USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 848 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 49 SER OG : rot 146:sc= -2.75! USER MOD Set 1.2: A 63 GLN : amide:sc= -3.07! C(o=-5.8!,f=-14!) USER MOD Single : A 17 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.8!) USER MOD Single : A 22 GLN : amide:sc= -0.349 K(o=-0.35,f=-3.4!) USER MOD Single : A 26 GLN : amide:sc= -0.998 K(o=-1,f=-0.35) USER MOD Single : A 32 TYR OH : rot 53:sc= -2.18! USER MOD Single : A 33 ASN : amide:sc= -3.6! C(o=-3.6!,f=-5!) USER MOD Single : A 36 SER OG : rot 108:sc= -1.47! USER MOD Single : A 37 ASN : amide:sc= -4.21! C(o=-4.2!,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.67! USER MOD Single : A 41 SER OG : rot 180:sc= -1.16 USER MOD Single : A 42 SER OG : rot 170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.39) USER MOD Single : A 56 SER OG : rot -93:sc= 0.0257 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -80:sc= -3.15! USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 79 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.63) USER MOD Single : A 80 SER OG : rot 180:sc= -0.012 USER MOD Single : A 84 HIS : no HD1:sc= -6.65! C(o=-6.6!,f=-5.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 157:sc= -1.34 USER MOD Single : A 101 SER OG : rot 130:sc= -4.2! USER MOD Single : A 106 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.6!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 54:sc= 0.0571 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -11.190 9.861 21.311 1.00 0.00 N ATOM 2 CA GLY A 9 -11.423 10.453 19.963 1.00 0.00 C ATOM 3 C GLY A 9 -10.117 10.440 19.167 1.00 0.00 C ATOM 4 O GLY A 9 -9.143 9.831 19.562 1.00 0.00 O ATOM 0 HA2 GLY A 9 -12.190 9.887 19.433 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.791 11.474 20.061 1.00 0.00 H new ATOM 7 N ALA A 10 -10.087 11.110 18.048 1.00 0.00 N ATOM 8 CA ALA A 10 -8.842 11.137 17.229 1.00 0.00 C ATOM 9 C ALA A 10 -8.622 9.763 16.591 1.00 0.00 C ATOM 10 O ALA A 10 -9.204 8.783 17.014 1.00 0.00 O ATOM 11 CB ALA A 10 -7.650 11.482 18.124 1.00 0.00 C ATOM 0 H ALA A 10 -10.870 11.640 17.665 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.937 11.890 16.446 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.739 11.502 17.525 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.807 12.460 18.578 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.553 10.730 18.907 1.00 0.00 H new ATOM 17 N PRO A 11 -7.784 9.736 15.589 1.00 0.00 N ATOM 18 CA PRO A 11 -7.438 8.496 14.838 1.00 0.00 C ATOM 19 C PRO A 11 -6.369 7.694 15.586 1.00 0.00 C ATOM 20 O PRO A 11 -5.709 8.200 16.472 1.00 0.00 O ATOM 21 CB PRO A 11 -6.896 9.033 13.520 1.00 0.00 C ATOM 22 CG PRO A 11 -6.401 10.451 13.784 1.00 0.00 C ATOM 23 CD PRO A 11 -7.070 10.946 15.071 1.00 0.00 C ATOM 0 HA PRO A 11 -8.281 7.818 14.708 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.085 8.404 13.152 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.673 9.032 12.755 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.316 10.464 13.887 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.649 11.105 12.948 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.336 11.315 15.787 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.762 11.765 14.873 1.00 0.00 H new ATOM 31 N VAL A 12 -6.198 6.447 15.241 1.00 0.00 N ATOM 32 CA VAL A 12 -5.187 5.610 15.922 1.00 0.00 C ATOM 33 C VAL A 12 -3.993 5.409 14.985 1.00 0.00 C ATOM 34 O VAL A 12 -4.003 4.509 14.170 1.00 0.00 O ATOM 35 CB VAL A 12 -5.820 4.248 16.216 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.738 3.292 16.695 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.920 4.365 17.283 1.00 0.00 C ATOM 0 H VAL A 12 -6.725 5.973 14.507 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.855 6.087 16.844 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.278 3.870 15.302 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.180 2.319 16.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.979 3.185 15.921 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.279 3.687 17.601 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.351 3.382 17.471 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.491 4.755 18.206 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.699 5.041 16.930 1.00 0.00 H new ATOM 47 N PRO A 13 -2.995 6.242 15.124 1.00 0.00 N ATOM 48 CA PRO A 13 -1.763 6.170 14.283 1.00 0.00 C ATOM 49 C PRO A 13 -0.932 4.949 14.666 1.00 0.00 C ATOM 50 O PRO A 13 -1.021 4.438 15.764 1.00 0.00 O ATOM 51 CB PRO A 13 -1.038 7.471 14.604 1.00 0.00 C ATOM 52 CG PRO A 13 -1.540 7.926 15.966 1.00 0.00 C ATOM 53 CD PRO A 13 -2.949 7.353 16.134 1.00 0.00 C ATOM 0 HA PRO A 13 -1.966 6.064 13.217 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.041 7.319 14.620 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.242 8.226 13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.882 7.571 16.759 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.556 9.014 16.028 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.115 6.983 17.146 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.714 8.105 15.940 1.00 0.00 H new ATOM 61 N VAL A 14 -0.148 4.463 13.751 1.00 0.00 N ATOM 62 CA VAL A 14 0.669 3.255 14.031 1.00 0.00 C ATOM 63 C VAL A 14 2.111 3.646 14.363 1.00 0.00 C ATOM 64 O VAL A 14 2.579 4.718 14.037 1.00 0.00 O ATOM 65 CB VAL A 14 0.631 2.350 12.790 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.913 1.520 12.664 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.577 1.416 12.892 1.00 0.00 C ATOM 0 H VAL A 14 -0.037 4.853 12.815 1.00 0.00 H new ATOM 0 HA VAL A 14 0.263 2.725 14.892 1.00 0.00 H new ATOM 0 HB VAL A 14 0.550 2.980 11.904 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.853 0.891 11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.771 2.187 12.580 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.028 0.891 13.547 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.612 0.770 12.015 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.489 0.805 13.790 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.491 2.008 12.944 1.00 0.00 H new ATOM 77 N ASP A 15 2.807 2.757 15.006 1.00 0.00 N ATOM 78 CA ASP A 15 4.226 3.009 15.380 1.00 0.00 C ATOM 79 C ASP A 15 4.928 1.662 15.555 1.00 0.00 C ATOM 80 O ASP A 15 4.308 0.618 15.509 1.00 0.00 O ATOM 81 CB ASP A 15 4.300 3.794 16.696 1.00 0.00 C ATOM 82 CG ASP A 15 2.970 4.508 16.959 1.00 0.00 C ATOM 83 OD1 ASP A 15 1.976 3.821 17.129 1.00 0.00 O ATOM 84 OD2 ASP A 15 2.970 5.727 16.985 1.00 0.00 O ATOM 0 H ASP A 15 2.447 1.847 15.295 1.00 0.00 H new ATOM 0 HA ASP A 15 4.710 3.593 14.597 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.527 3.117 17.520 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.110 4.522 16.649 1.00 0.00 H new ATOM 89 N GLU A 16 6.211 1.678 15.758 1.00 0.00 N ATOM 90 CA GLU A 16 6.956 0.395 15.941 1.00 0.00 C ATOM 91 C GLU A 16 6.669 -0.567 14.774 1.00 0.00 C ATOM 92 O GLU A 16 6.917 -1.753 14.874 1.00 0.00 O ATOM 93 CB GLU A 16 6.521 -0.258 17.254 1.00 0.00 C ATOM 94 CG GLU A 16 7.726 -0.937 17.909 1.00 0.00 C ATOM 95 CD GLU A 16 7.394 -2.402 18.196 1.00 0.00 C ATOM 96 OE1 GLU A 16 7.355 -3.174 17.253 1.00 0.00 O ATOM 97 OE2 GLU A 16 7.186 -2.728 19.353 1.00 0.00 O ATOM 0 H GLU A 16 6.782 2.522 15.806 1.00 0.00 H new ATOM 0 HA GLU A 16 8.025 0.608 15.965 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.104 0.493 17.925 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.735 -0.990 17.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.594 -0.872 17.253 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.987 -0.424 18.835 1.00 0.00 H new ATOM 104 N ASN A 17 6.152 -0.065 13.676 1.00 0.00 N ATOM 105 CA ASN A 17 5.847 -0.931 12.494 1.00 0.00 C ATOM 106 C ASN A 17 4.447 -1.523 12.630 1.00 0.00 C ATOM 107 O ASN A 17 3.728 -1.676 11.662 1.00 0.00 O ATOM 108 CB ASN A 17 6.876 -2.061 12.379 1.00 0.00 C ATOM 109 CG ASN A 17 8.274 -1.511 12.667 1.00 0.00 C ATOM 110 OD1 ASN A 17 9.093 -2.181 13.264 1.00 0.00 O ATOM 111 ND2 ASN A 17 8.586 -0.309 12.263 1.00 0.00 N ATOM 0 H ASN A 17 5.926 0.921 13.549 1.00 0.00 H new ATOM 0 HA ASN A 17 5.894 -0.319 11.594 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.636 -2.859 13.082 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.844 -2.496 11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.516 0.066 12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.900 0.255 11.762 1.00 0.00 H new ATOM 118 N ASP A 18 4.063 -1.859 13.821 1.00 0.00 N ATOM 119 CA ASP A 18 2.713 -2.447 14.037 1.00 0.00 C ATOM 120 C ASP A 18 2.438 -3.478 12.950 1.00 0.00 C ATOM 121 O ASP A 18 1.886 -3.170 11.912 1.00 0.00 O ATOM 122 CB ASP A 18 1.648 -1.355 13.976 1.00 0.00 C ATOM 123 CG ASP A 18 1.708 -0.509 15.251 1.00 0.00 C ATOM 124 OD1 ASP A 18 2.544 -0.797 16.091 1.00 0.00 O ATOM 125 OD2 ASP A 18 0.913 0.410 15.365 1.00 0.00 O ATOM 0 H ASP A 18 4.628 -1.753 14.664 1.00 0.00 H new ATOM 0 HA ASP A 18 2.681 -2.920 15.018 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.808 -0.725 13.101 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.660 -1.802 13.870 1.00 0.00 H new ATOM 130 N GLU A 19 2.827 -4.698 13.182 1.00 0.00 N ATOM 131 CA GLU A 19 2.593 -5.770 12.168 1.00 0.00 C ATOM 132 C GLU A 19 1.213 -5.579 11.532 1.00 0.00 C ATOM 133 O GLU A 19 0.993 -5.923 10.388 1.00 0.00 O ATOM 134 CB GLU A 19 2.659 -7.138 12.847 1.00 0.00 C ATOM 135 CG GLU A 19 1.796 -7.121 14.112 1.00 0.00 C ATOM 136 CD GLU A 19 2.114 -8.348 14.966 1.00 0.00 C ATOM 137 OE1 GLU A 19 3.268 -8.746 14.989 1.00 0.00 O ATOM 138 OE2 GLU A 19 1.201 -8.869 15.585 1.00 0.00 O ATOM 0 H GLU A 19 3.299 -5.004 14.033 1.00 0.00 H new ATOM 0 HA GLU A 19 3.359 -5.712 11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.308 -7.912 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.691 -7.381 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.985 -6.211 14.681 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.740 -7.116 13.844 1.00 0.00 H new ATOM 145 N GLY A 20 0.284 -5.020 12.263 1.00 0.00 N ATOM 146 CA GLY A 20 -1.077 -4.796 11.693 1.00 0.00 C ATOM 147 C GLY A 20 -0.974 -3.773 10.560 1.00 0.00 C ATOM 148 O GLY A 20 -1.399 -4.016 9.448 1.00 0.00 O ATOM 0 H GLY A 20 0.408 -4.710 13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.489 -5.733 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.756 -4.436 12.466 1.00 0.00 H new ATOM 152 N LEU A 21 -0.403 -2.632 10.834 1.00 0.00 N ATOM 153 CA LEU A 21 -0.257 -1.598 9.773 1.00 0.00 C ATOM 154 C LEU A 21 0.459 -2.213 8.575 1.00 0.00 C ATOM 155 O LEU A 21 0.154 -1.916 7.439 1.00 0.00 O ATOM 156 CB LEU A 21 0.564 -0.425 10.312 1.00 0.00 C ATOM 157 CG LEU A 21 0.670 0.675 9.250 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.695 0.268 8.189 1.00 0.00 C ATOM 159 CD2 LEU A 21 -0.694 0.892 8.589 1.00 0.00 C ATOM 0 H LEU A 21 -0.031 -2.372 11.748 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.241 -1.239 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.097 -0.028 11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.560 -0.767 10.593 1.00 0.00 H new ATOM 0 HG LEU A 21 0.990 1.602 9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.769 1.052 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.668 0.124 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.380 -0.662 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.613 1.675 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.021 -0.034 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.421 1.190 9.344 1.00 0.00 H new ATOM 171 N GLN A 22 1.416 -3.070 8.815 1.00 0.00 N ATOM 172 CA GLN A 22 2.140 -3.698 7.676 1.00 0.00 C ATOM 173 C GLN A 22 1.163 -4.540 6.861 1.00 0.00 C ATOM 174 O GLN A 22 1.272 -4.638 5.658 1.00 0.00 O ATOM 175 CB GLN A 22 3.273 -4.581 8.203 1.00 0.00 C ATOM 176 CG GLN A 22 4.325 -3.708 8.888 1.00 0.00 C ATOM 177 CD GLN A 22 5.491 -4.584 9.352 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.291 -5.575 10.024 1.00 0.00 O ATOM 179 NE2 GLN A 22 6.711 -4.257 9.017 1.00 0.00 N ATOM 0 H GLN A 22 1.724 -3.359 9.743 1.00 0.00 H new ATOM 0 HA GLN A 22 2.565 -2.920 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.879 -5.314 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.726 -5.138 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.683 -2.943 8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.884 -3.189 9.739 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.879 -3.424 8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.495 -4.834 9.320 1.00 0.00 H new ATOM 188 N ARG A 23 0.203 -5.140 7.500 1.00 0.00 N ATOM 189 CA ARG A 23 -0.789 -5.955 6.749 1.00 0.00 C ATOM 190 C ARG A 23 -1.706 -5.006 5.970 1.00 0.00 C ATOM 191 O ARG A 23 -2.366 -5.393 5.028 1.00 0.00 O ATOM 192 CB ARG A 23 -1.620 -6.785 7.729 1.00 0.00 C ATOM 193 CG ARG A 23 -0.752 -7.900 8.314 1.00 0.00 C ATOM 194 CD ARG A 23 -1.124 -8.125 9.781 1.00 0.00 C ATOM 195 NE ARG A 23 -2.608 -8.187 9.913 1.00 0.00 N ATOM 196 CZ ARG A 23 -3.194 -9.326 10.164 1.00 0.00 C ATOM 197 NH1 ARG A 23 -3.573 -10.095 9.179 1.00 0.00 N ATOM 198 NH2 ARG A 23 -3.401 -9.695 11.398 1.00 0.00 N ATOM 0 H ARG A 23 0.061 -5.102 8.509 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.277 -6.629 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.002 -6.150 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.484 -7.211 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.894 -8.820 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.302 -7.635 8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.677 -9.051 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.727 -7.318 10.396 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.165 -7.339 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.411 -9.805 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.031 -10.985 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.105 -9.093 12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.859 -10.585 11.594 1.00 0.00 H new ATOM 212 N ALA A 24 -1.736 -3.759 6.361 1.00 0.00 N ATOM 213 CA ALA A 24 -2.594 -2.764 5.657 1.00 0.00 C ATOM 214 C ALA A 24 -1.893 -2.303 4.384 1.00 0.00 C ATOM 215 O ALA A 24 -2.427 -2.408 3.289 1.00 0.00 O ATOM 216 CB ALA A 24 -2.830 -1.559 6.570 1.00 0.00 C ATOM 0 H ALA A 24 -1.199 -3.386 7.144 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.550 -3.222 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.457 -0.831 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.327 -1.886 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.874 -1.101 6.822 1.00 0.00 H new ATOM 222 N LEU A 25 -0.696 -1.803 4.510 1.00 0.00 N ATOM 223 CA LEU A 25 0.032 -1.347 3.317 1.00 0.00 C ATOM 224 C LEU A 25 0.331 -2.546 2.433 1.00 0.00 C ATOM 225 O LEU A 25 0.356 -2.454 1.232 1.00 0.00 O ATOM 226 CB LEU A 25 1.322 -0.699 3.787 1.00 0.00 C ATOM 227 CG LEU A 25 2.180 -0.307 2.582 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.557 1.173 2.685 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.453 -1.156 2.566 1.00 0.00 C ATOM 0 H LEU A 25 -0.198 -1.694 5.393 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.555 -0.631 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.098 0.183 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.873 -1.388 4.427 1.00 0.00 H new ATOM 0 HG LEU A 25 1.617 -0.476 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.168 1.453 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.651 1.779 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.120 1.342 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.065 -0.878 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.016 -0.985 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.186 -2.210 2.495 1.00 0.00 H new ATOM 241 N GLN A 26 0.561 -3.671 3.021 1.00 0.00 N ATOM 242 CA GLN A 26 0.863 -4.881 2.207 1.00 0.00 C ATOM 243 C GLN A 26 -0.409 -5.401 1.524 1.00 0.00 C ATOM 244 O GLN A 26 -0.346 -6.093 0.527 1.00 0.00 O ATOM 245 CB GLN A 26 1.447 -5.973 3.106 1.00 0.00 C ATOM 246 CG GLN A 26 2.147 -7.024 2.239 1.00 0.00 C ATOM 247 CD GLN A 26 1.276 -8.279 2.156 1.00 0.00 C ATOM 248 OE1 GLN A 26 0.326 -8.323 1.400 1.00 0.00 O ATOM 249 NE2 GLN A 26 1.562 -9.308 2.905 1.00 0.00 N ATOM 0 H GLN A 26 0.555 -3.815 4.031 1.00 0.00 H new ATOM 0 HA GLN A 26 1.588 -4.613 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.154 -5.538 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.655 -6.438 3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.326 -6.626 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.120 -7.271 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.360 -9.271 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.988 -10.150 2.856 1.00 0.00 H new ATOM 258 N PHE A 27 -1.561 -5.076 2.043 1.00 0.00 N ATOM 259 CA PHE A 27 -2.827 -5.552 1.416 1.00 0.00 C ATOM 260 C PHE A 27 -3.101 -4.748 0.152 1.00 0.00 C ATOM 261 O PHE A 27 -3.230 -5.279 -0.941 1.00 0.00 O ATOM 262 CB PHE A 27 -3.954 -5.325 2.409 1.00 0.00 C ATOM 263 CG PHE A 27 -5.211 -6.055 2.001 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.307 -6.668 0.748 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.294 -6.101 2.888 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.486 -7.326 0.383 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.471 -6.754 2.522 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.569 -7.369 1.270 1.00 0.00 C ATOM 0 H PHE A 27 -1.681 -4.500 2.876 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.750 -6.608 1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.642 -5.662 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.162 -4.258 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.472 -6.633 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.218 -5.630 3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.561 -7.801 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.307 -6.785 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.479 -7.877 0.987 1.00 0.00 H new ATOM 278 N ALA A 28 -3.179 -3.466 0.296 1.00 0.00 N ATOM 279 CA ALA A 28 -3.444 -2.596 -0.881 1.00 0.00 C ATOM 280 C ALA A 28 -2.217 -2.568 -1.782 1.00 0.00 C ATOM 281 O ALA A 28 -2.311 -2.713 -2.984 1.00 0.00 O ATOM 282 CB ALA A 28 -3.752 -1.186 -0.394 1.00 0.00 C ATOM 0 H ALA A 28 -3.071 -2.974 1.183 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.292 -2.986 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.948 -0.540 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.629 -1.208 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.899 -0.800 0.165 1.00 0.00 H new ATOM 288 N ILE A 29 -1.067 -2.383 -1.211 1.00 0.00 N ATOM 289 CA ILE A 29 0.164 -2.351 -2.039 1.00 0.00 C ATOM 290 C ILE A 29 0.272 -3.662 -2.804 1.00 0.00 C ATOM 291 O ILE A 29 0.660 -3.699 -3.953 1.00 0.00 O ATOM 292 CB ILE A 29 1.396 -2.166 -1.133 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.531 -1.562 -1.944 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.846 -3.503 -0.567 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.961 -0.398 -2.724 1.00 0.00 C ATOM 0 H ILE A 29 -0.925 -2.253 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 29 0.119 -1.518 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 29 1.129 -1.504 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.335 -1.228 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.958 -2.304 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.717 -3.353 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.038 -3.940 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.106 -4.175 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.750 0.062 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.169 -0.754 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.553 0.339 -2.032 1.00 0.00 H new ATOM 307 N ALA A 30 -0.084 -4.736 -2.171 1.00 0.00 N ATOM 308 CA ALA A 30 -0.030 -6.046 -2.861 1.00 0.00 C ATOM 309 C ALA A 30 -0.911 -5.932 -4.097 1.00 0.00 C ATOM 310 O ALA A 30 -0.611 -6.462 -5.155 1.00 0.00 O ATOM 311 CB ALA A 30 -0.572 -7.140 -1.937 1.00 0.00 C ATOM 0 H ALA A 30 -0.410 -4.764 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 30 0.994 -6.304 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.530 -8.102 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.033 -7.184 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.605 -6.914 -1.672 1.00 0.00 H new ATOM 317 N GLU A 31 -2.000 -5.222 -3.969 1.00 0.00 N ATOM 318 CA GLU A 31 -2.908 -5.046 -5.129 1.00 0.00 C ATOM 319 C GLU A 31 -2.269 -4.109 -6.152 1.00 0.00 C ATOM 320 O GLU A 31 -2.565 -4.176 -7.327 1.00 0.00 O ATOM 321 CB GLU A 31 -4.243 -4.465 -4.660 1.00 0.00 C ATOM 322 CG GLU A 31 -4.972 -5.494 -3.793 1.00 0.00 C ATOM 323 CD GLU A 31 -6.185 -6.036 -4.554 1.00 0.00 C ATOM 324 OE1 GLU A 31 -5.990 -6.876 -5.418 1.00 0.00 O ATOM 325 OE2 GLU A 31 -7.285 -5.602 -4.261 1.00 0.00 O ATOM 0 H GLU A 31 -2.296 -4.758 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.083 -6.016 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.074 -3.550 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.857 -4.198 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.297 -6.310 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.292 -5.036 -2.857 1.00 0.00 H new ATOM 332 N TYR A 32 -1.385 -3.243 -5.735 1.00 0.00 N ATOM 333 CA TYR A 32 -0.747 -2.338 -6.716 1.00 0.00 C ATOM 334 C TYR A 32 0.211 -3.159 -7.578 1.00 0.00 C ATOM 335 O TYR A 32 0.239 -3.043 -8.788 1.00 0.00 O ATOM 336 CB TYR A 32 0.020 -1.251 -5.981 1.00 0.00 C ATOM 337 CG TYR A 32 -0.076 0.037 -6.757 1.00 0.00 C ATOM 338 CD1 TYR A 32 -1.321 0.488 -7.208 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.070 0.792 -7.011 1.00 0.00 C ATOM 340 CE1 TYR A 32 -1.417 1.682 -7.906 1.00 0.00 C ATOM 341 CE2 TYR A 32 0.977 1.989 -7.711 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.269 2.442 -8.161 1.00 0.00 C ATOM 343 OH TYR A 32 -0.366 3.629 -8.857 1.00 0.00 O ATOM 0 H TYR A 32 -1.084 -3.128 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.504 -1.869 -7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.387 -1.117 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.064 -1.542 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.209 -0.095 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.032 0.445 -6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.380 2.027 -8.254 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.866 2.570 -7.908 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.038 4.203 -8.433 1.00 0.00 H new ATOM 353 N ASN A 33 0.991 -4.001 -6.954 1.00 0.00 N ATOM 354 CA ASN A 33 1.948 -4.846 -7.716 1.00 0.00 C ATOM 355 C ASN A 33 1.182 -5.734 -8.703 1.00 0.00 C ATOM 356 O ASN A 33 1.546 -5.841 -9.858 1.00 0.00 O ATOM 357 CB ASN A 33 2.735 -5.725 -6.742 1.00 0.00 C ATOM 358 CG ASN A 33 3.499 -6.797 -7.522 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.902 -7.679 -8.109 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.802 -6.759 -7.554 1.00 0.00 N ATOM 0 H ASN A 33 1.004 -4.138 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 33 2.636 -4.206 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.431 -5.115 -6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.056 -6.194 -6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.320 -7.469 -8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.303 -6.019 -7.062 1.00 0.00 H new ATOM 367 N ARG A 34 0.127 -6.377 -8.268 1.00 0.00 N ATOM 368 CA ARG A 34 -0.636 -7.252 -9.204 1.00 0.00 C ATOM 369 C ARG A 34 -1.371 -6.390 -10.235 1.00 0.00 C ATOM 370 O ARG A 34 -1.842 -6.874 -11.244 1.00 0.00 O ATOM 371 CB ARG A 34 -1.647 -8.090 -8.413 1.00 0.00 C ATOM 372 CG ARG A 34 -2.510 -8.903 -9.383 1.00 0.00 C ATOM 373 CD ARG A 34 -2.421 -10.388 -9.024 1.00 0.00 C ATOM 374 NE ARG A 34 -2.752 -10.574 -7.583 1.00 0.00 N ATOM 375 CZ ARG A 34 -3.240 -11.711 -7.168 1.00 0.00 C ATOM 376 NH1 ARG A 34 -2.622 -12.827 -7.448 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.344 -11.734 -6.472 1.00 0.00 N ATOM 0 H ARG A 34 -0.234 -6.334 -7.315 1.00 0.00 H new ATOM 0 HA ARG A 34 0.056 -7.916 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.124 -8.758 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.278 -7.440 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.546 -8.567 -9.334 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.172 -8.745 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.109 -10.964 -9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.418 -10.763 -9.229 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.597 -9.813 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.759 -12.810 -7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.003 -13.716 -7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.826 -10.863 -6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.724 -12.623 -6.148 1.00 0.00 H new ATOM 391 N ALA A 35 -1.476 -5.115 -9.985 1.00 0.00 N ATOM 392 CA ALA A 35 -2.190 -4.221 -10.946 1.00 0.00 C ATOM 393 C ALA A 35 -1.227 -3.691 -12.017 1.00 0.00 C ATOM 394 O ALA A 35 -1.647 -3.156 -13.025 1.00 0.00 O ATOM 395 CB ALA A 35 -2.796 -3.041 -10.184 1.00 0.00 C ATOM 0 H ALA A 35 -1.100 -4.651 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.976 -4.795 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.318 -2.386 -10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.500 -3.412 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.003 -2.483 -9.687 1.00 0.00 H new ATOM 401 N SER A 36 0.054 -3.825 -11.814 1.00 0.00 N ATOM 402 CA SER A 36 1.025 -3.314 -12.827 1.00 0.00 C ATOM 403 C SER A 36 0.752 -3.959 -14.188 1.00 0.00 C ATOM 404 O SER A 36 1.107 -3.424 -15.219 1.00 0.00 O ATOM 405 CB SER A 36 2.448 -3.647 -12.384 1.00 0.00 C ATOM 406 OG SER A 36 3.371 -2.911 -13.173 1.00 0.00 O ATOM 0 H SER A 36 0.472 -4.265 -10.994 1.00 0.00 H new ATOM 0 HA SER A 36 0.911 -2.233 -12.914 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.579 -3.404 -11.330 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.633 -4.716 -12.490 1.00 0.00 H new ATOM 0 HG SER A 36 3.768 -2.198 -12.631 1.00 0.00 H new ATOM 412 N ASN A 37 0.124 -5.104 -14.201 1.00 0.00 N ATOM 413 CA ASN A 37 -0.174 -5.786 -15.495 1.00 0.00 C ATOM 414 C ASN A 37 1.085 -6.489 -16.015 1.00 0.00 C ATOM 415 O ASN A 37 2.000 -6.776 -15.269 1.00 0.00 O ATOM 416 CB ASN A 37 -0.645 -4.756 -16.524 1.00 0.00 C ATOM 417 CG ASN A 37 -1.512 -3.701 -15.834 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.426 -4.031 -15.107 1.00 0.00 O ATOM 419 ND2 ASN A 37 -1.258 -2.436 -16.031 1.00 0.00 N ATOM 0 H ASN A 37 -0.197 -5.599 -13.369 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.959 -6.525 -15.336 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.214 -4.282 -16.998 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.213 -5.249 -17.313 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.828 -1.724 -15.574 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.490 -2.159 -16.642 1.00 0.00 H new ATOM 426 N ASP A 38 1.131 -6.781 -17.290 1.00 0.00 N ATOM 427 CA ASP A 38 2.304 -7.474 -17.869 1.00 0.00 C ATOM 428 C ASP A 38 3.427 -6.474 -18.173 1.00 0.00 C ATOM 429 O ASP A 38 4.077 -6.555 -19.197 1.00 0.00 O ATOM 430 CB ASP A 38 1.837 -8.123 -19.159 1.00 0.00 C ATOM 431 CG ASP A 38 2.991 -8.889 -19.806 1.00 0.00 C ATOM 432 OD1 ASP A 38 3.903 -9.267 -19.088 1.00 0.00 O ATOM 433 OD2 ASP A 38 2.944 -9.085 -21.009 1.00 0.00 O ATOM 0 H ASP A 38 0.391 -6.562 -17.957 1.00 0.00 H new ATOM 0 HA ASP A 38 2.696 -8.212 -17.169 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.008 -8.801 -18.955 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.465 -7.362 -19.845 1.00 0.00 H new ATOM 438 N LYS A 39 3.666 -5.536 -17.297 1.00 0.00 N ATOM 439 CA LYS A 39 4.751 -4.544 -17.545 1.00 0.00 C ATOM 440 C LYS A 39 5.853 -4.730 -16.504 1.00 0.00 C ATOM 441 O LYS A 39 6.908 -5.264 -16.781 1.00 0.00 O ATOM 442 CB LYS A 39 4.182 -3.129 -17.432 1.00 0.00 C ATOM 443 CG LYS A 39 3.265 -2.850 -18.625 1.00 0.00 C ATOM 444 CD LYS A 39 4.101 -2.347 -19.804 1.00 0.00 C ATOM 445 CE LYS A 39 3.631 -0.947 -20.205 1.00 0.00 C ATOM 446 NZ LYS A 39 3.537 -0.860 -21.689 1.00 0.00 N ATOM 0 H LYS A 39 3.157 -5.414 -16.421 1.00 0.00 H new ATOM 0 HA LYS A 39 5.161 -4.694 -18.544 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.627 -3.022 -16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.993 -2.401 -17.