new ATOM 0 HB1 ALA B 553 35.118 2.931 -10.762 1.00 0.00 H new ATOM 0 HB2 ALA B 553 35.836 4.467 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA B 553 34.092 4.372 -10.562 1.00 0.00 H new ATOM 509 N PRO B 554 34.557 2.421 -13.486 1.00 0.00 N ATOM 510 CA PRO B 554 33.683 1.627 -14.354 1.00 0.00 C ATOM 511 C PRO B 554 32.316 1.375 -13.726 1.00 0.00 C ATOM 512 O PRO B 554 32.098 1.615 -12.538 1.00 0.00 O ATOM 513 CB PRO B 554 34.447 0.311 -14.517 1.00 0.00 C ATOM 514 CG PRO B 554 35.302 0.216 -13.302 1.00 0.00 C ATOM 515 CD PRO B 554 35.674 1.628 -12.945 1.00 0.00 C ATOM 0 HA PRO B 554 33.474 2.134 -15.296 1.00 0.00 H new ATOM 0 HB2 PRO B 554 33.765 -0.536 -14.588 1.00 0.00 H new ATOM 0 HB3 PRO B 554 35.049 0.313 -15.426 1.00 0.00 H new ATOM 0 HG2 PRO B 554 34.765 -0.265 -12.484 1.00 0.00 H new ATOM 0 HG3 PRO B 554 36.191 -0.384 -13.496 1.00 0.00 H new ATOM 0 HD2 PRO B 554 35.774 1.757 -11.867 1.00 0.00 H new ATOM 0 HD3 PRO B 554 36.626 1.918 -13.390 1.00 0.00 H new ATOM 523 N PRO B 555 31.372 0.880 -14.540 1.00 0.00 N ATOM 524 CA PRO B 555 30.010 0.584 -14.085 1.00 0.00 C ATOM 525 C PRO B 555 29.962 -0.612 -13.140 1.00 0.00 C ATOM 526 O PRO B 555 28.939 -0.873 -12.507 1.00 0.00 O ATOM 527 CB PRO B 555 29.263 0.270 -15.383 1.00 0.00 C ATOM 528 CG PRO B 555 30.319 -0.197 -16.325 1.00 0.00 C ATOM 529 CD PRO B 555 31.561 0.570 -15.967 1.00 0.00 C ATOM 0 HA PRO B 555 29.580 1.411 -13.519 1.00 0.00 H new ATOM 0 HB2 PRO B 555 28.504 -0.497 -15.227 1.00 0.00 H new ATOM 0 HB3 PRO B 555 28.751 1.152 -15.768 1.00 0.00 H new ATOM 0 HG2 PRO B 555 30.482 -1.270 -16.228 1.00 0.00 H new ATOM 0 HG3 PRO B 555 30.030 -0.011 -17.359 1.00 0.00 H new ATOM 0 HD2 PRO B 555 32.461 -0.022 -16.134 1.00 0.00 H new ATOM 0 HD3 PRO B 555 31.660 1.476 -16.565 1.00 0.00 H new ATOM 537 N GLN B 556 31.074 -1.335 -13.050 1.00 0.00 N ATOM 538 CA GLN B 556 31.156 -2.504 -12.182 1.00 0.00 C ATOM 539 C GLN B 556 31.740 -2.132 -10.823 1.00 0.00 C ATOM 540 O GLN B 556 31.478 -2.797 -9.822 1.00 0.00 O ATOM 541 CB GLN B 556 32.009 -3.592 -12.837 1.00 0.00 C ATOM 542 CG GLN B 556 31.421 -4.129 -14.132 1.00 0.00 C ATOM 543 CD GLN B 556 32.145 -5.363 -14.634 1.00 0.00 C ATOM 544 OE1 GLN B 556 31.680 -6.488 -14.450 1.00 0.00 O ATOM 545 NE2 GLN B 556 33.291 -5.157 -15.273 1.00 0.00 N ATOM 0 H GLN B 556 31.930 -1.132 -13.567 1.00 0.00 H new ATOM 0 HA GLN B 556 30.146 -2.886 -12.031 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.003 -3.191 -13.038 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.133 -4.416 -12.135 1.00 0.00 H new ATOM 0 HG2 GLN B 556 30.369 -4.368 -13.977 1.00 0.00 H new ATOM 0 HG3 GLN B 556 31.463 -3.352 -14.895 1.00 0.00 H new ATOM 0 HE21 GLN B 556 33.639 -4.207 -15.403 1.00 0.00 H new ATOM 0 HE22 GLN B 556 33.823 -5.949 -15.634 1.00 0.00 H new ATOM 554 N GLU B 557 32.534 -1.066 -10.797 1.00 0.00 N ATOM 555 CA GLU B 557 33.156 -0.608 -9.560 1.00 0.00 C ATOM 556 C GLU B 557 32.193 0.261 -8.756 1.00 0.00 C ATOM 557 O GLU B 557 32.118 0.153 -7.533 1.00 0.00 O ATOM 558 CB GLU B 557 34.433 0.177 -9.866 1.00 0.00 C ATOM 559 CG GLU B 557 35.648 -0.705 -10.101 1.00 0.00 C ATOM 560 CD GLU B 557 36.914 0.096 -10.337 1.00 0.00 C ATOM 561 OE1 GLU B 557 36.995 1.237 -9.838 1.00 0.00 O ATOM 562 OE2 GLU B 557 37.823 -0.418 -11.022 1.00 0.00 O ATOM 0 H GLU B 557 32.761 -0.504 -11.617 1.00 0.00 H new ATOM 0 HA GLU B 557 33.410 -1.485 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.267 0.795 -10.748 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.641 0.854 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.791 -1.357 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU B 557 35.464 -1.349 -10.961 1.00 0.00 H new ATOM 569 N GLN B 558 31.459 1.122 -9.454 1.00 0.00 N ATOM 570 CA GLN B 558 30.501 2.010 -8.805 1.00 0.00 C ATOM 571 C GLN B 558 29.525 1.219 -7.941 1.00 0.00 C ATOM 572 O GLN B 558 28.992 1.734 -6.958 1.00 0.00 O ATOM 573 CB GLN B 558 29.734 2.820 -9.852 1.00 0.00 C ATOM 574 CG GLN B 558 30.602 3.813 -10.608 1.00 0.00 C ATOM 575 CD GLN B 558 29.820 4.607 -11.636 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.863 5.837 -11.651 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.099 3.905 -12.502 1.00 0.00 N ATOM 0 H GLN B 558 31.509 1.224 -10.468 1.00 0.00 H new ATOM 0 HA GLN B 558 31.055 2.694 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.275 2.135 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.924 3.359 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN B 558 31.064 4.500 -9.899 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.410 3.278 -11.106 1.00 0.00 H new ATOM 0 HE21 GLN B 558 29.093 2.886 -12.453 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.551 4.384 -13.217 1.00 0.00 H new ATOM 586 N LYS B 559 29.293 -0.035 -8.314 1.00 0.00 N ATOM 587 CA LYS B 559 28.381 -0.898 -7.573 1.00 0.00 C ATOM 588 C LYS B 559 28.908 -1.166 -6.167 1.00 0.00 C ATOM 589 O LYS B 559 28.314 -0.733 -5.180 1.00 0.00 O ATOM 590 CB LYS B 559 28.183 -2.222 -8.316 1.00 0.00 C ATOM 591 CG LYS B 559 27.395 -2.083 -9.607 1.00 0.00 C ATOM 592 CD LYS B 559 27.559 -3.304 -10.495 1.00 0.00 C ATOM 593 CE LYS B 559 26.752 -4.484 -9.976 1.00 0.00 C ATOM 594 NZ LYS B 559 26.937 -5.697 -10.820 1.00 0.00 N ATOM 0 H LYS B 559 29.725 -0.477 -9.126 1.00 0.00 H new ATOM 0 HA LYS B 559 27.422 -0.387 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS B 559 29.159 -2.652 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS B 559 27.668 -2.924 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS B 559 26.339 -1.939 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS B 559 27.728 -1.195 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS B 559 27.241 -3.063 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS B 559 28.613 -3.578 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS B 559 27.051 -4.706 -8.951 1.00 0.00 H new ATOM 0 HE3 LYS B 559 25.695 -4.218 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.371 -6.479 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 26.628 -5.494 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 27.941 -5.967 -10.825 1.00 0.00 H new ATOM 608 N GLN B 560 30.025 -1.881 -6.084 1.00 0.00 N ATOM 609 CA GLN B 560 30.631 -2.205 -4.798 1.00 0.00 C ATOM 610 C GLN B 560 30.817 -0.950 -3.952 1.00 0.00 C ATOM 611 O GLN B 560 30.671 -0.986 -2.731 1.00 0.00 O ATOM 612 CB GLN B 560 31.978 -2.900 -5.005 1.00 0.00 C ATOM 613 CG GLN B 560 32.850 -2.234 -6.058 1.00 0.00 C ATOM 614 CD GLN B 560 34.251 -2.810 -6.104 1.00 0.00 C ATOM 615 OE1 GLN B 560 35.148 -2.349 -5.397 1.00 0.00 O ATOM 616 NE2 GLN B 560 34.448 -3.824 -6.939 1.00 0.00 N ATOM 0 H GLN B 560 30.529 -2.247 -6.892 1.00 0.00 H new ATOM 0 HA GLN B 560 29.959 -2.881 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.517 -2.919 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN B 560 31.802 -3.937 -5.293 1.00 0.00 H new ATOM 0 HG2 GLN B 560 32.382 -2.347 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.907 -1.165 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN B 560 33.676 -4.175 -7.506 1.00 0.00 H new ATOM 0 HE22 GLN B 560 35.371 -4.252 -7.013 1.00 0.00 H new ATOM 625 N MET B 561 31.140 0.159 -4.611 1.00 0.00 N ATOM 626 CA MET B 561 31.345 1.426 -3.918 1.00 0.00 C ATOM 627 C MET B 561 30.059 1.891 -3.243 1.00 0.00 C ATOM 628 O MET B 561 30.012 2.058 -2.023 1.00 0.00 O ATOM 629 CB MET B 561 31.835 2.493 -4.898 1.00 0.00 C ATOM 630 CG MET B 561 33.183 2.172 -5.523 1.00 0.00 C ATOM 631 SD MET B 561 34.440 3.406 -5.134 1.00 0.00 S ATOM 632 CE MET B 561 34.818 4.030 -6.770 1.00 0.00 C ATOM 0 H MET B 561 31.265 0.206 -5.622 1.00 0.00 H new ATOM 0 HA MET B 561 32.102 1.273 -3.149 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.096 2.614 -5.690 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.903 3.448 -4.378 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.518 1.195 -5.174 1.00 0.00 H new ATOM 0 HG3 MET B 561 33.070 2.102 -6.605 1.00 0.00 H new ATOM 0 HE1 MET B 561 35.582 4.804 -6.697 1.00 0.00 H new ATOM 0 HE2 MET B 561 35.185 3.215 -7.394 1.00 0.00 H new ATOM 0 HE3 MET B 561 33.917 4.451 -7.216 1.00 0.00 H new ATOM 642 N LEU B 562 29.018 2.098 -4.042 1.00 0.00 N ATOM 643 CA