USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -177:sc= 2.09 (180deg=1.01) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.58 K(o=4.7,f=-5.9!) USER MOD Set 2.1: A 77 SER OG : rot 145:sc= 1.22 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.376 X(o=1.6,f=1.2) USER MOD Set 3.1: A 55 SER OG : rot 24:sc= 0.188 USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.789 K(o=0.79,f=-0.069) USER MOD Single : A 64 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -114:sc= 1.26 (180deg=-0.939) USER MOD Single : A 66 GLN : amide:sc= 0.909 K(o=0.91,f=-5.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 71 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.8!) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -4.72! C(o=-5.9!,f=-4.7!) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.0226 USER MOD Single : A 83 MET CE :methyl -149:sc= 0 (180deg=-0.0882) USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 0.945 (180deg=0.941) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 99:sc= 0.0679 USER MOD Single : A 103 HIS : +bothHN:sc= 1.3 K(o=1.3,f=-9!) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -6.18! C(o=-8.4!,f=-6.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -170:sc= -0.244 USER MOD Single : A 120 SER OG : rot 69:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.039 7.632 2.338 1.00 0.00 N ATOM 2 CA SER A 55 -12.768 6.977 1.058 1.00 0.00 C ATOM 3 C SER A 55 -12.950 5.496 1.182 1.00 0.00 C ATOM 4 O SER A 55 -13.412 4.993 2.205 1.00 0.00 O ATOM 5 CB SER A 55 -11.323 7.256 0.605 1.00 0.00 C ATOM 6 OG SER A 55 -11.186 7.004 -0.789 1.00 0.00 O ATOM 0 HA SER A 55 -13.467 7.376 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.060 8.291 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.631 6.627 1.165 1.00 0.00 H new ATOM 0 HG SER A 55 -12.061 7.083 -1.223 1.00 0.00 H new ATOM 14 N ASN A 56 -12.583 4.770 0.113 1.00 0.00 N ATOM 15 CA ASN A 56 -12.659 3.340 0.122 1.00 0.00 C ATOM 16 C ASN A 56 -11.611 2.859 -0.836 1.00 0.00 C ATOM 17 O ASN A 56 -11.617 1.710 -1.282 1.00 0.00 O ATOM 18 CB ASN A 56 -14.049 2.851 -0.306 1.00 0.00 C ATOM 19 CG ASN A 56 -14.345 1.528 0.391 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.191 1.455 1.283 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.692 0.436 -0.078 1.00 0.00 N ATOM 0 H ASN A 56 -12.234 5.170 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.492 2.950 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.805 3.591 -0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.087 2.724 -1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.896 -0.485 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.997 0.536 -0.818 1.00 0.00 H new ATOM 28 N THR A 57 -10.643 3.748 -1.135 1.00 0.00 N ATOM 29 CA THR A 57 -9.627 3.437 -2.096 1.00 0.00 C ATOM 30 C THR A 57 -8.353 4.041 -1.591 1.00 0.00 C ATOM 31 O THR A 57 -8.370 4.922 -0.729 1.00 0.00 O ATOM 32 CB THR A 57 -9.935 4.008 -3.493 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.809 5.425 -3.495 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.384 3.784 -3.938 1.00 0.00 C ATOM 0 H THR A 57 -10.564 4.674 -0.715 1.00 0.00 H new ATOM 0 HA THR A 57 -9.563 2.354 -2.206 1.00 0.00 H new ATOM 0 HB THR A 57 -9.233 3.496 -4.151 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.007 5.770 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.530 4.211 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.594 2.715 -3.969 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.060 4.266 -3.232 1.00 0.00 H new ATOM 42 N ILE A 58 -7.209 3.551 -2.104 1.00 0.00 N ATOM 43 CA ILE A 58 -5.946 4.146 -1.773 1.00 0.00 C ATOM 44 C ILE A 58 -5.066 3.957 -2.962 1.00 0.00 C ATOM 45 O ILE A 58 -5.400 3.200 -3.876 1.00 0.00 O ATOM 46 CB ILE A 58 -5.244 3.540 -0.546 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.163 2.672 0.318 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.524 4.591 0.311 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.432 1.942 1.449 1.00 0.00 C ATOM 0 H ILE A 58 -7.155 2.755 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.131 5.189 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.485 2.879 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.944 3.300 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.658 1.937 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.048 4.103 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.766 5.093 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.246 5.324 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.146 1.347 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.669 1.288 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.960 2.671 2.107 1.00 0.00 H new ATOM 61 N ARG A 59 -3.901 4.636 -2.987 1.00 0.00 N ATOM 62 CA ARG A 59 -3.068 4.542 -4.139 1.00 0.00 C ATOM 63 C ARG A 59 -1.911 3.688 -3.777 1.00 0.00 C ATOM 64 O ARG A 59 -1.513 3.630 -2.619 1.00 0.00 O ATOM 65 CB ARG A 59 -2.529 5.904 -4.544 1.00 0.00 C ATOM 66 CG ARG A 59 -3.523 6.725 -5.362 1.00 0.00 C ATOM 67 CD ARG A 59 -4.612 7.409 -4.524 1.00 0.00 C ATOM 68 NE ARG A 59 -4.081 8.730 -4.072 1.00 0.00 N ATOM 69 CZ ARG A 59 -4.799 9.502 -3.210 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.958 9.057 -2.685 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.344 10.724 -2.848 1.00 0.00 N ATOM 0 H ARG A 59 -3.549 5.229 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.648 4.135 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.258 6.462 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.616 5.769 -5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.977 7.486 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.999 6.074 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.519 7.544 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.878 6.791 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.176 9.056 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.308 8.131 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.485 9.646 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.460 11.070 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.885 11.299 -2.202 1.00 0.00 H new ATOM 85 N VAL A 60 -1.321 3.044 -4.796 1.00 0.00 N ATOM 86 CA VAL A 60 -0.149 2.253 -4.578 1.00 0.00 C ATOM 87 C VAL A 60 0.863 2.699 -5.575 1.00 0.00 C ATOM 88 O VAL A 60 0.719 2.454 -6.768 1.00 0.00 O ATOM 89 CB VAL A 60 -0.349 0.743 -4.738 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.816 -0.082 -4.177 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.670 0.240 -4.139 1.00 0.00 C ATOM 0 H VAL A 60 -1.649 3.068 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 60 0.153 2.402 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.386 0.592 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.613 -1.143 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.735 0.186 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.929 0.124 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.749 -0.837 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.694 0.463 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.506 0.736 -4.633 1.00 0.00 H new ATOM 101 N PHE A 61 1.915 3.367 -5.078 1.00 0.00 N ATOM 102 CA PHE A 61 2.958 3.855 -5.931 1.00 0.00 C ATOM 103 C PHE A 61 4.013 2.794 -5.960 1.00 0.00 C ATOM 104 O PHE A 61 4.250 2.103 -4.967 1.00 0.00 O ATOM 105 CB PHE A 61 3.579 5.156 -5.408 1.00 0.00 C ATOM 106 CG PHE A 61 2.690 6.290 -5.800 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.380 6.381 -5.310 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.172 7.351 -6.553 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.611 7.503 -5.542 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.419 8.501 -6.727 1.00 0.00 C ATOM 111 CZ PHE A 61 1.146 8.585 -6.204 1.00 0.00 C ATOM 0 H PHE A 61 2.047 3.571 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 61 2.547 4.071 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.688 5.116 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.577 5.294 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.966 5.561 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.148 7.279 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.414 7.532 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.831 9.336 -7.275 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.572 9.494 -6.313 1.00 0.00 H new ATOM 121 N LEU A 62 4.673 2.609 -7.120 1.00 0.00 N ATOM 122 CA LEU A 62 5.513 1.458 -7.276 1.00 0.00 C ATOM 123 C LEU A 62 6.902 1.845 -6.858 1.00 0.00 C ATOM 124 O LEU A 62 7.267 3.022 -6.839 1.00 0.00 O ATOM 125 CB LEU A 62 5.563 0.954 -8.723 1.00 0.00 C ATOM 126 CG LEU A 62 4.301 0.209 -9.178 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.572 -1.243 -9.565 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.104 0.305 -8.216 1.00 0.00 C ATOM 0 H LEU A 62 4.629 3.233 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 62 5.104 0.654 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.727 1.804 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.422 