USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 947 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 68 SER OG : rot 138:sc= 1.95 USER MOD Set 1.2: A 110 GLN : amide:sc= -0.877! C(o=1.1!,f=-12!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 163:sc= 0.593 (180deg=0.378) USER MOD Set 2.2: A 54 GLN : amide:sc= -5.35! C(o=-4.8!,f=-7.4!) USER MOD Set 3.1: A 35 SER OG : rot 165:sc= 2.21 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 166:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 12 GLN : amide:sc= 2.25 K(o=4.8,f=-2.7!) USER MOD Set 4.2: A 44 TYR OH : rot -30:sc= 1.21 USER MOD Set 4.3: A 104 TYR OH : rot -155:sc= 1.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0822 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0474 USER MOD Single : A 14 SER OG : rot 94:sc= 1.24 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0176 (180deg=-0.157) USER MOD Single : A 22 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -2.01 K(o=-2,f=-0.3) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.966 (180deg=0.444) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 1.72 (180deg=0.629) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 161:sc= -0.0995 (180deg=-0.542) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 59 ASN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.775 K(o=0.77,f=-6.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.0784 X(o=0.078,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= 1.51 (180deg=0.511) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0.939 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 98 ASN : amide:sc= -1.92! X(o=-1.9!,f=-2.1) USER MOD Single : A 99 LYS NZ :NH3+ -158:sc= -0.491! (180deg=-2.86!) USER MOD Single : A 102 SER OG : rot 68:sc= 1.25 USER MOD Single : A 105 THR OG1 : rot 19:sc= 0.71 USER MOD Single : A 107 MET CE :methyl -163:sc= -0.597 (180deg=-1.23!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.779 16.758 -17.729 1.00 0.00 N ATOM 2 CA MET A 1 -3.932 16.848 -16.284 1.00 0.00 C ATOM 3 C MET A 1 -4.745 15.680 -15.787 1.00 0.00 C ATOM 4 O MET A 1 -5.485 15.050 -16.559 1.00 0.00 O ATOM 5 CB MET A 1 -4.590 18.173 -15.857 1.00 0.00 C ATOM 6 CG MET A 1 -3.734 19.407 -16.087 1.00 0.00 C ATOM 7 SD MET A 1 -4.537 20.923 -15.535 1.00 0.00 S ATOM 8 CE MET A 1 -3.273 22.131 -15.933 1.00 0.00 C ATOM 0 H1 MET A 1 -2.771 16.665 -17.966 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.296 15.927 -18.082 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.161 17.617 -18.173 1.00 0.00 H new ATOM 0 HA MET A 1 -2.937 16.820 -15.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.527 18.290 -16.401 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.842 18.114 -14.798 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.787 19.290 -15.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.501 19.490 -17.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.618 23.126 -15.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.360 21.895 -15.387 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.071 22.107 -17.004 1.00 0.00 H new ATOM 20 N ALA A 2 -4.612 15.393 -14.520 1.00 0.00 N ATOM 21 CA ALA A 2 -5.295 14.293 -13.902 1.00 0.00 C ATOM 22 C ALA A 2 -6.710 14.695 -13.517 1.00 0.00 C ATOM 23 O ALA A 2 -6.941 15.784 -12.978 1.00 0.00 O ATOM 24 CB ALA A 2 -4.520 13.814 -12.685 1.00 0.00 C ATOM 0 H ALA A 2 -4.019 15.924 -13.882 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.358 13.472 -14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.047 12.979 -12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.525 13.490 -12.991 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.431 14.629 -11.966 1.00 0.00 H new ATOM 30 N GLU A 3 -7.645 13.830 -13.797 1.00 0.00 N ATOM 31 CA GLU A 3 -9.037 14.082 -13.524 1.00 0.00 C