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.730 -3.757 -18.906 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.514 -2.107 -18.355 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.156 -2.323 -19.531 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.005 -3.030 -20.648 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.661 -0.735 -19.756 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.327 -0.197 -19.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.218 0.091 -21.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.471 -1.045 -22.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.857 -1.566 -22.036 1.00 0.00 H new ATOM 460 N TYR A 40 5.611 -4.281 -15.309 1.00 0.00 N ATOM 461 CA TYR A 40 6.606 -4.398 -14.231 1.00 0.00 C ATOM 462 C TYR A 40 5.846 -4.416 -12.905 1.00 0.00 C ATOM 463 O TYR A 40 4.695 -4.800 -12.856 1.00 0.00 O ATOM 464 CB TYR A 40 7.547 -3.197 -14.330 1.00 0.00 C ATOM 465 CG TYR A 40 6.743 -1.941 -14.467 1.00 0.00 C ATOM 466 CD1 TYR A 40 6.081 -1.421 -13.353 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.651 -1.304 -15.704 1.00 0.00 C ATOM 468 CE1 TYR A 40 5.322 -0.257 -13.477 1.00 0.00 C ATOM 469 CE2 TYR A 40 5.893 -0.141 -15.832 1.00 0.00 C ATOM 470 CZ TYR A 40 5.225 0.386 -14.718 1.00 0.00 C ATOM 471 OH TYR A 40 4.473 1.537 -14.843 1.00 0.00 O ATOM 0 H TYR A 40 4.740 -3.827 -15.034 1.00 0.00 H new ATOM 0 HA TYR A 40 7.201 -5.308 -14.306 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.178 -3.142 -13.443 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.211 -3.312 -15.187 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.156 -1.919 -12.398 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.166 -1.711 -16.562 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.810 0.148 -12.617 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.820 0.354 -16.789 1.00 0.00 H new ATOM 0 HH TYR A 40 4.513 1.855 -15.769 1.00 0.00 H new ATOM 481 N SER A 41 6.463 -4.038 -11.832 1.00 0.00 N ATOM 482 CA SER A 41 5.745 -4.072 -10.526 1.00 0.00 C ATOM 483 C SER A 41 5.674 -2.674 -9.902 1.00 0.00 C ATOM 484 O SER A 41 6.575 -1.868 -10.040 1.00 0.00 O ATOM 485 CB SER A 41 6.481 -5.013 -9.572 1.00 0.00 C ATOM 486 OG SER A 41 7.613 -5.564 -10.230 1.00 0.00 O ATOM 0 H SER A 41 7.427 -3.708 -11.795 1.00 0.00 H new ATOM 0 HA SER A 41 4.729 -4.426 -10.698 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.794 -4.471 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.814 -5.810 -9.244 1.00 0.00 H new ATOM 0 HG SER A 41 8.086 -6.166 -9.618 1.00 0.00 H new ATOM 492 N SER A 42 4.609 -2.401 -9.190 1.00 0.00 N ATOM 493 CA SER A 42 4.460 -1.078 -8.516 1.00 0.00 C ATOM 494 C SER A 42 4.782 -1.271 -7.029 1.00 0.00 C ATOM 495 O SER A 42 4.304 -2.204 -6.413 1.00 0.00 O ATOM 496 CB SER A 42 3.018 -0.582 -8.668 1.00 0.00 C ATOM 497 OG SER A 42 2.626 -0.683 -10.030 1.00 0.00 O ATOM 0 H SER A 42 3.831 -3.045 -9.047 1.00 0.00 H new ATOM 0 HA SER A 42 5.132 -0.345 -8.962 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.350 -1.173 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.940 0.452 -8.331 1.00 0.00 H new ATOM 0 HG SER A 42 1.662 -0.522 -10.106 1.00 0.00 H new ATOM 503 N ARG A 43 5.600 -0.436 -6.437 1.00 0.00 N ATOM 504 CA ARG A 43 5.924 -0.658 -4.993 1.00 0.00 C ATOM 505 C ARG A 43 5.906 0.658 -4.214 1.00 0.00 C ATOM 506 O ARG A 43 5.856 1.728 -4.779 1.00 0.00 O ATOM 507 CB ARG A 43 7.316 -1.285 -4.884 1.00 0.00 C ATOM 508 CG ARG A 43 7.189 -2.809 -4.841 1.00 0.00 C ATOM 509 CD ARG A 43 7.403 -3.299 -3.409 1.00 0.00 C ATOM 510 NE ARG A 43 8.838 -3.649 -3.213 1.00 0.00 N ATOM 511 CZ ARG A 43 9.163 -4.725 -2.551 1.00 0.00 C ATOM 512 NH1 ARG A 43 8.612 -4.970 -1.393 1.00 0.00 N ATOM 513 NH2 ARG A 43 10.039 -5.557 -3.046 1.00 0.00 N ATOM 0 H ARG A 43 6.047 0.369 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 43 5.170 -1.321 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.929 -0.985 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.819 -0.926 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.205 -3.113 -5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.923 -3.264 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.106 -2.526 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.776 -4.168 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 43 9.567 -3.047 -3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.928 -4.320 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.866 -5.811 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.470 -5.366 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.293 -6.398 -2.528 1.00 0.00 H new ATOM 527 N VAL A 44 5.957 0.574 -2.909 1.00 0.00 N ATOM 528 CA VAL A 44 5.959 1.805 -2.070 1.00 0.00 C ATOM 529 C VAL A 44 7.084 2.718 -2.513 1.00 0.00 C ATOM 530 O VAL A 44 7.679 2.522 -3.551 1.00 0.00 O ATOM 531 CB VAL A 44 6.105 1.417 -0.602 1.00 0.00 C ATOM 532 CG1 VAL A 44 7.584 1.307 -0.226 1.00 0.00 C ATOM 533 CG2 VAL A 44 5.419 2.482 0.255 1.00 0.00 C ATOM 0 H VAL A 44 5.998 -0.302 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 44 5.018 2.342 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 44 5.639 0.447 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.673 1.030 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.061 0.546 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.074 2.267 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.515 2.219 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.889 3.449 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.363 2.538 -0.010 1.00 0.00 H new ATOM 543 N VAL A 45 7.348 3.743 -1.762 1.00 0.00 N ATOM 544 CA VAL A 45 8.397 4.691 -2.188 1.00 0.00 C ATOM 545 C VAL A 45 8.492 5.818 -1.169 1.00 0.00 C ATOM 546 O VAL A 45 9.501 6.019 -0.524 1.00 0.00 O ATOM 547 CB VAL A 45 7.958 5.194 -3.570 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.110 6.686 -3.760 1.00 0.00 C ATOM 549 CG2 VAL A 45 8.813 4.535 -4.596 1.00 0.00 C ATOM 0 H VAL A 45 6.886 3.962 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 45 9.387 4.239 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 45 6.899 4.955 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.779 6.961 -4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.505 7.210 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.157 6.964 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.520 4.877 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.857 4.791 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.689 3.454 -4.533 1.00 0.00 H new ATOM 559 N ARG A 46 7.439 6.544 -1.028 1.00 0.00 N ATOM 560 CA ARG A 46 7.422 7.671 -0.050 1.00 0.00 C ATOM 561 C ARG A 46 6.129 7.639 0.776 1.00 0.00 C ATOM 562 O ARG A 46 5.166 8.307 0.459 1.00 0.00 O ATOM 563 CB ARG A 46 7.509 8.999 -0.806 1.00 0.00 C ATOM 564 CG ARG A 46 8.367 9.983 -0.009 1.00 0.00 C ATOM 565 CD ARG A 46 9.412 10.612 -0.930 1.00 0.00 C ATOM 566 NE ARG A 46 8.879 11.885 -1.491 1.00 0.00 N ATOM 567 CZ ARG A 46 9.685 12.883 -1.726 1.00 0.00 C ATOM 568 NH1 ARG A 46 10.542 12.811 -2.707 1.00 0.00 N ATOM 569 NH2 ARG A 46 9.635 13.952 -0.980 1.00 0.00 N ATOM 0 H ARG A 46 6.572 6.413 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 46 8.274 7.570 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.941 8.840 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.511 9.410 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.738 10.759 0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.858 9.468 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.332 10.803 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.662 9.923 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 46 7.883 11.976 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.581 11.975 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.173 13.591 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.965 14.007 -0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.266 14.732 -1.164 1.00 0.00 H new ATOM 583 N VAL A 47 6.104 6.883 1.844 1.00 0.00 N ATOM 584 CA VAL A 47 4.882 6.830 2.694 1.00 0.00 C ATOM 585 C VAL A 47 4.424 8.253 2.987 1.00 0.00 C ATOM 586 O VAL A 47 5.151 9.204 2.777 1.00 0.00 O ATOM 587 CB VAL A 47 5.210 6.075 3.977 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.371 6.597 5.141 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.923 4.586 3.775 1.00 0.00 C ATOM 0 H VAL A 47 6.879 6.301 2.162 1.00 0.00 H new ATOM 0 HA VAL A 47 4.073 6.308 2.184 1.00 0.00 H new ATOM 0 HB VAL A 47 6.264 6.226 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.621 6.044 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.579 7.656 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.313 6.464 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.157 4.043 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.870 4.448 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.538 4.204 2.960 1.00 0.00 H new ATOM 599 N ILE A 48 3.214 8.417 3.437 1.00 0.00 N ATOM 600 CA ILE A 48 2.715 9.780 3.698 1.00 0.00 C ATOM 601 C ILE A 48 1.770 9.732 4.886 1.00 0.00 C ATOM 602 O ILE A 48 1.911 10.461 5.848 1.00 0.00 O ATOM 603 CB ILE A 48 1.955 10.209 2.453 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.942 10.711 1.396 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.954 11.321 2.786 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.255 10.735 0.028 1.00 0.00 C ATOM 0 H ILE A 48 2.555 7.664 3.633 1.00 0.00 H new ATOM 0 HA ILE A 48 3.524 10.476 3.919 1.00 0.00 H new ATOM 0 HB ILE A 48 1.407 9.349 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.293 11.709 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.818 10.063 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.421 11.613 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.241 10.959 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.488 12.183 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.957 11.092 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.925 9.729 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.393 11.401 0.065 1.00 0.00 H new ATOM 618 N SER A 49 0.798 8.876 4.814 1.00 0.00 N ATOM 619 CA SER A 49 -0.177 8.773 5.935 1.00 0.00 C ATOM 620 C SER A 49 -0.515 7.308 6.209 1.00 0.00 C ATOM 621 O SER A 49 -1.131 6.639 5.404 1.00 0.00 O ATOM 622 CB SER A 49 -1.455 9.528 5.569 1.00 0.00 C ATOM 623 OG SER A 49 -1.117 10.723 4.880 1.00 0.00 O ATOM 0 H SER A 49 0.633 8.243 4.032 1.00 0.00 H new ATOM 0 HA SER A 49 0.266 9.209 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.093 8.903 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.022 9.763 6.470 1.00 0.00 H new ATOM 0 HG SER A 49 -1.804 10.919 4.209 1.00 0.00 H new ATOM 629 N ALA A 50 -0.129 6.812 7.351 1.00 0.00 N ATOM 630 CA ALA A 50 -0.438 5.399 7.696 1.00 0.00 C ATOM 631 C ALA A 50 -1.112 5.370 9.076 1.00 0.00 C ATOM 632 O ALA A 50 -0.479 5.600 10.088 1.00 0.00 O ATOM 633 CB ALA A 50 0.856 4.584 7.738 1.00 0.00 C ATOM 0 H ALA A 50 0.389 7.328 8.062 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.102 4.968 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.626 3.549 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.340 4.620 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.525 5.002 8.491 1.00 0.00 H new ATOM 639 N LYS A 51 -2.394 5.114 9.128 1.00 0.00 N ATOM 640 CA LYS A 51 -3.105 5.100 10.444 1.00 0.00 C ATOM 641 C LYS A 51 -4.384 4.285 10.324 1.00 0.00 C ATOM 642 O LYS A 51 -4.741 3.820 9.263 1.00 0.00 O ATOM 643 CB LYS A 51 -3.462 6.536 10.836 1.00 0.00 C ATOM 644 CG LYS A 51 -4.175 7.222 9.667 1.00 0.00 C ATOM 645 CD LYS A 51 -3.987 8.735 9.773 1.00 0.00 C ATOM 646 CE LYS A 51 -5.355 9.421 9.780 1.00 0.00 C ATOM 647 NZ LYS A 51 -5.323 10.605 8.875 1.00 0.00 N ATOM 0 H LYS A 51 -2.980 4.914 8.317 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.459 4.656 11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.104 6.535 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.559 7.087 11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.774 6.860 8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.237 6.975 9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.440 8.981 10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.391 9.098 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.126 8.722 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.613 9.731 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.253 11.071 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.598 11.274 9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.095 10.297 7.908 1.00 0.00 H new ATOM 661 N ARG A 52 -5.077 4.116 11.407 1.00 0.00 N ATOM 662 CA ARG A 52 -6.349 3.341 11.360 1.00 0.00 C ATOM 663 C ARG A 52 -7.394 4.006 12.281 1.00 0.00 C ATOM 664 O ARG A 52 -7.439 3.769 13.472 1.00 0.00 O ATOM 665 CB ARG A 52 -6.088 1.886 11.746 1.00 0.00 C ATOM 666 CG ARG A 52 -7.008 0.963 10.927 1.00 0.00 C ATOM 667 CD ARG A 52 -6.896 -0.490 11.419 1.00 0.00 C ATOM 668 NE ARG A 52 -5.981 -0.576 12.596 1.00 0.00 N ATOM 669 CZ ARG A 52 -6.305 -1.315 13.621 1.00 0.00 C ATOM 670 NH1 ARG A 52 -6.252 -2.616 13.530 1.00 0.00 N ATOM 671 NH2 ARG A 52 -6.684 -0.753 14.736 1.00 0.00 N ATOM 0 H ARG A 52 -4.822 4.479 12.325 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.749 3.343 10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.044 1.632 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.268 1.744 12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.040 1.302 11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.740 1.017 9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.883 -0.865 11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.524 -1.125 10.615 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.103 -0.057 12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.957 -3.055 12.658 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.505 -3.194 14.331 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.727 0.264 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.937 -1.330 15.538 1.00 0.00 H new ATOM 685 N GLN A 53 -8.213 4.867 11.714 1.00 0.00 N ATOM 686 CA GLN A 53 -9.258 5.613 12.502 1.00 0.00 C ATOM 687 C GLN A 53 -10.052 4.677 13.419 1.00 0.00 C ATOM 688 O GLN A 53 -9.922 3.471 13.351 1.00 0.00 O ATOM 689 CB GLN A 53 -10.221 6.302 11.534 1.00 0.00 C ATOM 690 CG GLN A 53 -11.010 7.380 12.281 1.00 0.00 C ATOM 691 CD GLN A 53 -11.571 8.390 11.278 1.00 0.00 C ATOM 692 OE1 GLN A 53 -10.851 8.904 10.445 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.839 8.699 11.323 1.00 0.00 N ATOM 0 H GLN A 53 -8.202 5.089 10.719 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.749 6.347 13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.667 6.748 10.708 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.904 5.571 11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.822 6.924 12.847 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.365 7.885 13.000 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.444 8.268 12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.224 9.371 10.659 1.00 0.00 H new ATOM 702 N LEU A 54 -10.869 5.242 14.289 1.00 0.00 N ATOM 703 CA LEU A 54 -11.670 4.405 15.241 1.00 0.00 C ATOM 704 C LEU A 54 -13.128 4.870 15.333 1.00 0.00 C ATOM 705 O LEU A 54 -13.488 5.687 16.156 1.00 0.00 O ATOM 706 CB LEU A 54 -11.032 4.480 16.629 1.00 0.00 C ATOM 707 CG LEU A 54 -11.867 3.665 17.620 1.00 0.00 C ATOM 708 CD1 LEU A 54 -11.192 2.315 17.868 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.980 4.430 18.940 1.00 0.00 C ATOM 0 H LEU A 54 -11.012 6.248 14.377 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.670 3.381 14.867 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.013 4.095 16.594 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.970 5.518 16.957 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.863 3.502 17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.787 1.735 18.574 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.112 1.770 16.927 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.196 2.477 18.280 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.574 3.851 19.647 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.984 4.594 19.352 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.462 5.392 18.763 1.00 0.00 H new ATOM 721 N VAL A 55 -13.974 4.304 14.516 1.00 0.00 N ATOM 722 CA VAL A 55 -15.425 4.632 14.552 1.00 0.00 C ATOM 723 C VAL A 55 -16.165 3.312 14.834 1.00 0.00 C ATOM 724 O VAL A 55 -17.037 2.910 14.093 1.00 0.00 O ATOM 725 CB VAL A 55 -15.837 5.186 13.185 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.863 4.058 12.150 1.00 0.00 C ATOM 727 CG2 VAL A 55 -17.225 5.824 13.286 1.00 0.00 C ATOM 0 H VAL A 55 -13.713 3.614 13.811 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.659 5.376 15.314 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.114 5.939 12.873 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.157 4.460 11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.871 3.613 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.579 3.297 12.459 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.516 6.218 12.312 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.948 5.073 13.605 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.200 6.636 14.013 1.00 0.00 H new ATOM 737 N SER A 56 -15.748 2.607 15.871 1.00 0.00 N ATOM 738 CA SER A 56 -16.322 1.265 16.198 1.00 0.00 C ATOM 739 C SER A 56 -15.424 0.268 15.497 1.00 0.00 C ATOM 740 O SER A 56 -14.828 -0.603 16.093 1.00 0.00 O ATOM 741 CB SER A 56 -17.756 1.095 15.688 1.00 0.00 C ATOM 742 OG SER A 56 -17.734 0.743 14.314 1.00 0.00 O ATOM 0 H SER A 56 -15.019 2.919 16.513 1.00 0.00 H new ATOM 0 HA SER A 56 -16.365 1.129 17.279 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.268 0.324 16.263 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.315 2.021 15.828 1.00 0.00 H new ATOM 0 HG SER A 56 -17.810 1.553 13.768 1.00 0.00 H new ATOM 748 N GLY A 57 -15.283 0.459 14.225 1.00 0.00 N ATOM 749 CA GLY A 57 -14.379 -0.392 13.418 1.00 0.00 C ATOM 750 C GLY A 57 -13.160 0.483 13.104 1.00 0.00 C ATOM 751 O GLY A 57 -13.275 1.694 13.099 1.00 0.00 O ATOM 0 H GLY A 57 -15.767 1.186 13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.088 -1.287 13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.868 -0.726 12.503 1.00 0.00 H new ATOM 755 N ILE A 58 -11.996 -0.059 12.861 1.00 0.00 N ATOM 756 CA ILE A 58 -10.860 0.856 12.586 1.00 0.00 C ATOM 757 C ILE A 58 -10.662 0.980 11.076 1.00 0.00 C ATOM 758 O ILE A 58 -10.894 0.050 10.337 1.00 0.00 O ATOM 759 CB ILE A 58 -9.613 0.312 13.263 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.952 -0.031 14.696 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.498 1.344 13.267 1.00 0.00 C ATOM 762 CD1 ILE A 58 -10.253 -1.507 14.745 1.00 0.00 C ATOM 0 H ILE A 58 -11.790 -1.058 12.842 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.066 1.850 12.984 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.276 -0.568 12.715 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.120 0.214 15.357 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.811 0.548 15.037 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.618 0.927 13.758 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.248 1.613 12.241 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.827 2.233 13.805 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.503 -1.794 15.766 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.095 -1.729 14.090 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.379 -2.068 14.414 1.00 0.00 H new ATOM 774 N LYS A 59 -10.241 2.118 10.598 1.00 0.00 N ATOM 775 CA LYS A 59 -10.046 2.255 9.118 1.00 0.00 C ATOM 776 C LYS A 59 -8.608 2.613 8.828 1.00 0.00 C ATOM 777 O LYS A 59 -8.118 3.664 9.170 1.00 0.00 O ATOM 778 CB LYS A 59 -10.946 3.319 8.519 1.00 0.00 C ATOM 779 CG LYS A 59 -11.976 3.794 9.548 1.00 0.00 C ATOM 780 CD LYS A 59 -12.579 5.125 9.092 1.00 0.00 C ATOM 781 CE LYS A 59 -13.857 4.859 8.295 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.273 6.106 7.592 1.00 0.00 N ATOM 0 H LYS A 59 -10.026 2.947 11.151 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.305 1.298 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.345 4.163 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.457 2.920 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.762 3.047 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.503 3.912 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.800 5.751 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.862 5.670 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.688 4.061 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.651 4.523 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.142 5.926 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.450 6.856 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.517 6.408 6.944 1.00 0.00 H new ATOM 796 N TYR A 60 -7.963 1.710 8.189 1.00 0.00 N ATOM 797 CA TYR A 60 -6.519 1.865 7.829 1.00 0.00 C ATOM 798 C TYR A 60 -6.328 2.814 6.655 1.00 0.00 C ATOM 799 O TYR A 60 -6.338 2.398 5.516 1.00 0.00 O ATOM 800 CB TYR A 60 -5.960 0.508 7.427 1.00 0.00 C ATOM 801 CG TYR A 60 -5.272 -0.197 8.593 1.00 0.00 C ATOM 802 CD1 TYR A 60 -4.537 0.520 9.558 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.367 -1.593 8.698 1.00 0.00 C ATOM 804 CE1 TYR A 60 -3.914 -0.165 10.607 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.745 -2.270 9.748 1.00 0.00 C ATOM 806 CZ TYR A 60 -4.016 -1.557 10.704 1.00 0.00 C ATOM 807 OH TYR A 60 -3.397 -2.225 11.740 1.00 0.00 O ATOM 0 H TYR A 60 -8.377 0.830 7.881 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.003 2.271 8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.768 -0.119 7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.249 0.636 6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.455 1.595 9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.926 -2.148 7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.351 0.384 11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.827 -3.344 9.822 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.569 -3.186 11.658 1.00 0.00 H new ATOM 817 N ILE A 61 -6.095 4.068 6.904 1.00 0.00 N ATOM 818 CA ILE A 61 -5.847 4.981 5.778 1.00 0.00 C ATOM 819 C ILE A 61 -4.363 4.891 5.466 1.00 0.00 C ATOM 820 O ILE A 61 -3.525 4.933 6.342 1.00 0.00 O ATOM 821 CB ILE A 61 -6.180 6.409 6.156 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.182 6.445 7.316 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.773 7.134 4.946 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.399 5.582 6.976 1.00 0.00 C ATOM 0 H ILE A 61 -6.067 4.491 7.832 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.467 4.704 4.925 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.263 6.907 6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.710 6.081 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.495 7.472 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.012 8.162 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.049 7.134 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.681 6.623 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.108 5.611 7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.877 5.966 6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.080 4.553 6.807 1.00 0.00 H new ATOM 836 N LEU A 62 -4.039 4.727 4.242 1.00 0.00 N ATOM 837 CA LEU A 62 -2.650 4.580 3.839 1.00 0.00 C ATOM 838 C LEU A 62 -2.369 5.563 2.724 1.00 0.00 C ATOM 839 O LEU A 62 -3.202 5.811 1.883 1.00 0.00 O ATOM 840 CB LEU A 62 -2.550 3.190 3.273 1.00 0.00 C ATOM 841 CG LEU A 62 -1.160 2.592 3.406 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.139 3.545 2.817 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.856 2.322 4.868 1.00 0.00 C ATOM 0 H LEU A 62 -4.709 4.687 3.474 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.957 4.751 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.267 2.545 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.831 3.212 2.220 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.114 1.649 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.858 3.115 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.362 3.712 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.177 4.495 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.142 1.893 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.902 3.256 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.589 1.622 5.269 1.00 0.00 H new ATOM 855 N GLN A 63 -1.203 6.077 2.674 1.00 0.00 N ATOM 856 CA GLN A 63 -0.853 6.977 1.574 