0.292 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 62 4.003 0.750 -10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.641 -1.716 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.288 -1.273 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.981 -1.778 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.262 -0.253 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.380 -0.114 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.820 1.350 -8.091 1.00 0.00 H new ATOM 140 N PRO A 63 7.703 0.796 -6.699 1.00 0.00 N ATOM 141 CA PRO A 63 9.064 1.195 -6.404 1.00 0.00 C ATOM 142 C PRO A 63 9.699 1.449 -7.753 1.00 0.00 C ATOM 143 O PRO A 63 10.848 1.876 -7.837 1.00 0.00 O ATOM 144 CB PRO A 63 9.708 -0.017 -5.772 1.00 0.00 C ATOM 145 CG PRO A 63 8.569 -0.903 -5.279 1.00 0.00 C ATOM 146 CD PRO A 63 7.290 -0.350 -5.908 1.00 0.00 C ATOM 0 HA PRO A 63 9.154 2.066 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.328 -0.548 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.358 0.275 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.729 -1.941 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.506 -0.885 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.804 -1.101 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.572 -0.058 -5.142 1.00 0.00 H new ATOM 154 N ASN A 64 8.939 1.237 -8.850 1.00 0.00 N ATOM 155 CA ASN A 64 9.418 1.575 -10.159 1.00 0.00 C ATOM 156 C ASN A 64 8.904 2.956 -10.476 1.00 0.00 C ATOM 157 O ASN A 64 8.834 3.349 -11.639 1.00 0.00 O ATOM 158 CB ASN A 64 8.917 0.591 -11.234 1.00 0.00 C ATOM 159 CG ASN A 64 10.000 0.439 -12.297 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.749 -0.537 -12.302 1.00 0.00 O ATOM 161 ND2 ASN A 64 10.082 1.423 -13.229 1.00 0.00 N ATOM 0 H ASN A 64 8.002 0.835 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 64 10.507 1.529 -10.164 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.689 -0.376 -10.785 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.995 0.959 -11.683 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.783 1.369 -13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.442 2.217 -13.191 1.00 0.00 H new ATOM 168 N LYS A 65 8.451 3.685 -9.430 1.00 0.00 N ATOM 169 CA LYS A 65 8.078 5.067 -9.574 1.00 0.00 C ATOM 170 C LYS A 65 6.690 5.125 -10.135 1.00 0.00 C ATOM 171 O LYS A 65 6.151 6.205 -10.356 1.00 0.00 O ATOM 172 CB LYS A 65 9.022 5.925 -10.425 1.00 0.00 C ATOM 173 CG LYS A 65 10.502 5.713 -10.095 1.00 0.00 C ATOM 174 CD LYS A 65 10.914 6.278 -8.728 1.00 0.00 C ATOM 175 CE LYS A 65 11.061 5.211 -7.638 1.00 0.00 C ATOM 176 NZ LYS A 65 12.134 4.282 -7.986 1.00 0.00 N ATOM 0 H LYS A 65 8.343 3.317 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 65 8.140 5.503 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.856 5.698 -11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.773 6.976 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.722 4.646 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.109 6.181 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.860 6.808 -8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.172 7.010 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.276 5.685 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.123 4.668 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.733 3.339 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.619 4.617 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.815 4.228 -7.202 1.00 0.00 H new ATOM 190 N GLN A 66 6.063 3.947 -10.325 1.00 0.00 N ATOM 191 CA GLN A 66 4.769 3.893 -10.938 1.00 0.00 C ATOM 192 C GLN A 66 3.741 4.081 -9.879 1.00 0.00 C ATOM 193 O GLN A 66 4.042 4.486 -8.762 1.00 0.00 O ATOM 194 CB GLN A 66 4.505 2.562 -11.656 1.00 0.00 C ATOM 195 CG GLN A 66 4.705 2.633 -13.169 1.00 0.00 C ATOM 196 CD GLN A 66 3.482 3.299 -13.786 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.482 4.501 -14.058 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.404 2.505 -14.022 1.00 0.00 N ATOM 0 H GLN A 66 6.447 3.041 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 66 4.724 4.680 -11.691 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.167 1.800 -11.246 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.484 2.243 -11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.605 3.200 -13.406 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.840 1.633 -13.581 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.439 1.514 -13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.560 2.901 -14.437 1.00 0.00 H new ATOM 207 N ARG A 67 2.461 3.895 -10.255 1.00 0.00 N ATOM 208 CA ARG A 67 1.410 4.046 -9.302 1.00 0.00 C ATOM 209 C ARG A 67 0.168 3.450 -9.879 1.00 0.00 C ATOM 210 O ARG A 67 0.098 3.151 -11.071 1.00 0.00 O ATOM 211 CB ARG A 67 1.123 5.496 -8.923 1.00 0.00 C ATOM 212 CG ARG A 67 0.857 6.410 -10.123 1.00 0.00 C ATOM 213 CD ARG A 67 2.037 7.324 -10.462 1.00 0.00 C ATOM 214 NE ARG A 67 2.631 6.834 -11.741 1.00 0.00 N ATOM 215 CZ ARG A 67 3.783 7.377 -12.222 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.425 8.345 -11.540 1.00 0.00 N ATOM 217 NH2 ARG A 67 4.296 6.934 -13.390 1.00 0.00 N ATOM 0 H ARG A 67 2.161 3.646 -11.197 1.00 0.00 H new ATOM 0 HA ARG A 67 1.730 3.542 -8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.259 5.524 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.970 5.889 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.620 5.797 -10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.020 7.023 -9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.705 8.357 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.778 7.305 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 67 2.170 6.086 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.049 8.679 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.287 8.744 -11.911 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.821 6.195 -13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.159 7.338 -13.754 1.00 0.00 H new ATOM 231 N THR A 68 -0.842 3.281 -9.007 1.00 0.00 N ATOM 232 CA THR A 68 -2.130 2.812 -9.426 1.00 0.00 C ATOM 233 C THR A 68 -3.052 3.037 -8.269 1.00 0.00 C ATOM 234 O THR A 68 -2.602 3.343 -7.164 1.00 0.00 O ATOM 235 CB THR A 68 -2.149 1.320 -9.809 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.415 0.963 -10.349 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.799 0.370 -8.653 1.00 0.00 C ATOM 0 H THR A 68 -0.768 3.470 -8.007 1.00 0.00 H new ATOM 0 HA THR A 68 -2.427 3.352 -10.325 1.00 0.00 H new ATOM 0 HB THR A 68 -1.366 1.200 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.412 0.013 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.835 -0.661 -9.006 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.796 0.594 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.517 0.502 -7.844 1.00 0.00 H new ATOM 245 N VAL A 69 -4.371 2.910 -8.501 1.00 0.00 N ATOM 246 CA VAL A 69 -5.308 3.017 -7.421 1.00 0.00 C ATOM 247 C VAL A 69 -5.871 1.654 -7.195 1.00 0.00 C ATOM 248 O VAL A 69 -6.000 0.859 -8.125 1.00 0.00 O ATOM 249 CB VAL A 69 -6.449 4.013 -7.673 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.052 3.915 -9.080 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.547 4.004 -6.590 1.00 0.00 C ATOM 0 H VAL A 69 -4.785 2.737 -9.417 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.777 3.403 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.960 4.985 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.852 4.648 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.278 4.113 -9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.455 2.914 -9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.314 4.735 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.995 3.012 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.108 4.258 -5.625 1.00 0.00 H new ATOM 261 N VAL A 70 -6.184 1.350 -5.923 1.00 0.00 N ATOM 262 CA VAL A 70 -6.719 0.064 -5.591 1.00 0.00 C ATOM 263 C VAL A 70 -7.877 0.285 -4.673 1.00 0.00 C ATOM 264 O VAL A 70 -7.976 1.320 -4.011 1.00 0.00 O ATOM 265 CB VAL A 70 -5.703 -0.871 -4.923 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.544 -1.253 -5.844 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.093 -0.315 -3.624 1.00 0.00 C ATOM 0 H VAL A 70 -6.069 1.984 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.014 -0.430 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.303 -1.750 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.860 -1.915 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.933 -1.763 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.012 -0.353 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.386 -1.037 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.575 0.620 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.886 -0.134 -2.898 1.00 0.00 H new ATOM 277 N ASN A 71 -8.779 -0.712 -4.609 1.00 0.00 N ATOM 278 CA ASN A 71 -9.941 -0.599 -3.778 1.00 0.00 C ATOM 279 C ASN A 71 -9.706 -1.464 -2.580 1.00 0.00 C ATOM 280 O ASN A 71 -9.077 -2.520 -2.677 1.00 0.00 O ATOM 281 CB ASN A 71 -11.226 -1.086 -4.468 1.00 0.00 C ATOM 282 CG ASN A 71 -11.488 -0.188 -5.672 1.00 0.00 C ATOM 283 OD1 ASN A 71 -11.859 0.977 -5.526 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.294 -0.734 -6.902 1.00 0.00 N ATOM 0 H ASN A 71 -8.707 -1.588 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.084 0.453 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.118 -2.124 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.067 -1.049 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.456 -0.175 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.986 -1.703 -6.987 1.00 0.00 H new ATOM 291 N VAL A 72 -10.227 -1.031 -1.417 1.00 0.00 N ATOM 292 CA VAL A 72 -9.999 -1.759 -0.204 1.00 0.00 C ATOM 293 C VAL A 72 -11.344 -2.109 0.362 1.00 0.00 C ATOM 294 O VAL A 72 -12.360 -2.047 -0.327 1.00 0.00 O ATOM 295 CB VAL A 72 -9.214 -0.957 0.845 1.00 0.00 C ATOM 296 CG1 VAL A 72 -8.406 -1.835 1.810 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.241 0.057 0.233 1.00 0.00 C ATOM 0 H VAL A 72 -10.797 -0.191 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.399 -2.638 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.999 -0.435 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.878 -1.202 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.081 -2.501 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.685 -2.427 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.720 0.588 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.515 -0.466 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.795 0.771 -0.377 1.00 0.00 H new ATOM 369 N SER A 77 -6.455 -6.127 4.114 1.00 0.00 N ATOM 370 CA SER A 77 -5.180 -5.952 4.740 1.00 0.00 C ATOM 371 C SER A 77 -4.389 -5.014 3.904 1.00 0.00 C ATOM 372 O SER A 77 -4.938 -4.195 3.184 1.00 0.00 O ATOM 373 CB SER A 77 -4.375 -7.255 4.785 1.00 0.00 C ATOM 374 OG SER A 77 -5.124 -8.281 5.422 1.00 0.00 O ATOM 0 HA SER A 77 -5.355 -5.596 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.113 -7.563 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.440 -7.093 5.321 1.00 0.00 H new ATOM 0 HG SER A 77 -4.927 -9.142 4.997 1.00 0.00 H new ATOM 380 N LEU A 78 -3.065 -5.033 4.132 1.00 0.00 N ATOM 381 CA LEU A 78 -2.144 -4.371 3.271 1.00 0.00 C ATOM 382 C LEU A 78 -1.723 -5.359 2.227 1.00 0.00 C ATOM 383 O LEU A 78 -1.470 -4.972 1.109 1.00 0.00 O ATOM 384 CB LEU A 78 -0.911 -3.960 4.080 1.00 0.00 C ATOM 385 CG LEU A 78 -0.769 -2.453 4.265 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.680 -1.709 2.987 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.019 -1.774 4.782 1.00 0.00 C ATOM 0 H LEU A 78 -2.632 -5.512 4.921 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.598 -3.488 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.957 -4.434 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.019 -4.341 3.583 1.00 0.00 H new ATOM 0 HG LEU A 78 0.103 -2.415 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.581 -0.643 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.189 -2.053 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.583 -1.883 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.836 -0.705 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.837 -1.935 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.285 -2.193 5.753 1.00 0.00 H new ATOM 399 N HIS A 79 -1.622 -6.647 2.614 1.00 0.00 N ATOM 400 CA HIS A 79 -1.143 -7.667 1.721 1.00 0.00 C ATOM 401 C HIS A 79 -2.290 -8.148 0.876 1.00 0.00 C ATOM 402 O HIS A 79 -2.109 -8.511 -0.276 1.00 0.00 O ATOM 403 CB HIS A 79 -0.572 -8.880 2.469 1.00 0.00 C ATOM 404 CG HIS A 79 0.911 -9.046 2.298 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.836 -9.509 3.158 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.561 -8.754 1.129 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 3.042 -9.477 2.517 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 2.855 -8.980 1.306 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.871 -6.984 3.544 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.347 -7.227 1.120 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.799 -8.782 3.531 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.073 -9.782 2.118 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.668 -9.826 4.113 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.099 -8.400 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.986 -9.802 2.929 1.00 0.00 H new ATOM 417 N ASP A 80 -3.496 -8.287 1.461 1.00 0.00 N ATOM 418 CA ASP A 80 -4.621 -8.759 0.698 1.00 0.00 C ATOM 419 C ASP A 80 -5.144 -7.597 -0.080 1.00 0.00 C ATOM 420 O ASP A 80 -5.885 -7.763 -1.045 1.00 0.00 O ATOM 421 CB ASP A 80 -5.759 -9.270 1.592 1.00 0.00 C ATOM 422 CG ASP A 80 -5.202 -10.364 2.489 1.00 0.00 C ATOM 423 OD1 ASP A 80 -5.094 -11.521 2.010 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.862 -10.044 3.661 1.00 0.00 O ATOM 0 H ASP A 80 -3.694 -8.079 2.440 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.290 -9.584 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.166 -8.456 2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.576 -9.657 0.983 1.00 0.00 H new ATOM 429 N CYS A 81 -4.748 -6.385 0.339 1.00 0.00 N ATOM 430 CA CYS A 81 -4.965 -5.218 -0.459 1.00 0.00 C ATOM 431 C CYS A 81 -3.882 -5.197 -1.493 1.00 0.00 C ATOM 432 O CYS A 81 -4.140 -5.065 -2.687 1.00 0.00 O ATOM 433 CB CYS A 81 -4.810 -3.989 0.443 1.00 0.00 C ATOM 434 SG CYS A 81 -5.006 -2.455 -0.526 1.00 0.00 S ATOM 0 H CYS A 81 -4.279 -6.211 1.228 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.953 -5.218 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.553 -4.020 1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.830 -4.002 0.920 1.00 0.00 H new ATOM 0 HG CYS A 81 -4.873 -1.427 0.258 1.00 0.00 H new ATOM 440 N LEU A 82 -2.627 -5.384 -1.048 1.00 0.00 N ATOM 441 CA LEU A 82 -1.524 -5.405 -1.958 1.00 0.00 C ATOM 442 C LEU A 82 -1.341 -6.786 -2.417 1.00 0.00 C ATOM 443 O LEU A 82 -0.334 -7.436 -2.142 1.00 0.00 O ATOM 444 CB LEU A 82 -0.255 -4.774 -1.460 1.00 0.00 C ATOM 445 CG LEU A 82 -0.287 -3.269 -1.658 1.00 0.00 C ATOM 446 CD1 LEU A 82 -1.654 -2.640 -1.370 1.00 0.00 C ATOM 447 CD2 LEU A 82 0.999 -2.525 -1.306 1.00 0.00 C ATOM 0 H LEU A 82 -2.377 -5.519 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.778 -4.756 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.120 -5.003 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.599 -5.197 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.230 -3.086 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.601 -1.563 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.401 -3.071 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.935 -2.837 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.863 -1.459 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.238 -2.689 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.815 -2.896 -1.926 1.00 0.00 H new ATOM 459 N MET A 83 -2.317 -7.153 -3.231 1.00 0.00 N ATOM 460 CA MET A 83 -2.455 -8.462 -3.765 1.00 0.00 C ATOM 461 C MET A 83 -3.084 -8.260 -5.096 1.00 0.00 C ATOM 462 O MET A 83 -2.510 -8.651 -6.099 1.00 0.00 O ATOM 463 CB MET A 83 -3.367 -9.310 -2.860 1.00 0.00 C ATOM 464 CG MET A 83 -4.139 -10.401 -3.602 1.00 0.00 C ATOM 465 SD MET A 83 -4.436 -11.811 -2.488 1.00 0.00 S ATOM 466 CE MET A 83 -6.035 -11.304 -1.778 1.00 0.00 C ATOM 0 H MET A 83 -3.050 -6.513 -3.537 1.00 0.00 H new ATOM 0 HA MET A 83 -1.503 -8.987 -3.836 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.760 -9.774 -2.082 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.078 -8.652 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.088 -10.006 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.575 -10.728 -4.476 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.116 -11.681 -0.759 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.100 -10.216 -1.769 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.846 -11.711 -2.381 1.00 0.00 H new ATOM 476 N LYS A 84 -4.151 -7.428 -5.106 1.00 0.00 N ATOM 477 CA LYS A 84 -4.716 -6.906 -6.319 1.00 0.00 C ATOM 478 C LYS A 84 -3.622 -6.318 -7.143 1.00 0.00 C ATOM 479 O LYS A 84 -3.398 -6.724 -8.281 1.00 0.00 O ATOM 480 CB LYS A 84 -5.575 -5.677 -6.006 1.00 0.00 C ATOM 481 CG LYS A 84 -6.863 -6.008 -5.269 1.00 0.00 C ATOM 482 CD LYS A 84 -6.767 -5.834 -3.751 1.00 0.00 C ATOM 483 CE LYS A 84 -8.038 -6.250 -3.006 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.110 -5.293 -3.269 1.00 0.00 N ATOM 0 H LYS A 84 -4.627 -7.114 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.266 -7.715 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.991 -4.979 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.820 -5.168 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.662 -5.371 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.143 -7.038 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.928 -6.422 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.549 -4.790 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.344 -7.247 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.841 -6.302 -1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.958 -5.565 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.806 -4.342 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.330 -5.289 -4.285 1.00 0.00 H new ATOM 498 N ALA A 85 -2.946 -5.307 -6.566 1.00 0.00 N ATOM 499 CA ALA A 85 -2.182 -4.377 -7.364 1.00 0.00 C ATOM 500 C ALA A 85 -0.862 -4.997 -7.707 1.00 0.00 C ATOM 501 O ALA A 85 0.048 -4.300 -8.139 1.00 0.00 O ATOM 502 CB ALA A 85 -1.890 -3.132 -6.505 1.00 0.00 C ATOM 0 H ALA A 85 -2.923 -5.129 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.737 -4.121 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.313 -2.415 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.830 -2.675 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.320 -3.424 -5.623 1.00 0.00 H new ATOM 508 N LEU A 86 -0.692 -6.294 -7.408 1.00 0.00 N ATOM 509 CA LEU A 86 0.578 -6.929 -7.581 1.00 0.00 C ATOM 510 C LEU A 86 0.330 -8.115 -8.429 1.00 0.00 C ATOM 511 O LEU A 86 1.201 -8.545 -9.163 1.00 0.00 O ATOM 512 CB LEU A 86 1.065 -7.539 -6.267 1.00 0.00 C ATOM 513 CG LEU A 86 1.167 -6.557 -5.096 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.377 -5.626 -5.175 1.00 0.00 C ATOM 515 CD2 LEU A 86 -0.018 -5.596 -4.943 1.00 0.00 C ATOM 0 H LEU A 86 -1.428 -6.902 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 86 1.287 -6.200 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.389 -8.347 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.045 -7.986 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 86 1.223 -7.252 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.381 -4.960 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.292 -6.218 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.322 -5.035 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.151 -4.943 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.116 -4.992 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.933 -6.168 -4.788 1.00 0.00 H new ATOM 527 N LYS A 87 -0.844 -8.737 -8.224 1.00 0.00 N ATOM 528 CA LYS A 87 -1.265 -9.841 -9.036 1.00 0.00 C ATOM 529 C LYS A 87 -1.351 -9.373 -10.456 1.00 0.00 C ATOM 530 O LYS A 87 -0.984 -10.099 -11.378 1.00 0.00 O ATOM 531 CB LYS A 87 -2.691 -10.211 -8.653 1.00 0.00 C ATOM 532 CG LYS A 87 -3.011 -11.682 -8.852 1.00 0.00 C ATOM 533 CD LYS A 87 -3.772 -11.971 -10.148 1.00 0.00 C ATOM 534 CE LYS A 87 -4.149 -13.446 -10.318 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.847 -13.641 -11.586 1.00 0.00 N ATOM 0 H LYS A 87 -1.506 -8.476 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.572 -10.672 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.857 -9.950 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.384 -9.613 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.081 -12.251 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.602 -12.035 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.679 -11.367 -10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.162 -11.660 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.252 -14.065 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.784 -13.765 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.099 -14.644 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.712 -13.064 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.228 -13.354 -12.371 1.00 0.00 H new ATOM 549 N VAL A 88 -1.877 -8.147 -10.631 1.00 0.00 N ATOM 550 CA VAL A 88 -2.030 -7.555 -11.936 1.00 0.00 C ATOM 551 C VAL A 88 -0.666 -7.469 -12.574 1.00 0.00 C ATOM 552 O VAL A 88 -0.529 -7.507 -13.795 1.00 0.00 O ATOM 553 CB VAL A 88 -2.568 -6.120 -11.808 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.451 -5.290 -13.092 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.002 -6.053 -11.283 1.00 0.00 C ATOM 0 H VAL A 88 -2.201 -7.557 -9.865 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.719 -8.159 -12.526 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.909 -5.672 -11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.852 -4.292 -12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.403 -5.214 -13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.014 -5.773 -13.890 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.317 -5.012 -11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.664 -6.591 -11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.049 -6.509 -10.294 1.00 0.00 H new ATOM 565 N ARG A 89 0.371 -7.365 -11.729 1.00 0.00 N ATOM 566 CA ARG A 89 1.689 -7.052 -12.190 1.00 0.00 C ATOM 567 C ARG A 89 2.448 -8.336 -12.309 1.00 0.00 C ATOM 568 O ARG A 89 3.272 -8.504 -13.206 1.00 0.00 O ATOM 569 CB ARG A 89 2.337 -6.205 -11.100 1.00 0.00 C ATOM 570 CG ARG A 89 1.446 -5.052 -10.647 1.00 0.00 C ATOM 571 CD ARG A 89 2.233 -3.845 -10.136 1.00 0.00 C ATOM 572 NE ARG A 89 1.281 -2.704 -10.007 1.00 0.00 N ATOM 573 CZ ARG A 89 0.845 -2.035 -11.110 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.342 -2.317 -12.330 1.00 0.00 N ATOM 575 NH2 ARG A 89 -0.048 -1.030 -10.980 1.00 0.00 N ATOM 0 H ARG A 89 0.299 -7.498 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 89 1.678 -6.531 -13.147 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.570 -6.838 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.282 -5.806 -11.468 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.816 -4.740 -11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.781 -5.404 -9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.694 -4.069 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.039 -3.594 -10.826 1.00 0.00 H new ATOM 0 HE ARG A 89 0.953 -2.422 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.054 -3.040 -12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.006 -1.808 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.395 -0.773 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.375 -0.528 -11.806 1.00 0.00 H new ATOM 589 N GLY A 90 2.201 -9.254 -11.361 1.00 0.00 N ATOM 590 CA GLY A 90 2.983 -10.452 -11.255 1.00 0.00 C ATOM 591 C GLY A 90 4.111 -10.156 -10.316 1.00 0.00 C ATOM 592 O GLY A 90 5.245 -10.579 -10.537 1.00 0.00 O ATOM 0 H GLY A 90 1.460 -9.170 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.376 -11.277 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.363 -10.752 -12.232 1.00 0.00 H new ATOM 596 N LEU A 91 3.814 -9.409 -9.233 1.00 0.00 N ATOM 597 CA LEU A 91 4.856 -8.917 -8.378 1.00 0.00 C ATOM 598 C LEU A 91 4.785 -9.679 -7.090 1.00 0.00 C ATOM 599 O LEU A 91 3.781 -10.319 -6.780 1.00 0.00 O ATOM 600 CB LEU A 91 4.681 -7.430 -8.021 1.00 0.00 C ATOM 601 CG LEU A 91 5.174 -6.452 -9.097 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.113 -5.369 -8.545 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.829 -7.129 -10.308 1.00 0.00 C ATOM 0 H LEU A 91 2.869 -9.149 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 91 5.802 -9.039 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.625 -7.238 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.215 -7.228 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 91 4.257 -5.975 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.425 -4.711 -9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.591 -4.787 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.990 -5.840 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.149 -6.369 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.694 -7.705 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.110 -7.794 -10.786 1.00 0.00 H new ATOM 615 N GLN A 92 5.855 -9.558 -6.277 1.00 0.00 N ATOM 616 CA GLN A 92 5.876 -10.167 -4.980 1.00 0.00 C ATOM 617 C GLN A 92 5.878 -9.049 -3.973 1.00 0.00 C ATOM 618 O GLN A 92 6.828 -8.269 -3.883 1.00 0.00 O ATOM 619 CB GLN A 92 7.140 -11.009 -4.757 1.00 0.00 C ATOM 620 CG GLN A 92 7.197 -12.268 -5.633 1.00 0.00 C ATOM 621 CD GLN A 92 7.023 -13.491 -4.738 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.987 -14.195 -4.434 1.00 0.00 O ATOM 623 NE2 GLN A 92 5.757 -13.797 -4.329 1.00 0.00 N ATOM 0 H GLN A 92 6.701 -9.041 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 92 5.014 -10.827 -4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.017 -10.395 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.192 -11.302 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.413 -12.238 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.149 -12.318 -6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.976 -13.197 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.592 -14.626 -3.758 1.00 0.00 H new ATOM 632 N PRO A 93 4.829 -9.064 -3.165 1.00 0.00 N ATOM 633 CA PRO A 93 4.812 -7.906 -2.293 1.00 0.00 C ATOM 634 C PRO A 93 5.448 -8.377 -1.011 1.00 0.00 C ATOM 635 O PRO A 93 5.853 -7.573 -0.178 1.00 0.00 O ATOM 636 CB PRO A 93 3.349 -7.622 -2.022 1.00 0.00 C ATOM 637 CG PRO A 93 2.579 -8.854 -2.481 1.00 0.00 C ATOM 638 CD PRO A 93 3.500 -9.569 -3.457 1.00 0.00 C ATOM 0 HA PRO A 93 5.317 -7.029 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.180 -7.431 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.019 -6.734 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.327 -9.496 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.641 -8.574 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.451 -10.650 -3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.218 -9.361 -4.489 1.00 0.00 H new ATOM 646 N GLU A 94 5.627 -9.705 -0.844 1.00 0.00 N ATOM 647 CA GLU A 94 6.085 -10.235 0.413 1.00 0.00 C ATOM 648 C GLU A 94 7.551 -9.929 0.549 1.00 0.00 C ATOM 649 O GLU A 94 8.123 -10.060 1.629 1.00 0.00 O ATOM 650 CB GLU A 94 5.924 -11.758 0.532 1.00 0.00 C ATOM 651 CG GLU A 94 4.510 -12.258 0.204 1.00 0.00 C ATOM 652 CD GLU A 94 4.496 -12.746 -1.240 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.853 -11.939 -2.142 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.138 -13.933 -1.462 1.00 0.00 O ATOM 0 H GLU A 94 5.458 -10.404 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 94 5.477 -9.773 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.635 -12.243 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.181 -12.063 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.227 -13.065 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.783 -11.457 0.341 1.00 0.00 H new ATOM 661 N CYS A 95 8.190 -9.491 -0.553 1.00 0.00 N ATOM 662 CA CYS A 95 9.607 -9.272 -0.537 1.00 0.00 C ATOM 663 C CYS A 95 9.841 -7.792 -0.426 1.00 0.00 C ATOM 664 O CYS A 95 10.961 -7.314 -0.608 1.00 0.00 O ATOM 665 CB CYS A 95 10.271 -9.744 -1.835 1.00 0.00 C ATOM 666 SG CYS A 95 10.154 -11.558 -1.956 1.00 0.00 S ATOM 0 H CYS A 95 7.734 -9.291 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 95 10.032 -9.830 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.785 -9.280 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.316 -9.435 -1.854 1.00 0.00 H new ATOM 0 HG CYS A 95 10.716 -11.956 -3.059 1.00 0.00 H new ATOM 672 N CYS A 96 8.785 -7.024 -0.094 1.00 0.00 N ATOM 673 CA CYS A 96 8.886 -5.595 -0.141 1.00 0.00 C ATOM 674 C CYS A 96 8.298 -5.054 1.130 1.00 0.00 C ATOM 675 O CYS A 96 7.746 -5.795 1.942 1.00 0.00 O ATOM 676 CB CYS A 96 8.056 -5.028 -1.301 1.00 0.00 C ATOM 677 SG CYS A 96 8.810 -5.503 -2.891 1.00 0.00 S ATOM 0 H CYS A 96 7.877 -7.383 0.202 1.00 0.00 H new ATOM 0 HA CYS A 96 9.932 -5.316 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.034 -5.403 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.001 -3.942 -1.224 1.00 0.00 H new ATOM 0 HG CYS A 96 8.190 -6.539 -3.373 1.00 0.00 H new ATOM 683 N ALA A 97 8.414 -3.722 1.316 1.00 0.00 N ATOM 684 CA ALA A 97 7.774 -3.060 2.416 1.00 0.00 C ATOM 685 C ALA A 97 6.895 -2.008 1.828 1.00 0.00 C ATOM 686 O ALA A 97 7.282 -1.306 0.901 1.00 0.00 O ATOM 687 CB ALA A 97 8.708 -2.355 3.418 1.00 0.00 C ATOM 0 H ALA A 97 8.950 -3.105 0.706 1.00 0.00 H new ATOM 0 HA ALA A 97 7.261 -3.837 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.114 -1.891 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.386 -3.085 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.286 -1.589 2.900 1.00 0.00 H new ATOM 693 N VAL A 98 5.689 -1.857 2.397 1.00 0.00 N ATOM 694 CA VAL A 98 4.775 -0.855 1.939 1.00 0.00 C ATOM 695 C VAL A 98 4.790 0.248 2.953 1.00 0.00 C ATOM 696 O VAL A 98 5.088 0.034 4.132 1.00 0.00 O ATOM 697 CB VAL A 98 3.355 -1.422 1.827 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.979 -2.304 3.013 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.261 -0.368 1.649 1.00 0.00 C ATOM 0 H VAL A 98 5.345 -2.425 3.171 1.00 0.00 H new ATOM 0 HA VAL A 98 5.072 -0.499 0.953 1.00 0.00 H new ATOM 0 HB VAL A 98 3.399 -2.018 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.964 -2.678 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.670 -3.145 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.034 -1.721 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.290 -0.859 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.265 0.308 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.447 0.199 0.737 1.00 0.00 H new ATOM 709 N PHE A 99 4.441 1.467 2.508 1.00 0.00 N ATOM 710 CA PHE A 99 4.551 2.617 3.350 1.00 0.00 C ATOM 711 C PHE A 99 3.418 3.526 3.014 1.00 0.00 C ATOM 712 O PHE A 99 2.859 3.471 1.918 1.00 0.00 O ATOM 713 CB PHE A 99 5.795 3.466 3.055 1.00 0.00 C ATOM 714 CG PHE A 99 6.994 2.723 3.527 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.592 1.759 2.711 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.656 3.083 4.690 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.892 1.357 2.936 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.933 2.650 4.937 1.00 0.00 C ATOM 719 CZ PHE A 99 9.580 1.868 4.012 1.00 0.00 C ATOM 0 H PHE A 99 4.085 1.657 1.571 1.00 0.00 H new ATOM 0 HA PHE A 99 4.578 2.251 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.871 3.669 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.724 4.430 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.031 1.325 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.159 3.714 5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.365 0.648 2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.429 2.923 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.632 1.654 4.130 1.00 0.00 H new ATOM 729 N ARG A 100 3.146 4.468 3.935 1.00 0.00 N ATOM 730 CA ARG A 100 2.446 5.663 3.581 1.00 0.00 C ATOM 731 C ARG A 100 3.501 6.662 3.199 1.00 0.00 C ATOM 732 O ARG A 100 4.562 6.734 3.826 1.00 0.00 O ATOM 733 CB ARG A 100 1.693 6.261 4.764 1.00 0.00 C ATOM 734 CG ARG A 100 0.274 5.711 4.927 1.00 0.00 C ATOM 735 CD ARG A 100 -0.269 5.835 6.355 1.00 0.00 C ATOM 736 NE ARG A 100 -1.098 7.078 6.434 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.519 8.308 6.524 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.810 8.440 6.691 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.292 9.417 6.552 1.00 0.00 N ATOM 0 H ARG A 100 3.409 4.403 4.918 1.00 0.00 H new ATOM 0 HA ARG A 100 1.730 5.436 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.256 6.068 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.643 7.343 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.393 6.240 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.263 4.662 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.869 4.961 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.552 5.879 7.071 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.115 7.003 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.401 7.611 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.226 9.369 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.307 9.332 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.860 10.338 6.619 1.00 0.00 H new ATOM 753 N LEU A 101 3.215 7.507 2.194 1.00 0.00 N ATOM 754 CA LEU A 101 4.193 8.442 1.718 1.00 0.00 C ATOM 755 C LEU A 101 4.235 9.582 2.684 1.00 0.00 C ATOM 756 O LEU A 101 3.331 9.773 3.500 1.00 0.00 O ATOM 757 CB LEU A 101 3.780 9.046 0.366 1.00 0.00 C ATOM 758 CG LEU A 101 3.919 8.076 -0.809 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.934 6.919 -0.745 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.731 8.747 -2.175 1.00 0.00 C ATOM 0 H LEU A 101 2.317 7.546 1.713 1.00 0.00 H new ATOM 0 HA LEU A 101 5.145 7.922 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.745 9.381 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.389 9.929 0.171 1.00 0.00 H new ATOM 0 HG LEU A 101 4.940 7.707 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.083 6.267 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.097 6.353 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.916 7.307 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.842 8.003 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.736 9.188 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.481 9.527 -2.303 1.00 0.00 H new ATOM 772 N LEU A 102 5.266 10.433 2.535 1.00 0.00 N ATOM 773 CA LEU A 102 5.465 11.512 3.442 1.00 0.00 C ATOM 774 C LEU A 102 4.563 12.641 3.049 1.00 0.00 C ATOM 775 O LEU A 102 4.849 13.426 2.149 1.00 0.00 O ATOM 776 CB LEU A 102 6.926 11.945 3.575 1.00 0.00 C ATOM 777 CG LEU A 102 7.540 12.547 2.306 1.00 0.00 C ATOM 778 CD1 LEU A 102 9.021 12.895 2.478 1.00 0.00 C ATOM 779 CD2 LEU A 102 7.373 11.669 1.064 1.00 0.00 C ATOM 0 H LEU A 102 5.958 10.371 1.788 1.00 0.00 H new ATOM 0 HA LEU A 102 5.203 11.168 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.001 12.677 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.520 11.081 3.874 1.00 0.00 H new ATOM 0 HG LEU A 102 6.972 13.464 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.406 13.318 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.133 13.623 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.580 11.993 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.832 12.161 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.855 10.706 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.312 11.514 0.868 1.00 0.00 H new ATOM 791 N HIS A 103 3.405 12.726 3.727 1.00 0.00 N ATOM 792 