ATOM 32 C GLU A 3 -9.585 13.001 -12.616 1.00 0.00 C ATOM 33 O GLU A 3 -8.905 12.010 -12.348 1.00 0.00 O ATOM 34 CB GLU A 3 -9.835 14.125 -14.823 1.00 0.00 C ATOM 35 CG GLU A 3 -9.517 15.296 -15.732 1.00 0.00 C ATOM 36 CD GLU A 3 -10.260 15.207 -17.034 1.00 0.00 C ATOM 37 OE1 GLU A 3 -11.510 15.322 -17.036 1.00 0.00 O ATOM 38 OE2 GLU A 3 -9.617 14.976 -18.079 1.00 0.00 O ATOM 0 H GLU A 3 -7.463 12.922 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.128 15.048 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.658 13.200 -15.372 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.897 14.152 -14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.775 16.228 -15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.445 15.325 -15.926 1.00 0.00 H new ATOM 45 N GLY A 4 -10.774 13.208 -12.106 1.00 0.00 N ATOM 46 CA GLY A 4 -11.433 12.208 -11.292 1.00 0.00 C ATOM 47 C GLY A 4 -11.174 12.371 -9.809 1.00 0.00 C ATOM 48 O GLY A 4 -12.050 12.089 -8.984 1.00 0.00 O ATOM 0 H GLY A 4 -11.311 14.065 -12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.507 12.254 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.099 11.219 -11.605 1.00 0.00 H new ATOM 52 N GLY A 5 -9.988 12.818 -9.468 1.00 0.00 N ATOM 53 CA GLY A 5 -9.621 12.969 -8.088 1.00 0.00 C ATOM 54 C GLY A 5 -9.145 11.654 -7.536 1.00 0.00 C ATOM 55 O GLY A 5 -7.965 11.304 -7.666 1.00 0.00 O ATOM 0 H GLY A 5 -9.262 13.083 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.836 13.719 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.475 13.326 -7.513 1.00 0.00 H new ATOM 59 N ALA A 6 -10.046 10.907 -6.972 1.00 0.00 N ATOM 60 CA ALA A 6 -9.741 9.605 -6.455 1.00 0.00 C ATOM 61 C ALA A 6 -10.833 8.635 -6.860 1.00 0.00 C ATOM 62 O ALA A 6 -11.877 9.052 -7.381 1.00 0.00 O ATOM 63 CB ALA A 6 -9.548 9.638 -4.941 1.00 0.00 C ATOM 0 H ALA A 6 -11.021 11.185 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.797 9.266 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.318 8.635 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.726 10.309 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.462 9.993 -4.465 1.00 0.00 H new ATOM 69 N ALA A 7 -10.600 7.368 -6.655 1.00 0.00 N ATOM 70 CA ALA A 7 -11.563 6.356 -7.023 1.00 0.00 C ATOM 71 C ALA A 7 -12.553 6.122 -5.926 1.00 0.00 C ATOM 72 O ALA A 7 -12.342 6.522 -4.767 1.00 0.00 O ATOM 73 CB ALA A 7 -10.871 5.055 -7.314 1.00 0.00 C ATOM 0 H ALA A 7 -9.746 7.005 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.083 6.716 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.611 4.303 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.169 5.192 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.330 4.724 -6.427 1.00 0.00 H new ATOM 79 N ASP A 8 -13.636 5.498 -6.293 1.00 0.00 N ATOM 80 CA ASP A 8 -14.613 5.026 -5.355 1.00 0.00 C ATOM 81 C ASP A 8 -14.022 3.982 -4.488 1.00 0.00 C ATOM 82 O ASP A 8 -13.213 3.204 -4.938 1.00 0.00 O ATOM 83 CB ASP A 8 -15.839 4.472 -6.063 1.00 0.00 C ATOM 84 CG ASP A 8 -16.755 3.724 -5.133 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.398 4.356 -4.276 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.786 2.483 -5.197 1.00 0.00 O ATOM 0 H ASP A 8 -13.868 5.300 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.926 5.873 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.388 5.292 -6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.521 3.807 -6.866 1.00 0.00 H new ATOM 91 N LEU A 9 -14.419 4.003 -3.251 1.00 0.00 N ATOM 92 CA LEU A 9 -14.059 3.070 -2.227 1.00 0.00 C ATOM 93 C LEU A 9 -14.022 1.658 -2.728 1.00 0.00 C ATOM 94 O LEU A 9 -12.996 0.992 -2.708 1.00 0.00 O ATOM 95 CB LEU A 9 -15.159 3.160 -1.215 1.00 0.00 C ATOM 96 CG LEU A 9 -15.051 4.203 -0.154 1.00 0.00 C ATOM 97 CD1 LEU A 9 -14.045 3.734 0.817 1.00 0.00 C ATOM 98 CD2 LEU A 9 -14.668 5.591 -0.681 1.00 