1.00 0.00 C ATOM 857 C GLN A 63 0.602 6.787 1.297 1.00 0.00 C ATOM 858 O GLN A 63 1.405 6.635 2.191 1.00 0.00 O ATOM 859 CB GLN A 63 -1.056 8.412 1.922 1.00 0.00 C ATOM 860 CG GLN A 63 -2.516 8.811 1.697 1.00 0.00 C ATOM 861 CD GLN A 63 -3.039 9.568 2.918 1.00 0.00 C ATOM 862 OE1 GLN A 63 -2.673 10.704 3.145 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.891 8.986 3.717 1.00 0.00 N ATOM 0 H GLN A 63 -0.462 5.913 3.356 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.491 6.742 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.781 8.583 2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.403 9.037 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.599 9.435 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.123 7.923 1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.199 8.032 3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.249 9.485 4.531 1.00 0.00 H new ATOM 872 N VAL A 64 0.937 6.831 0.072 1.00 0.00 N ATOM 873 CA VAL A 64 2.363 6.664 -0.315 1.00 0.00 C ATOM 874 C VAL A 64 2.557 7.029 -1.783 1.00 0.00 C ATOM 875 O VAL A 64 1.786 6.637 -2.636 1.00 0.00 O ATOM 876 CB VAL A 64 2.842 5.185 -0.128 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.320 4.562 1.169 1.00 0.00 C ATOM 878 CG2 VAL A 64 2.355 4.337 -1.294 1.00 0.00 C ATOM 0 H VAL A 64 0.291 6.976 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 64 2.946 7.321 0.331 1.00 0.00 H new ATOM 0 HB VAL A 64 3.931 5.207 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.680 3.537 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.677 5.141 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.230 4.564 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.690 3.308 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.266 4.362 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.760 4.733 -2.226 1.00 0.00 H new ATOM 888 N GLU A 65 3.604 7.743 -2.080 1.00 0.00 N ATOM 889 CA GLU A 65 3.902 8.080 -3.496 1.00 0.00 C ATOM 890 C GLU A 65 4.449 6.808 -4.166 1.00 0.00 C ATOM 891 O GLU A 65 5.636 6.647 -4.350 1.00 0.00 O ATOM 892 CB GLU A 65 4.954 9.193 -3.558 1.00 0.00 C ATOM 893 CG GLU A 65 4.410 10.446 -2.869 1.00 0.00 C ATOM 894 CD GLU A 65 4.484 11.630 -3.835 1.00 0.00 C ATOM 895 OE1 GLU A 65 5.403 11.662 -4.636 1.00 0.00 O ATOM 896 OE2 GLU A 65 3.618 12.487 -3.757 1.00 0.00 O ATOM 0 H GLU A 65 4.269 8.109 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 65 3.004 8.430 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.873 8.867 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.204 9.415 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.379 10.283 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.988 10.660 -1.970 1.00 0.00 H new ATOM 903 N ILE A 66 3.576 5.903 -4.506 1.00 0.00 N ATOM 904 CA ILE A 66 3.994 4.608 -5.145 1.00 0.00 C ATOM 905 C ILE A 66 4.902 4.877 -6.334 1.00 0.00 C ATOM 906 O ILE A 66 4.592 5.650 -7.210 1.00 0.00 O ATOM 907 CB ILE A 66 2.766 3.881 -5.745 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.425 4.435 -5.247 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.803 2.389 -5.463 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.178 3.980 -3.812 1.00 0.00 C ATOM 0 H ILE A 66 2.570 6.001 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 66 4.486 4.018 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 66 2.834 4.062 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.430 5.524 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.617 4.090 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.925 1.914 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.704 1.958 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.807 2.222 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.224 4.376 -3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.154 2.891 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.979 4.347 -3.171 1.00 0.00 H new ATOM 922 N GLY A 67 5.974 4.178 -6.421 1.00 0.00 N ATOM 923 CA GLY A 67 6.843 4.337 -7.604 1.00 0.00 C ATOM 924 C GLY A 67 6.756 3.014 -8.408 1.00 0.00 C ATOM 925 O GLY A 67 5.884 2.199 -8.151 1.00 0.00 O ATOM 0 H GLY A 67 6.293 3.501 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.517 5.181 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.871 4.539 -7.304 1.00 0.00 H new ATOM 929 N ARG A 68 7.634 2.761 -9.356 1.00 0.00 N ATOM 930 CA ARG A 68 7.528 1.476 -10.114 1.00 0.00 C ATOM 931 C ARG A 68 8.811 0.657 -9.961 1.00 0.00 C ATOM 932 O ARG A 68 9.744 1.072 -9.317 1.00 0.00 O ATOM 933 CB ARG A 68 7.306 1.778 -11.598 1.00 0.00 C ATOM 934 CG ARG A 68 6.358 2.971 -11.743 1.00 0.00 C ATOM 935 CD ARG A 68 6.377 3.461 -13.191 1.00 0.00 C ATOM 936 NE ARG A 68 5.710 4.789 -13.275 1.00 0.00 N ATOM 937 CZ ARG A 68 5.586 5.387 -14.429 1.00 0.00 C ATOM 938 NH1 ARG A 68 6.648 5.679 -15.127 1.00 0.00 N ATOM 939 NH2 ARG A 68 4.402 5.691 -14.883 1.00 0.00 N ATOM 0 H ARG A 68 8.401 3.375 -9.630 1.00 0.00 H new ATOM 0 HA ARG A 68 6.689 0.904 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.258 1.996 -12.081 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.887 0.905 -12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.346 2.682 -11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.661 3.774 -11.072 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.404 3.535 -13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.867 2.745 -13.835 1.00 0.00 H new ATOM 0 HE ARG A 68 5.349 5.232 -12.430 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.574 5.440 -14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.553 6.146 -16.029 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.572 5.462 -14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.306 6.158 -15.785 1.00 0.00 H new ATOM 953 N THR A 69 8.858 -0.496 -10.578 1.00 0.00 N ATOM 954 CA THR A 69 10.076 -1.356 -10.515 1.00 0.00 C ATOM 955 C THR A 69 10.185 -2.161 -11.813 1.00 0.00 C ATOM 956 O THR A 69 9.599 -3.212 -11.951 1.00 0.00 O ATOM 957 CB THR A 69 10.038 -2.267 -9.288 1.00 0.00 C ATOM 958 OG1 THR A 69 11.096 -3.211 -9.369 1.00 0.00 O ATOM 959 CG2 THR A 69 8.708 -3.005 -9.168 1.00 0.00 C ATOM 0 H THR A 69 8.092 -0.882 -11.130 1.00 0.00 H new ATOM 0 HA THR A 69 10.962 -0.729 -10.415 1.00 0.00 H new ATOM 0 HB THR A 69 10.153 -1.641 -8.403 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.838 -3.940 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.723 -3.641 -8.283 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.897 -2.282 -9.081 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.552 -3.620 -10.054 1.00 0.00 H new ATOM 967 N THR A 70 10.911 -1.624 -12.779 1.00 0.00 N ATOM 968 CA THR A 70 11.062 -2.287 -14.122 1.00 0.00 C ATOM 969 C THR A 70 11.023 -3.824 -14.012 1.00 0.00 C ATOM 970 O THR A 70 9.975 -4.398 -13.795 1.00 0.00 O ATOM 971 CB THR A 70 12.368 -1.827 -14.814 1.00 0.00 C ATOM 972 OG1 THR A 70 12.615 -2.662 -15.937 1.00 0.00 O ATOM 973 CG2 THR A 70 13.580 -1.890 -13.865 1.00 0.00 C ATOM 0 H THR A 70 11.412 -0.740 -12.689 1.00 0.00 H new ATOM 0 HA THR A 70 10.213 -1.980 -14.733 1.00 0.00 H new ATOM 0 HB THR A 70 12.237 -0.789 -15.120 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.440 -2.376 -16.382 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.474 -1.558 -14.394 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.404 -1.241 -13.007 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.721 -2.915 -13.522 1.00 0.00 H new ATOM 981 N CYS A 71 12.141 -4.495 -14.187 1.00 0.00 N ATOM 982 CA CYS A 71 12.152 -5.990 -14.112 1.00 0.00 C ATOM 983 C CYS A 71 10.841 -6.558 -14.661 1.00 0.00 C ATOM 984 O CYS A 71 10.071 -7.153 -13.935 1.00 0.00 O ATOM 985 CB CYS A 71 12.326 -6.424 -12.657 1.00 0.00 C ATOM 986 SG CYS A 71 10.945 -5.799 -11.665 1.00 0.00 S ATOM 0 H CYS A 71 13.047 -4.068 -14.379 1.00 0.00 H new ATOM 0 HA CYS A 71 12.980 -6.369 -14.711 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.369 -7.511 -12.594 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.269 -6.045 -12.264 1.00 0.00 H new ATOM 991 N PRO A 72 10.628 -6.350 -15.934 1.00 0.00 N ATOM 992 CA PRO A 72 9.404 -6.821 -16.646 1.00 0.00 C ATOM 993 C PRO A 72 9.524 -8.320 -16.971 1.00 0.00 C ATOM 994 O PRO A 72 10.441 -8.980 -16.524 1.00 0.00 O ATOM 995 CB PRO A 72 9.398 -5.970 -17.914 1.00 0.00 C ATOM 996 CG PRO A 72 10.836 -5.525 -18.159 1.00 0.00 C ATOM 997 CD PRO A 72 11.583 -5.622 -16.827 1.00 0.00 C ATOM 0 HA PRO A 72 8.486 -6.717 -16.067 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.022 -6.543 -18.761 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.742 -5.107 -17.796 1.00 0.00 H new ATOM 0 HG2 PRO A 72 11.310 -6.157 -18.911 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.861 -4.504 -18.539 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.523 -6.164 -16.934 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.827 -4.636 -16.432 1.00 0.00 H new ATOM 1005 N LYS A 73 8.614 -8.873 -17.740 1.00 0.00 N ATOM 1006 CA LYS A 73 8.710 -10.324 -18.066 1.00 0.00 C ATOM 1007 C LYS A 73 10.012 -10.591 -18.829 1.00 0.00 C ATOM 1008 O LYS A 73 10.773 -11.472 -18.482 1.00 0.00 O ATOM 1009 CB LYS A 73 7.517 -10.730 -18.932 1.00 0.00 C ATOM 1010 CG LYS A 73 6.464 -11.417 -18.061 1.00 0.00 C ATOM 1011 CD LYS A 73 6.043 -10.474 -16.931 1.00 0.00 C ATOM 1012 CE LYS A 73 4.933 -11.129 -16.107 1.00 0.00 C ATOM 1013 NZ LYS A 73 5.467 -11.517 -14.770 1.00 0.00 N ATOM 0 H LYS A 73 7.818 -8.384 -18.150 1.00 0.00 H new ATOM 0 HA LYS A 73 8.705 -10.906 -17.144 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.088 -9.851 -19.414 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.842 -11.402 -19.726 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.598 -11.688 -18.665 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.866 -12.342 -17.647 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.898 -10.248 -16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.694 -9.528 -17.344 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.097 -10.439 -15.990 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.551 -12.008 -16.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.712 -11.962 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.251 -12.190 -14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.811 -10.670 -14.275 1.00 0.00 H new ATOM 1027 N SER A 74 10.275 -9.841 -19.871 1.00 0.00 N ATOM 1028 CA SER A 74 11.528 -10.063 -20.647 1.00 0.00 C ATOM 1029 C SER A 74 12.727 -10.085 -19.692 1.00 0.00 C ATOM 1030 O SER A 74 13.395 -11.090 -19.547 1.00 0.00 O ATOM 1031 CB SER A 74 11.706 -8.933 -21.662 1.00 0.00 C ATOM 1032 OG SER A 74 11.206 -9.347 -22.924 1.00 0.00 O ATOM 0 H SER A 74 9.678 -9.089 -20.214 1.00 0.00 H new ATOM 0 HA SER A 74 11.465 -11.017 -21.171 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.179 -8.041 -21.325 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.760 -8.668 -21.746 1.00 0.00 H new ATOM 0 HG SER A 74 11.318 -8.622 -23.574 1.00 0.00 H new ATOM 1038 N SER A 75 13.010 -8.986 -19.038 1.00 0.00 N ATOM 1039 CA SER A 75 14.168 -8.959 -18.100 1.00 0.00 C ATOM 1040 C SER A 75 13.697 -9.340 -16.695 1.00 0.00 C ATOM 1041 O SER A 75 14.174 -8.817 -15.707 1.00 0.00 O ATOM 1042 CB SER A 75 14.770 -7.553 -18.072 1.00 0.00 C ATOM 1043 OG SER A 75 13.961 -6.677 -18.844 1.00 0.00 O ATOM 0 H SER A 75 12.490 -8.112 -19.114 1.00 0.00 H new ATOM 0 HA SER A 75 14.922 -9.671 -18.435 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.836 -7.194 -17.045 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.785 -7.572 -18.469 1.00 0.00 H new ATOM 0 HG SER A 75 14.345 -5.776 -18.825 1.00 0.00 H new ATOM 1049 N GLY A 76 12.764 -10.247 -16.597 1.00 0.00 N ATOM 1050 CA GLY A 76 12.263 -10.660 -15.256 1.00 0.00 C ATOM 1051 C GLY A 76 13.424 -11.218 -14.429 1.00 0.00 C ATOM 1052 O GLY A 76 13.636 -10.830 -13.298 1.00 0.00 O ATOM 0 H GLY A 76 12.327 -10.720 -17.388 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.815 -9.808 -14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.483 -11.414 -15.363 1.00 0.00 H new ATOM 1056 N ASP A 77 14.178 -12.127 -14.985 1.00 0.00 N ATOM 1057 CA ASP A 77 15.324 -12.709 -14.231 1.00 0.00 C ATOM 1058 C ASP A 77 14.792 -13.537 -13.058 1.00 0.00 C ATOM 1059 O ASP A 77 13.659 -13.977 -13.061 1.00 0.00 O ATOM 1060 CB ASP A 77 16.208 -11.579 -13.698 1.00 0.00 C ATOM 1061 CG ASP A 77 16.524 -10.602 -14.832 1.00 0.00 C ATOM 1062 OD1 ASP A 77 15.981 -10.780 -15.910 1.00 0.00 O ATOM 1063 OD2 ASP A 77 17.302 -9.691 -14.602 1.00 0.00 O ATOM 0 H ASP A 77 14.050 -12.492 -15.929 1.00 0.00 H new ATOM 0 HA ASP A 77 15.910 -13.348 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.701 -11.058 -12.886 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.131 -11.988 -13.288 1.00 0.00 H new ATOM 1068 N LEU A 78 15.598 -13.753 -12.055 1.00 0.00 N ATOM 1069 CA LEU A 78 15.134 -14.550 -10.885 1.00 0.00 C ATOM 1070 C LEU A 78 14.574 -13.605 -9.818 1.00 0.00 C ATOM 1071 O LEU A 78 13.379 -13.526 -9.615 1.00 0.00 O ATOM 1072 CB LEU A 78 16.309 -15.338 -10.305 1.00 0.00 C ATOM 1073 CG LEU A 78 16.095 -16.833 -10.555 1.00 0.00 C ATOM 1074 CD1 LEU A 78 17.253 -17.379 -11.388 1.00 0.00 C ATOM 1075 CD2 LEU A 78 16.035 -17.570 -9.216 1.00 0.00 C ATOM 0 H LEU A 78 16.557 -13.412 -11.995 1.00 0.00 H new ATOM 