LEU B 562 27.730 2.544 -3.521 1.00 0.00 C ATOM 644 C LEU B 562 27.273 1.657 -2.367 1.00 0.00 C ATOM 645 O LEU B 562 26.921 2.148 -1.295 1.00 0.00 O ATOM 646 CB LEU B 562 26.679 2.538 -4.631 1.00 0.00 C ATOM 647 CG LEU B 562 26.823 3.624 -5.698 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.811 3.413 -6.814 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.657 5.004 -5.079 1.00 0.00 C ATOM 0 H LEU B 562 29.040 1.964 -5.053 1.00 0.00 H new ATOM 0 HA LEU B 562 27.849 3.561 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.706 1.566 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.695 2.635 -4.173 1.00 0.00 H new ATOM 0 HG LEU B 562 27.824 3.557 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.928 4.195 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.976 2.440 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.802 3.453 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.762 5.765 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.669 5.083 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.420 5.155 -4.316 1.00 0.00 H new ATOM 661 N GLY B 563 27.283 0.347 -2.594 1.00 0.00 N ATOM 662 CA GLY B 563 26.869 -0.587 -1.563 1.00 0.00 C ATOM 663 C GLY B 563 27.789 -0.566 -0.358 1.00 0.00 C ATOM 664 O GLY B 563 27.344 -0.761 0.772 1.00 0.00 O ATOM 0 H GLY B 563 27.570 -0.084 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.854 -0.347 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.843 -1.594 -1.979 1.00 0.00 H new ATOM 668 N GLU B 564 29.074 -0.331 -0.601 1.00 0.00 N ATOM 669 CA GLU B 564 30.058 -0.288 0.475 1.00 0.00 C ATOM 670 C GLU B 564 29.739 0.833 1.460 1.00 0.00 C ATOM 671 O GLU B 564 29.730 0.623 2.673 1.00 0.00 O ATOM 672 CB GLU B 564 31.464 -0.093 -0.098 1.00 0.00 C ATOM 673 CG GLU B 564 32.222 -1.393 -0.306 1.00 0.00 C ATOM 674 CD GLU B 564 32.984 -1.828 0.930 1.00 0.00 C ATOM 675 OE1 GLU B 564 33.865 -1.068 1.383 1.00 0.00 O ATOM 676 OE2 GLU B 564 32.700 -2.930 1.445 1.00 0.00 O ATOM 0 H GLU B 564 29.458 -0.168 -1.532 1.00 0.00 H new ATOM 0 HA GLU B 564 30.018 -1.238 1.007 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.389 0.431 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.035 0.547 0.574 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.520 -2.177 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.920 -1.274 -1.135 1.00 0.00 H new ATOM 683 N ARG B 565 29.478 2.023 0.929 1.00 0.00 N ATOM 684 CA ARG B 565 29.160 3.177 1.761 1.00 0.00 C ATOM 685 C ARG B 565 27.734 3.085 2.297 1.00 0.00 C ATOM 686 O ARG B 565 27.430 3.597 3.375 1.00 0.00 O ATOM 687 CB ARG B 565 29.333 4.471 0.963 1.00 0.00 C ATOM 688 CG ARG B 565 29.670 5.677 1.824 1.00 0.00 C ATOM 689 CD ARG B 565 30.331 6.777 1.008 1.00 0.00 C ATOM 690 NE ARG B 565 29.776 8.093 1.311 1.00 0.00 N ATOM 691 CZ ARG B 565 29.971 8.726 2.463 1.00 0.00 C ATOM 692 NH1 ARG B 565 30.704 8.166 3.415 1.00 0.00 N ATOM 693 NH2 ARG B 565 29.432 9.922 2.664 1.00 0.00 N ATOM 0 H ARG B 565 29.481 2.213 -0.073 1.00 0.00 H new ATOM 0 HA ARG B 565 29.848 3.184 2.606 1.00 0.00 H new ATOM 0 HB2 ARG B 565 30.123 4.330 0.225 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.415 4.674 0.412 1.00 0.00 H new ATOM 0 HG2 ARG B 565 28.760 6.061 2.286 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.334 5.374 2.633 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.403 6.781 1.207 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.205 6.566 -0.054 1.00 0.00 H new ATOM 0 HE ARG B 565 29.207 8.552 0.599 1.00 0.00 H new ATOM 0 HH11 ARG B 565 31.120 7.247 3.264 1.00 0.00 H new ATOM 0 HH12 ARG B 565 30.852 8.654 4.298 1.00 0.00 H new ATOM 0 HH21 ARG B 565 28.867 10.356 1.934 1.00 0.00 H new ATOM 0 HH22 ARG B 565 29.582 10.407 3.549 1.00 0.00 H new ATOM 707 N LEU B 566 26.864 2.429 1.538 1.00 0.00 N ATOM 708 CA LEU B 566 25.469 2.270 1.936 1.00 0.00 C ATOM 709 C LEU B 566 25.332 1.211 3.026 1.00 0.00 C ATOM 710 O LEU B 566 24.377 1.226 3.803 1.00 0.00 O ATOM 711 CB LEU B 566 24.614 1.887 0.727 1.00 0.00 C ATOM 712 CG LEU B 566 24.342 3.002 -0.283 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.058 2.419 -1.659 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.181 3.870 0.181 1.00 0.00 C ATOM 0 H LEU B 566 27.099 1.998 0.644 1.00 0.00 H new ATOM 0 HA LEU B 566 25.119 3.223 2.334 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.104 1.064 0.206 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.657 1.510 1.089 1.00 0.00 H new ATOM 0 HG LEU B 566 25.232 3.627 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.867 3.228 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.919 1.841 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.184 1.770 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.001 4.658 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.285 3.257 0.281 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.424 4.317 1.145 1.00 0.00 H new ATOM 726 N PHE B 567 26.293 0.296 3.079 1.00 0.00 N ATOM 727 CA PHE B 567 26.280 -0.770 4.075 1.00 0.00 C ATOM 728 C PHE B 567 26.122 -0.198 5.480 1.00 0.00 C ATOM 729 O PHE B 567 25.190 -0.531 6.212 1.00 0.00 O ATOM 730 CB PHE B 567 27.567 -1.593 3.989 1.00 0.00 C ATOM 731 CG PHE B 567 27.949 -2.245 5.286 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.057 -3.072 5.950 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.200 -2.032 5.843 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.406 -3.675 7.144 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.554 -2.632 7.036 1.00 0.00 C ATOM 736 CZ PHE B 567 28.656 -3.453 7.688 1.00 0.00 C ATOM 0 H PHE B 567 27.091 0.270 2.444 1.00 0.00 H new ATOM 0 HA PHE B 567 25.428 -1.418 3.867 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.446 -2.362 3.226 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.381 -0.946 3.663 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.078 -3.247 5.530 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.906 -1.389 5.339 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.702 -4.319 7.651 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.533 -2.459 7.458 1.00 0.00 H new ATOM 0 HZ PHE B 567 28.930 -3.921 8.622 1.00 0.00 H new ATOM 746 N PRO B 568 27.055 0.684 5.869 1.00 0.00 N ATOM 747 CA PRO B 568 27.041 1.321 7.189 1.00 0.00 C ATOM 748 C PRO B 568 25.897 2.317 7.340 1.00 0.00 C ATOM 749 O PRO B 568 25.334 2.472 8.425 1.00 0.00 O ATOM 750 CB PRO B 568 28.390 2.044 7.248 1.00 0.00 C ATOM 751 CG PRO B 568 28.750 2.291 5.823 1.00 0.00 C ATOM 752 CD PRO B 568 28.194 1.128 5.048 1.00 0.00 C ATOM 0 HA PRO B 568 26.894 0.596 7.990 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.315 2.978 7.805 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.144 1.435 7.747 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.327 3.232 5.471 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.831 2.361 5.700 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.877 1.426 4.049 1.00 0.00 H new ATOM 0 HD3 PRO B 568 28.933 0.337 4.925 1.00 0.00 H new ATOM 760 N LEU B 569 25.555 2.990 6.247 1.00 0.00 N ATOM 761 CA LEU B 569 24.476 3.971 6.258 1.00 0.00 C ATOM 762 C LEU B 569 23.173 3.342 6.741 1.00 0.00 C ATOM 763 O LEU B 569 22.552 3.826 7.687 1.00 0.00 O ATOM 764 CB LEU B 569 24.283 4.562 4.860 1.00 0.00 C ATOM 765 CG LEU B 569 25.272 5.654 4.451 1.00 0.00 C ATOM 766 CD1 LEU B 569 24.988 6.127 3.034 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.213 6.820 5.426 1.00 0.00 C ATOM 0 H LEU B 569 26.010 2.874 5.341 1.00 0.00 H new ATOM 0 HA LEU B 569 24.751 4.769 6.948 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.346 3.752 4.133 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.274 4.971 4.796 1.00 0.00 H new ATOM 0 HG LEU B 569 26.278 5.235 4.478 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.702 6.904 2.760 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.083 5.288 2.345 1.00 0.00 H new ATOM 0 HD13 LEU B 569 23.976 6.528 2.980 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.924 7.587 5.119 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.207 7.239 5.432 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.466 6.471 6.427 1.00 0.00 H new ATOM 779 N ILE B 570 22.766 2.260 6.085 1.00 