0.00 C ATOM 0 H LEU A 9 -15.050 4.727 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.067 3.307 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.093 3.325 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.240 2.191 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.034 4.331 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.936 4.471 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.367 2.784 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.088 3.599 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.610 6.293 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.700 5.537 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.422 5.931 -1.391 1.00 0.00 H new ATOM 110 N ASP A 10 -15.106 1.252 -3.250 1.00 0.00 N ATOM 111 CA ASP A 10 -15.239 -0.156 -3.672 1.00 0.00 C ATOM 112 C ASP A 10 -14.446 -0.415 -4.931 1.00 0.00 C ATOM 113 O ASP A 10 -13.967 -1.528 -5.169 1.00 0.00 O ATOM 114 CB ASP A 10 -16.687 -0.613 -3.831 1.00 0.00 C ATOM 115 CG ASP A 10 -16.776 -2.102 -4.120 1.00 0.00 C ATOM 116 OD1 ASP A 10 -16.707 -2.908 -3.162 1.00 0.00 O ATOM 117 OD2 ASP A 10 -16.917 -2.503 -5.301 1.00 0.00 O ATOM 0 H ASP A 10 -15.928 1.834 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.825 -0.756 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.243 -0.385 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.158 -0.056 -4.641 1.00 0.00 H new ATOM 122 N THR A 11 -14.243 0.628 -5.695 1.00 0.00 N ATOM 123 CA THR A 11 -13.452 0.572 -6.846 1.00 0.00 C ATOM 124 C THR A 11 -11.992 0.356 -6.433 1.00 0.00 C ATOM 125 O THR A 11 -11.319 -0.506 -6.963 1.00 0.00 O ATOM 126 CB THR A 11 -13.614 1.898 -7.603 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.824 1.934 -8.368 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.416 2.241 -8.425 1.00 0.00 C ATOM 0 H THR A 11 -14.642 1.548 -5.510 1.00 0.00 H new ATOM 0 HA THR A 11 -13.755 -0.251 -7.493 1.00 0.00 H new ATOM 0 HB THR A 11 -13.695 2.677 -6.845 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.891 2.794 -8.833 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.586 3.188 -8.938 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.544 2.331 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.242 1.456 -9.161 1.00 0.00 H new ATOM 136 N GLN A 12 -11.566 1.108 -5.428 1.00 0.00 N ATOM 137 CA GLN A 12 -10.203 1.115 -4.953 1.00 0.00 C ATOM 138 C GLN A 12 -9.713 -0.274 -4.570 1.00 0.00 C ATOM 139 O GLN A 12 -8.783 -0.787 -5.177 1.00 0.00 O ATOM 140 CB GLN A 12 -10.071 2.014 -3.758 1.00 0.00 C ATOM 141 CG GLN A 12 -10.417 3.477 -3.988 1.00 0.00 C ATOM 142 CD GLN A 12 -10.122 4.365 -2.793 1.00 0.00 C ATOM 143 OE1 GLN A 12 -9.255 4.075 -1.982 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.790 5.485 -2.717 1.00 0.00 N ATOM 0 H GLN A 12 -12.177 1.742 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.590 1.480 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.712 1.629 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.045 1.956 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.858 3.843 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.475 3.557 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.508 5.699 -3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.594 6.146 -1.965 1.00 0.00 H new ATOM 153 N ARG A 13 -10.371 -0.882 -3.581 1.00 0.00 N ATOM 154 CA ARG A 13 -10.030 -2.235 -3.108 1.00 0.00 C ATOM 155 C ARG A 13 -9.945 -3.244 -4.250 1.00 0.00 C ATOM 156 O ARG A 13 -9.025 -4.043 -4.325 1.00 0.00 O ATOM 157 CB ARG A 13 -11.053 -2.716 -2.074 1.00 0.00 C ATOM 158 CG ARG A 13 -12.466 -2.356 -2.423 1.00 0.00 C ATOM 159 CD ARG A 13 -13.513 -3.191 -1.708 1.00 0.00 C ATOM 160 NE ARG A 13 -13.323 -4.638 -1.901 1.00 0.00 N ATOM 161 CZ ARG A 13 -14.307 -5.542 -2.022 1.00 0.00 C ATOM 162 NH1 ARG A 13 -15.548 -5.154 -2.320 1.00 