CA HIS A 103 2.596 13.904 3.646 1.00 0.00 C ATOM 793 C HIS A 103 2.421 14.400 5.048 1.00 0.00 C ATOM 794 O HIS A 103 1.813 15.441 5.285 1.00 0.00 O ATOM 795 CB HIS A 103 1.237 13.707 2.956 1.00 0.00 C ATOM 796 CG HIS A 103 0.417 12.594 3.541 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.813 11.281 3.467 1.00 0.00 N ATOM 798 CD2 HIS A 103 -0.903 12.573 3.840 1.00 0.00 C ATOM 799 CE1 HIS A 103 -0.232 10.506 3.705 1.00 0.00 C ATOM 800 NE2 HIS A 103 -1.293 11.266 3.904 1.00 0.00 N ATOM 0 H HIS A 103 3.031 11.989 4.325 1.00 0.00 H new ATOM 0 HA HIS A 103 3.105 14.628 3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.670 14.636 3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.403 13.506 1.898 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.758 10.957 3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.534 13.435 3.999 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -0.219 9.426 3.732 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.242 10.934 4.076 1.00 0.00 H new ATOM 809 N GLU A 104 3.018 13.668 6.012 1.00 0.00 N ATOM 810 CA GLU A 104 3.083 14.143 7.361 1.00 0.00 C ATOM 811 C GLU A 104 4.380 13.656 7.950 1.00 0.00 C ATOM 812 O GLU A 104 4.504 13.478 9.160 1.00 0.00 O ATOM 813 CB GLU A 104 1.881 13.783 8.245 1.00 0.00 C ATOM 814 CG GLU A 104 1.735 12.285 8.529 1.00 0.00 C ATOM 815 CD GLU A 104 1.066 11.625 7.331 1.00 0.00 C ATOM 816 OE1 GLU A 104 -0.179 11.755 7.182 1.00 0.00 O ATOM 817 OE2 GLU A 104 1.758 10.846 6.620 1.00 0.00 O ATOM 0 H GLU A 104 3.451 12.757 5.858 1.00 0.00 H new ATOM 0 HA GLU A 104 3.043 15.232 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.970 14.314 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.971 14.140 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.712 11.838 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.140 12.127 9.429 1.00 0.00 H new ATOM 824 N HIS A 105 5.376 13.391 7.077 1.00 0.00 N ATOM 825 CA HIS A 105 6.698 13.072 7.539 1.00 0.00 C ATOM 826 C HIS A 105 7.643 13.878 6.707 1.00 0.00 C ATOM 827 O HIS A 105 7.232 14.561 5.770 1.00 0.00 O ATOM 828 CB HIS A 105 7.111 11.585 7.417 1.00 0.00 C ATOM 829 CG HIS A 105 5.958 10.658 7.174 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.698 9.846 6.132 1.00 0.00 N flip ATOM 831 CD2 HIS A 105 4.931 10.511 8.064 1.00 0.00 C flip ATOM 832 CE1 HIS A 105 4.467 9.294 6.347 1.00 0.00 C flip ATOM 833 NE2 HIS A 105 4.034 9.695 7.532 1.00 0.00 N flip ATOM 0 H HIS A 105 5.268 13.397 6.063 1.00 0.00 H new ATOM 0 HA HIS A 105 6.722 13.294 8.606 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.827 11.482 6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.623 11.283 8.331 1.00 0.00 H new ATOM 0 HD2 HIS A 105 4.863 10.980 9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.938 8.643 5.667 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.152 9.420 7.965 1.00 0.00 H new ATOM 842 N LYS A 106 8.950 13.797 7.017 1.00 0.00 N ATOM 843 CA LYS A 106 9.916 14.506 6.238 1.00 0.00 C ATOM 844 C LYS A 106 11.064 13.574 6.013 1.00 0.00 C ATOM 845 O LYS A 106 11.600 12.991 6.954 1.00 0.00 O ATOM 846 CB LYS A 106 10.425 15.732 6.997 1.00 0.00 C ATOM 847 CG LYS A 106 11.564 16.475 6.293 1.00 0.00 C ATOM 848 CD LYS A 106 11.111 17.287 5.075 1.00 0.00 C ATOM 849 CE LYS A 106 10.207 18.471 5.431 1.00 0.00 C ATOM 850 NZ LYS A 106 9.885 19.233 4.230 1.00 0.00 N ATOM 0 H LYS A 106 9.332 13.252 7.790 1.00 0.00 H new ATOM 0 HA LYS A 106 9.470 14.840 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.595 16.422 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.765 15.419 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.045 17.145 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.317 15.752 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.990 17.657 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.580 16.629 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.291 18.111 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.705 19.114 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.271 20.034 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.762 19.590 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.392 18.619 3.551 1.00 0.00 H new ATOM 864 N GLY A 107 11.430 13.377 4.734 1.00 0.00 N ATOM 865 CA GLY A 107 12.648 12.683 4.421 1.00 0.00 C ATOM 866 C GLY A 107 12.303 11.275 4.048 1.00 0.00 C ATOM 867 O GLY A 107 12.835 10.734 3.080 1.00 0.00 O ATOM 0 H GLY A 107 10.894 13.691 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.167 13.177 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.323 12.695 5.277 1.00 0.00 H new ATOM 871 N LYS A 108 11.430 10.622 4.839 1.00 0.00 N ATOM 872 CA LYS A 108 11.282 9.204 4.725 1.00 0.00 C ATOM 873 C LYS A 108 9.856 8.916 4.371 1.00 0.00 C ATOM 874 O LYS A 108 9.211 9.661 3.640 1.00 0.00 O ATOM 875 CB LYS A 108 11.606 8.502 6.050 1.00 0.00 C ATOM 876 CG LYS A 108 13.078 8.617 6.451 1.00 0.00 C ATOM 877 CD LYS A 108 13.653 7.322 7.030 1.00 0.00 C ATOM 878 CE LYS A 108 15.117 7.444 7.460 1.00 0.00 C ATOM 879 NZ LYS A 108 15.593 6.165 7.980 1.00 0.00 N ATOM 0 H LYS A 108 10.839 11.065 5.543 1.00 0.00 H new ATOM 0 HA LYS A 108 11.969 8.836 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.987 8.928 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.340 7.448 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.663 8.907 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.185 9.414 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.054 7.020 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.566 6.530 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.729 7.752 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.217 8.216 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.588 6.257 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.017 5.888 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.513 5.438 7.240 1.00 0.00 H new ATOM 893 N LYS A 109 9.367 7.767 4.862 1.00 0.00 N ATOM 894 CA LYS A 109 8.043 7.322 4.581 1.00 0.00 C ATOM 895 C LYS A 109 7.595 6.606 5.812 1.00 0.00 C ATOM 896 O LYS A 109 8.414 6.084 6.568 1.00 0.00 O ATOM 897 CB LYS A 109 8.078 6.334 3.415 1.00 0.00 C ATOM 898 CG LYS A 109 8.065 6.981 2.034 1.00 0.00 C ATOM 899 CD LYS A 109 7.313 6.143 1.012 1.00 0.00 C ATOM 900 CE LYS A 109 8.073 4.878 0.610 1.00 0.00 C ATOM 901 NZ LYS A 109 9.238 5.232 -0.196 1.00 0.00 N ATOM 0 H LYS A 109 9.899 7.138 5.463 1.00 0.00 H new ATOM 0 HA LYS A 109 7.381 8.147 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.973 5.718 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.221 5.665 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.605 7.967 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.090 7.130 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.342 5.864 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.123 6.745 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.388 4.334 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.418 4.214 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.721 4.365 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.932 5.777 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.892 5.807 0.373 1.00 0.00 H new ATOM 915 N ALA A 110 6.276 6.596 6.070 1.00 0.00 N ATOM 916 CA ALA A 110 5.781 5.989 7.276 1.00 0.00 C ATOM 917 C ALA A 110 5.524 4.557 6.967 1.00 0.00 C ATOM 918 O ALA A 110 4.715 4.232 6.100 1.00 0.00 O ATOM 919 CB ALA A 110 4.536 6.558 7.954 1.00 0.00 C ATOM 0 H ALA A 110 5.562 6.997 5.462 1.00 0.00 H new ATOM 0 HA ALA A 110 6.563 6.193 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.310 5.976 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.716 7.596 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.692 6.509 7.266 1.00 0.00 H new ATOM 925 N ARG A 111 6.241 3.656 7.664 1.00 0.00 N ATOM 926 CA ARG A 111 6.242 2.294 7.269 1.00 0.00 C ATOM 927 C ARG A 111 5.146 1.634 8.017 1.00 0.00 C ATOM 928 O ARG A 111 4.879 1.953 9.175 1.00 0.00 O ATOM 929 CB ARG A 111 7.575 1.695 7.677 1.00 0.00 C ATOM 930 CG ARG A 111 7.905 0.393 6.962 1.00 0.00 C ATOM 931 CD ARG A 111 7.286 -0.812 7.655 1.00 0.00 C ATOM 932 NE ARG A 111 8.160 -1.990 7.376 1.00 0.00 N ATOM 933 CZ ARG A 111 7.746 -3.249 7.687 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.493 -3.476 8.135 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.567 -4.302 7.472 1.00 0.00 N ATOM 0 H ARG A 111 6.808 3.871 8.484 1.00 0.00 H new ATOM 0 HA ARG A 111 6.101 2.171 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.365 2.419 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.570 1.517 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.547 0.443 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.987 0.269 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.208 -0.638 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.276 -0.989 7.286 1.00 0.00 H new ATOM 0 HE ARG A 111 9.075 -1.850 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.842 -2.699 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.197 -4.425 