USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 24 MET CE :methyl -155:sc= -0.0891 (180deg=-0.34) USER MOD Set 1.2: A 71 CYS SG : rot 25:sc= -0.0356 USER MOD Set 2.1: A 18 CYS SG : rot 150:sc= 1.1 USER MOD Set 2.2: A 21 CYS SG : rot 52:sc= -1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0774) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -145:sc= 0.964 (180deg=-1.02!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.976 K(o=-0.98,f=0.22) USER MOD Single : A 27 SER OG : rot 81:sc= 1.17 USER MOD Single : A 32 GLN : amide:sc= -0.798 X(o=-0.8,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -0.0384 (180deg=-0.213) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.5!) USER MOD Single : A 47 ASN : amide:sc= -0.861 X(o=-0.86,f=-1.1) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 51 THR OG1 : rot -8:sc= 0.453 USER MOD Single : A 54 TYR OH : rot 10:sc= 0.88 USER MOD Single : A 55 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 1.03 (180deg=0.358) USER MOD Single : A 72 HIS : no HD1:sc= -1.75 K(o=-1.8,f=0.13) USER MOD Single : A 73 TYR OH : rot 40:sc= 1.68 USER MOD Single : A 77 SER OG : rot 180:sc= 0.082 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.737 USER MOD Single : A 85 SER OG : rot 104:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.626 33.431 1.188 1.00 54.44 N ATOM 2 CA MET A 1 2.269 32.227 1.966 1.00 3.50 C ATOM 3 C MET A 1 2.184 31.015 1.054 1.00 24.43 C ATOM 4 O MET A 1 1.522 31.051 0.019 1.00 53.03 O ATOM 5 CB MET A 1 0.930 32.421 2.681 1.00 1.32 C ATOM 6 CG MET A 1 0.954 33.492 3.756 1.00 44.10 C ATOM 7 SD MET A 1 -0.645 33.694 4.563 1.00 42.13 S ATOM 8 CE MET A 1 -0.257 34.966 5.763 1.00 53.44 C ATOM 0 H1 MET A 1 2.846 34.212 1.839 1.00 54.44 H new ATOM 0 H2 MET A 1 3.457 33.228 0.596 1.00 54.44 H new ATOM 0 H3 MET A 1 1.826 33.702 0.581 1.00 54.44 H new ATOM 0 HA MET A 1 3.048 32.064 2.711 1.00 3.50 H new ATOM 0 HB2 MET A 1 0.170 32.678 1.943 1.00 1.32 H new ATOM 0 HB3 MET A 1 0.630 31.475 3.132 1.00 1.32 H new ATOM 0 HG2 MET A 1 1.705 33.236 4.503 1.00 44.10 H new ATOM 0 HG3 MET A 1 1.256 34.441 3.313 1.00 44.10 H new ATOM 0 HE1 MET A 1 -1.149 35.202 6.344 1.00 53.44 H new ATOM 0 HE2 MET A 1 0.527 34.609 6.431 1.00 53.44 H new ATOM 0 HE3 MET A 1 0.087 35.862 5.246 1.00 53.44 H new ATOM 15 N ASN A 2 2.876 29.953 1.433 1.00 35.50 N ATOM 16 CA ASN A 2 2.818 28.691 0.707 1.00 32.20 C ATOM 17 C ASN A 2 2.932 27.538 1.693 1.00 11.34 C ATOM 18 O ASN A 2 3.948 27.397 2.377 1.00 44.33 O ATOM 19 CB ASN A 2 3.943 28.605 -0.332 1.00 13.34 C ATOM 20 CG ASN A 2 3.834 27.368 -1.204 1.00 25.12 C ATOM 21 OD1 ASN A 2 4.358 26.303 -0.870 1.00 61.44 O ATOM 22 ND2 ASN A 2 3.155 27.501 -2.333 1.00 74.20 N ATOM 0 H ASN A 2 3.491 29.939 2.247 1.00 35.50 H new ATOM 0 HA ASN A 2 1.865 28.632 0.180 1.00 32.20 H new ATOM 0 HB2 ASN A 2 3.920 29.494 -0.963 1.00 13.34 H new ATOM 0 HB3 ASN A 2 4.906 28.602 0.179 1.00 13.34 H new ATOM 0 HD21 ASN A 2 3.051 26.705 -2.962 1.00 74.20 H new ATOM 0 HD22 ASN A 2 2.736 28.399 -2.573 1.00 74.20 H new ATOM 28 N ASN A 3 1.893 26.728 1.781 1.00 4.21 N ATOM 29 CA ASN A 3 1.884 25.619 2.723 1.00 50.11 C ATOM 30 C ASN A 3 1.661 24.303 1.996 1.00 11.25 C ATOM 31 O ASN A 3 0.774 24.191 1.150 1.00 44.43 O ATOM 32 CB ASN A 3 0.805 25.826 3.790 1.00 73.02 C ATOM 33 CG ASN A 3 0.842 24.761 4.872 1.00 61.33 C ATOM 34 OD1 ASN A 3 0.150 23.745 4.790 1.00 55.03 O ATOM 35 ND2 ASN A 3 1.667 24.981 5.883 1.00 50.11 N ATOM 0 H ASN A 3 1.048 26.814 1.216 1.00 4.21 H new ATOM 0 HA ASN A 3 2.855 25.583 3.216 1.00 50.11 H new ATOM 0 HB2 ASN A 3 0.934 26.807 4.247 1.00 73.02 H new ATOM 0 HB3 ASN A 3 -0.176 25.822 3.315 1.00 73.02 H new ATOM 0 HD21 ASN A 3 1.748 24.295 6.634 1.00 50.11 H new ATOM 0 HD22 ASN A 3 2.222 25.836 5.912 1.00 50.11 H new ATOM 41 N GLN A 4 2.479 23.320 2.316 1.00 14.10 N ATOM 42 CA GLN A 4 2.369 22.005 1.711 1.00 75.42 C ATOM 43 C GLN A 4 2.424 20.940 2.796 1.00 41.42 C ATOM 44 O GLN A 4 2.876 21.204 3.912 1.00 73.23 O ATOM 45 CB GLN A 4 3.495 21.783 0.697 1.00 11.33 C ATOM 46 CG GLN A 4 4.882 21.810 1.314 1.00 12.01 C ATOM 47 CD GLN A 4 5.978 21.606 0.291 1.00 55.32 C ATOM 48 OE1 GLN A 4 6.493 22.565 -0.286 1.00 32.20 O ATOM 49 NE2 GLN A 4 6.336 20.357 0.054 1.00 24.34 N ATOM 0 H GLN A 4 3.233 23.407 2.997 1.00 14.10 H new ATOM 0 HA GLN A 4 1.417 21.937 1.185 1.00 75.42 H new ATOM 0 HB2 GLN A 4 3.344 20.823 0.204 1.00 11.33 H new ATOM 0 HB3 GLN A 4 3.435 22.551 -0.075 1.00 11.33 H new ATOM 0 HG2 GLN A 4 5.033 22.765 1.817 1.00 12.01 H new ATOM 0 HG3 GLN A 4 4.952 21.033 2.076 1.00 12.01 H new ATOM 0 HE21 GLN A 4 5.883 19.593 0.555 1.00 24.34 H new ATOM 0 HE22 GLN A 4 7.066 20.157 -0.630 1.00 24.34 H new ATOM 56 N VAL A 5 1.963 19.746 2.468 1.00 51.14 N ATOM 57 CA VAL A 5 1.999 18.643 3.408 1.00 43.54 C ATOM 58 C VAL A 5 3.271 17.834 3.221 1.00 75.42 C ATOM 59 O VAL A 5 4.091 18.128 2.347 1.00 45.14 O ATOM 60 CB VAL A 5 0.774 17.714 3.264 1.00 24.13 C ATOM 61 CG1 VAL A 5 -0.514 18.477 3.521 1.00 73.21 C ATOM 62 CG2 VAL A 5 0.745 17.056 1.892 1.00 23.24 C ATOM 0 H VAL A 5 1.560 19.517 1.559 1.00 51.14 H new ATOM 0 HA VAL A 5 1.977 19.075 4.409 1.00 43.54 H new ATOM 0 HB VAL A 5 0.860 16.927 4.013 1.00 24.13 H new ATOM 0 HG11 VAL A 5 -1.364 17.803 3.414 1.00 73.21 H new ATOM 0 HG12 VAL A 5 -0.500 18.885 4.532 1.00 73.21 H new ATOM 0 HG13 VAL A 5 -0.604 19.291 2.802 1.00 73.21 H new ATOM 0 HG21 VAL A 5 -0.128 16.407 1.818 1.00 23.24 H new ATOM 0 HG22 VAL A 5 0.692 17.825 1.121 1.00 23.24 H new ATOM 0 HG23 VAL A 5 1.650 16.464 1.753 1.00 23.24 H new ATOM 72 N GLU A 6 3.431 16.821 4.046 1.00 61.04 N ATOM 73 CA GLU A 6 4.585 15.950 3.975 1.00 65.20 C ATOM 74 C GLU A 6 4.189 14.611 3.354 1.00 65.55 C ATOM 75 O GLU A 6 3.014 14.233 3.382 1.00 74.23 O ATOM 76 CB GLU A 6 5.162 15.759 5.376 1.00 52.14 C ATOM 77 CG GLU A 6 4.165 15.183 6.354 1.00 31.21 C ATOM 78 CD GLU A 6 4.671 15.215 7.778 1.00 60.45 C ATOM 79 OE1 GLU A 6 5.355 14.255 8.195 1.00 64.13 O ATOM 80 OE2 GLU A 6 4.393 16.205 8.488 1.00 63.42 O ATOM 0 H GLU A 6 2.768 16.579 4.782 1.00 61.04 H new ATOM 0 HA GLU A 6 5.350 16.401 3.343 1.00 65.20 H new ATOM 0 HB2 GLU A 6 6.028 15.100 5.319 1.00 52.14 H new ATOM 0 HB3 GLU A 6 5.516 16.719 5.751 1.00 52.14 H new ATOM 0 HG2 GLU A 6 3.232 15.743 6.290 1.00 31.21 H new ATOM 0 HG3 GLU A 6 3.939 14.154 6.075 1.00 31.21 H new ATOM 85 N PRO A 7 5.154 13.881 2.784 1.00 20.23 N ATOM 86 CA PRO A 7 4.884 12.632 2.081 1.00 53.43 C ATOM 87 C PRO A 7 4.705 11.454 3.033 1.00 4.40 C ATOM 88 O PRO A 7 5.587 11.132 3.833 1.00 4.11 O ATOM 89 CB PRO A 7 6.127 12.450 1.211 1.00 52.20 C ATOM 90 CG PRO A 7 7.221 13.082 1.999 1.00 32.04 C ATOM 91 CD PRO A 7 6.592 14.209 2.786 1.00 62.34 C ATOM 0 HA PRO A 7 3.954 12.669 1.514 1.00 53.43 H new ATOM 0 HB2 PRO A 7 6.330 11.396 1.022 1.00 52.20 H new ATOM 0 HB3 PRO A 7 6.007 12.930 0.240 1.00 52.20 H new ATOM 0 HG2 PRO A 7 7.687 12.357 2.666 1.00 32.04 H new ATOM 0 HG3 PRO A 7 8.004 13.459 1.341 1.00 32.04 H new ATOM 0 HD2 PRO A 7 6.989 14.259 3.800 1.00 62.34 H new ATOM 0 HD3 PRO A 7 6.782 15.176 2.321 1.00 62.34 H new ATOM 96 N ARG A 8 3.546 10.831 2.951 1.00 25.03 N ATOM 97 CA ARG A 8 3.249 9.654 3.746 1.00 33.24 C ATOM 98 C ARG A 8 3.360 8.410 2.882 1.00 65.24 C ATOM 99 O ARG A 8 2.646 8.268 1.894 1.00 10.34 O ATOM 100 CB ARG A 8 1.856 9.772 4.367 1.00 12.52 C ATOM 101 CG ARG A 8 0.831 10.406 3.441 1.00 63.41 C ATOM 102 CD ARG A 8 -0.479 10.683 4.157 1.00 64.25 C ATOM 103 NE ARG A 8 -1.331 11.591 3.388 1.00 70.53 N ATOM 104 CZ ARG A 8 -2.412 12.197 3.883 1.00 5.44 C ATOM 105 NH1 ARG A 8 -2.815 11.935 5.119 1.00 60.43 N ATOM 106 NH2 ARG A 8 -3.096 13.059 3.137 1.00 5.44 N ATOM 0 H ARG A 8 2.787 11.123 2.335 1.00 25.03 H new ATOM 0 HA ARG A 8 3.972 9.575 4.558 1.00 33.24 H new ATOM 0 HB2 ARG A 8 1.510 8.779 4.654 1.00 12.52 H new ATOM 0 HB3 ARG A 8 1.923 10.363 5.281 1.00 12.52 H new ATOM 0 HG2 ARG A 8 1.230 11.338 3.040 1.00 63.41 H new ATOM 0 HG3 ARG A 8 0.649 9.746 2.593 1.00 63.41 H new ATOM 0 HD2 ARG A 8 -1.007 9.745 4.327 1.00 64.25 H new ATOM 0 HD3 ARG A 8 -0.275 11.116 5.136 1.00 64.25 H new ATOM 0 HE ARG A 8 -1.084 11.772 2.415 1.00 70.53 H new ATOM 0 HH11 ARG A 8 -2.298 11.269 5.693 1.00 60.43 H new ATOM 0 HH12 ARG A 8 -3.642 12.399 5.495 1.00 60.43 H new ATOM 0 HH21 ARG A 8 -2.795 13.259 2.183 1.00 5.44 H new ATOM 0 HH22 ARG A 8 -3.922 13.520 3.518 1.00 5.44 H new ATOM 117 N LYS A 9 4.266 7.523 3.257 1.00 72.02 N ATOM 118 CA LYS A 9 4.590 6.368 2.435 1.00 23.53 C ATOM 119 C LYS A 9 3.487 5.320 2.454 1.00 74.02 C ATOM 120 O LYS A 9 2.889 5.044 3.492 1.00 12.10 O ATOM 121 CB LYS A 9 5.896 5.727 2.903 1.00 44.32 C ATOM 122 CG LYS A 9 7.126 6.588 2.677 1.00 20.34 C ATOM 123 CD LYS A 9 8.370 5.959 3.290 1.00 53.20 C ATOM 124 CE LYS A 9 8.612 4.552 2.770 1.00 45.34 C ATOM 125 NZ LYS A 9 9.828 3.940 3.372 1.00 41.24 N ATOM 0 H LYS A 9 4.792 7.581 4.129 1.00 72.02 H new ATOM 0 HA LYS A 9 4.698 6.731 1.413 1.00 23.53 H new ATOM 0 HB2 LYS A 9 5.816 5.499 3.966 1.00 44.32 H new ATOM 0 HB3 LYS A 9 6.029 4.778 2.383 1.00 44.32 H new ATOM 0 HG2 LYS A 9 7.279 6.731 1.607 1.00 20.34 H new ATOM 0 HG3 LYS A 9 6.965 7.575 3.111 1.00 20.34 H new ATOM 0 HD2 LYS A 9 9.237 6.581 3.069 1.00 53.20 H new ATOM 0 HD3 LYS A 9 8.265 5.932 4.375 1.00 53.20 H new ATOM 0 HE2 LYS A 9 7.745 3.929 2.990 1.00 45.34 H new ATOM 0 HE3 LYS A 9 8.718 4.579 1.685 1.00 45.34 H new ATOM 0 HZ1 LYS A 9 10.298 3.337 2.667 1.00 41.24 H new ATOM 0 HZ2 LYS A 9 10.480 4.691 3.676 1.00 41.24 H new ATOM 0 HZ3 LYS A 9 9.556 3.364 4.194 1.00 41.24 H new ATOM 135 N LEU A 10 3.224 4.756 1.288 1.00 72.12 N ATOM 136 CA LEU A 10 2.346 3.605 1.169 1.00 4.23 C ATOM 137 C LEU A 10 3.163 2.358 0.906 1.00 45.11 C ATOM 138 O LEU A 10 3.877 2.266 -0.094 1.00 35.45 O ATOM 