0.00 N ATOM 780 CA ILE B 570 21.539 1.563 6.450 1.00 0.00 C ATOM 781 C ILE B 570 21.732 0.736 7.716 1.00 0.00 C ATOM 782 O ILE B 570 20.765 0.365 8.380 1.00 0.00 O ATOM 783 CB ILE B 570 21.057 0.640 5.315 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.847 1.443 4.030 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.773 -0.069 5.719 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.280 0.707 2.781 1.00 0.00 C ATOM 0 H ILE B 570 23.268 1.848 5.299 1.00 0.00 H new ATOM 0 HA ILE B 570 20.784 2.328 6.631 1.00 0.00 H new ATOM 0 HB ILE B 570 21.822 -0.114 5.129 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.792 1.703 3.942 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.401 2.379 4.101 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.445 -0.718 4.907 1.00 0.00 H new ATOM 0 HG22 ILE B 570 19.954 -0.668 6.612 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.000 0.670 5.928 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.102 1.335 1.908 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.342 0.470 2.848 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.708 -0.216 2.686 1.00 0.00 H new ATOM 798 N GLN B 571 22.988 0.453 8.045 1.00 0.00 N ATOM 799 CA GLN B 571 23.309 -0.330 9.233 1.00 0.00 C ATOM 800 C GLN B 571 22.717 0.311 10.484 1.00 0.00 C ATOM 801 O GLN B 571 22.469 -0.364 11.482 1.00 0.00 O ATOM 802 CB GLN B 571 24.824 -0.469 9.385 1.00 0.00 C ATOM 803 CG GLN B 571 25.240 -1.395 10.517 1.00 0.00 C ATOM 804 CD GLN B 571 25.133 -2.860 10.141 1.00 0.00 C ATOM 805 OE1 GLN B 571 24.714 -3.200 9.035 1.00 0.00 O ATOM 806 NE2 GLN B 571 25.514 -3.736 11.063 1.00 0.00 N ATOM 0 H GLN B 571 23.800 0.754 7.506 1.00 0.00 H new ATOM 0 HA GLN B 571 22.871 -1.321 9.113 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.242 -0.842 8.450 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.256 0.517 9.556 1.00 0.00 H new ATOM 0 HG2 GLN B 571 26.267 -1.172 10.805 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.615 -1.201 11.389 1.00 0.00 H new ATOM 0 HE21 GLN B 571 25.855 -3.409 11.967 1.00 0.00 H new ATOM 0 HE22 GLN B 571 25.466 -4.736 10.867 1.00 0.00 H new ATOM 815 N ALA B 572 22.493 1.620 10.422 1.00 0.00 N ATOM 816 CA ALA B 572 21.929 2.353 11.549 1.00 0.00 C ATOM 817 C ALA B 572 20.424 2.132 11.649 1.00 0.00 C ATOM 818 O ALA B 572 19.816 2.392 12.687 1.00 0.00 O ATOM 819 CB ALA B 572 22.239 3.837 11.422 1.00 0.00 C ATOM 0 H ALA B 572 22.694 2.194 9.603 1.00 0.00 H new ATOM 0 HA ALA B 572 22.387 1.974 12.463 1.00 0.00 H new ATOM 0 HB1 ALA B 572 21.812 4.372 12.270 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.319 3.983 11.407 1.00 0.00 H new ATOM 0 HB3 ALA B 572 21.809 4.221 10.497 1.00 0.00 H new ATOM 825 N MET B 573 19.827 1.651 10.563 1.00 0.00 N ATOM 826 CA MET B 573 18.392 1.394 10.530 1.00 0.00 C ATOM 827 C MET B 573 18.105 -0.101 10.614 1.00 0.00 C ATOM 828 O MET B 573 17.416 -0.560 11.526 1.00 0.00 O ATOM 829 CB MET B 573 17.779 1.972 9.252 1.00 0.00 C ATOM 830 CG MET B 573 18.291 3.360 8.906 1.00 0.00 C ATOM 831 SD MET B 573 17.304 4.167 7.631 1.00 0.00 S ATOM 832 CE MET B 573 18.507 4.310 6.311 1.00 0.00 C ATOM 0 H MET B 573 20.315 1.431 9.695 1.00 0.00 H new ATOM 0 HA MET B 573 17.941 1.881 11.394 1.00 0.00 H new ATOM 0 HB2 MET B 573 17.990 1.299 8.421 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.695 2.011 9.364 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.291 3.977 9.804 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.325 3.288 8.568 1.00 0.00 H new ATOM 0 HE1 MET B 573 18.079 4.885 5.490 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.398 4.816 6.684 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.777 3.316 5.955 1.00 0.00 H new ATOM 842 N HIS B 574 18.636 -0.857 9.659 1.00 0.00 N ATOM 843 CA HIS B 574 18.437 -2.301 9.626 1.00 0.00 C ATOM 844 C HIS B 574 19.758 -3.027 9.395 1.00 0.00 C ATOM 845 O HIS B 574 20.049 -3.506 8.299 1.00 0.00 O ATOM 846 CB HIS B 574 17.438 -2.675 8.530 1.00 0.00 C ATOM 847 CG HIS B 574 16.070 -2.104 8.746 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.367 -2.258 9.923 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.276 -1.374 7.929 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.200 -1.650 9.819 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.120 -1.105 8.618 1.00 0.00 N ATOM 0 H HIS B 574 19.208 -0.493 8.897 1.00 0.00 H new ATOM 0 HA HIS B 574 18.038 -2.609 10.592 1.00 0.00 H new ATOM 0 HB2 HIS B 574 17.819 -2.330 7.569 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.364 -3.761 8.472 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.509 -1.061 6.922 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.440 -1.606 10.585 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.328 -0.571 8.261 1.00 0.00 H new ATOM 859 N PRO B 575 20.580 -3.112 10.452 1.00 0.00 N ATOM 860 CA PRO B 575 21.885 -3.778 10.389 1.00 0.00 C ATOM 861 C PRO B 575 21.757 -5.290 10.243 1.00 0.00 C ATOM 862 O PRO B 575 22.681 -5.961 9.781 1.00 0.00 O ATOM 863 CB PRO B 575 22.529 -3.422 11.731 1.00 0.00 C ATOM 864 CG PRO B 575 21.382 -3.161 12.645 1.00 0.00 C ATOM 865 CD PRO B 575 20.299 -2.564 11.790 1.00 0.00 C ATOM 0 HA PRO B 575 22.466 -3.458 9.524 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.151 -4.237 12.100 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.171 -2.546 11.642 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.042 -4.082 13.118 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.668 -2.479 13.445 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.307 -2.849 12.141 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.338 -1.475 11.794 1.00 0.00 H new ATOM 873 N THR B 576 20.606 -5.823 10.640 1.00 0.00 N ATOM 874 CA THR B 576 20.357 -7.257 10.554 1.00 0.00 C ATOM 875 C THR B 576 20.653 -7.783 9.155 1.00 0.00 C ATOM 876 O THR B 576 21.283 -8.829 8.994 1.00 0.00 O ATOM 877 CB THR B 576 18.901 -7.598 10.922 1.00 0.00 C ATOM 878 OG1 THR B 576 18.531 -6.927 12.132 1.00 0.00 O ATOM 879 CG2 THR B 576 18.723 -9.099 11.094 1.00 0.00 C ATOM 0 H THR B 576 19.831 -5.283 11.025 1.00 0.00 H new ATOM 0 HA THR B 576 21.026 -7.737 11.268 1.00 0.00 H new ATOM 0 HB THR B 576 18.257 -7.263 10.109 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.603 -7.148 12.358 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.687 -9.315 11.354 1.00 0.00 H new ATOM 0 HG22 THR B 576 18.977 -9.605 10.162 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.378 -9.454 11.890 1.00 0.00 H new ATOM 887 N LEU B 577 20.195 -7.053 8.144 1.00 0.00 N ATOM 888 CA LEU B 577 20.410 -7.446 6.756 1.00 0.00 C ATOM 889 C LEU B 577 20.792 -6.241 5.902 1.00 0.00 C ATOM 890 O LEU B 577 20.397 -6.141 4.741 1.00 0.00 O ATOM 891 CB LEU B 577 19.152 -8.108 6.191 1.00 0.00 C ATOM 892 CG LEU B 577 18.344 -8.958 7.171 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.288 -8.112 7.866 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.699 -10.134 6.452 1.00 0.00 C ATOM 0 H LEU B 577 19.672 -6.185 8.260 1.00 0.00 H new ATOM 0 HA LEU B 577 21.232 -8.162 6.730 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.501 -7.328 5.796 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.443 -8.737 5.350 1.00 0.00 H new ATOM 0 HG LEU B 577 19.023 -9.349 7.928 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.722 -8.734 8.560 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.772 -7.304 8.415 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.612 -7.691 7.122 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.128 -10.728 7.166 1.00 0.00 H new ATOM 0 HD22 LEU B 577 17.033 -9.763 5.673 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.474 -10.754 6.002 1.00 0.00 H new ATOM 906 N ALA B 578 21.565 -5.330 6.485 1.00 0.00 N ATOM 907 CA ALA B 578 22.004 -4.135 5.776 1.00 0.00 C ATOM 908 C ALA B 578 22.572 -4.487 4.405 1.00 0.00 C ATOM 909 O ALA B 578 22.172 -3.917 3.391 1.00 0.00 O ATOM 910 CB ALA B 578 23.037 -3.381 6.601 1.00 0.00 C ATOM 0 H ALA B 578 21.900 -5.397 7.446 1.00 0.00 H new ATOM 0 HA ALA B 578 21.136 -3.492 5.626 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.356 -2.491 6.059 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.597 -3.088 7.554 