0.00 N ATOM 163 NH2 ARG A 13 -14.028 -6.835 -1.932 1.00 0.00 N ATOM 0 H ARG A 13 -11.153 -0.456 -3.084 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.044 -2.169 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.976 -3.799 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.806 -2.288 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.631 -1.305 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.602 -2.465 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.484 -2.965 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.503 -2.909 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.364 -4.982 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.754 -4.164 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.291 -5.847 -2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.068 -7.140 -1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.773 -7.525 -2.023 1.00 0.00 H new ATOM 177 N SER A 14 -10.868 -3.134 -5.146 1.00 0.00 N ATOM 178 CA SER A 14 -11.007 -4.024 -6.248 1.00 0.00 C ATOM 179 C SER A 14 -9.902 -3.808 -7.301 1.00 0.00 C ATOM 180 O SER A 14 -9.280 -4.758 -7.772 1.00 0.00 O ATOM 181 CB SER A 14 -12.370 -3.759 -6.839 1.00 0.00 C ATOM 182 OG SER A 14 -13.409 -4.061 -5.902 1.00 0.00 O ATOM 0 H SER A 14 -11.571 -2.395 -5.130 1.00 0.00 H new ATOM 0 HA SER A 14 -10.909 -5.058 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.441 -2.714 -7.141 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.502 -4.360 -7.739 1.00 0.00 H new ATOM 0 HG SER A 14 -13.662 -3.246 -5.420 1.00 0.00 H new ATOM 188 N ASP A 15 -9.635 -2.554 -7.604 1.00 0.00 N ATOM 189 CA ASP A 15 -8.702 -2.166 -8.666 1.00 0.00 C ATOM 190 C ASP A 15 -7.255 -2.352 -8.222 1.00 0.00 C ATOM 191 O ASP A 15 -6.339 -2.396 -9.035 1.00 0.00 O ATOM 192 CB ASP A 15 -8.957 -0.711 -9.060 1.00 0.00 C ATOM 193 CG ASP A 15 -8.399 -0.355 -10.409 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.332 -1.216 -11.296 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.976 0.798 -10.613 1.00 0.00 O ATOM 0 H ASP A 15 -10.058 -1.761 -7.121 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.868 -2.810 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.031 -0.524 -9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.518 -0.056 -8.308 1.00 0.00 H new ATOM 200 N ILE A 16 -7.060 -2.419 -6.929 1.00 0.00 N ATOM 201 CA ILE A 16 -5.771 -2.671 -6.335 1.00 0.00 C ATOM 202 C ILE A 16 -5.544 -4.148 -6.208 1.00 0.00 C ATOM 203 O ILE A 16 -4.419 -4.608 -6.397 1.00 0.00 O ATOM 204 CB ILE A 16 -5.654 -1.961 -4.959 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.615 -0.442 -5.131 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.483 -2.453 -4.129 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.486 0.052 -6.004 1.00 0.00 C ATOM 0 H ILE A 16 -7.808 -2.297 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.996 -2.262 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.551 -2.224 -4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.562 -0.111 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.530 0.022 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.458 -1.917 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.595 -3.521 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.554 -2.276 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.530 1.139 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.532 -0.245 -5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.580 -0.381 -7.000 1.00 0.00 H new ATOM 219 N ALA A 17 -6.632 -4.900 -6.014 1.00 0.00 N ATOM 220 CA ALA A 17 -6.561 -6.340 -5.827 1.00 0.00 C ATOM 221 C ALA A 17 -5.922 -6.960 -7.032 1.00 0.00 C ATOM 222 O ALA A 17 -5.150 -7.890 -6.921 1.00 0.00 O ATOM 223 CB ALA A 17 -7.943 -6.930 -5.588 1.00 0.00 C ATOM 0 H ALA A 17 -7.579 -4.523 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.958 -6.555 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.860 -8.008 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.380 -6.484 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.581 -6.721 -6.447 1.00 0.00 H new ATOM 229 N THR A 18 -6.214 -6.369 -8.165 1.00 0.00 N ATOM 230 CA THR A 18 -5.703 -6.699 -9.443 1.00 0.00 C ATOM 231 C THR A 18 -4.175 -6.710 -9.437 1.00 0.00 C ATOM 232 O THR A 18 -3.529 -7.658 -9.865 1.00 0.00 O ATOM 233 CB THR A 18 -6.152 -5.581 -10.352 1.00 0.00 C ATOM 234 OG1 THR A 18 -7.537 -5.298 -10.094 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.974 -5.929 -11.774 1.00 0.00 C ATOM 0 H THR A 18 -6.867 -5.586 -8.204 1.00 0.00 H new ATOM 0 HA THR A 18 -6.051 -7.684 -9.753 1.00 0.00 H new ATOM 0 HB THR A 18 -5.538 -4.704 -10.147 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.837 -4.571 -10.679 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.309 -5.099 -12.396 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.921 -6.128 -11.971 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.561 -6.817 -12.007 1.00 0.00 H new ATOM 243 N LEU A 19 -3.599 -5.668 -9.004 1.00 0.00 N ATOM 244 CA LEU A 19 -2.245 -5.601 -8.966 1.00 0.00 C ATOM 245 C LEU A 19 -1.591 -6.473 -7.880 1.00 0.00 C ATOM 246 O LEU A 19 -0.406 -6.746 -7.946 1.00 0.00 O ATOM 247 CB LEU A 19 -1.905 -4.188 -8.884 1.00 0.00 C ATOM 248 CG LEU A 19 -2.276 -3.371 -10.113 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.156 -4.080 -11.460 1.00 0.00 C ATOM 250 CD2 LEU A 19 -3.466 -2.471 -9.995 1.00 0.00 C ATOM 0 H LEU A 19 -4.083 -4.836 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.826 -6.039 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.404 -3.758 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.832 -4.096 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.444 -2.667 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.447 -3.397 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.125 -4.398 -11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.810 -4.952 -11.472 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.621 -1.947 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.349 -3.065 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.295 -1.744 -9.201 1.00 0.00 H new ATOM 262 N LEU A 20 -2.372 -6.932 -6.930 1.00 0.00 N ATOM 263 CA LEU A 20 -1.853 -7.819 -5.864 1.00 0.00 C ATOM 264 C LEU A 20 -1.888 -9.259 -6.338 1.00 0.00 C ATOM 265 O LEU A 20 -1.131 -10.113 -5.880 1.00 0.00 O ATOM 266 CB LEU A 20 -2.745 -7.735 -4.641 1.00 0.00 C ATOM 267 CG LEU A 20 -3.232 -6.354 -4.302 1.00 0.00 C ATOM 268 CD1 LEU A 20 -4.129 -6.394 -3.086 1.00 0.00 C ATOM 269 CD2 LEU A 20 -2.083 -5.377 -4.092 1.00 0.00 C ATOM 0 H LEU A 20 -3.367 -6.719 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.836 -7.507 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.609 -8.381 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.200 -8.132 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.808 -5.993 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.473 -5.386 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.989 -7.033 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.573 -6.792 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.482 -4.392 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.454 -5.726 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.489 -5.313 -5.004 1.00 0.00 H new ATOM 281 N LYS A 21 -2.766 -9.512 -7.287 1.00 0.00 N ATOM 282 CA LYS A 21 -3.022 -10.843 -7.772 1.00 0.00 C ATOM 283 C LYS A 21 -2.139 -11.184 -8.935 1.00 0.00 C ATOM 284 O LYS A 21 -2.153 -12.288 -9.467 1.00 0.00 O ATOM 285 CB LYS A 21 -4.503 -11.013 -8.071 1.00 0.00 C ATOM 286 CG LYS A 21 -5.133 -10.021 -8.969 1.00 0.00 C ATOM 287 CD LYS A 21 -4.795 -10.201 -10.456 1.00 0.00 C ATOM 