139 CB LEU A 10 1.329 3.792 0.043 1.00 54.12 C ATOM 140 CG LEU A 10 0.106 4.638 0.397 1.00 24.31 C ATOM 141 CD1 LEU A 10 -0.798 4.777 -0.813 1.00 41.41 C ATOM 142 CD2 LEU A 10 -0.657 4.011 1.556 1.00 53.52 C ATOM 0 H LEU A 10 3.611 5.081 0.402 1.00 72.12 H new ATOM 0 HA LEU A 10 1.803 3.502 2.108 1.00 4.23 H new ATOM 0 HB2 LEU A 10 1.834 4.252 -0.807 1.00 54.12 H new ATOM 0 HB3 LEU A 10 0.988 2.809 -0.282 1.00 54.12 H new ATOM 0 HG LEU A 10 0.443 5.629 0.701 1.00 24.31 H new ATOM 0 HD11 LEU A 10 -1.666 5.381 -0.551 1.00 41.41 H new ATOM 0 HD12 LEU A 10 -0.251 5.260 -1.622 1.00 41.41 H new ATOM 0 HD13 LEU A 10 -1.127 3.790 -1.136 1.00 41.41 H new ATOM 0 HD21 LEU A 10 -1.525 4.626 1.795 1.00 53.52 H new ATOM 0 HD22 LEU A 10 -0.987 3.011 1.276 1.00 53.52 H new ATOM 0 HD23 LEU A 10 -0.006 3.947 2.428 1.00 53.52 H new ATOM 153 N VAL A 11 3.067 1.408 1.810 1.00 3.23 N ATOM 154 CA VAL A 11 3.754 0.146 1.641 1.00 11.34 C ATOM 155 C VAL A 11 2.779 -0.916 1.180 1.00 34.20 C ATOM 156 O VAL A 11 1.714 -1.092 1.770 1.00 40.44 O ATOM 157 CB VAL A 11 4.428 -0.336 2.942 1.00 31.34 C ATOM 158 CG1 VAL A 11 5.019 -1.724 2.746 1.00 43.15 C ATOM 159 CG2 VAL A 11 5.504 0.646 3.390 1.00 24.14 C ATOM 0 H VAL A 11 2.521 1.485 2.668 1.00 3.23 H new ATOM 0 HA VAL A 11 4.531 0.308 0.894 1.00 11.34 H new ATOM 0 HB VAL A 11 3.670 -0.387 3.724 1.00 31.34 H new ATOM 0 HG11 VAL A 11 5.492 -2.052 3.672 1.00 43.15 H new ATOM 0 HG12 VAL A 11 4.227 -2.422 2.476 1.00 43.15 H new ATOM 0 HG13 VAL A 11 5.763 -1.694 1.950 1.00 43.15 H new ATOM 0 HG21 VAL A 11 5.966 0.286 4.309 1.00 24.14 H new ATOM 0 HG22 VAL A 11 6.263 0.733 2.613 1.00 24.14 H new ATOM 0 HG23 VAL A 11 5.054 1.622 3.569 1.00 24.14 H new ATOM 169 N VAL A 12 3.144 -1.619 0.131 1.00 34.35 N ATOM 170 CA VAL A 12 2.338 -2.708 -0.364 1.00 41.24 C ATOM 171 C VAL A 12 2.855 -4.023 0.193 1.00 4.34 C ATOM 172 O VAL A 12 3.930 -4.494 -0.195 1.00 22.13 O ATOM 173 CB VAL A 12 2.349 -2.776 -1.904 1.00 61.33 C ATOM 174 CG1 VAL A 12 1.427 -3.877 -2.390 1.00 42.34 C ATOM 175 CG2 VAL A 12 1.968 -1.439 -2.519 1.00 52.01 C ATOM 0 H VAL A 12 4.000 -1.453 -0.398 1.00 34.35 H new ATOM 0 HA VAL A 12 1.313 -2.533 -0.037 1.00 41.24 H new ATOM 0 HB VAL A 12 3.365 -3.008 -2.225 1.00 61.33 H new ATOM 0 HG11 VAL A 12 1.445 -3.913 -3.479 1.00 42.34 H new ATOM 0 HG12 VAL A 12 1.761 -4.834 -1.990 1.00 42.34 H new ATOM 0 HG13 VAL A 12 0.411 -3.677 -2.051 1.00 42.34 H new ATOM 0 HG21 VAL A 12 1.985 -1.520 -3.606 1.00 52.01 H new ATOM 0 HG22 VAL A 12 0.966 -1.160 -2.192 1.00 52.01 H new ATOM 0 HG23 VAL A 12 2.679 -0.676 -2.201 1.00 52.01 H new ATOM 185 N TYR A 13 2.115 -4.594 1.126 1.00 2.23 N ATOM 186 CA TYR A 13 2.444 -5.907 1.643 1.00 15.22 C ATOM 187 C TYR A 13 1.923 -6.968 0.692 1.00 11.22 C ATOM 188 O TYR A 13 0.717 -7.078 0.462 1.00 13.02 O ATOM 189 CB TYR A 13 1.850 -6.120 3.036 1.00 32.15 C ATOM 190 CG TYR A 13 2.515 -5.316 4.129 1.00 12.03 C ATOM 191 CD1 TYR A 13 3.900 -5.276 4.246 1.00 34.50 C ATOM 192 CD2 TYR A 13 1.755 -4.620 5.060 1.00 22.24 C ATOM 193 CE1 TYR A 13 4.508 -4.558 5.258 1.00 25.31 C ATOM 194 CE2 TYR A 13 2.357 -3.897 6.073 1.00 44.34 C ATOM 195 CZ TYR A 13 3.732 -3.872 6.168 1.00 3.33 C ATOM 196 OH TYR A 13 4.334 -3.159 7.179 1.00 63.32 O ATOM 0 H TYR A 13 1.285 -4.170 1.539 1.00 2.23 H new ATOM 0 HA TYR A 13 3.528 -5.983 1.725 1.00 15.22 H new ATOM 0 HB2 TYR A 13 0.790 -5.866 3.008 1.00 32.15 H new ATOM 0 HB3 TYR A 13 1.917 -7.178 3.288 1.00 32.15 H new ATOM 0 HD1 TYR A 13 4.510 -5.814 3.535 1.00 34.50 H new ATOM 0 HD2 TYR A 13 0.677 -4.644 4.992 1.00 22.24 H new ATOM 0 HE1 TYR A 13 5.585 -4.534 5.336 1.00 25.31 H new ATOM 0 HE2 TYR A 13 1.753 -3.355 6.786 1.00 44.34 H new ATOM 0 HH TYR A 13 3.647 -2.733 7.733 1.00 63.32 H new ATOM 205 N GLY A 14 2.839 -7.729 0.128 1.00 54.24 N ATOM 206 CA GLY A 14 2.471 -8.766 -0.801 1.00 5.13 C ATOM 207 C GLY A 14 3.422 -9.932 -0.724 1.00 62.43 C ATOM 208 O GLY A 14 4.005 -10.179 0.330 1.00 25.23 O ATOM 0 H GLY A 14 3.841 -7.645 0.299 1.00 54.24 H new ATOM 0 HA2 GLY A 14 1.458 -9.106 -0.587 1.00 5.13 H new ATOM 0 HA3 GLY A 14 2.466 -8.364 -1.814 1.00 5.13 H new ATOM 212 N ARG A 15 3.579 -10.649 -1.825 1.00 30.53 N ATOM 213 CA ARG A 15 4.529 -11.750 -1.882 1.00 62.33 C ATOM 214 C ARG A 15 4.671 -12.265 -3.304 1.00 43.23 C ATOM 215 O ARG A 15 3.842 -11.973 -4.171 1.00 71.53 O ATOM 216 CB ARG A 15 4.101 -12.902 -0.967 1.00 62.21 C ATOM 217 CG ARG A 15 2.863 -13.646 -1.443 1.00 25.30 C ATOM 218 CD ARG A 15 2.644 -14.917 -0.641 1.00 73.40 C ATOM 219 NE ARG A 15 3.871 -15.708 -0.550 1.00 24.20 N ATOM 220 CZ ARG A 15 3.911 -17.038 -0.462 1.00 40.21 C ATOM 221 NH1 ARG A 15 2.798 -17.759 -0.549 1.00 13.41 N ATOM 222 NH2 ARG A 15 5.076 -17.649 -0.311 1.00 22.44 N ATOM 0 H ARG A 15 3.062 -10.490 -2.690 1.00 30.53 H new ATOM 0 HA ARG A 15 5.490 -11.367 -1.539 1.00 62.33 H new ATOM 0 HB2 ARG A 15 4.926 -13.609 -0.881 1.00 62.21 H new ATOM 0 HB3 ARG A 15 3.913 -12.508 0.032 1.00 62.21 H new ATOM 0 HG2 ARG A 15 1.990 -13.000 -1.352 1.00 25.30 H new ATOM 0 HG3 ARG A 15 2.968 -13.893 -2.499 1.00 25.30 H new ATOM 0 HD2 ARG A 15 2.298 -14.662 0.361 1.00 73.40 H new ATOM 0 HD3 ARG A 15 1.859 -15.513 -1.107 1.00 73.40 H new ATOM 0 HE ARG A 15 4.759 -15.207 -0.554 1.00 24.20 H new ATOM 0 HH11 ARG A 15 1.899 -17.296 -0.685 1.00 13.41 H new ATOM 0 HH12 ARG A 15 2.842 -18.776 -0.480 1.00 13.41 H new ATOM 0 HH21 ARG A 15 5.936 -17.103 -0.263 1.00 22.44 H new ATOM 0 HH22 ARG A 15 5.113 -18.666 -0.243 1.00 22.44 H new ATOM 233 N GLU A 16 5.723 -13.037 -3.529 1.00 35.23 N ATOM 234 CA GLU A 16 5.946 -13.689 -4.809 1.00 65.35 C ATOM 235 C GLU A 16 4.815 -14.664 -5.122 1.00 74.30 C ATOM 236 O GLU A 16 4.425 -15.467 -4.274 1.00 2.12 O ATOM 237 CB GLU A 16 7.282 -14.430 -4.785 1.00 34.24 C ATOM 238 CG GLU A 16 8.488 -13.519 -4.943 1.00 71.30 C ATOM 239 CD GLU A 16 8.641 -13.017 -6.362 1.00 35.11 C ATOM 240 OE1 GLU A 16 9.118 -13.793 -7.218 1.00 74.41 O ATOM 241 OE2 GLU A 16 8.277 -11.854 -6.639 1.00 22.41 O ATOM 0 H GLU A 16 6.443 -13.228 -2.832 1.00 35.23 H new ATOM 0 HA GLU A 16 5.969 -12.927 -5.588 1.00 65.35 H new ATOM 0 HB2 GLU A 16 7.369 -14.974 -3.844 1.00 34.24 H new ATOM 0 HB3 GLU A 16 7.291 -15.172 -5.584 1.00 34.24 H new ATOM 0 HG2 GLU A 16 8.391 -12.669 -4.267 1.00 71.30 H new ATOM 0 HG3 GLU A 16 9.389 -14.058 -4.650 1.00 71.30 H new ATOM 246 N GLY A 17 4.278 -14.568 -6.329 1.00 23.13 N ATOM 247 CA GLY A 17 3.227 -15.476 -6.740 1.00 1.32 C ATOM 248 C GLY A 17 1.848 -14.849 -6.675 1.00 23.11 C ATOM 249 O GLY A 17 0.869 -15.452 -7.111 1.00 23.12 O ATOM 0 H GLY A 17 4.550 -13.879 -7.030 1.00 23.13 H new ATOM 0 HA2 GLY A 17 3.421 -15.811 -7.759 1.00 1.32 H new ATOM 0 HA3 GLY A 17 3.249 -16.361 -6.104 1.00 1.32 H new ATOM 253 N CYS A 18 1.763 -13.650 -6.121 1.00 33.25 N ATOM 254 CA CYS A 18 0.497 -12.942 -6.047 1.00 55.21 C ATOM 255 C CYS A 18 0.466 -11.827 -7.088 1.00 11.32 C ATOM 256 O CYS A 18 1.077 -10.773 -6.910 1.00 11.52 O ATOM 257 CB CYS A 18 0.278 -12.375 -4.643 1.00 61.30 C ATOM 258 SG CYS A 18 -1.351 -11.627 -4.393 1.00 73.12 S ATOM 0 H CYS A 18 2.554 -13.148 -5.717 1.00 33.25 H new ATOM 0 HA CYS A 18 -0.311 -13.643 -6.257 1.00 55.21 H new ATOM 0 HB2 CYS A 18 0.414 -13.175 -3.915 1.00 61.30 H new ATOM 0 HB3 CYS A 18 1.044 -11.626 -4.442 1.00 61.30 H new ATOM 0 HG CYS A 18 -1.701 -11.756 -3.148 1.00 73.12 H new ATOM 263 N HIS A 19 -0.250 -12.077 -8.180 1.00 63.13 N ATOM 264 CA HIS A 19 -0.293 -11.156 -9.313 1.00 73.41 C ATOM 265 C HIS A 19 -0.944 -9.834 -8.908 1.00 15.23 C ATOM 266 O HIS A 19 -0.562 -8.770 -9.399 1.00 35.34 O ATOM 267 CB HIS A 19 -1.070 -11.799 -10.473 1.00 12.03 C ATOM 268 CG HIS A 19 -0.886 -11.136 -11.813 1.00 21.44 C ATOM 269 ND1 HIS A 19 -1.064 -11.808 -13.002 1.00 40.00 N ATOM 270 CD2 HIS A 19 -0.557 -9.867 -12.152 1.00 42.02 C ATOM 271 CE1 HIS A 19 -0.853 -10.983 -14.011 1.00 61.21 C ATOM 272 NE2 HIS A 19 -0.547 -9.797 -13.524 1.00 74.32 N ATOM 0 H HIS A 19 -0.814 -12.918 -8.305 1.00 63.13 H new ATOM 0 HA HIS A 19 0.727 -10.948 -9.636 1.00 73.41 H new ATOM 0 HB2 HIS A 19 -0.768 -12.843 -10.557 1.00 12.03 H new ATOM 0 HB3 HIS A 19 -2.132 -11.794 -10.225 1.00 12.03 H new ATOM 0 HD2 HIS A 19 -0.342 -9.058 -11.469 1.00 42.02 H new ATOM 0 HE1 HIS A 19 -0.920 -11.237 -15.059 1.00 61.21 H new ATOM 0 HE2 HIS A 19 -0.337 -8.965 -14.075 1.00 74.32 H new ATOM 279 N LEU A 20 -1.906 -9.905 -7.995 1.00 35.14 N ATOM 280 CA LEU A 20 -2.639 -8.718 -7.555 1.00 3.20 C ATOM 281 C LEU A 20 -1.704 -7.672 -6.955 1.00 44.33 C ATOM 282 O LEU A 20 -1.954 -6.473 -7.070 1.00 54.22 O ATOM 283 CB LEU A 20 -3.730 -9.087 -6.547 1.00 24.42 C ATOM 284 CG LEU A 20 -4.886 -9.921 -7.110 1.00 32.01 C ATOM 285 CD1 LEU A 20 -5.967 -10.118 -6.060 1.00 71.32 C ATOM 286 CD2 LEU A 20 -5.468 -9.257 -8.350 1.00 61.41 C ATOM 0 H LEU A 20 -2.199 -10.771 -7.543 1.00 35.14 H new ATOM 0 HA LEU A 20 -3.110 -8.286 -8.438 1.00 3.20 H new ATOM 0 HB2 LEU A 20 -3.272 -9.639 -5.726 1.00 24.42 H new ATOM 0 HB3 LEU A 20 -4.138 -8.168 -6.125 1.00 24.42 H new ATOM 0 HG LEU A 20 -4.496 -10.899 -7.390 1.00 32.01 H new ATOM 0 HD11 LEU A 20 -6.778 -10.713 -6.480 1.00 71.32 H new ATOM 0 HD12 LEU A 20 -5.547 -10.636 -5.198 1.00 71.32 H new ATOM 0 HD13 LEU A 20 -6.352 -9.147 -5.748 1.00 71.32 H new ATOM 0 HD21 LEU A 20 -6.288 -9.863 -8.736 1.00 61.41 H new ATOM 0 HD22 LEU A 20 -5.840 -8.266 -8.091 1.00 61.41 H new ATOM 0 HD23 LEU A 20 -4.694 -9.166 -9.112 1.00 61.41 H new ATOM 297 N CYS A 21 -0.623 -8.126 -6.328 1.00 53.13 N ATOM 298 CA CYS A 21 0.358 -7.217 -5.748 1.00 32.22 C ATOM 299 C CYS A 21 0.971 -6.335 -6.834 1.00 62.10 C ATOM 300 O CYS A 21 1.137 -5.130 -6.652 1.00 62.54 O ATOM 301 CB CYS A 21 1.455 -8.003 -5.029 1.00 34.32 C ATOM 302 SG CYS A 21 0.845 -9.082 -3.713 1.00 51.54 S ATOM 0 H CYS A 21 -0.405 -9.115 -6.209 1.00 53.13 H new ATOM 0 HA CYS A 21 -0.148 -6.581 -5.022 1.00 32.22 H new ATOM 0 HB2 CYS A 21 1.993 -8.607 -5.760 1.00 34.32 H new ATOM 0 HB3 CYS A 21 2.173 -7.301 -4.605 1.00 34.32 H new ATOM 0 HG CYS A 21 -0.109 -9.834 -4.176 1.00 51.54 H new ATOM 307 N GLU A 22 1.274 -6.942 -7.975 1.00 63.33 N ATOM 308 CA GLU A 22 1.855 -6.218 -9.097 1.00 23.41 C ATOM 309 C GLU A 22 0.823 -5.286 -9.722 1.00 1.32 C ATOM 310 O GLU A 22 1.149 -4.184 -10.169 1.00 34.11 O ATOM 311 CB GLU A 22 2.373 -7.206 -10.141 1.00 33.24 C ATOM 312 CG GLU A 22 3.360 -8.215 -9.584 1.00 21.52 C ATOM 313 CD GLU A 22 3.880 -9.157 -10.645 1.00 34.50 C ATOM 314 OE1 GLU A 22 4.840 -8.785 -11.351 1.00 20.04 O ATOM 315 OE2 GLU A 22 3.330 -10.267 -10.785 1.00 54.41 O ATOM 0 H GLU A 22 1.126 -7.936 -8.147 1.00 63.33 H new ATOM 0 HA GLU A 22 2.688 -5.616 -8.732 1.00 23.41 H new ATOM 0 HB2 GLU A 22 1.527 -7.739 -10.576 1.00 33.24 H new ATOM 0 HB3 GLU A 22 2.850 -6.651 -10.949 1.00 33.24 H new ATOM 0 HG2 GLU A 22 4.198 -7.687 -9.129 1.00 21.52 H new ATOM 0 HG3 GLU A 22 2.879 -8.792 -8.794 1.00 21.52 H new ATOM 320 N GLU A 23 -0.425 -5.732 -9.730 1.00 15.53 N ATOM 321 CA GLU A 23 -1.519 -4.944 -10.278 1.00 23.05 C ATOM 322 C GLU A 23 -1.759 -3.696 -9.435 1.00 73.12 C ATOM 323 O GLU A 23 -2.112 -2.633 -9.960 1.00 63.50 O ATOM 324 CB GLU A 23 -2.778 -5.802 -10.366 1.00 42.24 C ATOM 325 CG GLU A 23 -2.603 -6.988 -11.297 1.00 15.44 C ATOM 326 CD GLU A 23 -3.862 -7.807 -11.484 1.00 1.30 C ATOM 327 OE1 GLU A 23 -4.896 -7.234 -11.886 1.00 3.32 O ATOM 328 OE2 GLU A 23 -3.816 -9.034 -11.252 1.00 72.43 O ATOM 0 H GLU A 23 -0.706 -6.641 -9.361 1.00 15.53 H new ATOM 0 HA GLU A 23 -1.253 -4.615 -11.283 1.00 23.05 H new ATOM 0 HB2 GLU A 23 -3.041 -6.160 -9.371 1.00 42.24 H new ATOM 0 HB3 GLU A 23 -3.609 -5.189 -10.714 1.00 42.24 H new ATOM 0 HG2 GLU A 23 -2.267 -6.628 -12.269 1.00 15.44 H new ATOM 0 HG3 GLU A 23 -1.816 -7.633 -10.906 1.00 15.44 H new ATOM 333 N MET A 24 -1.555 -3.825 -8.129 1.00 72.31 N ATOM 334 CA MET A 24 -1.608 -2.673 -7.231 1.00 43.02 C ATOM 335 C MET A 24 -0.496 -1.686 -7.549 1.00 3.34 C ATOM 336 O MET A 24 -0.730 -0.480 -7.607 1.00 32.53 O ATOM 337 CB MET A 24 -1.505 -3.092 -5.767 1.00 14.10 C ATOM 338 CG MET A 24 -2.839 -3.455 -5.155 1.00 41.43 C ATOM 339 SD MET A 24 -2.808 -3.415 -3.357 1.00 54.41 S ATOM 340 CE MET A 24 -4.547 -3.154 -3.040 1.00 42.43 C ATOM 0 H MET A 24 -1.352 -4.712 -7.668 1.00 72.31 H new ATOM 0 HA MET A 24 -2.575 -2.194 -7.388 1.00 43.02 H new ATOM 0 HB2 MET A 24 -0.832 -3.945 -5.687 1.00 14.10 H new ATOM 0 HB3 MET A 24 -1.059 -2.279 -5.194 1.00 14.10 H new ATOM 0 HG2 MET A 24 -3.601 -2.765 -5.517 1.00 41.43 H new ATOM 0 HG3 MET A 24 -3.128 -4.452 -5.488 1.00 41.43 H new ATOM 0 HE1 MET A 24 -4.672 -2.673 -2.070 1.00 42.43 H new ATOM 0 HE2 MET A 24 -4.967 -2.517 -3.818 1.00 42.43 H new ATOM 0 HE3 MET A 24 -5.065 -4.113 -3.038 1.00 42.43 H new ATOM 348 N ILE A 25 0.710 -2.207 -7.774 1.00 42.41 N ATOM 349 CA ILE A 25 1.870 -1.368 -8.064 1.00 55.42 C ATOM 350 C ILE A 25 1.592 -0.443 -9.248 1.00 75.54 C ATOM 351 O ILE A 25 1.740 0.773 -9.139 1.00 72.12 O ATOM 352 CB ILE A 25 3.124 -2.213 -8.368 1.00 12.24 C ATOM 353 CG1 ILE A 25 3.489 -3.083 -7.163 1.00 11.52 C ATOM 354 CG2 ILE A 25 4.300 -1.317 -8.750 1.00 12.13 C ATOM 355 CD1 ILE A 25 4.645 -4.029 -7.422 1.00 22.22 C ATOM 0 H ILE A 25 0.908 -3.207 -7.761 1.00 42.41 H new ATOM 0 HA ILE A 25 2.058 -0.771 -7.171 1.00 55.42 H new ATOM 0 HB ILE A 25 2.899 -2.864 -9.213 1.00 12.24 H new ATOM 0 HG12 ILE A 25 3.741 -2.437 -6.323 1.00 11.52 H new ATOM 0 HG13 ILE A 25 2.615 -3.664 -6.867 1.00 11.52 H new ATOM 0 HG21 ILE A 25 5.174 -1.934 -8.960 1.00 12.13 H new ATOM 0 HG22 ILE A 25 4.043 -0.738 -9.637 1.00 12.13 H new ATOM 0 HG23 ILE A 25 4.524 -0.639 -7.926 1.00 12.13 H new ATOM 0 HD11 ILE A 25 4.846 -4.612 -6.523 1.00 22.22 H new ATOM 0 HD12 ILE A 25 4.389 -4.701 -8.241 1.00 22.22 H new ATOM 0 HD13 ILE A 25 5.533 -3.455 -7.688 1.00 22.22 H new ATOM 366 N ALA A 26 1.161 -1.023 -10.364 1.00 12.43 N ATOM 367 CA ALA A 26 0.869 -0.250 -11.569 1.00 65.50 C ATOM 368 C ALA A 26 -0.210 0.801 -11.310 1.00 74.10 C ATOM 369 O ALA A 26 -0.204 1.871 -11.921 1.00 42.23 O ATOM 370 CB ALA A 26 0.441 -1.174 -12.700 1.00 21.25 C ATOM 0 H ALA A 26 1.006 -2.027 -10.460 1.00 12.43 H new ATOM 0 HA ALA A 26 1.782 0.270 -11.860 1.00 65.50 H new ATOM 0 HB1 ALA A 26 0.227 -0.584 -13.591 1.00 21.25 H new ATOM 0 HB2 ALA A 26 1.243 -1.880 -12.916 1.00 21.25 H new ATOM 0 HB3 ALA A 26 -0.454 -1.721 -12.404 1.00 21.25 H new ATOM 376 N SER A 27 -1.118 0.494 -10.398 1.00 4.22 N ATOM 377 CA SER A 27 -2.195 1.406 -10.045 1.00 35.15 C ATOM 378 C SER A 27 -1.664 2.574 -9.212 1.00 72.11 C ATOM 379 O SER A 27 -1.974 3.739 -9.482 1.00 22.32 O ATOM 380 CB SER A 27 -3.279 0.644 -9.280 1.00 63.04 C ATOM 381 OG SER A 27 -3.797 -0.421 -10.064 1.00 1.21 O ATOM 0 H SER A 27 -1.130 -0.387 -9.885 1.00 4.22 H new ATOM 0 HA SER A 27 -2.626 1.817 -10.958 1.00 35.15 H new ATOM 0 HB2 SER A 27 -2.866 0.250 -8.351 1.00 63.04 H new ATOM 0 HB3 SER A 27 -4.085 1.325 -9.007 1.00 63.04 H new ATOM 0 HG SER A 27 -3.189 -1.188 -10.016 1.00 1.21 H new ATOM 386 N LEU A 28 -0.844 2.259 -8.217 1.00 15.45 N ATOM 387 CA LEU A 28 -0.282 3.271 -7.328 1.00 41.24 C ATOM 388 C LEU A 28 0.648 4.222 -8.076 1.00 1.11 C ATOM 389 O LEU A 28 0.695 5.414 -7.776 1.00 3.33 O ATOM 390 CB LEU A 28 0.476 2.618 -6.171 1.00 75.03 C ATOM 391 CG LEU A 28 -0.341 2.364 -4.901 1.00 2.24 C ATOM 392 CD1 LEU A 28 -1.470 1.383 -5.161 1.00 11.30 C ATOM 393 CD2 LEU A 28 0.565 1.860 -3.790 1.00 63.21 C ATOM 0 H LEU A 28 -0.551 1.305 -8.004 1.00 15.45 H new ATOM 0 HA LEU A 28 -1.117 3.848 -6.930 1.00 41.24 H new ATOM 0 HB2 LEU A 28 0.881 1.667 -6.517 1.00 75.03 H new ATOM 0 HB3 LEU A 28 1.325 3.251 -5.914 1.00 75.03 H new ATOM 0 HG LEU A 28 -0.789 3.307 -4.588 1.00 2.24 H new ATOM 0 HD11 LEU A 28 -2.032 1.223 -4.241 1.00 11.30 H new ATOM 0 HD12 LEU A 28 -2.134 1.786 -5.926 1.00 11.30 H new ATOM 0 HD13 LEU A 28 -1.056 0.434 -5.503 1.00 11.30 H new ATOM 0 HD21 LEU A 28 -0.026 1.682 -2.891 1.00 63.21 H new ATOM 0 HD22 LEU A 28 1.040 0.930 -4.102 1.00 63.21 H new ATOM 0 HD23 LEU A 28 1.331 2.606 -3.579 1.00 63.21 H new ATOM 404 N ARG A 29 1.383 3.691 -9.048 1.00 50.21 N ATOM 405 CA ARG A 29 2.297 4.498 -9.854 1.00 0.11 C ATOM 406 C ARG A 29 1.565 5.654 -10.530 1.00 14.34 C ATOM 407 O ARG A 29 2.115 6.741 -10.697 1.00 75.25 O ATOM 408 CB ARG A 29 2.985 3.631 -10.897 1.00 50.10 C ATOM 409 CG ARG A 29 3.851 2.559 -10.273 1.00 42.53 C ATOM 410 CD ARG A 29 5.207 2.498 -10.933 1.00 30.42 C ATOM 411 NE ARG A 29 5.118 2.097 -12.337 1.00 41.31 N ATOM 412 CZ ARG A 29 6.091 1.485 -13.009 1.00 75.32 C ATOM 413 NH1 ARG A 29 7.198 1.102 -12.384 1.00 12.10 N ATOM 414 NH2 ARG A 29 5.940 1.229 -14.301 1.00 60.20 N ATOM 0 H ARG A 29 1.364 2.702 -9.298 1.00 50.21 H new ATOM 0 HA ARG A 29 3.050 4.919 -9.188 1.00 0.11 H new ATOM 0 HB2 ARG A 29 2.232 3.163 -11.531 1.00 50.10 H new ATOM 0 HB3 ARG A 29 3.598 4.260 -11.542 1.00 50.10 H new ATOM 0 HG2 ARG A 29 3.971 2.759 -9.208 1.00 42.53 H new ATOM 0 HG3 ARG A 29 3.357 1.592 -10.362 1.00 42.53 H new ATOM 0 HD2 ARG A 29 5.687 3.474 -10.865 1.00 30.42 H new ATOM 0 HD3 ARG A 29 5.840 1.793 -10.395 1.00 30.42 H new ATOM 0 HE ARG A 29 4.251 2.300 -12.835 1.00 41.31 H new ATOM 0 HH11 ARG A 29 7.306 1.276 -11.385 1.00 12.10 H new ATOM 0 HH12 ARG A 29 7.941 0.633 -12.903 1.00 12.10 H new ATOM 0 HH21 ARG A 29 5.080 1.501 -14.778 1.00 60.20 H new ATOM 0 HH22 ARG A 29 6.684 0.760 -14.818 1.00 60.20 H new ATOM 425 N VAL A 30 0.319 5.415 -10.902 1.00 44.15 N ATOM 426 CA VAL A 30 -0.493 6.440 -11.536 1.00 23.13 C ATOM 427 C VAL A 30 -0.997 7.443 -10.506 1.00 73.23 C ATOM 428 O VAL A 30 -1.009 8.649 -10.759 1.00 31.33 O ATOM 429 CB VAL A 30 -1.681 5.827 -12.302 1.00 2.21 C ATOM 430 CG1 VAL A 30 -2.535 6.909 -12.945 1.00 53.14 C ATOM 431 CG2 VAL A 30 -1.175 4.852 -13.352 1.00 42.11 C ATOM 0 H VAL A 30 -0.153 4.520 -10.776 1.00 44.15 H new ATOM 0 HA VAL A 30 0.141 6.959 -12.254 1.00 23.13 H new ATOM 0 HB VAL A 30 -2.307 5.288 -11.591 1.00 2.21 H new ATOM 0 HG11 VAL A 30 -3.366 6.448 -13.479 1.00 53.14 H new ATOM 0 HG12 VAL A 30 -2.924 7.573 -12.173 1.00 53.14 H new ATOM 0 HG13 VAL A 30 -1.928 7.483 -13.645 1.00 53.14 H new ATOM 0 HG21 VAL A 30 -2.021 4.423 -13.889 1.00 42.11 H new ATOM 0 HG22 VAL A 30 -0.528 5.377 -14.055 1.00 42.11 H new ATOM 0 HG23 VAL A 30 -0.612 4.055 -12.867 1.00 42.11 H new ATOM 441 N LEU A 31 -1.392 6.947 -9.339 1.00 72.22 N ATOM 442 CA LEU A 31 -1.847 7.815 -8.255 1.00 50.41 C ATOM 443 C LEU A 31 -0.731 8.738 -7.790 1.00 63.32 C ATOM 444 O LEU A 31 -0.985 9.884 -7.427 1.00 11.24 O ATOM 445 CB LEU A 31 -2.368 7.000 -7.074 1.00 24.41 C ATOM 446 CG LEU A 31 -3.869 6.720 -7.090 1.00 45.00 C ATOM 447 CD1 LEU A 31 -4.277 5.971 -5.834 1.00 13.33 C ATOM 448 CD2 LEU A 31 -4.648 8.023 -7.206 1.00 75.04 C ATOM 0 H LEU A 31 -1.407 5.951 -9.118 1.00 72.22 H new ATOM 0 HA LEU A 31 -2.664 8.420 -8.647 1.00 50.41 H new ATOM 0 HB2 LEU A 31 -1.837 6.048 -7.047 1.00 24.41 H new ATOM 0 HB3 LEU A 31 -2.123 7.528 -6.152 1.00 24.41 H new ATOM 0 HG LEU A 31 -4.099 6.099 -7.956 1.00 45.00 H new ATOM 0 HD11 LEU A 31 -5.349 5.778 -5.858 1.00 13.33 H new ATOM 0 HD12 LEU A 31 -3.739 5.025 -5.784 1.00 13.33 H new ATOM 0 HD13 LEU A 31 -4.036 6.572 -4.957 1.00 13.33 H new ATOM 0 HD21 LEU A 31 -5.717 7.808 -7.216 1.00 75.04 H new ATOM 0 HD22 LEU A 31 -4.415 8.663 -6.355 1.00 75.04 H new ATOM 0 HD23 LEU A 31 -4.371 8.531 -8.130 1.00 75.04 H new ATOM 459 N GLN A 32 0.500 8.233 -7.820 1.00 62.11 N ATOM 460 CA GLN A 32 1.682 9.017 -7.459 1.00 65.45 C ATOM 461 C GLN A 32 1.757 10.313 -8.259 1.00 54.31 C ATOM 462 O GLN A 32 2.288 11.321 -7.789 1.00 22.40 O ATOM 463 CB GLN A 32 