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.898 -4.024 6.781 1.00 0.00 H new ATOM 916 N GLY B 579 23.510 -5.429 4.383 1.00 0.00 N ATOM 917 CA GLY B 579 24.119 -5.840 3.131 1.00 0.00 C ATOM 918 C GLY B 579 23.100 -6.342 2.128 1.00 0.00 C ATOM 919 O GLY B 579 23.134 -5.966 0.956 1.00 0.00 O ATOM 0 H GLY B 579 23.859 -5.915 5.209 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.663 -4.999 2.702 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.849 -6.625 3.326 1.00 0.00 H new ATOM 923 N LYS B 580 22.191 -7.195 2.587 1.00 0.00 N ATOM 924 CA LYS B 580 21.157 -7.751 1.722 1.00 0.00 C ATOM 925 C LYS B 580 20.367 -6.641 1.036 1.00 0.00 C ATOM 926 O LYS B 580 20.352 -6.546 -0.192 1.00 0.00 O ATOM 927 CB LYS B 580 20.210 -8.641 2.531 1.00 0.00 C ATOM 928 CG LYS B 580 19.053 -9.194 1.718 1.00 0.00 C ATOM 929 CD LYS B 580 18.092 -9.989 2.586 1.00 0.00 C ATOM 930 CE LYS B 580 18.739 -11.261 3.114 1.00 0.00 C ATOM 931 NZ LYS B 580 17.724 -12.254 3.564 1.00 0.00 N ATOM 0 H LYS B 580 22.149 -7.517 3.554 1.00 0.00 H new ATOM 0 HA LYS B 580 21.645 -8.353 0.955 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.777 -9.471 2.953 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.813 -8.068 3.369 1.00 0.00 H new ATOM 0 HG2 LYS B 580 18.519 -8.374 1.239 1.00 0.00 H new ATOM 0 HG3 LYS B 580 19.438 -9.831 0.922 1.00 0.00 H new ATOM 0 HD2 LYS B 580 17.762 -9.373 3.423 1.00 0.00 H new ATOM 0 HD3 LYS B 580 17.204 -10.244 2.008 1.00 0.00 H new ATOM 0 HE2 LYS B 580 19.359 -11.703 2.335 1.00 0.00 H new ATOM 0 HE3 LYS B 580 19.399 -11.014 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 18.205 -13.106 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 17.148 -11.841 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 17.109 -12.509 2.765 1.00 0.00 H new ATOM 945 N ILE B 581 19.714 -5.805 1.836 1.00 0.00 N ATOM 946 CA ILE B 581 18.925 -4.701 1.304 1.00 0.00 C ATOM 947 C ILE B 581 19.796 -3.736 0.507 1.00 0.00 C ATOM 948 O ILE B 581 19.342 -3.130 -0.465 1.00 0.00 O ATOM 949 CB ILE B 581 18.216 -3.924 2.429 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.233 -3.436 3.462 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.158 -4.795 3.090 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.609 -3.023 4.777 1.00 0.00 C ATOM 0 H ILE B 581 19.716 -5.871 2.854 1.00 0.00 H new ATOM 0 HA ILE B 581 18.175 -5.138 0.645 1.00 0.00 H new ATOM 0 HB ILE B 581 17.723 -3.055 1.994 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.959 -4.227 3.647 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.782 -2.590 3.048 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.666 -4.231 3.883 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.419 -5.097 2.347 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.630 -5.682 3.514 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.389 -2.688 5.461 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.904 -2.210 4.606 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.084 -3.873 5.213 1.00 0.00 H new ATOM 964 N THR B 582 21.051 -3.599 0.922 1.00 0.00 N ATOM 965 CA THR B 582 21.987 -2.709 0.247 1.00 0.00 C ATOM 966 C THR B 582 22.312 -3.214 -1.154 1.00 0.00 C ATOM 967 O THR B 582 22.583 -2.427 -2.061 1.00 0.00 O ATOM 968 CB THR B 582 23.297 -2.562 1.044 1.00 0.00 C ATOM 969 OG1 THR B 582 23.062 -1.808 2.238 1.00 0.00 O ATOM 970 CG2 THR B 582 24.365 -1.874 0.206 1.00 0.00 C ATOM 0 H THR B 582 21.443 -4.094 1.723 1.00 0.00 H new ATOM 0 HA THR B 582 21.502 -1.735 0.176 1.00 0.00 H new ATOM 0 HB THR B 582 23.650 -3.559 1.308 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.981 -2.419 3.000 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.281 -1.781 0.789 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.563 -2.465 -0.688 1.00 0.00 H new ATOM 0 HG23 THR B 582 24.017 -0.882 -0.084 1.00 0.00 H new ATOM 978 N GLY B 583 22.282 -4.532 -1.325 1.00 0.00 N ATOM 979 CA GLY B 583 22.575 -5.119 -2.620 1.00 0.00 C ATOM 980 C GLY B 583 21.540 -4.760 -3.667 1.00 0.00 C ATOM 981 O GLY B 583 21.879 -4.261 -4.739 1.00 0.00 O ATOM 0 H GLY B 583 22.060 -5.204 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.557 -4.783 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.626 -6.203 -2.521 1.00 0.00 H new ATOM 985 N MET B 584 20.273 -5.016 -3.357 1.00 0.00 N ATOM 986 CA MET B 584 19.185 -4.717 -4.280 1.00 0.00 C ATOM 987 C MET B 584 19.020 -3.211 -4.456 1.00 0.00 C ATOM 988 O MET B 584 18.823 -2.724 -5.570 1.00 0.00 O ATOM 989 CB MET B 584 17.877 -5.330 -3.776 1.00 0.00 C ATOM 990 CG MET B 584 17.527 -4.928 -2.352 1.00 0.00 C ATOM 991 SD MET B 584 16.754 -6.266 -1.423 1.00 0.00 S ATOM 992 CE MET B 584 15.070 -6.168 -2.025 1.00 0.00 C ATOM 0 H MET B 584 19.975 -5.430 -2.474 1.00 0.00 H new ATOM 0 HA MET B 584 19.433 -5.153 -5.248 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.066 -5.031 -4.439 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.949 -6.416 -3.831 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.432 -4.608 -1.836 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.854 -4.071 -2.376 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.474 -6.958 -1.568 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.647 -5.198 -1.765 1.00 0.00 H new ATOM 0 HE3 MET B 584 15.063 -6.289 -3.108 1.00 0.00 H new ATOM 1002 N LEU B 585 19.102 -2.478 -3.351 1.00 0.00 N ATOM 1003 CA LEU B 585 18.961 -1.027 -3.384 1.00 0.00 C ATOM 1004 C LEU B 585 19.996 -0.400 -4.313 1.00 0.00 C ATOM 1005 O LEU B 585 19.652 0.362 -5.218 1.00 0.00 O ATOM 1006 CB LEU B 585 19.109 -0.448 -1.975 1.00 0.00 C ATOM 1007 CG LEU B 585 17.806 -0.184 -1.218 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.945 0.817 -1.972 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.046 -1.484 -0.996 1.00 0.00 C ATOM 0 H LEU B 585 19.265 -2.865 -2.421 1.00 0.00 H new ATOM 0 HA LEU B 585 17.967 -0.792 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.717 -1.133 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.662 0.489 -2.045 1.00 0.00 H new ATOM 0 HG LEU B 585 18.052 0.240 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU B 585 16.022 0.993 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.488 1.756 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.706 0.421 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.122 -1.278 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.810 -1.937 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.661 -2.170 -0.413 1.00 0.00 H new ATOM 1021 N LEU B 586 21.263 -0.728 -4.086 1.00 0.00 N ATOM 1022 CA LEU B 586 22.348 -0.199 -4.905 1.00 0.00 C ATOM 1023 C LEU B 586 22.234 -0.691 -6.344 1.00 0.00 C ATOM 1024 O LEU B 586 22.748 -0.061 -7.268 1.00 0.00 O ATOM 1025 CB LEU B 586 23.701 -0.609 -4.320 1.00 0.00 C ATOM 1026 CG LEU B 586 24.270 -1.940 -4.813 1.00 0.00 C ATOM 1027 CD1 LEU B 586 25.108 -1.731 -6.065 1.00 0.00 C ATOM 1028 CD2 LEU B 586 25.096 -2.604 -3.721 1.00 0.00 C ATOM 0 H LEU B 586 21.564 -1.357 -3.342 1.00 0.00 H new ATOM 0 HA LEU B 586 22.273 0.888 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.423 0.177 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.606 -0.657 -3.235 1.00 0.00 H new ATOM 0 HG LEU B 586 23.438 -2.599 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.505 -2.689 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.487 -1.299 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.933 -1.055 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.493 -3.550 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.921 -1.949 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.467 -2.789 -2.851 1.00 0.00 H new ATOM 1040 N GLU B 587 21.555 -1.820 -6.527 1.00 0.00 N ATOM 1041 CA GLU B 587 21.373 -2.395 -7.854 1.00 0.00 C ATOM 1042 C GLU B 587 20.309 -1.629 -8.637 1.00 0.00 C ATOM 1043 O GLU B 587 20.249 -1.710 -9.864 1.00 0.00 O ATOM 1044 CB GLU B 587 20.980 -3.869 -7.746 1.00 0.00 C ATOM 1045 CG GLU B 587 20.805 -4.553 -9.092 1.00 0.00 C ATOM 1046 CD GLU B 587 21.136 -6.032 -9.042 1.00 0.00 C ATOM 1047 OE1 GLU B 587 20.850 -6.670 -8.008 1.00 0.00 O ATOM 1048 OE2 GLU B 587 21.683 -6.550 -10.038 1.00 0.00 O ATOM 0 H GLU B 587 21.122 -2.354 -5.773 1.00 0.00 H new ATOM 0 HA GLU B 587 