0 HA LEU A 78 14.356 -15.244 -11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 78 17.242 -15.012 -10.765 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.397 -15.146 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 78 15.159 -16.983 -11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.102 -18.444 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.295 -16.853 -12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 78 18.190 -17.231 -10.850 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.883 -18.635 -9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 78 16.971 -17.422 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 78 15.209 -17.179 -8.622 1.00 0.00 H new ATOM 1087 N GLN A 79 15.426 -12.886 -9.132 1.00 0.00 N ATOM 1088 CA GLN A 79 14.927 -11.949 -8.086 1.00 0.00 C ATOM 1089 C GLN A 79 15.725 -10.648 -8.144 1.00 0.00 C ATOM 1090 O GLN A 79 16.573 -10.385 -7.313 1.00 0.00 O ATOM 1091 CB GLN A 79 15.089 -12.589 -6.705 1.00 0.00 C ATOM 1092 CG GLN A 79 14.662 -11.591 -5.627 1.00 0.00 C ATOM 1093 CD GLN A 79 14.637 -12.288 -4.266 1.00 0.00 C ATOM 1094 OE1 GLN A 79 14.171 -13.403 -4.150 1.00 0.00 O ATOM 1095 NE2 GLN A 79 15.127 -11.674 -3.223 1.00 0.00 N ATOM 0 H GLN A 79 16.439 -12.908 -9.251 1.00 0.00 H new ATOM 0 HA GLN A 79 13.873 -11.736 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 79 14.484 -13.493 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 79 16.126 -12.887 -6.550 1.00 0.00 H new ATOM 0 HG2 GLN A 79 15.353 -10.748 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 79 13.676 -11.189 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.519 -10.737 -3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.118 -12.131 -2.311 1.00 0.00 H new ATOM 1104 N SER A 80 15.459 -9.834 -9.124 1.00 0.00 N ATOM 1105 CA SER A 80 16.197 -8.544 -9.251 1.00 0.00 C ATOM 1106 C SER A 80 15.229 -7.432 -9.680 1.00 0.00 C ATOM 1107 O SER A 80 15.482 -6.721 -10.631 1.00 0.00 O ATOM 1108 CB SER A 80 17.290 -8.696 -10.311 1.00 0.00 C ATOM 1109 OG SER A 80 16.716 -9.181 -11.516 1.00 0.00 O ATOM 0 H SER A 80 14.760 -10.005 -9.847 1.00 0.00 H new ATOM 0 HA SER A 80 16.642 -8.284 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.776 -7.737 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.059 -9.383 -9.960 1.00 0.00 H new ATOM 0 HG SER A 80 17.415 -9.277 -12.196 1.00 0.00 H new ATOM 1115 N CYS A 81 14.118 -7.273 -8.999 1.00 0.00 N ATOM 1116 CA CYS A 81 13.158 -6.206 -9.397 1.00 0.00 C ATOM 1117 C CYS A 81 13.622 -4.860 -8.842 1.00 0.00 C ATOM 1118 O CYS A 81 14.139 -4.776 -7.746 1.00 0.00 O ATOM 1119 CB CYS A 81 11.769 -6.538 -8.849 1.00 0.00 C ATOM 1120 SG CYS A 81 10.728 -7.165 -10.192 1.00 0.00 S ATOM 0 H CYS A 81 13.840 -7.833 -8.193 1.00 0.00 H new ATOM 0 HA CYS A 81 13.114 -6.148 -10.485 1.00 0.00 H new ATOM 0 HB2 CYS A 81 11.847 -7.282 -8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.317 -5.649 -8.408 1.00 0.00 H new ATOM 1125 N GLU A 82 13.445 -3.803 -9.591 1.00 0.00 N ATOM 1126 CA GLU A 82 13.883 -2.469 -9.096 1.00 0.00 C ATOM 1127 C GLU A 82 13.230 -1.353 -9.919 1.00 0.00 C ATOM 1128 O GLU A 82 12.716 -1.568 -11.000 1.00 0.00 O ATOM 1129 CB GLU A 82 15.406 -2.362 -9.209 1.00 0.00 C ATOM 1130 CG GLU A 82 15.941 -1.483 -8.076 1.00 0.00 C ATOM 1131 CD GLU A 82 16.373 -2.369 -6.904 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.216 -3.573 -7.008 1.00 0.00 O ATOM 1133 OE2 GLU A 82 16.852 -1.825 -5.924 1.00 0.00 O ATOM 0 H GLU A 82 13.019 -3.807 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 82 13.580 -2.361 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.856 -3.354 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.681 -1.937 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.785 -0.890 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.172 -0.781 -7.752 1.00 0.00 H new ATOM 1140 N PHE A 83 13.240 -0.161 -9.387 1.00 0.00 N ATOM 1141 CA PHE A 83 12.629 1.008 -10.079 1.00 0.00 C ATOM 1142 C PHE A 83 13.257 1.184 -11.485 1.00 0.00 C ATOM 1143 O PHE A 83 13.596 0.205 -12.115 1.00 0.00 O ATOM 1144 CB PHE A 83 12.832 2.212 -9.189 1.00 0.00 C ATOM 1145 CG PHE A 83 11.731 2.185 -8.152 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.434 0.992 -7.460 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.985 3.333 -7.901 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.389 0.961 -6.529 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.951 3.304 -6.965 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.645 2.121 -6.278 1.00 0.00 C ATOM 0 H PHE A 83 13.656 0.055 -8.481 1.00 0.00 H new ATOM 0 HA PHE A 83 11.561 0.867 -10.244 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.812 2.179 -8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.792 3.133 -9.771 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.014 0.101 -7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.207 4.247 -8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.157 0.045 -6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.382 4.200 -6.768 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.840 2.104 -5.559 1.00 0.00 H new ATOM 1160 N HIS A 84 13.440 2.383 -12.017 1.00 0.00 N ATOM 1161 CA HIS A 84 14.054 2.459 -13.372 1.00 0.00 C ATOM 1162 C HIS A 84 15.502 2.880 -13.228 1.00 0.00 C ATOM 1163 O HIS A 84 15.984 3.777 -13.885 1.00 0.00 O ATOM 1164 CB HIS A 84 13.306 3.439 -14.255 1.00 0.00 C ATOM 1165 CG HIS A 84 12.964 2.778 -15.562 1.00 0.00 C ATOM 1166 ND1 HIS A 84 13.887 2.032 -16.278 1.00 0.00 N ATOM 1167 CD2 HIS A 84 11.806 2.746 -16.298 1.00 0.00 C ATOM 1168 CE1 HIS A 84 13.273 1.586 -17.389 1.00 0.00 C ATOM 1169 NE2 HIS A 84 12.003 1.993 -17.451 1.00 0.00 N ATOM 0 H HIS A 84 13.198 3.273 -11.582 1.00 0.00 H new ATOM 0 HA HIS A 84 13.997 1.479 -13.846 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.397 3.774 -13.756 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.917 4.324 -14.432 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.881 3.232 -16.023 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.750 0.973 -18.140 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.324 1.795 -18.185 1.00 0.00 H new ATOM 1177 N ASP A 85 16.186 2.213 -12.359 1.00 0.00 N ATOM 1178 CA ASP A 85 17.618 2.516 -12.118 1.00 0.00 C ATOM 1179 C ASP A 85 17.854 4.035 -12.127 1.00 0.00 C ATOM 1180 O ASP A 85 18.943 4.488 -12.413 1.00 0.00 O ATOM 1181 CB ASP A 85 18.462 1.867 -13.217 1.00 0.00 C ATOM 1182 CG ASP A 85 19.946 2.015 -12.873 1.00 0.00 C ATOM 1183 OD1 ASP A 85 20.379 1.386 -11.921 1.00 0.00 O ATOM 1184 OD2 ASP A 85 20.625 2.753 -13.569 1.00 0.00 O ATOM 0 H ASP A 85 15.809 1.454 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 85 17.904 2.121 -11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.203 0.813 -13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.251 2.337 -14.178 1.00 0.00 H new ATOM 1189 N GLU A 86 16.851 4.827 -11.824 1.00 0.00 N ATOM 1190 CA GLU A 86 17.047 6.316 -11.832 1.00 0.00 C ATOM 1191 C GLU A 86 15.686 7.029 -11.875 1.00 0.00 C ATOM 1192 O GLU A 86 14.678 6.416 -12.164 1.00 0.00 O ATOM 1193 CB GLU A 86 17.850 6.708 -13.083 1.00 0.00 C ATOM 1194 CG GLU A 86 17.353 5.906 -14.289 1.00 0.00 C ATOM 1195 CD GLU A 86 17.754 6.624 -15.577 1.00 0.00 C ATOM 1196 OE1 GLU A 86 17.040 7.530 -15.974 1.00 0.00 O ATOM 1197 OE2 GLU A 86 18.768 6.256 -16.147 1.00 0.00 O ATOM 0 H GLU A 86 15.914 4.512 -11.574 1.00 0.00 H new ATOM 0 HA GLU A 86 17.580 6.611 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.743 7.776 -13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.911 6.518 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.778 4.902 -14.272 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.270 5.795 -14.244 1.00 0.00 H new ATOM 1204 N PRO A 87 15.707 8.320 -11.618 1.00 0.00 N ATOM 1205 CA PRO A 87 14.480 9.189 -11.650 1.00 0.00 C ATOM 1206 C PRO A 87 13.987 9.286 -13.104 1.00 0.00 C ATOM 1207 O PRO A 87 14.059 8.306 -13.819 1.00 0.00 O ATOM 1208 CB PRO A 87 14.987 10.522 -11.095 1.00 0.00 C ATOM 1209 CG PRO A 87 16.491 10.540 -11.309 1.00 0.00 C ATOM 1210 CD PRO A 87 16.952 9.085 -11.268 1.00 0.00 C ATOM 0 HA PRO A 87 13.631 8.823 -11.073 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.513 11.360 -11.607 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.746 10.617 -10.036 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.741 10.999 -12.265 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.986 11.126 -10.535 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.754 8.897 -11.981 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.330 8.810 -10.283 1.00 0.00 H new ATOM 1218 N GLU A 88 13.488 10.433 -13.542 1.00 0.00 N ATOM 1219 CA GLU A 88 12.994 10.579 -14.961 1.00 0.00 C ATOM 1220 C GLU A 88 12.626 9.214 -15.524 1.00 0.00 C ATOM 1221 O GLU A 88 13.090 8.807 -16.569 1.00 0.00 O ATOM 1222 CB GLU A 88 14.090 11.196 -15.834 1.00 0.00 C ATOM 1223 CG GLU A 88 15.467 10.871 -15.247 1.00 0.00 C ATOM 1224 CD GLU A 88 16.554 11.242 -16.258 1.00 0.00 C ATOM 1225 OE1 GLU A 88 16.895 10.397 -17.069 1.00 0.00 O ATOM 1226 OE2 GLU A 88 17.027 12.365 -16.203 1.00 0.00 O ATOM 0 H GLU A 88 13.403 11.275 -12.973 1.00 0.00 H new ATOM 0 HA GLU A 88 12.117 11.226 -14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.018 10.810 -16.851 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.956 12.276 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.617 11.421 -14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.529 9.810 -15.003 1.00 0.00 H new ATOM 1233 N LEU A 89 11.822 8.497 -14.807 1.00 0.00 N ATOM 1234 CA LEU A 89 11.431 7.135 -15.237 1.00 0.00 C ATOM 1235 C LEU A 89 10.896 6.432 -14.005 1.00 0.00 C ATOM 1236 O LEU A 89 9.835 5.841 -14.012 1.00 0.00 O ATOM 1237 CB LEU A 89 12.654 6.393 -15.779 1.00 0.00 C ATOM 1238 CG LEU A 89 12.527 6.229 -17.295 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.712 5.416 -17.820 1.00 0.00 C ATOM 1240 CD2 LEU A 89 11.225 5.501 -17.619 1.00 0.00 C ATOM 0 H LEU A 89 11.411 8.801 -13.925 1.00 0.00 H new ATOM 0 HA LEU A 89 10.681 7.166 -16.027 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.563 6.945 -15.538 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.739 5.416 -15.304 1.00 0.00 H new ATOM 0 HG LEU A 89 12.522 7.210 -17.769 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.623 5.298 -18.900 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.641 5.936 -17.587 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.717 4.434 -17.347 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.133 5.383 -18.699 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.230 4.519 -17.146 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.381 6.080 -17.244 1.00 0.00 H new ATOM 1252 N ALA A 90 11.614 6.541 -12.925 1.00 0.00 N ATOM 1253 CA ALA A 90 11.141 5.934 -11.662 1.00 0.00 C ATOM 1254 C ALA A 90 10.293 6.966 -10.936 1.00 0.00 C ATOM 1255 O ALA A 90 10.390 7.140 -9.738 1.00 0.00 O ATOM 1256 CB ALA A 90 12.320 5.514 -10.777 1.00 0.00 C ATOM 0 H ALA A 90 12.509 7.026 -12.866 1.00 0.00 H new ATOM 0 HA ALA A 90 10.558 5.040 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.943 5.071 -9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.931 4.784 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.925 6.388 -10.538 1.00 0.00 H new ATOM 1262 N LYS A 91 9.452 7.650 -11.663 1.00 0.00 N ATOM 1263 CA LYS A 91 8.590 8.658 -11.042 1.00 0.00 C ATOM 1264 C LYS A 91 7.767 7.974 -9.974 1.00 0.00 C ATOM 1265 O LYS A 91 8.100 6.908 -9.497 1.00 0.00 O ATOM 1266 CB LYS A 91 7.660 9.270 -12.093 1.00 0.00 C ATOM 1267 CG LYS A 91 8.430 9.476 -13.400 1.00 0.00 C ATOM 1268 CD LYS A 91 8.257 10.920 -13.873 1.00 0.00 C ATOM 1269 CE LYS A 91 9.599 11.458 -14.373 1.00 0.00 C ATOM 1270 NZ LYS A 91 10.193 12.350 -13.338 1.00 0.00 N ATOM 0 H LYS A 91 9.335 7.542 -12.670 1.00 0.00 H new ATOM 0 HA LYS A 91 9.195 9.454 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.805 8.616 -12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.267 10.222 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.487 9.256 -13.250 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.065 8.787 -14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.515 10.966 -14.670 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.886 11.539 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.277 10.632 -14.