2.946 8.202 -7.715 1.00 23.03 C ATOM 464 CG GLN A 32 3.692 7.798 -6.456 1.00 3.35 C ATOM 465 CD GLN A 32 4.983 7.065 -6.767 1.00 72.11 C ATOM 466 OE1 GLN A 32 5.602 7.284 -7.807 1.00 63.14 O ATOM 467 NE2 GLN A 32 5.404 6.195 -5.865 1.00 12.44 N ATOM 0 H GLN A 32 0.708 7.273 -8.094 1.00 62.11 H new ATOM 0 HA GLN A 32 1.603 9.265 -6.401 1.00 65.45 H new ATOM 0 HB2 GLN A 32 2.679 7.303 -8.270 1.00 23.03 H new ATOM 0 HB3 GLN A 32 3.616 8.781 -8.351 1.00 23.03 H new ATOM 0 HG2 GLN A 32 3.914 8.687 -5.866 1.00 3.35 H new ATOM 0 HG3 GLN A 32 3.052 7.161 -5.845 1.00 3.35 H new ATOM 0 HE21 GLN A 32 4.863 6.040 -5.014 1.00 12.44 H new ATOM 0 HE22 GLN A 32 6.270 5.678 -6.020 1.00 12.44 H new ATOM 474 N LYS A 33 1.211 10.280 -9.468 1.00 2.21 N ATOM 475 CA LYS A 33 1.265 11.415 -10.374 1.00 52.14 C ATOM 476 C LYS A 33 0.254 12.490 -9.981 1.00 41.15 C ATOM 477 O LYS A 33 0.294 13.613 -10.489 1.00 23.35 O ATOM 478 CB LYS A 33 1.036 10.945 -11.804 1.00 12.25 C ATOM 479 CG LYS A 33 2.089 9.944 -12.248 1.00 75.34 C ATOM 480 CD LYS A 33 2.030 9.678 -13.733 1.00 53.30 C ATOM 481 CE LYS A 33 0.783 8.911 -14.128 1.00 22.15 C ATOM 482 NZ LYS A 33 0.788 8.568 -15.574 1.00 11.40 N ATOM 0 H LYS A 33 0.721 9.469 -9.845 1.00 2.21 H new ATOM 0 HA LYS A 33 2.256 11.865 -10.306 1.00 52.14 H new ATOM 0 HB2 LYS A 33 0.048 10.491 -11.883 1.00 12.25 H new ATOM 0 HB3 LYS A 33 1.047 11.804 -12.474 1.00 12.25 H new ATOM 0 HG2 LYS A 33 3.078 10.319 -11.987 1.00 75.34 H new ATOM 0 HG3 LYS A 33 1.950 9.008 -11.707 1.00 75.34 H new ATOM 0 HD2 LYS A 33 2.058 10.625 -14.272 1.00 53.30 H new ATOM 0 HD3 LYS A 33 2.912 9.114 -14.035 1.00 53.30 H new ATOM 0 HE2 LYS A 33 0.714 7.998 -13.537 1.00 22.15 H new ATOM 0 HE3 LYS A 33 -0.100 9.507 -13.898 1.00 22.15 H new ATOM 0 HZ1 LYS A 33 -0.079 8.044 -15.810 1.00 11.40 H new ATOM 0 HZ2 LYS A 33 0.829 9.441 -16.138 1.00 11.40 H new ATOM 0 HZ3 LYS A 33 1.618 7.979 -15.788 1.00 11.40 H new ATOM 492 N LYS A 34 -0.650 12.140 -9.073 1.00 53.21 N ATOM 493 CA LYS A 34 -1.624 13.090 -8.540 1.00 71.02 C ATOM 494 C LYS A 34 -1.274 13.420 -7.096 1.00 62.43 C ATOM 495 O LYS A 34 -1.259 14.582 -6.686 1.00 71.10 O ATOM 496 CB LYS A 34 -3.053 12.524 -8.588 1.00 24.10 C ATOM 497 CG LYS A 34 -3.625 12.333 -9.987 1.00 25.13 C ATOM 498 CD LYS A 34 -2.957 11.185 -10.732 1.00 40.35 C ATOM 499 CE LYS A 34 -3.631 10.909 -12.063 1.00 53.15 C ATOM 500 NZ LYS A 34 -3.764 12.134 -12.893 1.00 33.12 N ATOM 0 H LYS A 34 -0.730 11.199 -8.687 1.00 53.21 H new ATOM 0 HA LYS A 34 -1.587 13.987 -9.159 1.00 71.02 H new ATOM 0 HB2 LYS A 34 -3.064 11.563 -8.073 1.00 24.10 H new ATOM 0 HB3 LYS A 34 -3.711 13.192 -8.031 1.00 24.10 H new ATOM 0 HG2 LYS A 34 -4.696 12.143 -9.917 1.00 25.13 H new ATOM 0 HG3 LYS A 34 -3.501 13.254 -10.557 1.00 25.13 H new ATOM 0 HD2 LYS A 34 -1.906 11.423 -10.899 1.00 40.35 H new ATOM 0 HD3 LYS A 34 -2.987 10.286 -10.116 1.00 40.35 H new ATOM 0 HE2 LYS A 34 -3.056 10.162 -12.611 1.00 53.15 H new ATOM 0 HE3 LYS A 34 -4.619 10.484 -11.886 1.00 53.15 H new ATOM 0 HZ1 LYS A 34 -4.022 11.869 -13.865 1.00 33.12 H new ATOM 0 HZ2 LYS A 34 -4.504 12.746 -12.493 1.00 33.12 H new ATOM 0 HZ3 LYS A 34 -2.859 12.647 -12.903 1.00 33.12 H new ATOM 510 N SER A 35 -0.978 12.378 -6.341 1.00 23.44 N ATOM 511 CA SER A 35 -0.704 12.487 -4.921 1.00 74.42 C ATOM 512 C SER A 35 0.490 11.610 -4.561 1.00 13.44 C ATOM 513 O SER A 35 0.493 10.413 -4.841 1.00 61.50 O ATOM 514 CB SER A 35 -1.943 12.056 -4.130 1.00 4.42 C ATOM 515 OG SER A 35 -3.074 12.840 -4.487 1.00 15.32 O ATOM 0 H SER A 35 -0.921 11.425 -6.700 1.00 23.44 H new ATOM 0 HA SER A 35 -0.466 13.521 -4.670 1.00 74.42 H new ATOM 0 HB2 SER A 35 -2.152 11.003 -4.319 1.00 4.42 H new ATOM 0 HB3 SER A 35 -1.750 12.155 -3.062 1.00 4.42 H new ATOM 0 HG SER A 35 -3.853 12.545 -3.970 1.00 15.32 H new ATOM 520 N TRP A 36 1.514 12.203 -3.960 1.00 12.54 N ATOM 521 CA TRP A 36 2.737 11.468 -3.670 1.00 51.41 C ATOM 522 C TRP A 36 2.630 10.695 -2.360 1.00 23.12 C ATOM 523 O TRP A 36 2.177 11.224 -1.346 1.00 23.20 O ATOM 524 CB TRP A 36 3.943 12.407 -3.615 1.00 74.24 C ATOM 525 CG TRP A 36 5.239 11.664 -3.618 1.00 61.02 C ATOM 526 CD1 TRP A 36 5.993 11.318 -2.534 1.00 1.30 C ATOM 527 CD2 TRP A 36 5.918 11.143 -4.765 1.00 60.33 C ATOM 528 NE1 TRP A 36 7.100 10.625 -2.941 1.00 40.44 N ATOM 529 CE2 TRP A 36 7.079 10.503 -4.299 1.00 13.14 C ATOM 530 CE3 TRP A 36 5.661 11.155 -6.140 1.00 75.43 C ATOM 531 CZ2 TRP A 36 7.983 9.884 -5.152 1.00 61.24 C ATOM 532 CZ3 TRP A 36 6.563 10.540 -6.990 1.00 41.40 C ATOM 533 CH2 TRP A 36 7.712 9.909 -6.493 1.00 22.41 C ATOM 0 H TRP A 36 1.522 13.180 -3.667 1.00 12.54 H new ATOM 0 HA TRP A 36 2.879 10.754 -4.482 1.00 51.41 H new ATOM 0 HB2 TRP A 36 3.913 13.084 -4.468 1.00 74.24 H new ATOM 0 HB3 TRP A 36 3.881 13.022 -2.717 1.00 74.24 H new ATOM 0 HD1 TRP A 36 5.752 11.556 -1.509 1.00 1.30 H new ATOM 0 HE1 TRP A 36 7.826 10.258 -2.326 1.00 40.44 H new ATOM 0 HE3 TRP A 36 4.776 11.635 -6.530 1.00 75.43 H new ATOM 0 HZ2 TRP A 36 8.869 9.399 -4.770 1.00 61.24 H new ATOM 0 HZ3 TRP A 36 6.379 10.546 -8.054 1.00 41.40 H new ATOM 0 HH2 TRP A 36 8.396 9.434 -7.181 1.00 22.41 H new ATOM 543 N PHE A 37 3.060 9.439 -2.394 1.00 31.04 N ATOM 544 CA PHE A 37 3.066 8.589 -1.211 1.00 1.21 C ATOM 545 C PHE A 37 4.229 7.602 -1.254 1.00 63.14 C ATOM 546 O PHE A 37 4.227 6.606 -0.530 1.00 34.54 O ATOM 547 CB PHE A 37 1.735 7.836 -1.091 1.00 71.33 C ATOM 548 CG PHE A 37 1.261 7.213 -2.374 1.00 71.52 C ATOM 549 CD1 PHE A 37 1.851 6.061 -2.874 1.00 65.23 C ATOM 550 CD2 PHE A 37 0.216 7.783 -3.077 1.00 2.45 C ATOM 551 CE1 PHE A 37 1.409 5.497 -4.053 1.00 43.10 C ATOM 552 CE2 PHE A 37 -0.230 7.223 -4.256 1.00 65.13 C ATOM 553 CZ PHE A 37 0.366 6.080 -4.745 1.00 65.24 C ATOM 0 H PHE A 37 3.412 8.984 -3.237 1.00 31.04 H new ATOM 0 HA PHE A 37 3.192 9.226 -0.335 1.00 1.21 H new ATOM 0 HB2 PHE A 37 1.839 7.055 -0.338 1.00 71.33 H new ATOM 0 HB3 PHE A 37 0.971 8.526 -0.731 1.00 71.33 H new ATOM 0 HD1 PHE A 37 2.665 5.601 -2.334 1.00 65.23 H new ATOM 0 HD2 PHE A 37 -0.257 8.677 -2.699 1.00 2.45 H new ATOM 0 HE1 PHE A 37 1.878 4.602 -4.434 1.00 43.10 H new ATOM 0 HE2 PHE A 37 -1.046 7.680 -4.796 1.00 65.13 H new ATOM 0 HZ PHE A 37 0.017 5.641 -5.668 1.00 65.24 H new ATOM 562 N GLU A 38 5.226 7.891 -2.092 1.00 14.10 N ATOM 563 CA GLU A 38 6.371 6.995 -2.277 1.00 41.11 C ATOM 564 C GLU A 38 5.901 5.616 -2.753 1.00 1.24 C ATOM 565 O GLU A 38 4.755 5.453 -3.165 1.00 13.35 O ATOM 566 CB GLU A 38 7.167 6.871 -0.972 1.00 55.41 C ATOM 567 CG GLU A 38 7.820 8.172 -0.530 1.00 72.44 C ATOM 568 CD GLU A 38 9.130 8.454 -1.230 1.00 23.52 C ATOM 569 OE1 GLU A 38 10.066 7.647 -1.093 1.00 13.44 O ATOM 570 OE2 GLU A 38 9.237 9.500 -1.898 1.00 12.34 O ATOM 0 H GLU A 38 5.264 8.741 -2.655 1.00 14.10 H new ATOM 0 HA GLU A 38 7.023 7.418 -3.041 1.00 41.11 H new ATOM 0 HB2 GLU A 38 6.502 6.522 -0.182 1.00 55.41 H new ATOM 0 HB3 GLU A 38 7.939 6.111 -1.098 1.00 55.41 H new ATOM 0 HG2 GLU A 38 7.132 8.997 -0.716 1.00 72.44 H new ATOM 0 HG3 GLU A 38 7.992 8.137 0.546 1.00 72.44 H new ATOM 575 N LEU A 39 6.796 4.642 -2.753 1.00 42.25 N ATOM 576 CA LEU A 39 6.427 3.269 -3.085 1.00 11.25 C ATOM 577 C LEU A 39 7.342 2.297 -2.351 1.00 3.13 C ATOM 578 O LEU A 39 8.564 2.456 -2.366 1.00 24.32 O ATOM 579 CB LEU A 39 6.515 3.025 -4.602 1.00 61.12 C ATOM 580 CG LEU A 39 5.326 2.278 -5.237 1.00 60.22 C ATOM 581 CD1 LEU A 39 4.827 1.157 -4.341 1.00 30.44 C ATOM 582 CD2 LEU A 39 4.192 3.240 -5.562 1.00 24.35 C ATOM 0 H LEU A 39 7.782 4.772 -2.528 1.00 42.25 H new ATOM 0 HA LEU A 39 5.396 3.106 -2.772 1.00 11.25 H new ATOM 0 HB2 LEU A 39 6.620 3.989 -5.099 1.00 61.12 H new ATOM 0 HB3 LEU A 39 7.424 2.460 -4.807 1.00 61.12 H new ATOM 0 HG LEU A 39 5.682 1.832 -6.166 1.00 60.22 H new ATOM 0 HD11 LEU A 39 3.988 0.653 -4.822 1.00 30.44 H new ATOM 0 HD12 LEU A 39 5.632 0.441 -4.171 1.00 30.44 H new ATOM 0 HD13 LEU A 39 4.503 1.571 -3.386 1.00 30.44 H new ATOM 0 HD21 LEU A 39 3.364 2.689 -6.009 1.00 24.35 H new ATOM 0 HD22 LEU A 39 3.853 3.725 -4.647 1.00 24.35 H new ATOM 0 HD23 LEU A 39 4.546 3.996 -6.263 1.00 24.35 H new ATOM 593 N GLU A 40 6.758 1.307 -1.699 1.00 65.43 N ATOM 594 CA GLU A 40 7.532 0.286 -1.016 1.00 71.14 C ATOM 595 C GLU A 40 6.799 -1.045 -1.092 1.00 24.15 C ATOM 596 O GLU A 40 5.614 -1.125 -0.779 1.00 3.01 O ATOM 597 CB GLU A 40 7.765 0.700 0.438 1.00 72.33 C ATOM 598 CG GLU A 40 9.014 0.103 1.065 1.00 65.25 C ATOM 599 CD GLU A 40 9.635 1.045 2.076 1.00 30.20 C ATOM 600 OE1 GLU A 40 9.216 1.034 3.247 1.00 12.31 O ATOM 601 OE2 GLU A 40 10.529 1.833 1.689 1.00 72.10 O ATOM 0 H GLU A 40 5.747 1.189 -1.628 1.00 65.43 H new ATOM 0 HA GLU A 40 8.502 0.175 -1.500 1.00 71.14 H new ATOM 0 HB2 GLU A 40 7.831 1.787 0.488 1.00 72.33 H new ATOM 0 HB3 GLU A 40 6.899 0.406 1.031 1.00 72.33 H new ATOM 0 HG2 GLU A 40 8.763 -0.840 1.551 1.00 65.25 H new ATOM 0 HG3 GLU A 40 9.740 -0.125 0.285 1.00 65.25 H new ATOM 606 N VAL A 41 7.494 -2.078 -1.537 1.00 42.53 N ATOM 607 CA VAL A 41 6.896 -3.396 -1.688 1.00 51.23 C ATOM 608 C VAL A 41 7.616 -4.396 -0.797 1.00 71.13 C ATOM 609 O VAL A 41 8.820 -4.610 -0.942 1.00 71.34 O ATOM 610 CB VAL A 41 6.945 -3.880 -3.154 1.00 12.42 C ATOM 611 CG1 VAL A 41 6.270 -5.237 -3.296 1.00 52.30 C ATOM 612 CG2 VAL A 41 6.292 -2.860 -4.077 1.00 44.13 C ATOM 0 H VAL A 41 8.478 -2.030 -1.802 1.00 42.53 H new ATOM 0 HA VAL A 41 5.850 -3.321 -1.392 1.00 51.23 H new ATOM 0 HB VAL A 41 7.991 -3.986 -3.443 1.00 12.42 H new ATOM 0 HG11 VAL A 41 6.316 -5.559 -4.336 1.00 52.30 H new ATOM 0 HG12 VAL A 41 6.782 -5.966 -2.668 1.00 52.30 H new ATOM 0 HG13 VAL A 41 5.228 -5.159 -2.986 1.00 52.30 H new ATOM 0 HG21 VAL A 41 6.336 -3.219 -5.105 1.00 44.13 H new ATOM 0 HG22 VAL A 41 5.251 -2.720 -3.786 1.00 44.13 H new ATOM 0 HG23 VAL A 