22.320 -2.318 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.743 -4.399 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU B 587 20.049 -3.948 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.776 -4.426 -9.429 1.00 0.00 H new ATOM 0 HG3 GLU B 587 21.444 -4.066 -9.829 1.00 0.00 H new ATOM 1055 N ILE B 588 19.473 -0.888 -7.918 1.00 0.00 N ATOM 1056 CA ILE B 588 18.413 -0.108 -8.544 1.00 0.00 C ATOM 1057 C ILE B 588 18.952 0.719 -9.706 1.00 0.00 C ATOM 1058 O ILE B 588 18.545 0.535 -10.854 1.00 0.00 O ATOM 1059 CB ILE B 588 17.732 0.832 -7.532 1.00 0.00 C ATOM 1060 CG1 ILE B 588 17.067 0.022 -6.418 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.712 1.716 -8.233 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.640 0.860 -5.233 1.00 0.00 C ATOM 0 H ILE B 588 19.509 -0.811 -6.902 1.00 0.00 H new ATOM 0 HA ILE B 588 17.677 -0.820 -8.918 1.00 0.00 H new ATOM 0 HB ILE B 588 18.492 1.473 -7.085 1.00 0.00 H new ATOM 0 HG12 ILE B 588 16.194 -0.490 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.759 -0.748 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE B 588 16.239 2.375 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE B 588 17.212 2.316 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.953 1.092 -8.704 1.00 0.00 H new ATOM 0 HD11 ILE B 588 16.176 0.220 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE B 588 17.512 1.352 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.923 1.614 -5.560 1.00 0.00 H new ATOM 1074 N ASP B 589 19.871 1.628 -9.402 1.00 0.00 N ATOM 1075 CA ASP B 589 20.469 2.482 -10.421 1.00 0.00 C ATOM 1076 C ASP B 589 21.442 3.476 -9.795 1.00 0.00 C ATOM 1077 O ASP B 589 21.065 4.272 -8.937 1.00 0.00 O ATOM 1078 CB ASP B 589 19.381 3.231 -11.192 1.00 0.00 C ATOM 1079 CG ASP B 589 19.476 3.013 -12.689 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.787 1.877 -13.104 1.00 0.00 O ATOM 1081 OD2 ASP B 589 19.242 3.978 -13.446 1.00 0.00 O ATOM 0 H ASP B 589 20.218 1.793 -8.457 1.00 0.00 H new ATOM 0 HA ASP B 589 21.022 1.847 -11.113 1.00 0.00 H new ATOM 0 HB2 ASP B 589 18.402 2.904 -10.842 1.00 0.00 H new ATOM 0 HB3 ASP B 589 19.457 4.297 -10.978 1.00 0.00 H new ATOM 1086 N ASN B 590 22.697 3.422 -10.231 1.00 0.00 N ATOM 1087 CA ASN B 590 23.725 4.317 -9.712 1.00 0.00 C ATOM 1088 C ASN B 590 23.349 5.776 -9.952 1.00 0.00 C ATOM 1089 O ASN B 590 23.658 6.649 -9.142 1.00 0.00 O ATOM 1090 CB ASN B 590 25.074 4.012 -10.367 1.00 0.00 C ATOM 1091 CG ASN B 590 25.538 2.593 -10.101 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.796 1.778 -9.552 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.772 2.292 -10.488 1.00 0.00 N ATOM 0 H ASN B 590 23.026 2.768 -10.942 1.00 0.00 H new ATOM 0 HA ASN B 590 23.805 4.153 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.997 4.170 -11.443 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.822 4.712 -9.995 1.00 0.00 H new ATOM 0 HD21 ASN B 590 27.140 1.353 -10.334 1.00 0.00 H new ATOM 0 HD22 ASN B 590 27.352 2.999 -10.939 1.00 0.00 H new ATOM 1100 N SER B 591 22.679 6.032 -11.071 1.00 0.00 N ATOM 1101 CA SER B 591 22.263 7.385 -11.420 1.00 0.00 C ATOM 1102 C SER B 591 21.262 7.925 -10.403 1.00 0.00 C ATOM 1103 O SER B 591 21.392 9.053 -9.928 1.00 0.00 O ATOM 1104 CB SER B 591 21.646 7.406 -12.820 1.00 0.00 C ATOM 1105 OG SER B 591 22.649 7.474 -13.819 1.00 0.00 O ATOM 0 H SER B 591 22.413 5.320 -11.751 1.00 0.00 H new ATOM 0 HA SER B 591 23.146 8.024 -11.410 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.041 6.511 -12.968 1.00 0.00 H new ATOM 0 HB3 SER B 591 20.977 8.262 -12.913 1.00 0.00 H new ATOM 0 HG SER B 591 22.229 7.484 -14.704 1.00 0.00 H new ATOM 1111 N GLU B 592 20.264 7.111 -10.075 1.00 0.00 N ATOM 1112 CA GLU B 592 19.240 7.508 -9.115 1.00 0.00 C ATOM 1113 C GLU B 592 19.804 7.531 -7.697 1.00 0.00 C ATOM 1114 O GLU B 592 19.643 8.511 -6.969 1.00 0.00 O ATOM 1115 CB GLU B 592 18.046 6.553 -9.185 1.00 0.00 C ATOM 1116 CG GLU B 592 17.307 6.600 -10.512 1.00 0.00 C ATOM 1117 CD GLU B 592 16.617 7.930 -10.748 1.00 0.00 C ATOM 1118 OE1 GLU B 592 16.127 8.528 -9.768 1.00 0.00 O ATOM 1119 OE2 GLU B 592 16.568 8.372 -11.915 1.00 0.00 O ATOM 0 H GLU B 592 20.142 6.174 -10.459 1.00 0.00 H new ATOM 0 HA GLU B 592 18.907 8.514 -9.372 1.00 0.00 H new ATOM 0 HB2 GLU B 592 18.394 5.535 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU B 592 17.350 6.795 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU B 592 18.011 6.411 -11.323 1.00 0.00 H new ATOM 0 HG3 GLU B 592 16.567 5.801 -10.540 1.00 0.00 H new ATOM 1126 N LEU B 593 20.465 6.445 -7.312 1.00 0.00 N ATOM 1127 CA LEU B 593 21.053 6.339 -5.981 1.00 0.00 C ATOM 1128 C LEU B 593 21.926 7.552 -5.673 1.00 0.00 C ATOM 1129 O LEU B 593 21.786 8.181 -4.624 1.00 0.00 O ATOM 1130 CB LEU B 593 21.881 5.058 -5.868 1.00 0.00 C ATOM 1131 CG LEU B 593 21.126 3.748 -6.096 1.00 0.00 C ATOM 1132 CD1 LEU B 593 22.047 2.699 -6.699 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.524 3.246 -4.791 1.00 0.00 C ATOM 0 H LEU B 593 20.607 5.625 -7.902 1.00 0.00 H new ATOM 0 HA LEU B 593 20.242 6.305 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.698 5.113 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.331 5.027 -4.876 1.00 0.00 H new ATOM 0 HG LEU B 593 20.314 3.936 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.492 1.774 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.430 3.057 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.880 2.513 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU B 593 19.990 2.313 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.319 3.075 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU B 593 19.831 3.991 -4.400 1.00 0.00 H new ATOM 1145 N LEU B 594 22.825 7.876 -6.596 1.00 0.00 N ATOM 1146 CA LEU B 594 23.720 9.015 -6.425 1.00 0.00 C ATOM 1147 C LEU B 594 22.938 10.272 -6.059 1.00 0.00 C ATOM 1148 O LEU B 594 23.471 11.188 -5.432 1.00 0.00 O ATOM 1149 CB LEU B 594 24.524 9.254 -7.704 1.00 0.00 C ATOM 1150 CG LEU B 594 25.754 10.151 -7.567 1.00 0.00 C ATOM 1151 CD1 LEU B 594 26.889 9.639 -8.441 1.00 0.00 C ATOM 1152 CD2 LEU B 594 25.409 11.589 -7.926 1.00 0.00 C ATOM 0 H LEU B 594 22.953 7.366 -7.470 1.00 0.00 H new ATOM 0 HA LEU B 594 24.407 8.787 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU B 594 24.846 8.288 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.861 9.693 -8.449 1.00 0.00 H new ATOM 0 HG LEU B 594 26.083 10.126 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU B 594 27.756 10.290 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU B 594 27.154 8.627 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU B 594 26.571 9.633 -9.484 1.00 0.00 H new ATOM 0 HD21 LEU B 594 26.297 12.213 -7.823 1.00 0.00 H new ATOM 0 HD22 LEU B 594 25.053 11.632 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU B 594 24.629 11.954 -7.257 1.00 0.00 H new ATOM 1164 N HIS B 595 21.669 10.309 -6.454 1.00 0.00 N ATOM 1165 CA HIS B 595 20.811 11.453 -6.165 1.00 0.00 C ATOM 1166 C HIS B 595 20.075 11.260 -4.843 1.00 0.00 C ATOM 1167 O HIS B 595 19.804 12.223 -4.127 1.00 0.00 O ATOM 1168 CB HIS B 595 19.805 11.661 -7.297 1.00 0.00 C ATOM 1169 CG HIS B 595 18.932 12.863 -7.109 1.00 0.00 C ATOM 1170 ND1 HIS B 595 19.409 14.156 -7.164 1.00 0.00 N ATOM 1171 CD2 HIS B 595 17.604 12.963 -6.867 1.00 0.00 C ATOM 1172 CE1 HIS B 595 18.412 14.999 -6.962 1.00 0.00 C ATOM 1173 NE2 HIS B 595 17.306 14.301 -6.779 1.00 0.00 N ATOM 0 H HIS B 595 21.212 9.560 -6.975 1.00 0.00 H new ATOM 0 HA HIS B 595 21.442 12.338 -6.083 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.345 11.758 -8.239 1.00 0.00 H new ATOM 0 HB3 HIS B 595 19.176 10.775 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS B 595 16.908 12.144 -6.763 1.00 0.00 H new ATOM 0 HE1 HIS B 595 18.489 16.076 -6.949 1.00 0.00 H new ATOM 0 HE2 HIS B 595 16.381 14.692 -6.601 1.00 0.00 H new ATOM 1181 N MET B 596 19.754 10.010 -4.527 1.00 0.00 N ATOM 1182 CA MET B 596 19.050 9.692 -3.290 1.00 0.00 C ATOM 1183 C MET B 596 19.978 9.823 -2.087 1.00 0.00 C ATOM 1184 O MET B 596 19.522 9.922 -0.947 1.00 0.00 O ATOM 1185 CB MET B 596 18.476 8.275 -3.355 1.00 0.00 C ATOM 1186 CG MET B 596 19.366 7.229 -2.703 1.00 0.00 