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.496 -4.152 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.258 -5.246 7.705 1.00 0.00 H new ATOM 949 N LEU A 112 4.479 0.695 7.340 1.00 0.00 N ATOM 950 CA LEU A 112 3.226 0.203 7.819 1.00 0.00 C ATOM 951 C LEU A 112 3.387 -1.252 8.093 1.00 0.00 C ATOM 952 O LEU A 112 4.464 -1.721 8.459 1.00 0.00 O ATOM 953 CB LEU A 112 2.125 0.368 6.771 1.00 0.00 C ATOM 954 CG LEU A 112 1.974 1.802 6.266 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.973 1.928 5.120 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.561 2.776 7.366 1.00 0.00 C ATOM 0 H LEU A 112 4.799 0.276 6.467 1.00 0.00 H new ATOM 0 HA LEU A 112 2.944 0.762 8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.338 -0.286 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.177 0.039 7.197 1.00 0.00 H new ATOM 0 HG LEU A 112 2.968 2.064 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.910 2.970 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.301 1.314 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.008 1.590 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.469 3.779 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.603 2.468 7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.316 2.778 8.152 1.00 0.00 H new ATOM 968 N ASP A 113 2.280 -2.000 7.949 1.00 0.00 N ATOM 969 CA ASP A 113 2.311 -3.412 8.192 1.00 0.00 C ATOM 970 C ASP A 113 1.720 -4.089 7.002 1.00 0.00 C ATOM 971 O ASP A 113 0.826 -3.589 6.355 1.00 0.00 O ATOM 972 CB ASP A 113 1.566 -3.848 9.462 1.00 0.00 C ATOM 973 CG ASP A 113 1.982 -5.274 9.795 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.149 -5.460 10.226 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.172 -6.199 9.523 1.00 0.00 O ATOM 0 H ASP A 113 1.370 -1.634 7.667 1.00 0.00 H new ATOM 0 HA ASP A 113 3.351 -3.697 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.804 -3.180 10.290 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.488 -3.793 9.308 1.00 0.00 H new ATOM 980 N TRP A 114 2.178 -5.320 6.712 1.00 0.00 N ATOM 981 CA TRP A 114 1.683 -6.043 5.588 1.00 0.00 C ATOM 982 C TRP A 114 0.309 -6.556 5.908 1.00 0.00 C ATOM 983 O TRP A 114 -0.401 -7.039 5.031 1.00 0.00 O ATOM 984 CB TRP A 114 2.624 -7.210 5.245 1.00 0.00 C ATOM 985 CG TRP A 114 3.542 -6.923 4.081 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.863 -7.209 3.888 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.112 -6.205 2.925 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.280 -6.693 2.678 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.208 -6.074 2.069 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.871 -5.735 2.626 1.00 0.00 C ATOM 991 CZ2 TRP A 114 4.012 -5.465 0.850 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.718 -5.058 1.432 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.728 -5.068 0.505 1.00 0.00 C ATOM 0 H TRP A 114 2.888 -5.811 7.255 1.00 0.00 H new ATOM 0 HA TRP A 114 1.634 -5.383 4.722 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.226 -7.450 6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.027 -8.093 5.017 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.488 -7.757 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.224 -6.758 2.297 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.038 -5.885 3.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.840 -5.300 0.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.803 -4.521 1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.521 -4.762 -0.510 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.153 -6.344 7.152 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.505 -6.668 7.486 1.00 0.00 C ATOM 1006 C ASN A 115 -2.185 -5.390 7.855 1.00 0.00 C ATOM 1007 O ASN A 115 -3.190 -5.399 8.567 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.561 -7.551 8.740 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.616 -8.624 8.530 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.298 -9.795 8.320 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.902 -8.215 8.597 1.00 0.00 N ATOM 0 H ASN A 115 0.399 -5.955 7.916 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.966 -7.182 6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.589 -8.007 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.803 -6.949 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.658 -8.888 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.116 -7.234 8.773 1.00 0.00 H new ATOM 1018 N THR A 116 -1.645 -4.240 7.396 1.00 0.00 N ATOM 1019 CA THR A 116 -2.080 -2.993 7.945 1.00 0.00 C ATOM 1020 C THR A 116 -3.510 -2.748 7.518 1.00 0.00 C ATOM 1021 O THR A 116 -3.962 -3.205 6.467 1.00 0.00 O ATOM 1022 CB THR A 116 -1.111 -1.792 7.844 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.454 -1.591 9.087 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.777 -0.427 7.648 1.00 0.00 C ATOM 0 H THR A 116 -0.932 -4.175 6.670 1.00 0.00 H new ATOM 0 HA THR A 116 -2.058 -3.092 9.030 1.00 0.00 H new ATOM 0 HB THR A 116 -0.484 -2.060 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.034 -0.742 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.011 0.346 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.357 -0.434 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.438 -0.220 8.490 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.283 -2.086 8.394 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.651 -1.757 8.103 1.00 0.00 C ATOM 1034 C ASP A 117 -5.630 -0.641 7.103 1.00 0.00 C ATOM 1035 O ASP A 117 -5.727 0.520 7.481 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.387 -1.285 9.373 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.867 -1.132 9.054 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.505 -2.159 8.701 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.369 0.021 9.140 1.00 0.00 O ATOM 0 H ASP A 117 -3.963 -1.775 9.311 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.173 -2.634 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.247 -2.005 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.975 -0.336 9.717 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.649 -1.020 5.807 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.576 -0.078 4.716 1.00 0.00 C ATOM 1046 C ALA A 118 -6.838 0.728 4.707 1.00 0.00 C ATOM 1047 O ALA A 118 -6.894 1.813 4.136 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.623 -1.046 3.515 1.00 0.00 C ATOM 0 H ALA A 118 -5.716 -1.993 5.508 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.726 0.604 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.576 -0.477 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.775 -1.729 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.551 -1.617 3.544 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.849 0.270 5.465 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.107 0.953 5.529 1.00 0.00 C ATOM 1056 C ALA A 119 -8.971 2.094 6.497 1.00 0.00 C ATOM 1057 O ALA A 119 -9.881 2.906 6.643 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.874 -0.190 6.219 1.00 0.00 C ATOM 0 H ALA A 119 -7.797 -0.574 6.035 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.521 1.358 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.909 0.112 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.849 -1.078 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.408 -0.414 7.178 1.00 0.00 H new ATOM 1064 N SER A 120 -7.793 2.219 7.142 1.00 0.00 N ATOM 1065 CA SER A 120 -7.554 3.330 8.019 1.00 0.00 C ATOM 1066 C SER A 120 -6.653 4.286 7.292 1.00 0.00 C ATOM 1067 O SER A 120 -6.530 5.449 7.670 1.00 0.00 O ATOM 1068 CB SER A 120 -6.873 2.935 9.337 1.00 0.00 C ATOM 1069 OG SER A 120 -7.784 2.227 10.168 1.00 0.00 O ATOM 0 H SER A 120 -7.017 1.562 7.059 1.00 0.00 H new ATOM 0 HA SER A 120 -8.519 3.764 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.000 2.316 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.517 3.827 9.853 1.00 0.00 H new ATOM 0 HG SER A 120 -7.980 1.354 9.769 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.990 3.797 6.224 1.00 0.00 N ATOM 1076 CA LEU A 121 -5.152 4.642 5.415 1.00 0.00 C ATOM 1077 C LEU A 121 -5.938 4.965 4.207 1.00 0.00 C ATOM 1078 O LEU A 121 -5.396 5.381 3.185 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.873 3.941 4.942 1.00 0.00 C ATOM 1080 CG LEU A 121 -3.073 3.311 6.081 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.192 4.095 7.390 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.531 1.892 6.395 1.00 0.00 C ATOM 0 H LEU A 121 -6.032 2.824 5.920 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.858 5.509 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.136 3.167 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.243 4.662 4.420 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.044 3.319 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.604 3.602 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.820 5.109 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.237 4.133 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.932 