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.459 12.007 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.105 12.716 -13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.548 13.145 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.341 11.813 -12.460 1.00 0.00 H new ATOM 1284 N TYR A 92 6.730 8.601 -9.563 1.00 0.00 N ATOM 1285 CA TYR A 92 5.911 8.050 -8.492 1.00 0.00 C ATOM 1286 C TYR A 92 4.443 8.420 -8.710 1.00 0.00 C ATOM 1287 O TYR A 92 4.080 9.077 -9.667 1.00 0.00 O ATOM 1288 CB TYR A 92 6.465 8.674 -7.231 1.00 0.00 C ATOM 1289 CG TYR A 92 7.969 8.472 -7.234 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.503 7.197 -6.995 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.829 9.544 -7.512 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.887 6.995 -7.032 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.215 9.340 -7.545 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.743 8.066 -7.305 1.00 0.00 C ATOM 1295 OH TYR A 92 12.107 7.866 -7.343 1.00 0.00 O ATOM 0 H TYR A 92 6.409 9.495 -9.935 1.00 0.00 H new ATOM 0 HA TYR A 92 5.944 6.961 -8.446 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.223 9.736 -7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.020 8.213 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.844 6.369 -6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.423 10.527 -7.701 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.294 6.011 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.877 10.167 -7.756 1.00 0.00 H new ATOM 0 HH TYR A 92 12.556 8.713 -7.547 1.00 0.00 H new ATOM 1305 N THR A 93 3.611 7.978 -7.827 1.00 0.00 N ATOM 1306 CA THR A 93 2.154 8.245 -7.925 1.00 0.00 C ATOM 1307 C THR A 93 1.581 8.317 -6.509 1.00 0.00 C ATOM 1308 O THR A 93 2.050 7.652 -5.612 1.00 0.00 O ATOM 1309 CB THR A 93 1.486 7.109 -8.711 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.273 7.580 -9.283 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.187 5.916 -7.789 1.00 0.00 C ATOM 0 H THR A 93 3.884 7.425 -7.014 1.00 0.00 H new ATOM 0 HA THR A 93 1.969 9.186 -8.442 1.00 0.00 H new ATOM 0 HB THR A 93 2.165 6.781 -9.498 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.154 6.856 -9.787 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.713 5.121 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.118 5.547 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.517 6.233 -6.989 1.00 0.00 H new ATOM 1319 N THR A 94 0.574 9.106 -6.304 1.00 0.00 N ATOM 1320 CA THR A 94 -0.018 9.214 -4.941 1.00 0.00 C ATOM 1321 C THR A 94 -1.168 8.228 -4.805 1.00 0.00 C ATOM 1322 O THR A 94 -2.205 8.382 -5.417 1.00 0.00 O ATOM 1323 CB THR A 94 -0.532 10.638 -4.715 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.535 11.560 -4.900 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.080 10.767 -3.293 1.00 0.00 C ATOM 0 H THR A 94 0.131 9.684 -7.018 1.00 0.00 H new ATOM 0 HA THR A 94 0.745 8.984 -4.197 1.00 0.00 H new ATOM 0 HB THR A 94 -1.328 10.854 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.207 12.472 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.445 11.782 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.898 10.061 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.287 10.551 -2.577 1.00 0.00 H new ATOM 1333 N CYS A 95 -0.991 7.203 -4.020 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.074 6.207 -3.871 1.00 0.00 C ATOM 1335 C CYS A 95 -2.502 6.117 -2.407 1.00 0.00 C ATOM 1336 O CYS A 95 -1.744 6.438 -1.502 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.543 4.873 -4.338 1.00 0.00 C ATOM 1338 SG CYS A 95 -2.889 3.891 -5.032 1.00 0.00 S ATOM 0 H CYS A 95 -0.146 7.017 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.942 6.497 -4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.765 5.022 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.085 4.341 -3.504 1.00 0.00 H new ATOM 1343 N THR A 96 -3.713 5.684 -2.172 1.00 0.00 N ATOM 1344 CA THR A 96 -4.209 5.571 -0.776 1.00 0.00 C ATOM 1345 C THR A 96 -4.864 4.203 -0.556 1.00 0.00 C ATOM 1346 O THR A 96 -5.589 3.704 -1.398 1.00 0.00 O ATOM 1347 CB THR A 96 -5.241 6.671 -0.512 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.734 7.914 -0.976 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.524 6.759 0.988 1.00 0.00 C ATOM 0 H THR A 96 -4.379 5.404 -2.892 1.00 0.00 H new ATOM 0 HA THR A 96 -3.367 5.679 -0.092 1.00 0.00 H new ATOM 0 HB THR A 96 -6.166 6.437 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.394 8.619 -0.809 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.259 7.542 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.914 5.804 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.601 6.993 1.519 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.613 3.597 0.577 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.208 2.272 0.883 1.00 0.00 C ATOM 1359 C PHE A 97 -6.144 2.409 2.080 1.00 0.00 C ATOM 1360 O PHE A 97 -5.787 2.983 3.087 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.110 1.280 1.257 1.00 0.00 C ATOM 1362 CG PHE A 97 -2.935 1.354 0.282 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.086 1.884 -1.014 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.677 0.879 0.683 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -1.995 1.932 -1.879 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.594 0.931 -0.183 1.00 0.00 C ATOM 1367 CZ PHE A 97 -0.745 1.458 -1.464 1.00 0.00 C ATOM 0 H PHE A 97 -4.012 3.974 1.310 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.748 1.918 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.759 1.487 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.517 0.269 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.048 2.253 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.551 0.469 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.114 2.336 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.369 0.562 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.100 1.501 -2.135 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.329 1.877 2.006 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.236 1.991 3.181 1.00 0.00 C ATOM 1379 C VAL A 98 -8.638 0.580 3.610 1.00 0.00 C ATOM 1380 O VAL A 98 -9.430 -0.073 2.961 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.464 2.819 2.802 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.611 2.535 3.774 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.106 4.307 2.860 1.00 0.00 C ATOM 0 H VAL A 98 -7.705 1.377 1.200 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.736 2.493 4.009 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.779 2.551 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.480 3.130 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.868 1.476 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.303 2.796 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.979 4.902 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.788 4.566 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.296 4.514 2.161 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.071 0.089 4.680 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.403 -1.295 5.112 1.00 0.00 C ATOM 1395 C VAL A 99 -9.194 -1.292 6.414 1.00 0.00 C ATOM 1396 O VAL A 99 -8.697 -0.924 7.453 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.102 -2.097 5.297 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.281 -3.164 6.386 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -6.771 -2.768 3.978 1.00 0.00 C ATOM 0 H VAL A 99 -7.399 0.583 5.267 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.021 -1.758 4.342 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.296 -1.429 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.352 -3.722 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.537 -2.682 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.081 -3.847 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.851 -3.344 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.586 -3.434 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.638 -2.009 3.207 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.402 -1.763 6.383 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.178 -1.821 7.645 1.00 0.00 C ATOM 1411 C TYR A 100 -10.630 -2.980 8.483 1.00 0.00 C ATOM 1412 O TYR A 100 -10.298 -4.025 7.959 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.660 -2.029 7.348 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.466 -1.281 8.375 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.447 0.117 8.379 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.220 -1.976 9.322 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.180 0.824 9.330 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.956 -1.270 10.276 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.938 0.131 10.282 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.666 0.828 11.226 1.00 0.00 O ATOM 0 H TYR A 100 -10.882 -2.106 5.551 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.079 -0.884 8.192 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.899 -1.672 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.906 -3.091 7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.863 0.650 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.234 -3.056 9.317 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.164 1.904 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.540 -1.805 11.010 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.395 0.264 11.559 1.00 0.00 H new ATOM 1430 N SER A 101 -10.505 -2.807 9.774 1.00 0.00 N ATOM 1431 CA SER A 101 -9.954 -3.894 10.611 1.00 0.00 C ATOM 1432 C SER A 101 -10.742 -3.950 11.931 1.00 0.00 C ATOM 1433 O SER A 101 -10.809 -2.985 12.675 1.00 0.00 O ATOM 1434 CB SER A 101 -8.468 -3.612 10.849 1.00 0.00 C ATOM 1435 OG SER A 101 -7.699 -4.702 10.365 1.00 0.00 O ATOM 0 H SER A 101 -10.763 -1.958 10.277 1.00 0.00 H new ATOM 0 HA SER A 101 -10.048 -4.863 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.175 -2.692 10.342 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.280 -3.464 11.912 1.00 0.00 H new ATOM 0 HG SER A 101 -6.983 -4.366 9.787 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.361 -5.073 12.203 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.170 -5.238 13.452 1.00 0.00 C ATOM 1443 C ILE A 102 -11.450 -6.256 14.354 1.00 0.00 C ATOM 1444 O ILE A 102 -11.483 -7.438 14.079 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.555 -5.785 13.085 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.930 -5.331 11.670 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.595 -5.256 14.076 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.418 -5.580 11.427 1.00 0.00 C ATOM 0 H ILE A 102 -11.339 -5.897 11.602 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.281 -4.283 13.965 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.532 -6.874 13.125 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.703 -4.272 11.545 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.336 -5.873 10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.579 -5.646 13.814 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.334 -5.578 15.084 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.614 -4.167 14.037 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.681 -5.256 10.420 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.631 -6.644 11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.004 -5.018 12.154 1.00 0.00 H new ATOM 1460 N PRO A 103 -10.803 -5.782 15.391 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.033 -6.654 16.340 1.00 0.00 C ATOM 1462 C PRO A 103 -10.943 -7.621 17.109 1.00 0.00 C ATOM 1463 O PRO A 103 -10.698 -8.810 17.136 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.360 -5.650 17.270 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.176 -4.372 17.184 1.00 0.00 C ATOM 1466 CD PRO A 103 -10.752 -4.334 15.770 1.00 0.00 C ATOM 0 HA PRO A 103 -9.323 -7.304 15.829 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.333 -6.026 18.293 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.328 -5.473 16.968 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -10.971 -4.366 17.929 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.553 -3.498 17.375 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.741 -3.876 15.749 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.120 -3.761 15.092 1.00 0.00 H new ATOM 1474 N TRP A 104 -11.971 -7.141 17.749 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.850 -8.076 18.516 1.00 0.00 C ATOM 1476 C TRP A 104 -13.427 -9.168 17.597 1.00 0.00 C ATOM 1477 O TRP A 104 -14.043 -10.105 18.065 1.00 0.00 O ATOM 1478 CB TRP A 104 -13.999 -7.299 19.179 1.00 0.00 C ATOM 1479 CG TRP A 104 -14.972 -6.798 18.154 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.949 -7.536 17.565 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.097 -5.452 17.606 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.651 -6.731 16.688 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.165 -5.441 16.676 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.392 -4.254 17.819 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.520 -4.284 15.985 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -14.749 -3.087 17.124 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -15.811 -3.104 16.209 1.00 0.00 C ATOM 0 H TRP A 104 -12.241 -6.158 17.777 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.244 -8.554 19.286 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.515 -7.943 19.891 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.596 -6.459 19.744 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.145 -8.582 17.752 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.434 -7.052 16.119 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.572 -4.231 18.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.339 -4.301 15.