C ATOM 1187 SD MET B 596 18.803 5.545 -3.017 1.00 0.00 S ATOM 1188 CE MET B 596 19.297 4.734 -1.499 1.00 0.00 C ATOM 0 H MET B 596 19.970 9.201 -5.110 1.00 0.00 H new ATOM 0 HA MET B 596 18.232 10.403 -3.174 1.00 0.00 H new ATOM 0 HB2 MET B 596 17.500 8.264 -2.869 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.315 8.004 -4.399 1.00 0.00 H new ATOM 0 HG2 MET B 596 20.385 7.342 -3.074 1.00 0.00 H new ATOM 0 HG3 MET B 596 19.397 7.403 -1.627 1.00 0.00 H new ATOM 0 HE1 MET B 596 19.523 3.687 -1.703 1.00 0.00 H new ATOM 0 HE2 MET B 596 20.183 5.225 -1.096 1.00 0.00 H new ATOM 0 HE3 MET B 596 18.486 4.796 -0.773 1.00 0.00 H new ATOM 1198 N LEU B 597 21.280 9.822 -2.347 1.00 0.00 N ATOM 1199 CA LEU B 597 22.273 9.941 -1.285 1.00 0.00 C ATOM 1200 C LEU B 597 21.969 11.135 -0.386 1.00 0.00 C ATOM 1201 O LEU B 597 21.906 11.005 0.835 1.00 0.00 O ATOM 1202 CB LEU B 597 23.674 10.081 -1.882 1.00 0.00 C ATOM 1203 CG LEU B 597 24.076 9.019 -2.906 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.580 9.039 -3.134 1.00 0.00 C ATOM 1205 CD2 LEU B 597 23.622 7.640 -2.451 1.00 0.00 C ATOM 0 H LEU B 597 21.673 9.740 -3.284 1.00 0.00 H new ATOM 0 HA LEU B 597 22.232 9.035 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.750 11.060 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.398 10.064 -1.067 1.00 0.00 H new ATOM 0 HG LEU B 597 23.583 9.248 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU B 597 25.847 8.277 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.879 10.019 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.093 8.836 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU B 597 23.917 6.897 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.086 7.402 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU B 597 22.538 7.632 -2.341 1.00 0.00 H new ATOM 1217 N GLU B 598 21.780 12.299 -1.001 1.00 0.00 N ATOM 1218 CA GLU B 598 21.481 13.516 -0.257 1.00 0.00 C ATOM 1219 C GLU B 598 19.974 13.709 -0.111 1.00 0.00 C ATOM 1220 O GLU B 598 19.509 14.783 0.269 1.00 0.00 O ATOM 1221 CB GLU B 598 22.096 14.731 -0.954 1.00 0.00 C ATOM 1222 CG GLU B 598 23.386 14.419 -1.695 1.00 0.00 C ATOM 1223 CD GLU B 598 24.278 15.635 -1.850 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.785 16.763 -1.639 1.00 0.00 O ATOM 1225 OE2 GLU B 598 25.469 15.460 -2.181 1.00 0.00 O ATOM 0 H GLU B 598 21.829 12.424 -2.012 1.00 0.00 H new ATOM 0 HA GLU B 598 21.916 13.418 0.738 1.00 0.00 H new ATOM 0 HB2 GLU B 598 21.372 15.140 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU B 598 22.291 15.505 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU B 598 23.929 13.640 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU B 598 23.147 14.020 -2.681 1.00 0.00 H new ATOM 1232 N SER B 599 19.217 12.660 -0.416 1.00 0.00 N ATOM 1233 CA SER B 599 17.763 12.714 -0.324 1.00 0.00 C ATOM 1234 C SER B 599 17.260 11.853 0.832 1.00 0.00 C ATOM 1235 O SER B 599 16.867 10.700 0.655 1.00 0.00 O ATOM 1236 CB SER B 599 17.130 12.246 -1.636 1.00 0.00 C ATOM 1237 OG SER B 599 15.790 12.696 -1.744 1.00 0.00 O ATOM 0 H SER B 599 19.587 11.762 -0.729 1.00 0.00 H new ATOM 0 HA SER B 599 17.473 13.748 -0.138 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.712 12.620 -2.478 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.157 11.158 -1.689 1.00 0.00 H new ATOM 0 HG SER B 599 15.226 11.966 -2.075 1.00 0.00 H new ATOM 1243 N PRO B 600 17.271 12.427 2.044 1.00 0.00 N ATOM 1244 CA PRO B 600 16.819 11.732 3.253 1.00 0.00 C ATOM 1245 C PRO B 600 15.310 11.511 3.264 1.00 0.00 C ATOM 1246 O PRO B 600 14.784 10.811 4.129 1.00 0.00 O ATOM 1247 CB PRO B 600 17.228 12.682 4.382 1.00 0.00 C ATOM 1248 CG PRO B 600 17.279 14.028 3.745 1.00 0.00 C ATOM 1249 CD PRO B 600 17.726 13.799 2.328 1.00 0.00 C ATOM 0 HA PRO B 600 17.253 10.736 3.337 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.508 12.658 5.200 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.195 12.405 4.801 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.302 14.510 3.773 1.00 0.00 H new ATOM 0 HG3 PRO B 600 17.973 14.683 4.272 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.279 14.520 1.644 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.807 13.893 2.228 1.00 0.00 H new ATOM 1257 N GLU B 601 14.621 12.111 2.298 1.00 0.00 N ATOM 1258 CA GLU B 601 13.173 11.978 2.199 1.00 0.00 C ATOM 1259 C GLU B 601 12.794 10.789 1.321 1.00 0.00 C ATOM 1260 O GLU B 601 11.706 10.228 1.451 1.00 0.00 O ATOM 1261 CB GLU B 601 12.558 13.260 1.633 1.00 0.00 C ATOM 1262 CG GLU B 601 13.166 13.693 0.310 1.00 0.00 C ATOM 1263 CD GLU B 601 12.221 14.545 -0.516 1.00 0.00 C ATOM 1264 OE1 GLU B 601 11.217 13.998 -1.018 1.00 0.00 O ATOM 1265 OE2 GLU B 601 12.485 15.757 -0.659 1.00 0.00 O ATOM 0 H GLU B 601 15.042 12.693 1.574 1.00 0.00 H new ATOM 0 HA GLU B 601 12.781 11.807 3.201 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.487 13.111 1.499 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.680 14.063 2.360 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.081 14.253 0.501 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.447 12.809 -0.263 1.00 0.00 H new ATOM 1272 N SER B 602 13.701 10.410 0.425 1.00 0.00 N ATOM 1273 CA SER B 602 13.462 9.290 -0.478 1.00 0.00 C ATOM 1274 C SER B 602 14.195 8.041 -0.001 1.00 0.00 C ATOM 1275 O SER B 602 13.681 6.926 -0.106 1.00 0.00 O ATOM 1276 CB SER B 602 13.910 9.648 -1.897 1.00 0.00 C ATOM 1277 OG SER B 602 13.266 10.825 -2.353 1.00 0.00 O ATOM 0 H SER B 602 14.607 10.862 0.305 1.00 0.00 H new ATOM 0 HA SER B 602 12.392 9.081 -0.484 1.00 0.00 H new ATOM 0 HB2 SER B 602 14.991 9.790 -1.916 1.00 0.00 H new ATOM 0 HB3 SER B 602 13.686 8.822 -2.572 1.00 0.00 H new ATOM 0 HG SER B 602 13.570 11.034 -3.261 1.00 0.00 H new ATOM 1283 N LEU B 603 15.400 8.234 0.524 1.00 0.00 N ATOM 1284 CA LEU B 603 16.206 7.123 1.019 1.00 0.00 C ATOM 1285 C LEU B 603 15.392 6.233 1.952 1.00 0.00 C ATOM 1286 O LEU B 603 15.167 5.057 1.665 1.00 0.00 O ATOM 1287 CB LEU B 603 17.443 7.650 1.748 1.00 0.00 C ATOM 1288 CG LEU B 603 18.446 6.596 2.216 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.561 6.429 1.196 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.018 6.969 3.576 1.00 0.00 C ATOM 0 H LEU B 603 15.841 9.149 0.618 1.00 0.00 H new ATOM 0 HA LEU B 603 16.523 6.527 0.163 1.00 0.00 H new ATOM 0 HB2 LEU B 603 17.960 8.347 1.088 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.113 8.220 2.617 1.00 0.00 H new ATOM 0 HG LEU B 603 17.923 5.644 2.312 1.00 0.00 H new ATOM 0 HD11 LEU B 603 20.265 5.675 1.547 1.00 0.00 H new ATOM 0 HD12 LEU B 603 19.137 6.114 0.242 1.00 0.00 H new ATOM 0 HD13 LEU B 603 20.081 7.378 1.067 1.00 0.00 H new ATOM 0 HD21 LEU B 603 19.730 6.207 3.893 1.00 0.00 H new ATOM 0 HD22 LEU B 603 19.524 7.932 3.506 1.00 0.00 H new ATOM 0 HD23 LEU B 603 18.210 7.036 4.305 1.00 0.00 H new ATOM 1302 N ARG B 604 14.952 6.802 3.070 1.00 0.00 N ATOM 1303 CA ARG B 604 14.162 6.060 4.045 1.00 0.00 C ATOM 1304 C ARG B 604 12.977 5.371 3.374 1.00 0.00 C ATOM 1305 O ARG B 604 12.558 4.291 3.788 1.00 0.00 O ATOM 1306 CB ARG B 604 13.664 6.996 5.148 1.00 0.00 C ATOM 1307 CG ARG B 604 12.506 7.882 4.718 1.00 0.00 C ATOM 1308 CD ARG B 604 11.165 7.238 5.031 1.00 0.00 C ATOM 1309 NE ARG B 604 10.401 8.010 6.007 1.00 0.00 N ATOM 1310 CZ ARG B 604 9.215 7.637 6.474 1.00 0.00 C ATOM 1311 NH1 ARG B 604 8.661 6.507 6.057 1.00 0.00 N ATOM 1312 NH2 ARG B 604 8.581 8.394 7.360 1.00 0.00 N ATOM 0 H ARG B 604 15.129 7.774 3.323 1.00 0.00 H new ATOM 0 HA ARG B 604 14.801 5.296 4.487 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.355 6.400 6.007 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.490 7.626 5.478 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.576 8.845 5.225 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.575 8.079 3.648 1.00 0.00 H new ATOM 0 HD2 ARG B 604 10.586 7.141 4.112 1.00 0.00 H new ATOM 0 HD3 ARG B 604 11.327 6.230 5.413 1.00 0.00 H new ATOM 0 HE ARG B 604 10.800 8.884 6.349 1.00 0.00 H new ATOM 0 HH11 ARG B 604 9.146 5.922 5.376 1.00 0.00 H new ATOM 0 HH12 ARG B 604 7.750 6.222 6.417 1.00 0.00 H new ATOM 0 HH21 ARG B 604 9.004 9.264 7.683 1.00 0.00 H new ATOM 0 HH22 ARG B 