1.488 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.581 1.905 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.409 1.266 5.511 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.247 4.705 4.309 1.00 0.00 N ATOM 1095 CA ILE A 122 -8.129 4.858 3.191 1.00 0.00 C ATOM 1096 C ILE A 122 -8.146 6.304 2.801 1.00 0.00 C ATOM 1097 O ILE A 122 -8.235 7.200 3.639 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.551 4.346 3.465 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -10.189 3.642 2.268 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.539 5.404 3.991 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.813 2.167 2.141 1.00 0.00 C ATOM 0 H ILE A 122 -7.701 4.388 5.166 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.753 4.243 2.373 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.379 3.625 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.273 3.724 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.895 4.161 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.514 4.943 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -10.169 5.811 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.634 6.208 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.306 1.740 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.733 2.075 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -10.132 1.632 3.036 1.00 0.00 H new ATOM 1113 N GLY A 123 -8.011 6.537 1.487 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.083 7.869 0.948 1.00 0.00 C ATOM 1115 C GLY A 123 -6.751 8.530 1.159 1.00 0.00 C ATOM 1116 O GLY A 123 -6.682 9.707 1.504 1.00 0.00 O ATOM 0 H GLY A 123 -7.852 5.808 0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.328 7.837 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.872 8.437 1.441 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.652 7.788 0.919 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.345 8.340 1.111 1.00 0.00 C ATOM 1122 C GLU A 124 -3.504 7.870 -0.037 1.00 0.00 C ATOM 1123 O GLU A 124 -3.989 7.214 -0.959 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.675 7.840 2.402 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.509 8.080 3.669 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.938 9.283 4.406 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.656 10.323 3.751 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.649 9.146 5.626 1.00 0.00 O ATOM 0 H GLU A 124 -5.667 6.820 0.597 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.434 9.424 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.476 6.773 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.711 8.335 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.552 8.257 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.486 7.198 4.309 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.191 8.151 0.035 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.266 7.641 -0.935 1.00 0.00 C ATOM 1137 C GLU A 125 -0.426 6.623 -0.244 1.00 0.00 C ATOM 1138 O GLU A 125 0.000 6.830 0.894 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.312 8.710 -1.497 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.807 9.334 -2.804 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.797 10.849 -2.652 1.00 0.00 C ATOM 1142 OE1 GLU A 125 0.291 11.410 -2.358 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -1.880 11.461 -2.870 1.00 0.00 O ATOM 0 H GLU A 125 -1.768 8.729 0.761 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.846 7.246 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.180 9.496 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.667 8.262 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.167 9.033 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.813 8.983 -3.034 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.130 5.512 -0.949 1.00 0.00 N ATOM 1151 CA LEU A 126 0.757 4.530 -0.408 1.00 0.00 C ATOM 1152 C LEU A 126 1.767 4.190 -1.452 1.00 0.00 C ATOM 1153 O LEU A 126 1.571 4.432 -2.640 1.00 0.00 O ATOM 1154 CB LEU A 126 0.059 3.248 0.045 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.413 3.310 1.497 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.843 3.795 1.657 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.119 2.032 2.281 1.00 0.00 C ATOM 0 H LEU A 126 -0.498 5.298 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 126 1.213 4.963 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.797 3.058 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.742 2.407 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 126 0.199 4.085 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.105 3.812 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.935 4.800 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.517 3.122 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.479 2.142 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.624 1.190 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.956 1.851 2.292 1.00 0.00 H new ATOM 1169 N GLN A 127 2.906 3.639 -0.995 1.00 0.00 N ATOM 1170 CA GLN A 127 3.987 3.318 -1.880 1.00 0.00 C ATOM 1171 C GLN A 127 4.588 2.049 -1.371 1.00 0.00 C ATOM 1172 O GLN A 127 4.417 1.699 -0.206 1.00 0.00 O ATOM 1173 CB GLN A 127 5.097 4.389 -1.887 1.00 0.00 C ATOM 1174 CG GLN A 127 6.006 4.345 -3.127 1.00 0.00 C ATOM 1175 CD GLN A 127 7.435 4.642 -2.695 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.787 5.790 -2.416 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.308 3.603 -2.711 1.00 0.00 N ATOM 0 H GLN A 127 3.080 3.415 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 127 3.596 3.245 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.636 5.375 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.711 4.266 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.951 3.365 -3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.675 5.076 -3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.981 2.666 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.291 3.759 -2.487 1.00 0.00 H new ATOM 1186 N VAL A 128 5.306 1.327 -2.247 1.00 0.00 N ATOM 1187 CA VAL A 128 5.978 0.135 -1.826 1.00 0.00 C ATOM 1188 C VAL A 128 7.431 0.333 -2.110 1.00 0.00 C ATOM 1189 O VAL A 128 7.800 1.023 -3.057 1.00 0.00 O ATOM 1190 CB VAL A 128 5.465 -1.129 -2.533 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.387 -2.345 -2.384 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.104 -1.604 -2.009 1.00 0.00 C ATOM 0 H VAL A 128 5.422 1.562 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 128 5.788 -0.025 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 128 5.410 -0.805 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.955 -3.196 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.365 -2.114 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.498 -2.590 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.799 -2.500 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.182 -1.831 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.362 -0.819 -2.159 1.00 0.00 H new ATOM 1202 N ASP A 129 8.288 -0.253 -1.254 1.00 0.00 N ATOM 1203 CA ASP A 129 9.704 -0.107 -1.412 1.00 0.00 C ATOM 1204 C ASP A 129 10.311 -1.428 -1.057 1.00 0.00 C ATOM 1205 O ASP A 129 9.608 -2.414 -0.854 1.00 0.00 O ATOM 1206 CB ASP A 129 10.269 0.967 -0.460 1.00 0.00 C ATOM 1207 CG ASP A 129 11.017 1.997 -1.292 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.972 1.592 -2.004 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.628 3.196 -1.236 1.00 0.00 O ATOM 0 H ASP A 129 8.004 -0.824 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 129 9.933 0.198 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.462 1.443 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.937 0.512 0.272 1.00 0.00 H new ATOM 1214 N PHE A 130 11.653 -1.470 -0.921 1.00 0.00 N ATOM 1215 CA PHE A 130 12.310 -2.691 -0.552 1.00 0.00 C ATOM 1216 C PHE A 130 12.075 -2.906 0.919 1.00 0.00 C ATOM 1217 O PHE A 130 11.544 -2.038 1.610 1.00 0.00 O ATOM 1218 CB PHE A 130 13.823 -2.692 -0.843 1.00 0.00 C ATOM 1219 CG PHE A 130 14.353 -1.322 -0.569 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.768 -0.953 0.702 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.480 -0.383 -1.601 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.260 0.318 0.949 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.971 0.885 -1.351 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.358 1.237 -0.073 1.00 0.00 C ATOM 0 H PHE A 130 12.274 -0.673 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 130 11.891 -3.496 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.330 -3.427 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.010 -2.972 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.707 -1.667 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.190 -0.653 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.568 0.590 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.052 1.601 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.736 2.229 0.125 1.00 0.00 H new