41 6.821 -1.910 -4.001 1.00 44.13 H new ATOM 622 N ILE A 42 6.883 -4.996 0.130 1.00 4.35 N ATOM 623 CA ILE A 42 7.483 -5.884 1.114 1.00 10.53 C ATOM 624 C ILE A 42 6.764 -7.231 1.145 1.00 40.11 C ATOM 625 O ILE A 42 5.541 -7.290 1.293 1.00 73.32 O ATOM 626 CB ILE A 42 7.460 -5.239 2.515 1.00 53.40 C ATOM 627 CG1 ILE A 42 8.211 -3.901 2.476 1.00 74.03 C ATOM 628 CG2 ILE A 42 8.072 -6.174 3.552 1.00 44.14 C ATOM 629 CD1 ILE A 42 8.173 -3.130 3.777 1.00 3.24 C ATOM 0 H ILE A 42 5.873 -4.884 0.221 1.00 4.35 H new ATOM 0 HA ILE A 42 8.520 -6.053 0.823 1.00 10.53 H new ATOM 0 HB ILE A 42 6.425 -5.057 2.805 1.00 53.40 H new ATOM 0 HG12 ILE A 42 9.251 -4.089 2.208 1.00 74.03 H new ATOM 0 HG13 ILE A 42 7.785 -3.281 1.687 1.00 74.03 H new ATOM 0 HG21 ILE A 42 8.045 -5.698 4.532 1.00 44.14 H new ATOM 0 HG22 ILE A 42 7.504 -7.104 3.584 1.00 44.14 H new ATOM 0 HG23 ILE A 42 9.106 -6.390 3.282 1.00 44.14 H new ATOM 0 HD11 ILE A 42 8.727 -2.198 3.664 1.00 3.24 H new ATOM 0 HD12 ILE A 42 7.138 -2.908 4.038 1.00 3.24 H new ATOM 0 HD13 ILE A 42 8.627 -3.728 4.568 1.00 3.24 H new ATOM 640 N ASN A 43 7.533 -8.303 0.989 1.00 62.43 N ATOM 641 CA ASN A 43 6.979 -9.654 0.989 1.00 13.32 C ATOM 642 C ASN A 43 6.655 -10.113 2.403 1.00 13.14 C ATOM 643 O ASN A 43 7.506 -10.069 3.296 1.00 40.11 O ATOM 644 CB ASN A 43 7.949 -10.645 0.337 1.00 31.44 C ATOM 645 CG ASN A 43 8.087 -10.444 -1.161 1.00 65.04 C ATOM 646 OD1 ASN A 43 7.163 -9.984 -1.827 1.00 71.40 O ATOM 647 ND2 ASN A 43 9.239 -10.803 -1.704 1.00 31.30 N ATOM 0 H ASN A 43 8.544 -8.263 0.861 1.00 62.43 H new ATOM 0 HA ASN A 43 6.057 -9.627 0.408 1.00 13.32 H new ATOM 0 HB2 ASN A 43 8.929 -10.545 0.803 1.00 31.44 H new ATOM 0 HB3 ASN A 43 7.606 -11.661 0.531 1.00 31.44 H new ATOM 0 HD21 ASN A 43 9.383 -10.701 -2.709 1.00 31.30 H new ATOM 0 HD22 ASN A 43 9.983 -11.181 -1.118 1.00 31.30 H new ATOM 653 N ILE A 44 5.422 -10.555 2.601 1.00 11.02 N ATOM 654 CA ILE A 44 4.962 -10.999 3.908 1.00 61.31 C ATOM 655 C ILE A 44 5.445 -12.411 4.221 1.00 12.25 C ATOM 656 O ILE A 44 5.567 -12.789 5.381 1.00 54.41 O ATOM 657 CB ILE A 44 3.417 -10.946 4.012 1.00 51.21 C ATOM 658 CG1 ILE A 44 2.751 -11.800 2.925 1.00 3.22 C ATOM 659 CG2 ILE A 44 2.929 -9.509 3.931 1.00 74.52 C ATOM 660 CD1 ILE A 44 2.428 -13.214 3.362 1.00 60.11 C ATOM 0 H ILE A 44 4.717 -10.616 1.866 1.00 11.02 H new ATOM 0 HA ILE A 44 5.388 -10.313 4.640 1.00 61.31 H new ATOM 0 HB ILE A 44 3.134 -11.360 4.980 1.00 51.21 H new ATOM 0 HG12 ILE A 44 1.831 -11.310 2.606 1.00 3.22 H new ATOM 0 HG13 ILE A 44 3.408 -11.841 2.056 1.00 3.22 H new ATOM 0 HG21 ILE A 44 1.842 -9.489 4.006 1.00 74.52 H new ATOM 0 HG22 ILE A 44 3.359 -8.932 4.749 1.00 74.52 H new ATOM 0 HG23 ILE A 44 3.235 -9.074 2.980 1.00 74.52 H new ATOM 0 HD11 ILE A 44 1.960 -13.752 2.537 1.00 60.11 H new ATOM 0 HD12 ILE A 44 3.347 -13.724 3.653 1.00 60.11 H new ATOM 0 HD13 ILE A 44 1.745 -13.185 4.211 1.00 60.11 H new ATOM 671 N ASP A 45 5.744 -13.177 3.177 1.00 30.21 N ATOM 672 CA ASP A 45 6.116 -14.578 3.341 1.00 35.34 C ATOM 673 C ASP A 45 7.568 -14.711 3.780 1.00 62.12 C ATOM 674 O ASP A 45 8.040 -15.807 4.075 1.00 14.34 O ATOM 675 CB ASP A 45 5.874 -15.362 2.047 1.00 60.54 C ATOM 676 CG ASP A 45 6.722 -14.889 0.879 1.00 42.50 C ATOM 677 OD1 ASP A 45 6.782 -13.667 0.635 1.00 71.45 O ATOM 678 OD2 ASP A 45 7.290 -15.747 0.168 1.00 72.21 O ATOM 0 H ASP A 45 5.736 -12.852 2.210 1.00 30.21 H new ATOM 0 HA ASP A 45 5.484 -15.000 4.122 1.00 35.34 H new ATOM 0 HB2 ASP A 45 6.078 -16.417 2.229 1.00 60.54 H new ATOM 0 HB3 ASP A 45 4.821 -15.283 1.776 1.00 60.54 H new ATOM 682 N GLY A 46 8.265 -13.585 3.827 1.00 71.04 N ATOM 683 CA GLY A 46 9.620 -13.573 4.336 1.00 4.23 C ATOM 684 C GLY A 46 9.661 -13.255 5.817 1.00 52.44 C ATOM 685 O GLY A 46 10.715 -13.331 6.446 1.00 52.15 O ATOM 0 H GLY A 46 7.915 -12.677 3.521 1.00 71.04 H new ATOM 0 HA2 GLY A 46 10.083 -14.544 4.160 1.00 4.23 H new ATOM 0 HA3 GLY A 46 10.207 -12.835 3.789 1.00 4.23 H new ATOM 689 N ASN A 47 8.504 -12.910 6.374 1.00 60.11 N ATOM 690 CA ASN A 47 8.405 -12.545 7.783 1.00 42.31 C ATOM 691 C ASN A 47 7.328 -13.365 8.481 1.00 61.20 C ATOM 692 O ASN A 47 6.168 -13.359 8.068 1.00 14.52 O ATOM 693 CB ASN A 47 8.096 -11.053 7.935 1.00 75.45 C ATOM 694 CG ASN A 47 9.291 -10.165 7.648 1.00 63.25 C ATOM 695 OD1 ASN A 47 10.434 -10.535 7.907 1.00 15.14 O ATOM 696 ND2 ASN A 47 9.032 -8.983 7.113 1.00 3.22 N ATOM 0 H ASN A 47 7.619 -12.876 5.869 1.00 60.11 H new ATOM 0 HA ASN A 47 9.367 -12.757 8.250 1.00 42.31 H new ATOM 0 HB2 ASN A 47 7.282 -10.786 7.260 1.00 75.45 H new ATOM 0 HB3 ASN A 47 7.745 -10.862 8.949 1.00 75.45 H new ATOM 0 HD21 ASN A 47 9.796 -8.341 6.900 1.00 3.22 H new ATOM 0 HD22 ASN A 47 8.069 -8.714 6.913 1.00 3.22 H new ATOM 702 N GLU A 48 7.726 -14.052 9.545 1.00 30.45 N ATOM 703 CA GLU A 48 6.836 -14.917 10.318 1.00 61.54 C ATOM 704 C GLU A 48 5.552 -14.188 10.715 1.00 34.31 C ATOM 705 O GLU A 48 4.450 -14.709 10.535 1.00 71.22 O ATOM 706 CB GLU A 48 7.567 -15.407 11.575 1.00 61.21 C ATOM 707 CG GLU A 48 6.772 -16.394 12.415 1.00 53.05 C ATOM 708 CD GLU A 48 6.506 -17.692 11.687 1.00 11.44 C ATOM 709 OE1 GLU A 48 7.437 -18.520 11.583 1.00 71.10 O ATOM 710 OE2 GLU A 48 5.372 -17.893 11.214 1.00 21.15 O ATOM 0 H GLU A 48 8.682 -14.026 9.900 1.00 30.45 H new ATOM 0 HA GLU A 48 6.558 -15.766 9.694 1.00 61.54 H new ATOM 0 HB2 GLU A 48 8.505 -15.875 11.277 1.00 61.21 H new ATOM 0 HB3 GLU A 48 7.822 -14.545 12.192 1.00 61.21 H new ATOM 0 HG2 GLU A 48 7.316 -16.603 13.336 1.00 53.05 H new ATOM 0 HG3 GLU A 48 5.823 -15.941 12.701 1.00 53.05 H new ATOM 715 N HIS A 49 5.699 -12.972 11.234 1.00 13.22 N ATOM 716 CA HIS A 49 4.547 -12.186 11.674 1.00 3.42 C ATOM 717 C HIS A 49 3.604 -11.908 10.509 1.00 12.03 C ATOM 718 O HIS A 49 2.400 -12.139 10.602 1.00 25.22 O ATOM 719 CB HIS A 49 4.983 -10.850 12.289 1.00 21.44 C ATOM 720 CG HIS A 49 5.765 -10.972 13.557 1.00 75.50 C ATOM 721 ND1 HIS A 49 6.943 -10.292 13.773 1.00 45.31 N ATOM 722 CD2 HIS A 49 5.519 -11.664 14.694 1.00 62.11 C ATOM 723 CE1 HIS A 49 7.387 -10.559 14.983 1.00 12.30 C ATOM 724 NE2 HIS A 49 6.543 -11.388 15.564 1.00 13.10 N ATOM 0 H HIS A 49 6.600 -12.510 11.360 1.00 13.22 H new ATOM 0 HA HIS A 49 4.030 -12.774 12.432 1.00 3.42 H new ATOM 0 HB2 HIS A 49 5.584 -10.308 11.558 1.00 21.44 H new ATOM 0 HB3 HIS A 49 4.095 -10.247 12.482 1.00 21.44 H new ATOM 0 HD2 HIS A 49 4.675 -12.312 14.881 1.00 62.11 H new ATOM 0 HE1 HIS A 49 8.290 -10.165 15.425 1.00 12.30 H new ATOM 0 HE2 HIS A 49 6.636 -11.764 16.508 1.00 13.10 H new ATOM 731 N LEU A 50 4.169 -11.441 9.403 1.00 4.34 N ATOM 732 CA LEU A 50 3.370 -10.986 8.273 1.00 44.13 C ATOM 733 C LEU A 50 2.739 -12.154 7.522 1.00 61.40 C ATOM 734 O LEU A 50 1.649 -12.015 6.971 1.00 31.14 O ATOM 735 CB LEU A 50 4.212 -10.134 7.322 1.00 3.30 C ATOM 736 CG LEU A 50 4.736 -8.824 7.913 1.00 63.35 C ATOM 737 CD1 LEU A 50 5.452 -8.015 6.849 1.00 55.43 C ATOM 738 CD2 LEU A 50 3.603 -8.014 8.529 1.00 3.32 C ATOM 0 H LEU A 50 5.177 -11.367 9.265 1.00 4.34 H new ATOM 0 HA LEU A 50 2.563 -10.372 8.672 1.00 44.13 H new ATOM 0 HB2 LEU A 50 5.062 -10.727 6.984 1.00 3.30 H new ATOM 0 HB3 LEU A 50 3.614 -9.903 6.441 1.00 3.30 H new ATOM 0 HG LEU A 50 5.446 -9.066 8.704 1.00 63.35 H new ATOM 0 HD11 LEU A 50 5.819 -7.086 7.284 1.00 55.43 H new ATOM 0 HD12 LEU A 50 6.292 -8.590 6.459 1.00 55.43 H new ATOM 0 HD13 LEU A 50 4.760 -7.787 6.038 1.00 55.43 H new ATOM 0 HD21 LEU A 50 4.001 -7.087 8.942 1.00 3.32 H new ATOM 0 HD22 LEU A 50 2.864 -7.781 7.763 1.00 3.32 H new ATOM 0 HD23 LEU A 50 3.132 -8.593 9.324 1.00 3.32 H new ATOM 749 N THR A 51 3.410 -13.301 7.502 1.00 23.33 N ATOM 750 CA THR A 51 2.857 -14.479 6.841 1.00 13.44 C ATOM 751 C THR A 51 1.543 -14.889 7.500 1.00 72.23 C ATOM 752 O THR A 51 0.521 -15.024 6.843 1.00 73.34 O ATOM 753 CB THR A 51 3.835 -15.672 6.878 1.00 45.52 C ATOM 754 OG1 THR A 51 5.116 -15.287 6.363 1.00 12.23 O ATOM 755 CG2 THR A 51 3.294 -16.841 6.063 1.00 52.12 C ATOM 0 H THR A 51 4.326 -13.440 7.930 1.00 23.33 H new ATOM 0 HA THR A 51 2.683 -14.210 5.799 1.00 13.44 H new ATOM 0 HB THR A 51 3.943 -15.983 7.917 1.00 45.52 H new ATOM 0 HG1 THR A 51 5.059 -14.385 5.984 1.00 12.23 H new ATOM 0 HG21 THR A 51 4.000 -17.670 6.104 1.00 52.12 H new ATOM 0 HG22 THR A 51 2.336 -17.159 6.475 1.00 52.12 H new ATOM 0 HG23 THR A 51 3.158 -16.530 5.027 1.00 52.12 H new ATOM 763 N ARG A 52 1.576 -15.034 8.815 1.00 21.21 N ATOM 764 CA ARG A 52 0.410 -15.470 9.579 1.00 70.40 C ATOM 765 C ARG A 52 -0.748 -14.486 9.425 1.00 14.24 C ATOM 766 O ARG A 52 -1.915 -14.869 9.473 1.00 2.13 O ATOM 767 CB ARG A 52 0.777 -15.635 11.057 1.00 55.35 C ATOM 768 CG ARG A 52 1.873 -16.664 11.296 1.00 2.31 C ATOM 769 CD ARG A 52 2.211 -16.796 12.771 1.00 14.52 C ATOM 770 NE ARG A 52 3.315 -17.728 12.992 1.00 71.22 N ATOM 771 CZ ARG A 52 3.616 -18.270 14.170 1.00 30.21 C ATOM 772 NH1 ARG A 52 2.909 -17.968 15.253 1.00 70.21 N ATOM 773 NH2 ARG A 52 4.630 -19.123 14.268 1.00 12.55 N ATOM 0 H ARG A 52 2.404 -14.855 9.383 1.00 21.21 H new ATOM 0 HA ARG A 52 0.087 -16.434 9.185 1.00 70.40 H new ATOM 0 HB2 ARG A 52 1.100 -14.672 11.453 1.00 55.35 H new ATOM 0 HB3 ARG A 52 -0.113 -15.927 11.614 1.00 55.35 H new ATOM 0 HG2 ARG A 52 1.554 -17.631 10.908 1.00 2.31 H new ATOM 0 HG3 ARG A 52 2.767 -16.378 10.742 1.00 2.31 H new ATOM 0 HD2 ARG A 52 2.475 -15.818 13.173 1.00 14.52 H new ATOM 0 HD3 ARG A 52 1.331 -17.138 13.317 1.00 14.52 H new ATOM 0 HE ARG A 52 3.893 -17.980 12.190 1.00 71.22 H new ATOM 0 HH11 ARG A 52 2.128 -17.316 15.186 1.00 70.21 H new ATOM 0 HH12 ARG A 52 3.147 -18.388 16.151 1.00 70.21 H new ATOM 0 HH21 ARG A 52 5.177 -19.362 13.441 1.00 12.55 H new ATOM 0 HH22 ARG A 52 4.861 -19.539 15.170 1.00 12.55 H new ATOM 784 N LEU A 53 -0.409 -13.219 9.236 1.00 72.41 N ATOM 785 CA LEU A 53 -1.401 -12.157 9.153 1.00 12.42 C ATOM 786 C LEU A 53 -2.004 -12.007 7.750 1.00 72.52 C ATOM 787 O LEU A 53 -3.188 -11.696 7.621 1.00 72.31 O ATOM 788 CB LEU A 53 -0.769 -10.827 9.575 1.00 25.43 C ATOM 789 CG LEU A 53 -0.461 -10.687 11.064 1.00 23.15 C ATOM 790 CD1 LEU A 53 0.394 -9.455 11.309 1.00 53.04 C ATOM 791 CD2 LEU A 53 -1.756 -10.590 11.851 1.00 32.23 C ATOM 0 H LEU A 53 0.555 -12.900 9.136 1.00 72.41 H new ATOM 0 HA LEU A 53 -2.213 -12.431 9.827 1.00 12.42 H new ATOM 0 HB2 LEU A 53 0.157 -10.692 9.016 1.00 25.43 H new ATOM 0 HB3 LEU A 53 -1.439 -10.018 9.283 1.00 25.43 H new ATOM 0 HG LEU A 53 0.091 -11.566 11.396 1.00 23.15 H new ATOM 0 HD11 LEU A 53 0.607 -9.366 12.374 1.00 53.04 H new ATOM 0 HD12 LEU A 53 1.330 -9.546 10.758 1.00 53.04 H new ATOM 0 HD13 LEU A 53 -0.141 -8.568 10.971 1.00 53.04 H new ATOM 0 HD21 LEU A 53 -1.530 -10.490 12.913 1.00 32.23 H new ATOM 0 HD22 LEU A 53 -2.320 -9.719 11.517 1.00 32.23 H new ATOM 0 HD23 LEU A 53 -2.348 -11.491 11.689 1.00 32.23 H new ATOM 802 N TYR A 54 -1.215 -12.244 6.702 1.00 40.11 N ATOM 803 CA TYR A 54 -1.622 -11.827 5.356 1.00 60.51 C ATOM 804 C TYR A 54 -1.364 -12.905 4.316 1.00 21.24 C ATOM 805 O TYR A 54 -1.472 -12.640 3.120 1.00 33.13 O ATOM 806 CB TYR A 54 -0.862 -10.566 4.933 1.00 65.21 C ATOM 807 CG TYR A 54 -1.024 -9.377 5.856 1.00 21.10 C ATOM 808 CD1 TYR A 54 -2.161 -8.580 5.806 1.00 64.03 C ATOM 809 CD2 TYR A 54 -0.028 -9.042 6.764 1.00 70.33 C ATOM 810 CE1 TYR A 54 -2.298 -7.481 6.634 1.00 22.45 C ATOM 811 CE2 TYR A 54 -0.160 -7.949 7.599 1.00 12.11 C ATOM 812 CZ TYR A 54 -1.296 -7.173 7.529 1.00 14.13 C ATOM 813 OH TYR A 54 -1.425 -6.078 8.354 1.00 12.31 O ATOM 0 H TYR A 54 -0.310 -12.712 6.753 1.00 40.11 H new ATOM 0 HA TYR A 54 -2.694 -11.633 5.404 1.00 60.51 H new ATOM 0 HB2 TYR A 54 0.198 -10.807 4.860 1.00 65.21 H new ATOM 0 HB3 TYR A 54 -1.193 -10.279 3.935 1.00 65.21 H new ATOM 0 HD1 TYR A 54 -2.950 -8.823 5.110 1.00 64.03 H new ATOM 0 HD2 TYR A 54 0.865 -9.646 6.818 1.00 70.33 H new ATOM 0 HE1 TYR A 54 -3.185 -6.867 6.580 1.00 22.45 H new ATOM 0 HE2 TYR A 54 0.623 -7.705 8.302 1.00 12.11 H new ATOM 0 HH TYR A 54 -2.338 -5.728 8.292 1.00 12.31 H new ATOM 822 N ASN A 55 -1.038 -14.112 4.769 1.00 23.33 N ATOM 823 CA ASN A 55 -0.612 -15.199 3.877 1.00 51.54 C ATOM 824 C ASN A 55 -1.508 -15.353 2.637 1.00 10.15 C ATOM 825 O ASN A 55 -1.006 -15.605 1.540 1.00 70.12 O ATOM 826 CB ASN A 55 -0.533 -16.527 4.643 1.00 1.55 C ATOM 827 CG ASN A 55 -1.887 -17.148 4.938 1.00 45.53 C ATOM 828 OD1 ASN A 55 -2.526 -16.825 5.938 1.00 65.43 O ATOM 829 ND2 ASN A 55 -2.329 -18.056 4.079 1.00 11.20 N ATOM 0 H ASN A 55 -1.059 -14.369 5.756 1.00 23.33 H new ATOM 0 HA ASN A 55 0.380 -14.927 3.515 1.00 51.54 H new ATOM 0 HB2 ASN A 55 0.062 -17.234 4.065 1.00 1.55 H new ATOM 0 HB3 ASN A 55 -0.007 -16.362 5.583 1.00 1.55 H new ATOM 0 HD21 ASN A 55 -3.227 -18.513 4.237 1.00 11.20 H new ATOM 0 HD22 ASN A 55 -1.771 -18.298 3.260 1.00 11.20 H new ATOM 835 N ASP A 56 -2.818 -15.194 2.794 1.00 45.12 N ATOM 836 CA ASP A 56 -3.731 -15.353 1.662 1.00 33.15 C ATOM 837 C ASP A 56 -4.697 -14.175 1.571 1.00 3.11 C ATOM 838 O ASP A 56 -5.749 -14.249 0.932 1.00 72.44 O ATOM 839 CB ASP A 56 -4.501 -16.672 1.784 1.00 2.44 C ATOM 840 CG ASP A 56 -5.138 -17.089 0.474 1.00 34.43 C ATOM 841 OD1 ASP A 56 -4.389 -17.310 -0.503 1.00 54.54 O ATOM 842 OD2 ASP A 56 -6.378 -17.203 0.416 1.00 34.41 O ATOM 0 H ASP A 56 -3.269 -14.959 3.678 1.00 45.12 H new ATOM 0 HA ASP A 56 -3.141 -15.376 0.746 1.00 33.15 H new ATOM 0 HB2 ASP A 56 -3.823 -17.456 2.122 1.00 2.44 H new ATOM 0 HB3 ASP A 56 -5.274 -16.570 2.545 1.00 2.44 H new ATOM 846 N ARG A 57 -4.309 -13.065 2.168 1.00 0.24 N ATOM 847 CA ARG A 57 -5.158 -11.899 2.220 1.00 22.43 C ATOM 848 C ARG A 57 -4.265 -10.683 2.156 1.00 71.13 C ATOM 849 O ARG A 57 -4.445 -9.718 2.893 1.00 65.20 O ATOM 850 CB ARG A 57 -5.987 -11.925 3.513 1.00 2.21 C ATOM 851 CG ARG A 57 -7.123 -10.914 3.557 1.00 43.12 C ATOM 852 CD ARG A 57 -8.367 -11.526 4.179 1.00 43.13 C ATOM 853 NE ARG A 57 -8.893 -12.614 3.356 1.00 31.43 N ATOM 854 CZ ARG A 57 -9.282 -13.797 3.827 1.00 61.42 C ATOM 855 NH1 ARG A 57 -9.182 -14.077 5.122 1.00 15.20 N ATOM 856 NH2 ARG A 57 -9.757 -14.713 2.990 1.00 51.25 N ATOM 0 H ARG A 57 -3.405 -12.950 2.625 1.00 0.24 H new ATOM 0 HA ARG A 57 -5.858 -11.878 1.385 1.00 22.43 H new ATOM 0 HB2 ARG A 57 -6.402 -12.924 3.643 1.00 2.21 H new ATOM 0 HB3 ARG A 57 -5.323 -11.743 4.358 1.00 2.21 H new ATOM 0 HG2 ARG A 57 -6.816 -10.040 4.132 1.00 43.12 H new ATOM 0 HG3 ARG A 57 -7.348 -10.569 2.548 1.00 43.12 H new ATOM 0 HD2 ARG A 57 -8.131 -11.902 5.175 1.00 43.13 H new ATOM 0 HD3 ARG A 57 -9.131 -10.758 4.301 1.00 43.13 H new ATOM 0 HE ARG A 57 -8.967 -12.456 2.351 1.00 31.43 H new ATOM 0 HH11 ARG A 57 -8.804 -13.382 5.766 1.00 15.20 H new ATOM 0 HH12 ARG A 57 -9.483 -14.987 5.472 1.00 15.20 H new ATOM 0 HH21 ARG A 57 -9.822 -14.508 1.993 1.00 51.25 H new ATOM 0 HH22 ARG A 57 -10.057 -15.621 3.344 1.00 51.25 H new ATOM 867 N VAL A 58 -3.295 -10.740 1.248 1.00 22.13 N ATOM 868 CA VAL A 58 -2.270 -9.747 1.183 1.00 2.52 C ATOM 869 C VAL A 58 -2.767 -8.490 0.511 1.00 51.05 C ATOM 870 O VAL A 58 -3.535 -7.762 1.126 1.00 43.31 O ATOM 871 CB VAL A 58 -0.976 -10.267 0.509 1.00 23.33 C ATOM 872 CG1 VAL A 58 0.168 -10.198 1.486 1.00 54.21 C ATOM 873 CG2 VAL A 58 -1.141 -11.692 -0.007 1.00 0.44 C ATOM 0 H VAL A 58 -3.212 -11.478 0.548 1.00 22.13 H new ATOM 0 HA VAL A 58 -2.009 -9.503 2.213 1.00 2.52 H new ATOM 0 HB VAL A 58 -0.764 -9.630 -0.350 1.00 23.33 H new ATOM 0 HG11 VAL A 58 1.077 -10.565 1.009 1.00 54.21 H new ATOM 0 HG12 VAL A 58 0.315 -9.165 1.802 1.00 54.21 H new ATOM 0 HG13 VAL A 58 -0.059 -10.814 2.356 1.00 54.21 H new ATOM 0 HG21 VAL A 58 -0.212 -12.020 -0.473 1.00 0.44 H new ATOM 0 HG22 VAL A 58 -1.384 -12.354 0.824 1.00 0.44 H new ATOM 0 HG23 VAL A 58 -1.946 -11.722 -0.742 1.00 0.44 H new ATOM 883 N PRO A 59 -2.488 -8.304 -0.793 1.00 3.43 N ATOM 884 CA PRO A 59 -2.232 -6.996 -1.354 1.00 4.12 C ATOM 885 C PRO A 59 -2.768 -5.849 -0.502 1.00 20.12 C ATOM 886 O PRO A 59 -3.814 -5.281 -0.790 1.00 74.15 O ATOM 887 CB PRO A 59 -2.905 -7.069 -2.715 1.00 5.44 C ATOM 888 CG PRO A 59 -2.768 -8.502 -3.124 1.00 43.41 C ATOM 889 CD PRO A 59 -2.539 -9.314 -1.864 1.00 72.03 C ATOM 0 HA PRO A 59 -1.166 -6.775 -1.410 1.00 4.12 H new ATOM 0 HB2 PRO A 59 -3.952 -6.771 -2.657 1.00 5.44 H new ATOM 0 HB3 PRO A 59 -2.424 -6.404 -3.432 1.00 5.44 H new ATOM 0 HG2 PRO A 59 -3.666 -8.841 -3.641 1.00 43.41 H new ATOM 0 HG3 PRO A 59 -1.935 -8.625 -3.817 1.00 43.41 H new ATOM 0 HD2 PRO A 59 -3.344 -10.030 -1.699 1.00 72.03 H new ATOM 0 HD3 PRO A 59 -1.612 -9.884 -1.920 1.00 72.03 H new ATOM 894 N VAL A 60 -2.043 -5.555 0.575 1.00 65.30 N ATOM 895 CA VAL A 60 -2.509 -4.633 1.601 1.00 23.32 C ATOM 896 C VAL A 60 -1.704 -3.343 1.587 1.00 60.35 C ATOM 897 O VAL A 60 -0.480 -3.361 1.743 1.00 22.14 O ATOM 898 CB VAL A 60 -2.429 -5.266 3.022 1.00 43.34 C ATOM 899 CG1 VAL A 60 -3.757 -5.875 3.440 1.00 12.14 C ATOM 900 CG2 VAL A 60 -1.358 -6.338 3.076 1.00 50.22 C ATOM 0 H VAL A 60 -1.120 -5.949 0.758 1.00 65.30 H new ATOM 0 HA VAL A 60 -3.551 -4.412 1.371 1.00 23.32 H new ATOM 0 HB VAL A 60 -2.178 -4.461 3.713 1.00 43.34 H new ATOM 0 HG11 VAL A 60 -3.662 -6.307 4.436 1.00 12.14 H new ATOM 0 HG12 VAL A 60 -4.525 -5.101 3.452 1.00 12.14 H new ATOM 0 HG13 VAL A 60 -4.039 -6.655 2.732 1.00 12.14 H new ATOM 0 HG21 VAL A 60 -1.321 -6.765 4.078 1.00 50.22 H new ATOM 0 HG22 VAL A 60 -1.591 -7.122 2.356 1.00 50.22 H new ATOM 0 HG23 VAL A 60 -0.391 -5.898 2.833 1.00 50.22 H new ATOM 910 N LEU A 61 -2.392 -2.227 1.389 1.00 70.10 N ATOM 911 CA LEU A 61 -1.746 -0.923 1.427 1.00 40.42 C ATOM 912 C LEU A 61 -1.618 -0.428 2.856 1.00 62.44 C ATOM 913 O LEU A 61 -2.607 -0.051 3.486 1.00 52.22 O ATOM 914 CB LEU A 61 -2.515 0.097 0.588 1.00 3.44 C ATOM 915 CG LEU A 61 -2.387 -0.089 -0.920 1.00 63.10 C ATOM 916 CD1 LEU A 61 -3.138 1.007 -1.654 1.00 54.11 C ATOM 917 CD2 LEU A 61 -0.921 -0.098 -1.324 1.00 71.20 C ATOM 0 H LEU A 61 -3.394 -2.198 1.201 1.00 70.10 H new ATOM 0 HA LEU A 61 -0.748 -1.036 1.003 1.00 40.42 H new ATOM 0 HB2 LEU A 61 -3.570 0.047 0.858 1.00 3.44 H new ATOM 0 HB3 LEU A 61 -2.167 1.097 0.848 1.00 3.44 H new ATOM 0 HG LEU A 61 -2.828 -1.048 -1.194 1.00 63.10 H new ATOM 0 HD11 LEU A 61 -3.037 0.860 -2.729 1.00 54.11 H new ATOM 0 HD12 LEU A 61 -4.193 0.971 -1.380 1.00 54.11 H new ATOM 0 HD13 LEU A 61 -2.725 1.978 -1.380 1.00 54.11 H new ATOM 0 HD21 LEU A 61 -0.842 -0.231 -2.403 1.00 71.20 H new ATOM 0 HD22 LEU A 61 -0.460 0.848 -1.040 1.00 71.20 H new ATOM 0 HD23 LEU A 61 -0.409 -0.917 -0.819 1.00 71.20 H new ATOM 928 N PHE A 62 -0.401 -0.445 3.363 1.00 45.10 N ATOM 929 CA PHE A 62 -0.126 0.011 4.709 1.00 12.32 C ATOM 930 C PHE A 62 0.255 1.486 4.703 1.00 23.51 C ATOM 931 O PHE A 62 1.207 1.892 4.033 1.00 53.43 O ATOM 932 CB PHE A 62 0.992 -0.830 5.326 1.00 64.25 C ATOM 933 CG PHE A 62 1.429 -0.356 6.681 1.00 12.40 C ATOM 934 CD1 PHE A 62 0.623 -0.543 7.790 1.00 62.44 C ATOM 935 CD2 PHE A 62 2.643 0.288 6.840 1.00 15.05 C ATOM 936 CE1 PHE A 62 1.021 -0.096 9.032 1.00 62.12 C ATOM 937 CE2 PHE A 62 3.046 0.740 8.079 1.00 3.15 C ATOM 938 CZ PHE A 62 2.234 0.548 9.177 1.00 23.41 C ATOM 0 H PHE A 62 0.421 -0.774 2.856 1.00 45.10 H new ATOM 0 HA PHE A 62 -1.026 -0.106 5.312 1.00 12.32 H new ATOM 0 HB2 PHE A 62 0.655 -1.864 5.404 1.00 64.25 H new ATOM 0 HB3 PHE A 62 1.851 -0.824 4.655 1.00 64.25 H new ATOM 0 HD1 PHE A 62 -0.328 -1.044 7.682 1.00 62.44 H new ATOM 0 HD2 PHE A 62 3.283 0.439 5.983 1.00 15.05 H new ATOM 0 HE1 PHE A 62 0.385 -0.249 9.891 1.00 62.12 H new ATOM 0 HE2 PHE A 62 3.995 1.243 8.189 1.00 3.15 H new ATOM 0 HZ PHE A 62 2.546 