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.202 -2.171 17.295 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.080 -2.203 15.677 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.276 -9.046 16.301 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.849 -10.045 15.387 1.00 0.00 C ATOM 1500 C LEU A 105 -12.828 -10.417 14.307 1.00 0.00 C ATOM 1501 O LEU A 105 -13.165 -11.040 13.320 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.015 -9.349 14.748 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.335 -10.109 14.921 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.500 -11.120 13.784 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.378 -10.838 16.269 1.00 0.00 C ATOM 0 H LEU A 105 -12.773 -8.284 15.846 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.133 -10.961 15.905 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.117 -8.353 15.178 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.814 -9.218 13.685 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.152 -9.388 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.439 -11.659 13.910 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.508 -10.595 12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.671 -11.827 13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.325 -11.369 16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.555 -11.551 16.324 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.284 -10.113 17.078 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.585 -10.050 14.499 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.525 -10.375 13.507 1.00 0.00 C ATOM 1519 C ASN A 106 -11.092 -10.362 12.089 1.00 0.00 C ATOM 1520 O ASN A 106 -10.977 -11.318 11.348 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.959 -11.740 13.846 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.573 -11.895 13.220 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.822 -10.944 13.133 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -8.197 -13.064 12.776 1.00 0.00 N ATOM 0 H ASN A 106 -11.260 -9.531 15.315 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.734 -9.626 13.549 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.895 -11.859 14.928 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.624 -12.521 13.478 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.274 -13.178 12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.826 -13.864 12.848 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.702 -9.276 11.714 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.286 -9.169 10.347 1.00 0.00 C ATOM 1533 C GLN A 107 -11.598 -8.030 9.586 1.00 0.00 C ATOM 1534 O GLN A 107 -11.854 -6.866 9.824 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.785 -8.878 10.455 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.527 -9.608 9.335 1.00 0.00 C ATOM 1537 CD GLN A 107 -15.334 -8.599 8.516 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -16.230 -7.960 9.029 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.051 -8.429 7.253 1.00 0.00 N ATOM 0 H GLN A 107 -11.823 -8.450 12.299 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.135 -10.107 9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.160 -9.202 11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.964 -7.805 10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.817 -10.129 8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.190 -10.364 9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.298 -8.966 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.583 -7.759 6.697 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.725 -8.363 8.677 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.011 -7.316 7.893 1.00 0.00 C ATOM 1550 C ILE A 108 -10.585 -7.292 6.467 1.00 0.00 C ATOM 1551 O ILE A 108 -10.972 -8.314 5.935 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.507 -7.663 7.896 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.720 -6.510 8.531 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.991 -7.946 6.473 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.284 -6.471 8.013 1.00 0.00 C ATOM 0 H ILE A 108 -10.473 -9.323 8.442 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.143 -6.325 8.327 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.363 -8.571 8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.215 -5.564 8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.715 -6.623 9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.929 -8.187 6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.538 -8.787 6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.140 -7.064 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.751 -5.643 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.784 -7.409 8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.291 -6.333 6.932 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.653 -6.145 5.843 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.212 -6.096 4.462 1.00 0.00 C ATOM 1569 C LYS A 109 -10.671 -4.878 3.703 1.00 0.00 C ATOM 1570 O LYS A 109 -10.569 -3.790 4.239 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.737 -6.008 4.538 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.319 -6.018 3.123 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.812 -6.348 3.188 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.593 -5.100 3.603 1.00 0.00 C ATOM 1575 NZ LYS A 109 -16.302 -4.542 2.417 1.00 0.00 N ATOM 0 H LYS A 109 -10.349 -5.250 6.226 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.915 -7.000 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.132 -6.847 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.034 -5.098 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.170 -5.047 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.799 -6.754 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.160 -6.701 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.987 -7.153 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.310 -5.350 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.915 -4.355 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.833 -3.693 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.608 -4.289 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.960 -5.253 2.040 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.341 -5.060 2.450 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.822 -3.926 1.630 1.00 0.00 C ATOM 1591 C LEU A 110 -10.978 -3.006 1.263 1.00 0.00 C ATOM 1592 O LEU A 110 -12.130 -3.388 1.325 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.177 -4.473 0.360 1.00 0.00 C ATOM 1594 CG LEU A 110 -7.890 -3.698 0.071 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.025 -3.646 1.330 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.121 -4.403 -1.038 1.00 0.00 C ATOM 0 H LEU A 110 -10.409 -5.951 1.958 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.079 -3.368 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.957 -5.534 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.866 -4.382 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.139 -2.683 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.109 -3.093 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.575 -3.148 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.773 -4.660 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.202 -3.855 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.875 -5.417 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.735 -4.442 -1.938 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.691 -1.791 0.891 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.801 -0.864 0.539 1.00 0.00 C ATOM 1610 C LEU A 111 -11.313 0.195 -0.437 1.00 0.00 C ATOM 1611 O LEU A 111 -11.451 0.070 -1.638 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.311 -0.179 1.809 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.533 -0.931 2.342 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.159 -1.663 3.632 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.658 0.065 2.630 1.00 0.00 C ATOM 0 H LEU A 111 -9.750 -1.404 0.816 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.605 -1.435 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.525 -0.159 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.574 0.857 1.595 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.868 -1.654 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.029 -2.199 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.357 -2.372 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.824 -0.941 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.529 -0.469 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.323 0.787 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -14.925 0.588 1.712 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.756 1.244 0.077 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.265 2.338 -0.809 1.00 0.00 C ATOM 1629 C GLU A 112 -8.793 2.119 -1.158 1.00 0.00 C ATOM 1630 O GLU A 112 -7.929 2.885 -0.780 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.435 3.690 -0.114 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.709 3.672 0.735 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.274 5.089 0.841 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -12.298 5.774 -0.169 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -12.671 5.468 1.931 1.00 0.00 O ATOM 0 H GLU A 112 -10.616 1.398 1.075 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.851 2.330 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.569 3.899 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.491 4.487 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.448 3.008 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.490 3.281 1.729 1.00 0.00 H new ATOM 1642 N SER A 113 -8.509 1.087 -1.901 1.00 0.00 N ATOM 1643 CA SER A 113 -7.103 0.817 -2.313 1.00 0.00 C ATOM 1644 C SER A 113 -6.949 1.239 -3.770 1.00 0.00 C ATOM 1645 O SER A 113 -7.102 0.444 -4.677 1.00 0.00 O ATOM 1646 CB SER A 113 -6.804 -0.678 -2.174 1.00 0.00 C ATOM 1647 OG SER A 113 -7.948 -1.426 -2.558 1.00 0.00 O ATOM 0 H SER A 113 -9.195 0.414 -2.243 1.00 0.00 H new ATOM 0 HA SER A 113 -6.409 1.373 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.952 -0.949 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.532 -0.911 -1.145 1.00 0.00 H new ATOM 0 HG SER A 113 -8.234 -1.150 -3.454 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.663 2.490 -4.009 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.521 2.960 -5.412 1.00 0.00 C ATOM 1655 C LYS A 114 -5.812 4.311 -5.419 1.00 0.00 C ATOM 1656 O LYS A 114 -5.650 4.939 -4.393 1.00 0.00 O ATOM 1657 CB LYS A 114 -7.905 3.108 -6.044 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.092 2.035 -7.120 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.550 1.573 -7.132 1.00 0.00 C ATOM 1660 CE LYS A 114 -9.610 0.065 -6.875 1.00 0.00 C ATOM 1661 NZ LYS A 114 -10.714 -0.232 -5.919 1.00 0.00 N ATOM 0 H LYS A 114 -6.522 3.204 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.939 2.237 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.677 3.011 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.012 4.100 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.817 2.433 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.433 1.189 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.118 2.106 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.009 1.808 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.772 -0.468 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.660 -0.284 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.755 -1.256 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.540 0.266 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.618 0.087 -6.323 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.380 4.761 -6.559 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.669 6.067 -6.618 1.00 0.00 C ATOM 1677 C CYS A 115 -5.498 7.071 -7.417 1.00 0.00 C ATOM 1678 O CYS A 115 -6.206 6.716 -8.337 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.303 5.882 -7.289 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.705 4.191 -7.022 1.00 0.00 S ATOM 0 H CYS A 115 -5.487 4.283 -7.454 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.527 6.442 -5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.383 6.084 -8.357 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.589 6.598 -6.882 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.410 8.326 -7.071 1.00 0.00 N ATOM 1686 CA GLN A 116 -6.191 9.359 -7.809 1.00 0.00 C ATOM 1687 C GLN A 116 -5.253 10.481 -8.260 1.00 0.00 C ATOM 1688 CB GLN A 116 -7.271 9.934 -6.892 1.00 0.00 C ATOM 1689 CG GLN A 116 -8.075 10.991 -7.653 1.00 0.00 C ATOM 1690 CD GLN A 116 -9.350 10.359 -8.211 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -10.146 9.813 -7.473 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -9.581 10.409 -9.494 1.00 0.00 N ATOM 0 H GLN A 116 -4.831 8.681 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.661 8.905 -8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.931 9.139 -6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.814 10.376 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.327 11.819 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.476 11.404 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.914 10.867 -10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.429 9.990 -9.876 1.00 0.00 H new TER 1701 GLN A 116