604 7.670 8.106 7.718 1.00 0.00 H new ATOM 1326 N SER B 605 12.441 6.006 2.336 1.00 0.00 N ATOM 1327 CA SER B 605 11.301 5.456 1.610 1.00 0.00 C ATOM 1328 C SER B 605 11.658 4.117 0.972 1.00 0.00 C ATOM 1329 O SER B 605 11.005 3.104 1.221 1.00 0.00 O ATOM 1330 CB SER B 605 10.834 6.439 0.534 1.00 0.00 C ATOM 1331 OG SER B 605 9.476 6.216 0.197 1.00 0.00 O ATOM 0 H SER B 605 12.777 6.900 1.979 1.00 0.00 H new ATOM 0 HA SER B 605 10.491 5.295 2.321 1.00 0.00 H new ATOM 0 HB2 SER B 605 10.961 7.461 0.891 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.455 6.332 -0.355 1.00 0.00 H new ATOM 0 HG SER B 605 9.200 6.857 -0.491 1.00 0.00 H new ATOM 1337 N LYS B 606 12.699 4.121 0.147 1.00 0.00 N ATOM 1338 CA LYS B 606 13.146 2.908 -0.528 1.00 0.00 C ATOM 1339 C LYS B 606 13.469 1.811 0.482 1.00 0.00 C ATOM 1340 O LYS B 606 13.072 0.659 0.311 1.00 0.00 O ATOM 1341 CB LYS B 606 14.377 3.202 -1.388 1.00 0.00 C ATOM 1342 CG LYS B 606 14.068 4.019 -2.631 1.00 0.00 C ATOM 1343 CD LYS B 606 14.504 5.466 -2.469 1.00 0.00 C ATOM 1344 CE LYS B 606 15.155 5.998 -3.736 1.00 0.00 C ATOM 1345 NZ LYS B 606 14.192 6.058 -4.871 1.00 0.00 N ATOM 0 H LYS B 606 13.250 4.952 -0.071 1.00 0.00 H new ATOM 0 HA LYS B 606 12.337 2.560 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.112 3.736 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS B 606 14.835 2.259 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS B 606 14.573 3.580 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS B 606 12.998 3.981 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS B 606 13.640 6.081 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS B 606 15.205 5.545 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS B 606 15.557 6.994 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS B 606 15.997 5.361 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 14.674 6.426 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 13.828 5.104 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 13.401 6.686 -4.623 1.00 0.00 H new ATOM 1359 N VAL B 607 14.191 2.178 1.537 1.00 0.00 N ATOM 1360 CA VAL B 607 14.565 1.226 2.576 1.00 0.00 C ATOM 1361 C VAL B 607 13.338 0.520 3.142 1.00 0.00 C ATOM 1362 O VAL B 607 13.256 -0.708 3.132 1.00 0.00 O ATOM 1363 CB VAL B 607 15.321 1.918 3.725 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.685 0.913 4.807 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.564 2.620 3.198 1.00 0.00 C ATOM 0 H VAL B 607 14.528 3.128 1.694 1.00 0.00 H new ATOM 0 HA VAL B 607 15.221 0.491 2.110 1.00 0.00 H new ATOM 0 HB VAL B 607 14.666 2.670 4.166 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.219 1.421 5.610 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.776 0.461 5.204 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.321 0.136 4.383 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.086 3.104 4.023 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.224 1.889 2.730 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.274 3.370 2.463 1.00 0.00 H new ATOM 1375 N ASP B 608 12.385 1.305 3.634 1.00 0.00 N ATOM 1376 CA ASP B 608 11.161 0.755 4.203 1.00 0.00 C ATOM 1377 C ASP B 608 10.437 -0.126 3.189 1.00 0.00 C ATOM 1378 O ASP B 608 9.905 -1.179 3.537 1.00 0.00 O ATOM 1379 CB ASP B 608 10.238 1.883 4.667 1.00 0.00 C ATOM 1380 CG ASP B 608 9.176 1.401 5.636 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.542 0.795 6.665 1.00 0.00 O ATOM 1382 OD2 ASP B 608 7.978 1.630 5.365 1.00 0.00 O ATOM 0 H ASP B 608 12.437 2.324 3.650 1.00 0.00 H new ATOM 0 HA ASP B 608 11.433 0.141 5.062 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.833 2.663 5.143 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.756 2.334 3.800 1.00 0.00 H new ATOM 1387 N GLU B 609 10.422 0.315 1.935 1.00 0.00 N ATOM 1388 CA GLU B 609 9.762 -0.433 0.872 1.00 0.00 C ATOM 1389 C GLU B 609 10.325 -1.848 0.772 1.00 0.00 C ATOM 1390 O GLU B 609 9.576 -2.823 0.719 1.00 0.00 O ATOM 1391 CB GLU B 609 9.925 0.288 -0.467 1.00 0.00 C ATOM 1392 CG GLU B 609 9.008 1.489 -0.628 1.00 0.00 C ATOM 1393 CD GLU B 609 9.237 2.228 -1.932 1.00 0.00 C ATOM 1394 OE1 GLU B 609 10.400 2.294 -2.381 1.00 0.00 O ATOM 1395 OE2 GLU B 609 8.251 2.740 -2.504 1.00 0.00 O ATOM 0 H GLU B 609 10.859 1.185 1.631 1.00 0.00 H new ATOM 0 HA GLU B 609 8.701 -0.499 1.114 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.960 0.615 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.732 -0.417 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU B 609 7.971 1.158 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.163 2.174 0.205 1.00 0.00 H new ATOM 1402 N ALA B 610 11.650 -1.951 0.745 1.00 0.00 N ATOM 1403 CA ALA B 610 12.314 -3.245 0.652 1.00 0.00 C ATOM 1404 C ALA B 610 12.005 -4.109 1.870 1.00 0.00 C ATOM 1405 O ALA B 610 11.472 -5.211 1.743 1.00 0.00 O ATOM 1406 CB ALA B 610 13.817 -3.057 0.503 1.00 0.00 C ATOM 0 H ALA B 610 12.284 -1.153 0.786 1.00 0.00 H new ATOM 0 HA ALA B 610 11.934 -3.759 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.301 -4.031 0.435 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.024 -2.485 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.204 -2.520 1.369 1.00 0.00 H new ATOM 1412 N VAL B 611 12.345 -3.602 3.051 1.00 0.00 N ATOM 1413 CA VAL B 611 12.104 -4.327 4.293 1.00 0.00 C ATOM 1414 C VAL B 611 10.660 -4.810 4.375 1.00 0.00 C ATOM 1415 O VAL B 611 10.383 -5.884 4.909 1.00 0.00 O ATOM 1416 CB VAL B 611 12.412 -3.453 5.523 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.095 -4.205 6.806 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.865 -3.002 5.504 1.00 0.00 C ATOM 0 H VAL B 611 12.788 -2.692 3.174 1.00 0.00 H new ATOM 0 HA VAL B 611 12.773 -5.187 4.292 1.00 0.00 H new ATOM 0 HB VAL B 611 11.779 -2.566 5.485 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.319 -3.571 7.664 1.00 0.00 H new ATOM 0 HG12 VAL B 611 11.039 -4.473 6.819 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.700 -5.110 6.856 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.066 -2.385 6.380 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.517 -3.875 5.518 1.00 0.00 H new ATOM 0 HG23 VAL B 611 14.054 -2.422 4.601 1.00 0.00 H new ATOM 1428 N ALA B 612 9.743 -4.009 3.842 1.00 0.00 N ATOM 1429 CA ALA B 612 8.327 -4.356 3.853 1.00 0.00 C ATOM 1430 C ALA B 612 8.014 -5.419 2.806 1.00 0.00 C ATOM 1431 O ALA B 612 7.174 -6.292 3.024 1.00 0.00 O ATOM 1432 CB ALA B 612 7.478 -3.115 3.619 1.00 0.00 C ATOM 0 H ALA B 612 9.955 -3.116 3.397 1.00 0.00 H new ATOM 0 HA ALA B 612 8.087 -4.768 4.833 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.423 -3.389 3.630 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.672 -2.387 4.407 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.730 -2.679 2.652 1.00 0.00 H new ATOM 1438 N VAL B 613 8.695 -5.339 1.667 1.00 0.00 N ATOM 1439 CA VAL B 613 8.489 -6.295 0.585 1.00 0.00 C ATOM 1440 C VAL B 613 8.653 -7.728 1.079 1.00 0.00 C ATOM 1441 O VAL B 613 8.079 -8.660 0.515 1.00 0.00 O ATOM 1442 CB VAL B 613 9.471 -6.048 -0.576 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.633 -7.028 -0.510 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.752 -6.150 -1.912 1.00 0.00 C ATOM 0 H VAL B 613 9.394 -4.623 1.470 1.00 0.00 H new ATOM 0 HA VAL B 613 7.470 -6.152 0.226 1.00 0.00 H new ATOM 0 HB VAL B 613 9.872 -5.039 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.316 -6.838 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.163 -6.901 0.434 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.254 -8.047 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.461 -5.973 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.321 -7.146 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.958 -5.405 -1.956 1.00 0.00 H new ATOM 1454 N LEU B 614 9.439 -7.897 2.136 1.00 0.00 N ATOM 1455 CA LEU B 614 9.679 -9.217 2.708 1.00 0.00 C ATOM 1456 C LEU B 614 8.450 -9.714 3.464 1.00 0.00 C ATOM 1457 O LEU B 614 8.027 -10.858 3.295 1.00 0.00 O ATOM 1458 CB LEU B 614 10.887 -9.177 3.646 1.00 0.00 C ATOM 1459 CG LEU B 614 11.125 -10.431 4.488 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.269 -10.402 5.744 1.00 0.00 C ATOM 1461 CD2 LEU B 614 10.836 -11.683 3.673 1.00 0.00 C ATOM 0 H LEU B 614 9.921 -7.136 2.615 1.00 0.00 H new ATOM 0 HA LEU B 614 9.885 -9.908 1.891 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.779 -8.990 3.049 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.771 -8.328 4.320 1.00 0.00 H new ATOM 0 HG LEU B 614 12.173 -10.450 4.788 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.452 -11.303 6.330 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.524 -9.524 6.338 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.216 -10.358 5.466 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.011 -12.566 4.288 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.797 -11.670 3.343 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.493 -11.711 2.804 1.00 0.00 H new ATOM 1473 N GLN B 615 7.882 -8.847 4.295 1.00 0.00 N ATOM 1474 CA GLN B 615 6.701 -9.198 5.075 1.00 0.00 C ATOM 1475 C GLN B 615 5.575 -9.682 4.168 1.00 0.00 C ATOM 1476 O GLN B 615 4.705 -10.442 4.594 1.00 0.00 O ATOM 1477 CB GLN B 615 6.231 -7.997 5.896 1.00 0.00 C ATOM 1478 CG GLN B 615 7.344 -7.323 6.682 1.00 0.00 C ATOM 1479 CD GLN B 615 6.877 -6.803 8.027 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.688 -6.844 8.343 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.814 -6.311 8.830 1.00 0.00 N ATOM 0 H GLN B 615 8.220 -7.897 4.446 1.00 0.00 H new ATOM 0 HA GLN B 615 6.971 -10.008 5.752 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.776 -7.266 5.227 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.454 -8.322 6.588 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.157 -8.033 6.834 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.747 -6.496 6.097 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.788 -6.296 8.528 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.559 -5.948 9.749 1.00 0.00 H new ATOM 1490 N ALA B 616 5.597 -9.238 2.916 1.00 0.00 N ATOM 1491 CA ALA B 616 4.578 -9.627 1.949 1.00 0.00 C ATOM 1492 C ALA B 616 4.895 -10.986 1.334 1.00 0.00 C ATOM 1493 O ALA B 616 4.002 -11.688 0.860 1.00 0.00 O ATOM 1494 CB ALA B 616 4.451 -8.570 0.862 1.00 0.00 C ATOM 0 H ALA B 616 6.310 -8.608 2.547 1.00 0.00 H new ATOM 0 HA ALA B 616 3.626 -9.708 2.474 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.687 -8.874 0.147 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.170 -7.618 1.312 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.406 -8.460 0.348 1.00 0.00 H new ATOM 1500 N HIS B 617 6.174 -11.351 1.345 1.00 0.00 N ATOM 1501 CA HIS B 617 6.609 -12.627 0.788 1.00 0.00 C ATOM 1502 C HIS B 617 6.506 -13.738 1.829 1.00 0.00 C ATOM 1503 O HIS B 617 6.884 -13.553 2.985 1.00 0.00 O ATOM 1504 CB HIS B 617 8.047 -12.521 0.279 1.00 0.00 C ATOM 1505 CG HIS B 617 8.446 -13.646 -0.626 1.00 0.00 C ATOM 1506 ND1 HIS B 617 9.198 -14.722 -0.202 1.00 0.00 N ATOM 1507 CD2 HIS B 617 8.193 -13.860 -1.938 1.00 0.00 C ATOM 1508 CE1 HIS B 617 9.391 -15.547 -1.215 1.00 0.00 C ATOM 1509 NE2 HIS B 617 8.790 -15.048 -2.280 1.00 0.00 N ATOM 0 H HIS B 617 6.926 -10.782 1.733 1.00 0.00 H new ATOM 0 HA HIS B 617 5.953 -12.874 -0.047 1.00 0.00 H new ATOM 0 HB2 HIS B 617 8.167 -11.577 -0.253 1.00 0.00 H new ATOM 0 HB3 HIS B 617 8.725 -12.494 1.132 1.00 0.00 H new ATOM 0 HD2 HIS B 617 7.627 -13.216 -2.594 1.00 0.00 H new ATOM 0 HE1 HIS B 617 9.946 -16.473 -1.179 1.00 0.00 H new ATOM 0 HE2 HIS B 617 8.772 -15.476 -3.206 1.00 0.00 H new ATOM 1517 N GLN B 618 5.991 -14.889 1.409 1.00 0.00 N ATOM 1518 CA GLN B 618 5.837 -16.028 2.306 1.00 0.00 C ATOM 1519 C GLN B 618 6.744 -17.180 1.885 1.00 0.00 C ATOM 1520 O GLN B 618 6.741 -17.593 0.725 1.00 0.00 O ATOM 1521 CB GLN B 618 4.380 -16.493 2.329 1.00 0.00 C ATOM 1522 CG GLN B 618 4.097 -17.556 3.378 1.00 0.00 C ATOM 1523 CD GLN B 618 2.617 -17.844 3.533 1.00 0.00 C ATOM 1524 OE1 GLN B 618 1.813 -17.511 2.661 1.00 0.00 O ATOM 1525 NE2 GLN B 618 2.247 -18.465 4.647 1.00 0.00 N ATOM 0 H GLN B 618 5.674 -15.057 0.454 1.00 0.00 H new ATOM 0 HA GLN B 618 6.126 -15.710 3.308 1.00 0.00 H new ATOM 0 HB2 GLN B 618 3.736 -15.633 2.512 1.00 0.00 H new ATOM 0 HB3 GLN B 618 4.117 -16.885 1.347 1.00 0.00 H new ATOM 0 HG2 GLN B 618 4.616 -18.476 3.107 1.00 0.00 H new ATOM 0 HG3 GLN B 618 4.502 -17.232 4.337 1.00 0.00 H new ATOM 0 HE21 GLN B 618 2.946 -18.723 5.343 1.00 0.00 H new ATOM 0 HE22 GLN B 618 1.264 -18.684 4.806 1.00 0.00 H new ATOM 1534 N ALA B 619 7.521 -17.693 2.833 1.00 0.00 N ATOM 1535 CA ALA B 619 8.432 -18.797 2.560 1.00 0.00 C ATOM 1536 C ALA B 619 8.787 -19.545 3.841 1.00 0.00 C ATOM 1537 O ALA B 619 9.045 -18.934 4.878 1.00 0.00 O ATOM 1538 CB ALA B 619 9.692 -18.286 1.879 1.00 0.00 C ATOM 0 H ALA B 619 7.538 -17.361 3.797 1.00 0.00 H new ATOM 0 HA ALA B 619 7.928 -19.494 1.891 1.00 0.00 H new ATOM 0 HB1 ALA B 619 10.363 -19.122 1.681 1.00 0.00 H new ATOM 0 HB2 ALA B 619 9.427 -17.803 0.938 1.00 0.00 H new ATOM 0 HB3 ALA B 619 10.190 -17.566 2.529 1.00 0.00 H new ATOM 1544 N LYS B 620 8.797 -20.872 3.762 1.00 0.00 N ATOM 1545 CA LYS B 620 9.121 -21.704 4.915 1.00 0.00 C ATOM 1546 C LYS B 620 10.581 -22.144 4.875 1.00 0.00 C ATOM 1547 O LYS B 620 10.949 -23.036 4.112 1.00 0.00 O ATOM 1548 CB LYS B 620 8.208 -22.932 4.955 1.00 0.00 C ATOM 1549 CG LYS B 620 7.923 -23.433 6.360 1.00 0.00 C ATOM 1550 CD LYS B 620 6.784 -22.662 7.006 1.00 0.00 C ATOM 1551 CE LYS B 620 7.298 -21.485 7.820 1.00 0.00 C ATOM 1552 NZ LYS B 620 6.301 -21.030 8.829 1.00 0.00 N ATOM 0 H LYS B 620 8.584 -21.394 2.912 1.00 0.00 H new ATOM 0 HA LYS B 620 8.963 -21.111 5.816 1.00 0.00 H new ATOM 0 HB2 LYS B 620 7.264 -22.689 4.467 1.00 0.00 H new ATOM 0 HB3 LYS B 620 8.667 -23.735 4.378 1.00 0.00 H new ATOM 0 HG2 LYS B 620 7.672 -24.493 6.325 1.00 0.00 H new ATOM 0 HG3 LYS B 620 8.821 -23.337 6.971 1.00 0.00 H new ATOM 0 HD2 LYS B 620 6.103 -22.302 6.234 1.00 0.00 H new ATOM 0 HD3 LYS B 620 6.211 -23.329 7.651 1.00 0.00 H new ATOM 0 HE2 LYS B 620 8.222 -21.768 8.325 1.00 0.00 H new ATOM 0 HE3 LYS B 620 7.540 -20.659 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 620 6.689 -20.226 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 620 5.428 -20.735 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 620 6.088 -21.810 9.483 1.00 0.00 H new ATOM 1566 N GLU B 621 11.407 -21.512 5.703 1.00 0.00 N ATOM 1567 CA GLU B 621 12.827 -21.840 5.762 1.00 0.00 C ATOM 1568 C GLU B 621 13.094 -22.914 6.813 1.00 0.00 C ATOM 1569 O GLU B 621 13.625 -23.980 6.504 1.00 0.00 O ATOM 1570 CB GLU B 621 13.649 -20.588 6.076 1.00 0.00 C ATOM 1571 CG GLU B 621 13.626 -19.551 4.966 1.00 0.00 C ATOM 1572 CD GLU B 621 14.320 -20.029 3.705 1.00 0.00 C ATOM 1573 OE1 GLU B 621 15.422 -20.606 3.816 1.00 0.00 O ATOM 1574 OE2 GLU B 621 13.760 -19.827 2.607 1.00 0.00 O ATOM 0 H GLU B 621 11.118 -20.771 6.341 1.00 0.00 H new ATOM 0 HA GLU B 621 13.125 -22.227 4.788 1.00 0.00 H new ATOM 0 HB2 GLU B 621 13.270 -20.135 6.992 1.00 0.00 H new ATOM 0 HB3 GLU B 621 14.682 -20.880 6.268 1.00 0.00 H new ATOM 0 HG2 GLU B 621 12.592 -19.297 4.733 1.00 0.00 H new ATOM 0 HG3 GLU B 621 14.107 -18.638 5.317 1.00 0.00 H new ATOM 1581 N ALA B 622 12.723 -22.623 8.055 1.00 0.00 N ATOM 1582 CA ALA B 622 12.920 -23.563 9.152 1.00 0.00 C ATOM 1583 C ALA B 622 11.773 -24.565 9.230 1.00 0.00 C ATOM 1584 O ALA B 622 10.692 -24.247 9.724 1.00 0.00 O ATOM 1585 CB ALA B 622 13.062 -22.816 10.469 1.00 0.00 C ATOM 0 H ALA B 622 12.284 -21.743 8.327 1.00 0.00 H new ATOM 0 HA ALA B 622 13.839 -24.117 8.961 1.00 0.00 H new ATOM 0 HB1 ALA B 622 13.208 -23.531 11.279 1.00 0.00 H new ATOM 0 HB2 ALA B 622 13.920 -22.146 10.417 1.00 0.00 H new ATOM 0 HB3 ALA B 622 12.159 -22.235 10.657 1.00 0.00 H new ATOM 1591 N ALA B 623 12.016 -25.775 8.739 1.00 0.00 N ATOM 1592 CA ALA B 623 11.003 -26.823 8.754 1.00 0.00 C ATOM 1593 C ALA B 623 11.282 -27.840 9.857 1.00 0.00 C ATOM 1594 O ALA B 623 11.570 -29.005 9.581 1.00 0.00 O ATOM 1595 CB ALA B 623 10.938 -27.515 7.401 1.00 0.00 C ATOM 0 H ALA B 623 12.906 -26.054 8.326 1.00 0.00 H new ATOM 0 HA ALA B 623 10.038 -26.358 8.958 1.00 0.00 H new ATOM 0 HB1 ALA B 623 10.177 -28.295 7.427 1.00 0.00 H new ATOM 0 HB2 ALA B 623 10.684 -26.786 6.631 1.00 0.00 H new ATOM 0 HB3 ALA B 623 11.906 -27.960 7.173 1.00 0.00 H new TER 1601 ALA B 623