0.901 10.149 1.00 23.41 H new ATOM 947 N ALA A 63 -0.497 2.276 5.450 1.00 51.23 N ATOM 948 CA ALA A 63 -0.262 3.706 5.526 1.00 14.53 C ATOM 949 C ALA A 63 0.850 4.031 6.521 1.00 43.45 C ATOM 950 O ALA A 63 0.628 4.020 7.739 1.00 43.55 O ATOM 951 CB ALA A 63 -1.543 4.423 5.910 1.00 61.42 C ATOM 0 H ALA A 63 -1.280 1.948 6.015 1.00 51.23 H new ATOM 0 HA ALA A 63 0.059 4.052 4.543 1.00 14.53 H new ATOM 0 HB1 ALA A 63 -1.357 5.496 5.965 1.00 61.42 H new ATOM 0 HB2 ALA A 63 -2.309 4.225 5.161 1.00 61.42 H new ATOM 0 HB3 ALA A 63 -1.884 4.064 6.881 1.00 61.42 H new ATOM 957 N VAL A 64 2.040 4.321 6.008 1.00 2.23 N ATOM 958 CA VAL A 64 3.175 4.656 6.858 1.00 15.44 C ATOM 959 C VAL A 64 3.100 6.115 7.283 1.00 41.13 C ATOM 960 O VAL A 64 3.641 7.003 6.622 1.00 15.03 O ATOM 961 CB VAL A 64 4.527 4.393 6.157 1.00 54.03 C ATOM 962 CG1 VAL A 64 5.691 4.604 7.114 1.00 53.31 C ATOM 963 CG2 VAL A 64 4.563 2.993 5.577 1.00 22.13 C ATOM 0 H VAL A 64 2.243 4.331 5.009 1.00 2.23 H new ATOM 0 HA VAL A 64 3.121 4.010 7.734 1.00 15.44 H new ATOM 0 HB VAL A 64 4.627 5.109 5.342 1.00 54.03 H new ATOM 0 HG11 VAL A 64 6.629 4.412 6.594 1.00 53.31 H new ATOM 0 HG12 VAL A 64 5.681 5.632 7.478 1.00 53.31 H new ATOM 0 HG13 VAL A 64 5.597 3.920 7.957 1.00 53.31 H new ATOM 0 HG21 VAL A 64 5.523 2.827 5.088 1.00 22.13 H new ATOM 0 HG22 VAL A 64 4.432 2.264 6.377 1.00 22.13 H new ATOM 0 HG23 VAL A 64 3.760 2.880 4.849 1.00 22.13 H new ATOM 973 N ASN A 65 2.390 6.338 8.380 1.00 44.50 N ATOM 974 CA ASN A 65 2.187 7.666 8.950 1.00 73.51 C ATOM 975 C ASN A 65 1.178 7.550 10.075 1.00 12.53 C ATOM 976 O ASN A 65 1.416 7.983 11.201 1.00 2.12 O ATOM 977 CB ASN A 65 1.668 8.663 7.904 1.00 24.23 C ATOM 978 CG ASN A 65 1.608 10.083 8.432 1.00 33.02 C ATOM 979 OD1 ASN A 65 0.612 10.497 9.025 1.00 75.12 O ATOM 980 ND2 ASN A 65 2.667 10.843 8.205 1.00 63.31 N ATOM 0 H ASN A 65 1.933 5.594 8.907 1.00 44.50 H new ATOM 0 HA ASN A 65 3.144 8.039 9.315 1.00 73.51 H new ATOM 0 HB2 ASN A 65 2.314 8.633 7.026 1.00 24.23 H new ATOM 0 HB3 ASN A 65 0.673 8.358 7.579 1.00 24.23 H new ATOM 0 HD21 ASN A 65 2.678 11.811 8.526 1.00 63.31 H new ATOM 0 HD22 ASN A 65 3.472 10.461 7.710 1.00 63.31 H new ATOM 986 N GLU A 66 0.055 6.926 9.754 1.00 50.54 N ATOM 987 CA GLU A 66 -1.006 6.710 10.721 1.00 75.13 C ATOM 988 C GLU A 66 -0.925 5.288 11.271 1.00 11.42 C ATOM 989 O GLU A 66 -1.475 4.988 12.331 1.00 74.03 O ATOM 990 CB GLU A 66 -2.363 6.936 10.056 1.00 52.04 C ATOM 991 CG GLU A 66 -3.508 7.083 11.038 1.00 42.32 C ATOM 992 CD GLU A 66 -4.856 7.106 10.351 1.00 51.21 C ATOM 993 OE1 GLU A 66 -5.054 7.946 9.452 1.00 70.05 O ATOM 994 OE2 GLU A 66 -5.713 6.265 10.694 1.00 1.23 O ATOM 0 H GLU A 66 -0.144 6.558 8.824 1.00 50.54 H new ATOM 0 HA GLU A 66 -0.890 7.415 11.544 1.00 75.13 H new ATOM 0 HB2 GLU A 66 -2.310 7.832 9.438 1.00 52.04 H new ATOM 0 HB3 GLU A 66 -2.574 6.100 9.389 1.00 52.04 H new ATOM 0 HG2 GLU A 66 -3.480 6.259 11.751 1.00 42.32 H new ATOM 0 HG3 GLU A 66 -3.378 8.002 11.609 1.00 42.32 H new ATOM 999 N ASP A 67 -0.231 4.428 10.520 1.00 35.11 N ATOM 1000 CA ASP A 67 -0.044 3.021 10.877 1.00 45.33 C ATOM 1001 C ASP A 67 -1.363 2.260 10.811 1.00 21.44 C ATOM 1002 O ASP A 67 -2.009 2.036 11.835 1.00 11.11 O ATOM 1003 CB ASP A 67 0.581 2.870 12.268 1.00 72.12 C ATOM 1004 CG ASP A 67 1.038 1.453 12.551 1.00 21.33 C ATOM 1005 OD1 ASP A 67 2.183 1.117 12.189 1.00 15.32 O ATOM 1006 OD2 ASP A 67 0.265 0.669 13.144 1.00 21.35 O ATOM 0 H ASP A 67 0.219 4.691 9.643 1.00 35.11 H new ATOM 0 HA ASP A 67 0.644 2.594 10.148 1.00 45.33 H new ATOM 0 HB2 ASP A 67 1.431 3.546 12.356 1.00 72.12 H new ATOM 0 HB3 ASP A 67 -0.145 3.171 13.023 1.00 72.12 H new ATOM 1010 N LYS A 68 -1.776 1.912 9.596 1.00 61.02 N ATOM 1011 CA LYS A 68 -2.963 1.085 9.386 1.00 71.11 C ATOM 1012 C LYS A 68 -3.135 0.767 7.906 1.00 33.31 C ATOM 1013 O LYS A 68 -2.725 1.546 7.045 1.00 50.35 O ATOM 1014 CB LYS A 68 -4.227 1.758 9.955 1.00 21.33 C ATOM 1015 CG LYS A 68 -4.598 3.101 9.338 1.00 24.50 C ATOM 1016 CD LYS A 68 -5.589 2.938 8.195 1.00 73.53 C ATOM 1017 CE LYS A 68 -6.282 4.247 7.858 1.00 15.31 C ATOM 1018 NZ LYS A 68 -7.071 4.774 9.003 1.00 52.51 N ATOM 0 H LYS A 68 -1.304 2.191 8.736 1.00 61.02 H new ATOM 0 HA LYS A 68 -2.820 0.149 9.927 1.00 71.11 H new ATOM 0 HB2 LYS A 68 -5.068 1.076 9.827 1.00 21.33 H new ATOM 0 HB3 LYS A 68 -4.090 1.898 11.027 1.00 21.33 H new ATOM 0 HG2 LYS A 68 -5.028 3.747 10.103 1.00 24.50 H new ATOM 0 HG3 LYS A 68 -3.698 3.595 8.972 1.00 24.50 H new ATOM 0 HD2 LYS A 68 -5.068 2.565 7.313 1.00 73.53 H new ATOM 0 HD3 LYS A 68 -6.335 2.191 8.465 1.00 73.53 H new ATOM 0 HE2 LYS A 68 -5.537 4.985 7.562 1.00 15.31 H new ATOM 0 HE3 LYS A 68 -6.941 4.098 7.003 1.00 15.31 H new ATOM 0 HZ1 LYS A 68 -7.823 5.399 8.648 1.00 52.51 H new ATOM 0 HZ2 LYS A 68 -7.497 3.982 9.525 1.00 52.51 H new ATOM 0 HZ3 LYS A 68 -6.446 5.310 9.638 1.00 52.51 H new ATOM 1028 N GLU A 69 -3.707 -0.392 7.626 1.00 13.40 N ATOM 1029 CA GLU A 69 -3.941 -0.830 6.257 1.00 73.13 C ATOM 1030 C GLU A 69 -5.211 -0.190 5.703 1.00 54.03 C ATOM 1031 O GLU A 69 -6.208 -0.053 6.416 1.00 22.20 O ATOM 1032 CB GLU A 69 -4.056 -2.360 6.189 1.00 12.43 C ATOM 1033 CG GLU A 69 -2.893 -3.112 6.831 1.00 62.50 C ATOM 1034 CD GLU A 69 -3.070 -3.328 8.328 1.00 42.31 C ATOM 1035 OE1 GLU A 69 -2.701 -2.433 9.118 1.00 45.22 O ATOM 1036 OE2 GLU A 69 -3.578 -4.399 8.722 1.00 41.13 O ATOM 0 H GLU A 69 -4.021 -1.054 8.336 1.00 13.40 H new ATOM 0 HA GLU A 69 -3.092 -0.516 5.651 1.00 73.13 H new ATOM 0 HB2 GLU A 69 -4.982 -2.664 6.677 1.00 12.43 H new ATOM 0 HB3 GLU A 69 -4.133 -2.660 5.144 1.00 12.43 H new ATOM 0 HG2 GLU A 69 -2.781 -4.080 6.342 1.00 62.50 H new ATOM 0 HG3 GLU A 69 -1.971 -2.558 6.657 1.00 62.50 H new ATOM 1041 N LEU A 70 -5.170 0.213 4.439 1.00 24.25 N ATOM 1042 CA LEU A 70 -6.319 0.843 3.798 1.00 10.24 C ATOM 1043 C LEU A 70 -7.191 -0.198 3.103 1.00 23.53 C ATOM 1044 O LEU A 70 -8.190 -0.658 3.654 1.00 42.02 O ATOM 1045 CB LEU A 70 -5.867 1.894 2.777 1.00 75.32 C ATOM 1046 CG LEU A 70 -4.847 2.913 3.279 1.00 1.02 C ATOM 1047 CD1 LEU A 70 -4.452 3.841 2.149 1.00 3.45 C ATOM 1048 CD2 LEU A 70 -5.398 3.707 4.455 1.00 10.10 C ATOM 0 H LEU A 70 -4.353 0.115 3.836 1.00 24.25 H new ATOM 0 HA LEU A 70 -6.903 1.333 4.577 1.00 10.24 H new ATOM 0 HB2 LEU A 70 -5.443 1.378 1.916 1.00 75.32 H new ATOM 0 HB3 LEU A 70 -6.747 2.432 2.424 1.00 75.32 H new ATOM 0 HG LEU A 70 -3.964 2.377 3.626 1.00 1.02 H new ATOM 0 HD11 LEU A 70 -3.724 4.567 2.512 1.00 3.45 H new ATOM 0 HD12 LEU A 70 -4.012 3.260 1.338 1.00 3.45 H new ATOM 0 HD13 LEU A 70 -5.335 4.365 1.783 1.00 3.45 H new ATOM 0 HD21 LEU A 70 -4.650 4.425 4.792 1.00 10.10 H new ATOM 0 HD22 LEU A 70 -6.298 4.239 4.145 1.00 10.10 H new ATOM 0 HD23 LEU A 70 -5.641 3.027 5.271 1.00 10.10 H new ATOM 1059 N CYS A 71 -6.791 -0.585 1.902 1.00 21.34 N ATOM 1060 CA CYS A 71 -7.545 -1.551 1.117 1.00 12.44 C ATOM 1061 C CYS A 71 -6.659 -2.737 0.768 1.00 4.32 C ATOM 1062 O CYS A 71 -5.438 -2.661 0.911 1.00 11.55 O ATOM 1063 CB CYS A 71 -8.097 -0.891 -0.150 1.00 43.34 C ATOM 1064 SG CYS A 71 -6.855 -0.036 -1.148 1.00 1.15 S ATOM 0 H CYS A 71 -5.944 -0.243 1.447 1.00 21.34 H new ATOM 0 HA CYS A 71 -8.389 -1.910 1.707 1.00 12.44 H new ATOM 0 HB2 CYS A 71 -8.576 -1.654 -0.763 1.00 43.34 H new ATOM 0 HB3 CYS A 71 -8.871 -0.178 0.134 1.00 43.34 H new ATOM 0 HG CYS A 71 -5.683 -0.548 -0.915 1.00 1.15 H new ATOM 1069 N HIS A 72 -7.268 -3.836 0.337 1.00 53.44 N ATOM 1070 CA HIS A 72 -6.511 -5.045 0.047 1.00 10.42 C ATOM 1071 C HIS A 72 -7.086 -5.824 -1.140 1.00 15.12 C ATOM 1072 O HIS A 72 -8.195 -5.543 -1.599 1.00 53.54 O ATOM 1073 CB HIS A 72 -6.423 -5.936 1.296 1.00 52.52 C ATOM 1074 CG HIS A 72 -7.745 -6.342 1.878 1.00 44.12 C ATOM 1075 ND1 HIS A 72 -8.549 -5.491 2.607 1.00 54.41 N ATOM 1076 CD2 HIS A 72 -8.398 -7.524 1.841 1.00 21.20 C ATOM 1077 CE1 HIS A 72 -9.634 -6.135 2.991 1.00 4.35 C ATOM 1078 NE2 HIS A 72 -9.568 -7.372 2.539 1.00 23.31 N ATOM 0 H HIS A 72 -8.273 -3.914 0.182 1.00 53.44 H new ATOM 0 HA HIS A 72 -5.505 -4.736 -0.237 1.00 10.42 H new ATOM 0 HB2 HIS A 72 -5.862 -6.836 1.043 1.00 52.52 H new ATOM 0 HB3 HIS A 72 -5.853 -5.409 2.061 1.00 52.52 H new ATOM 0 HD2 HIS A 72 -8.060 -8.425 1.351 1.00 21.20 H new ATOM 0 HE1 HIS A 72 -10.440 -5.719 3.577 1.00 4.35 H new ATOM 0 HE2 HIS A 72 -10.271 -8.096 2.685 1.00 23.31 H new ATOM 1085 N TYR A 73 -6.300 -6.798 -1.611 1.00 72.35 N ATOM 1086 CA TYR A 73 -6.642 -7.657 -2.754 1.00 1.34 C ATOM 1087 C TYR A 73 -6.505 -6.925 -4.089 1.00 2.24 C ATOM 1088 O TYR A 73 -5.484 -7.049 -4.761 1.00 11.23 O ATOM 1089 CB TYR A 73 -8.039 -8.280 -2.628 1.00 11.00 C ATOM 1090 CG TYR A 73 -8.081 -9.518 -1.759 1.00 72.32 C ATOM 1091 CD1 TYR A 73 -7.383 -10.666 -2.116 1.00 14.51 C ATOM 1092 CD2 TYR A 73 -8.820 -9.544 -0.587 1.00 44.23 C ATOM 1093 CE1 TYR A 73 -7.416 -11.798 -1.327 1.00 1.22 C ATOM 1094 CE2 TYR A 73 -8.859 -10.674 0.210 1.00 54.35 C ATOM 1095 CZ TYR A 73 -8.158 -11.797 -0.166 1.00 32.20 C ATOM 1096 OH TYR A 73 -8.195 -12.923 0.625 1.00 33.20 O ATOM 0 H TYR A 73 -5.391 -7.017 -1.202 1.00 72.35 H new ATOM 0 HA TYR A 73 -5.915 -8.469 -2.737 1.00 1.34 H new ATOM 0 HB2 TYR A 73 -8.722 -7.536 -2.218 1.00 11.00 H new ATOM 0 HB3 TYR A 73 -8.404 -8.534 -3.623 1.00 11.00 H new ATOM 0 HD1 TYR A 73 -6.804 -10.672 -3.028 1.00 14.51 H new ATOM 0 HD2 TYR A 73 -9.375 -8.666 -0.291 1.00 44.23 H new ATOM 0 HE1 TYR A 73 -6.864 -12.679 -1.618 1.00 1.22 H new ATOM 0 HE2 TYR A 73 -9.437 -10.675 1.123 1.00 54.35 H new ATOM 0 HH TYR A 73 -7.303 -13.327 0.660 1.00 33.20 H new ATOM 1105 N PHE A 74 -7.516 -6.164 -4.472 1.00 20.34 N ATOM 1106 CA PHE A 74 -7.496 -5.495 -5.762 1.00 13.14 C ATOM 1107 C PHE A 74 -7.083 -4.044 -5.602 1.00 13.12 C ATOM 1108 O PHE A 74 -5.928 -3.701 -5.849 1.00 13.42 O ATOM 1109 CB PHE A 74 -8.857 -5.593 -6.454 1.00 75.14 C ATOM 1110 CG PHE A 74 -9.044 -6.854 -7.246 1.00 75.12 C ATOM 1111 CD1 PHE A 74 -8.677 -6.904 -8.579 1.00 72.11 C ATOM 1112 CD2 PHE A 74 -9.594 -7.983 -6.663 1.00 31.44 C ATOM 1113 CE1 PHE A 74 -8.852 -8.057 -9.319 1.00 51.23 C ATOM 1114 CE2 PHE A 74 -9.771 -9.140 -7.395 1.00 5.11 C ATOM 1115 CZ PHE A 74 -9.400 -9.177 -8.726 1.00 31.24 C ATOM 0 H PHE A 74 -8.353 -5.995 -3.915 1.00 20.34 H new ATOM 0 HA PHE A 74 -6.762 -5.998 -6.391 1.00 13.14 H new ATOM 0 HB2 PHE A 74 -9.643 -5.528 -5.701 1.00 75.14 H new ATOM 0 HB3 PHE A 74 -8.979 -4.737 -7.117 1.00 75.14 H new ATOM 0 HD1 PHE A 74 -8.248 -6.030 -9.047 1.00 72.11 H new ATOM 0 HD2 PHE A 74 -9.888 -7.958 -5.624 1.00 31.44 H new ATOM 0 HE1 PHE A 74 -8.561 -8.082 -10.359 1.00 51.23 H new ATOM 0 HE2 PHE A 74 -10.199 -10.015 -6.928 1.00 5.11 H new ATOM 0 HZ PHE A 74 -9.539 -10.081 -9.301 1.00 31.24 H new ATOM 1124 N LEU A 75 -8.031 -3.210 -5.185 1.00 54.35 N ATOM 1125 CA LEU A 75 -7.774 -1.797 -4.920 1.00 35.00 C ATOM 1126 C LEU A 75 -9.089 -1.074 -4.672 1.00 12.44 C ATOM 1127 O LEU A 75 -10.116 -1.439 -5.238 1.00 42.24 O ATOM 1128 CB LEU A 75 -7.055 -1.124 -6.097 1.00 3.51 C ATOM 1129 CG LEU A 75 -6.470 0.258 -5.790 1.00 23.21 C ATOM 1130 CD1 LEU A 75 -5.427 0.151 -4.694 1.00 10.30 C ATOM 1131 CD2 LEU A 75 -5.855 0.859 -7.039 1.00 31.35 C ATOM 0 H LEU A 75 -8.997 -3.493 -5.021 1.00 54.35 H new ATOM 0 HA LEU A 75 -7.133 -1.737 -4.040 1.00 35.00 H new ATOM 0 HB2 LEU A 75 -6.250 -1.777 -6.433 1.00 3.51 H new ATOM 0 HB3 LEU A 75 -7.756 -1.030 -6.926 1.00 3.51 H new ATOM 0 HG LEU A 75 -7.274 0.910 -5.449 1.00 23.21 H new ATOM 0 HD11 LEU A 75 -5.018 1.139 -4.484 1.00 10.30 H new ATOM 0 HD12 LEU A 75 -5.888 -0.251 -3.791 1.00 10.30 H new ATOM 0 HD13 LEU A 75 -4.625 -0.512 -5.018 1.00 10.30 H new ATOM 0 HD21 LEU A 75 -5.443 1.841 -6.806 1.00 31.35 H new ATOM 0 HD22 LEU A 75 -5.059 0.209 -7.402 1.00 31.35 H new ATOM 0 HD23 LEU A 75 -6.620 0.960 -7.809 1.00 31.35 H new ATOM 1142 N ASP A 76 -9.051 -0.071 -3.813 1.00 42.04 N ATOM 1143 CA ASP A 76 -10.187 0.823 -3.637 1.00 52.41 C ATOM 1144 C ASP A 76 -9.727 2.248 -3.885 1.00 24.14 C ATOM 1145 O ASP A 76 -8.895 2.777 -3.145 1.00 22.33 O ATOM 1146 CB ASP A 76 -10.795 0.703 -2.238 1.00 71.31 C ATOM 1147 CG ASP A 76 -12.082 1.497 -2.110 1.00 1.31 C ATOM 1148 OD1 ASP A 76 -12.019 2.740 -2.075 1.00 22.12 O ATOM 1149 OD2 ASP A 76 -13.166 0.883 -2.081 1.00 45.14 O ATOM 0 H ASP A 76 -8.246 0.147 -3.225 1.00 42.04 H new ATOM 0 HA ASP A 76 -10.963 0.544 -4.350 1.00 52.41 H new ATOM 0 HB2 ASP A 76 -10.992 -0.346 -2.017 1.00 71.31 H new ATOM 0 HB3 ASP A 76 -10.076 1.055 -1.498 1.00 71.31 H new ATOM 1153 N SER A 77 -10.266 2.858 -4.929 1.00 74.22 N ATOM 1154 CA SER A 77 -9.813 4.165 -5.380 1.00 11.32 C ATOM 1155 C SER A 77 -10.434 5.305 -4.575 1.00 61.43 C ATOM 1156 O SER A 77 -10.105 6.474 -4.786 1.00 32.44 O ATOM 1157 CB SER A 77 -10.131 4.327 -6.870 1.00 4.04 C ATOM 1158 OG SER A 77 -11.347 3.674 -7.205 1.00 33.01 O ATOM 0 H SER A 77 -11.025 2.464 -5.485 1.00 74.22 H new ATOM 0 HA SER A 77 -8.736 4.219 -5.222 1.00 11.32 H new ATOM 0 HB2 SER A 77 -10.203 5.386 -7.117 1.00 4.04 H new ATOM 0 HB3 SER A 77 -9.317 3.915 -7.466 1.00 4.04 H new ATOM 0 HG SER A 77 -11.530 3.793 -8.160 1.00 33.01 H new ATOM 1163 N ASP A 78 -11.313 4.976 -3.643 1.00 2.51 N ATOM 1164 CA ASP A 78 -12.008 5.997 -2.878 1.00 25.21 C ATOM 1165 C ASP A 78 -11.489 6.059 -1.450 1.00 72.21 C ATOM 1166 O ASP A 78 -11.336 7.141 -0.885 1.00 43.32 O ATOM 1167 CB ASP A 78 -13.514 5.744 -2.888 1.00 14.31 C ATOM 1168 CG ASP A 78 -14.110 5.881 -4.274 1.00 51.21 C ATOM 1169 OD1 ASP A 78 -14.249 7.026 -4.758 1.00 42.45 O ATOM 1170 OD2 ASP A 78 -14.442 4.848 -4.890 1.00 20.12 O ATOM 0 H ASP A 78 -11.561 4.017 -3.399 1.00 2.51 H new ATOM 0 HA ASP A 78 -11.814 6.960 -3.350 1.00 25.21 H new ATOM 0 HB2 ASP A 78 -13.715 4.743 -2.506 1.00 14.31 H new ATOM 0 HB3 ASP A 78 -14.003 6.447 -2.213 1.00 14.31 H new ATOM 1174 N VAL A 79 -11.212 4.900 -0.868 1.00 33.53 N ATOM 1175 CA VAL A 79 -10.633 4.836 0.472 1.00 2.40 C ATOM 1176 C VAL A 79 -9.258 5.491 0.496 1.00 11.20 C ATOM 1177 O VAL A 79 -8.957 6.285 1.387 1.00 44.21 O ATOM 1178 CB VAL A 79 -10.545 3.384 0.987 1.00 60.50 C ATOM 1179 CG1 VAL A 79 -9.689 3.289 2.244 1.00 13.44 C ATOM 1180 CG2 VAL A 79 -11.943 2.865 1.265 1.00 25.43 C ATOM 0 H VAL A 79 -11.378 3.991 -1.300 1.00 33.53 H new ATOM 0 HA VAL A 79 -11.296 5.386 1.140 1.00 2.40 H new ATOM 0 HB VAL A 79 -10.070 2.773 0.219 1.00 60.50 H new ATOM 0 HG11 VAL A 79 -9.649 2.253 2.579 1.00 13.44 H new ATOM 0 HG12 VAL A 79 -8.680 3.639 2.025 1.00 13.44 H new ATOM 0 HG13 VAL A 79 -10.125 3.907 3.029 1.00 13.44 H new ATOM 0 HG21 VAL A 79 -11.885 1.839 1.629 1.00 25.43 H new ATOM 0 HG22 VAL A 79 -12.420 3.491 2.019 1.00 25.43 H new ATOM 0 HG23 VAL A 79 -12.530 2.891 0.347 1.00 25.43 H new ATOM 1190 N ILE A 80 -8.435 5.186 -0.499 1.00 12.24 N ATOM 1191 CA ILE A 80 -7.130 5.823 -0.601 1.00 51.30 C ATOM 1192 C ILE A 80 -7.294 7.305 -0.938 1.00 24.33 C ATOM 1193 O ILE A 80 -6.503 8.139 -0.507 1.00 4.44 O ATOM 1194 CB ILE A 80 -6.219 5.137 -1.650 1.00 54.22 C ATOM 1195 CG1 ILE A 80 -4.856 5.818 -1.706 1.00 2.42 C ATOM 1196 CG2 ILE A 80 -6.848 5.165 -3.021 1.00 2.00 C ATOM 1197 CD1 ILE A 80 -4.119 5.779 -0.400 1.00 22.43 C ATOM 0 H ILE A 80 -8.644 4.512 -1.236 1.00 12.24 H new ATOM 0 HA ILE A 80 -6.643 5.719 0.368 1.00 51.30 H new ATOM 0 HB ILE A 80 -6.092 4.099 -1.343 1.00 54.22 H new ATOM 0 HG12 ILE A 80 -4.248 5.337 -2.473 1.00 2.42 H new ATOM 0 HG13 ILE A 80 -4.989 6.856 -2.010 1.00 2.42 H new ATOM 0 HG21 ILE A 80 -6.185 4.676 -3.735 1.00 2.00 H new ATOM 0 HG22 ILE A 80 -7.803 4.640 -2.994 1.00 2.00 H new ATOM 0 HG23 ILE A 80 -7.011 6.199 -3.326 1.00 2.00 H new ATOM 0 HD11 ILE A 80 -3.158 6.281 -0.510 1.00 22.43 H new ATOM 0 HD12 ILE A 80 -4.707 6.285 0.365 1.00 22.43 H new ATOM 0 HD13 ILE A 80 -3.956 4.742 -0.105 1.00 22.43 H new ATOM 1208 N GLY A 81 -8.347 7.628 -1.680 1.00 4.31 N ATOM 1209 CA GLY A 81 -8.619 9.014 -2.015 1.00 62.44 C ATOM 1210 C GLY A 81 -9.000 9.822 -0.791 1.00 31.31 C ATOM 1211 O GLY A 81 -8.666 11.000 -0.683 1.00 14.24 O ATOM 0 H GLY A 81 -9.017 6.956 -2.055 1.00 4.31 H new ATOM 0 HA2 GLY A 81 -7.739 9.455 -2.483 1.00 62.44 H new ATOM 0 HA3 GLY A 81 -9.425 9.060 -2.747 1.00 62.44 H new ATOM 1215 N ALA A 82 -9.696 9.173 0.132 1.00 53.32 N ATOM 1216 CA ALA A 82 -10.092 9.796 1.385 1.00 31.33 C ATOM 1217 C ALA A 82 -8.879 10.001 2.286 1.00 52.23 C ATOM 1218 O ALA A 82 -8.774 11.008 2.990 1.00 62.23 O ATOM 1219 CB ALA A 82 -11.135 8.939 2.091 1.00 12.55 C ATOM 0 H ALA A 82 -10.000 8.204 0.033 1.00 53.32 H new ATOM 0 HA ALA A 82 -10.528 10.771 1.166 1.00 31.33 H new ATOM 0 HB1 ALA A 82 -11.424 9.415 3.028 1.00 12.55 H new ATOM 0 HB2 ALA A 82 -12.012 8.833 1.452 1.00 12.55 H new ATOM 0 HB3 ALA A 82 -10.717 7.954 2.299 1.00 12.55 H new ATOM 1225 N TYR A 83 -7.961 9.046 2.247 1.00 21.35 N ATOM 1226 CA TYR A 83 -6.779 9.088 3.093 1.00 45.12 C ATOM 1227 C TYR A 83 -5.695 9.992 2.510 1.00 52.34 C ATOM 1228 O TYR A 83 -5.133 10.827 3.212 1.00 63.20 O ATOM 1229 CB TYR A 83 -6.221 7.676 3.293 1.00 11.24 C ATOM 1230 CG TYR A 83 -4.890 7.663 4.007 1.00 15.22 C ATOM 1231 CD1 TYR A 83 -4.811 7.933 5.367 1.00 41.20 C ATOM 1232 CD2 TYR A 83 -3.711 7.407 3.319 1.00 4.10 C ATOM 1233 CE1 TYR A 83 -3.595 7.949 6.018 1.00 5.24 C ATOM 1234 CE2 TYR A 83 -2.491 7.425 3.964 1.00 23.25 C ATOM 1235 CZ TYR A 83 -2.440 7.694 5.314 1.00 54.20 C ATOM 1236 OH TYR A 83 -1.228 7.728 5.961 1.00 3.34 O ATOM 0 H TYR A 83 -8.013 8.231 1.636 1.00 21.35 H new ATOM 0 HA TYR A 83 -7.081 9.503 4.055 1.00 45.12 H new ATOM 0 HB2 TYR A 83 -6.938 7.085 3.863 1.00 11.24 H new ATOM 0 HB3 TYR A 83 -6.111 7.194 2.322 1.00 11.24 H new ATOM 0 HD1 TYR A 83 -5.715 8.133 5.923 1.00 41.20 H new ATOM 0 HD2 TYR A 83 -3.750 7.190 2.262 1.00 4.10 H new ATOM 0 HE1 TYR A 83 -3.549 8.161 7.076 1.00 5.24 H new ATOM 0 HE2 TYR A 83 -1.582 7.229 3.414 1.00 23.25 H new ATOM 0 HH TYR A 83 -0.511 7.525 5.324 1.00 3.34 H new ATOM 1245 N LEU A 84 -5.416 9.831 1.224 1.00 43.34 N ATOM 1246 CA LEU A 84 -4.290 10.506 0.583 1.00 2.51 C ATOM 1247 C LEU A 84 -4.608 11.965 0.250 1.00 14.04 C ATOM 1248 O LEU A 84 -3.875 12.615 -0.495 1.00 21.10 O ATOM 1249 CB LEU A 84 -3.885 9.747 -0.689 1.00 71.21 C ATOM 1250 CG LEU A 84 -2.436 9.234 -0.721 1.00 4.41 C ATOM 1251 CD1 LEU A 84 -1.457 10.381 -0.904 1.00 35.23 C ATOM 1252 CD2 LEU A 84 -2.099 8.473 0.553 1.00 3.13 C ATOM 0 H LEU A 84 -5.957 9.235 0.598 1.00 43.34 H new ATOM 0 HA LEU A 84 -3.459 10.509 1.289 1.00 2.51 H new ATOM 0 HB2 LEU A 84 -4.556 8.897 -0.813 1.00 71.21 H new ATOM 0 HB3 LEU A 84 -4.039 10.402 -1.546 1.00 71.21 H new ATOM 0 HG LEU A 84 -2.348 8.556 -1.570 1.00 4.41 H new ATOM 0 HD11 LEU A 84 -0.439 9.991 -0.923 1.00 35.23 H new ATOM 0 HD12 LEU A 84 -1.667 10.893 -1.843 1.00 35.23 H new ATOM 0 HD13 LEU A 84 -1.561 11.083 -0.077 1.00 35.23 H new ATOM 0 HD21 LEU A 84 -1.069 8.121 0.505 1.00 3.13 H new ATOM 0 HD22 LEU A 84 -2.217 9.132 1.413 1.00 3.13 H new ATOM 0 HD23 LEU A 84 -2.770 7.620 0.655 1.00 3.13 H new ATOM 1263 N SER A 85 -5.686 12.480 0.806 1.00 44.11 N ATOM 1264 CA SER A 85 -6.047 13.874 0.623 1.00 2.43 C ATOM 1265 C SER A 85 -6.141 14.564 1.978 1.00 33.15 C ATOM 1266 O SER A 85 -5.939 13.934 3.013 1.00 0.00 O ATOM 1267 CB SER A 85 -7.372 13.992 -0.129 1.00 65.14 C ATOM 1268 OG SER A 85 -7.343 13.246 -1.335 1.00 4.33 O ATOM 0 H SER A 85 -6.332 11.951 1.392 1.00 44.11 H new ATOM 0 HA SER A 85 -5.275 14.362 0.029 1.00 2.43 H new ATOM 0 HB2 SER A 85 -8.185 13.636 0.503 1.00 65.14 H new ATOM 0 HB3 SER A 85 -7.576 15.040 -0.351 1.00 65.14 H new ATOM 0 HG SER A 85 -7.860 12.421 -1.222 1.00 4.33 H new TER 1273 SER A 85