288 CE LYS A 21 -5.321 -11.497 -11.023 1.00 0.00 C ATOM 289 NZ LYS A 21 -6.790 -11.579 -10.956 1.00 0.00 N ATOM 0 H LYS A 21 -3.324 -8.790 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.768 -11.561 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.648 -12.002 -8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.042 -11.000 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.215 -10.075 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.826 -9.022 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.211 -9.367 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.713 -10.166 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.001 -11.594 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.887 -12.334 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.120 -12.380 -11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.085 -11.718 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.204 -10.697 -11.321 1.00 0.00 H new ATOM 303 N THR A 22 -1.406 -10.219 -9.316 1.00 0.00 N ATOM 304 CA THR A 22 -0.485 -10.265 -10.355 1.00 0.00 C ATOM 305 C THR A 22 0.881 -10.686 -9.853 1.00 0.00 C ATOM 306 O THR A 22 1.308 -10.339 -8.750 1.00 0.00 O ATOM 307 CB THR A 22 -0.460 -8.884 -11.006 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.710 -8.622 -11.669 1.00 0.00 O ATOM 309 CG2 THR A 22 0.663 -8.758 -11.948 1.00 0.00 C ATOM 0 H THR A 22 -1.443 -9.304 -8.867 1.00 0.00 H new ATOM 0 HA THR A 22 -0.774 -11.012 -11.094 1.00 0.00 H new ATOM 0 HB THR A 22 -0.318 -8.142 -10.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.377 -8.340 -11.009 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.653 -7.764 -12.395 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.603 -8.908 -11.416 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.566 -9.509 -12.732 1.00 0.00 H new ATOM 317 N SER A 23 1.511 -11.468 -10.659 1.00 0.00 N ATOM 318 CA SER A 23 2.798 -11.962 -10.418 1.00 0.00 C ATOM 319 C SER A 23 3.791 -11.318 -11.329 1.00 0.00 C ATOM 320 O SER A 23 3.458 -10.658 -12.321 1.00 0.00 O ATOM 321 CB SER A 23 2.773 -13.441 -10.588 1.00 0.00 C ATOM 322 OG SER A 23 1.951 -14.049 -9.608 1.00 0.00 O ATOM 0 H SER A 23 1.114 -11.788 -11.542 1.00 0.00 H new ATOM 0 HA SER A 23 3.106 -11.724 -9.400 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.404 -13.690 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.786 -13.837 -10.515 1.00 0.00 H new ATOM 0 HG SER A 23 1.948 -15.020 -9.740 1.00 0.00 H new ATOM 328 N LEU A 24 4.994 -11.516 -10.975 1.00 0.00 N ATOM 329 CA LEU A 24 6.064 -10.890 -11.535 1.00 0.00 C ATOM 330 C LEU A 24 6.899 -11.768 -12.396 1.00 0.00 C ATOM 331 O LEU A 24 6.812 -13.002 -12.378 1.00 0.00 O ATOM 332 CB LEU A 24 6.888 -10.241 -10.437 1.00 0.00 C ATOM 333 CG LEU A 24 7.053 -11.025 -9.120 1.00 0.00 C ATOM 334 CD1 LEU A 24 5.850 -11.017 -8.241 1.00 0.00 C ATOM 335 CD2 LEU A 24 7.627 -12.387 -9.323 1.00 0.00 C ATOM 0 H LEU A 24 5.251 -12.168 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 24 5.676 -10.129 -12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.882 -10.039 -10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.437 -9.277 -10.202 1.00 0.00 H new ATOM 0 HG LEU A 24 7.798 -10.464 -8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.055 -11.592 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.605 -9.990 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.009 -11.463 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.719 -12.890 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.971 -12.965 -9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.611 -12.302 -9.784 1.00 0.00 H new ATOM 347 N ARG A 25 7.709 -11.096 -13.091 1.00 0.00 N ATOM 348 CA ARG A 25 8.638 -11.613 -14.039 1.00 0.00 C ATOM 349 C ARG A 25 9.962 -11.045 -13.629 1.00 0.00 C ATOM 350 O ARG A 25 9.988 -10.041 -12.925 1.00 0.00 O ATOM 351 CB ARG A 25 8.328 -11.097 -15.467 1.00 0.00 C ATOM 352 CG ARG A 25 6.926 -11.357 -16.016 1.00 0.00 C ATOM 353 CD ARG A 25 5.829 -10.565 -15.298 1.00 0.00 C ATOM 354 NE ARG A 25 6.006 -9.104 -15.375 1.00 0.00 N ATOM 355 CZ ARG A 25 5.013 -8.195 -15.301 1.00 0.00 C ATOM 356 NH1 ARG A 25 3.741 -8.580 -15.207 1.00 0.00 N ATOM 357 NH2 ARG A 25 5.302 -6.903 -15.322 1.00 0.00 N ATOM 0 H ARG A 25 7.758 -10.080 -13.019 1.00 0.00 H new ATOM 0 HA ARG A 25 8.606 -12.702 -14.057 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.502 -10.021 -15.482 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.047 -11.546 -16.152 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.908 -11.106 -17.077 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.705 -12.421 -15.936 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.863 -10.828 -15.728 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.804 -10.864 -14.250 1.00 0.00 H new ATOM 0 HE ARG A 25 6.956 -8.752 -15.494 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.509 -9.573 -15.190 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.000 -7.882 -15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.273 -6.599 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.554 -6.212 -15.266 1.00 0.00 H new ATOM 371 N LYS A 26 11.028 -11.636 -14.047 1.00 0.00 N ATOM 372 CA LYS A 26 12.339 -11.148 -13.692 1.00 0.00 C ATOM 373 C LYS A 26 12.615 -9.786 -14.347 1.00 0.00 C ATOM 374 O LYS A 26 12.327 -9.586 -15.535 1.00 0.00 O ATOM 375 CB LYS A 26 13.414 -12.165 -14.078 1.00 0.00 C ATOM 376 CG LYS A 26 13.435 -12.534 -15.564 1.00 0.00 C ATOM 377 CD LYS A 26 14.552 -13.507 -15.892 1.00 0.00 C ATOM 378 CE LYS A 26 15.903 -12.901 -15.577 1.00 0.00 C ATOM 379 NZ LYS A 26 17.008 -13.797 -15.942 1.00 0.00 N ATOM 0 H LYS A 26 11.029 -12.466 -14.640 1.00 0.00 H new ATOM 0 HA LYS A 26 12.369 -11.012 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.390 -11.766 -13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.264 -13.073 -13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.477 -12.974 -15.842 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.555 -11.630 -16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.419 -14.426 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.507 -13.777 -16.947 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.010 -11.957 -16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.958 -12.673 -14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.914 -13.343 -15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.921 -14.688 -15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.972 -13.995 -16.962 1.00 0.00 H new ATOM 393 N GLY A 27 13.105 -8.850 -13.561 1.00 0.00 N ATOM 394 CA GLY A 27 13.466 -7.553 -14.088 1.00 0.00 C ATOM 395 C GLY A 27 12.408 -6.490 -13.860 1.00 0.00 C ATOM 396 O GLY A 27 12.611 -5.319 -14.214 1.00 0.00 O ATOM 0 H GLY A 27 13.261 -8.963 -12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.399 -7.230 -13.627 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.653 -7.644 -15.158 1.00 0.00 H new ATOM 400 N ASP A 28 11.291 -6.869 -13.276 1.00 0.00 N ATOM 401 CA ASP A 28 10.194 -5.919 -13.062 1.00 0.00 C ATOM 402 C ASP A 28 10.347 -5.150 -11.761 1.00 0.00 C ATOM 403 O ASP A 28 11.005 -5.610 -10.824 1.00 0.00 O ATOM 404 CB ASP A 28 8.811 -6.590 -13.136 1.00 0.00 C ATOM 405 CG ASP A 28 8.375 -6.928 -14.550 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.835 -6.040 -15.251 1.00 0.00 O ATOM 407 OD2 ASP A 28 8.497 -8.081 -14.972 1.00 0.00 O ATOM 0 H ASP A 28 11.109 -7.815 -12.940 1.00 0.00 H new ATOM 0 HA ASP A 28 10.256 -5.204 -13.882 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.827 -7.503 -12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.071 -5.929 -12.685 1.00 0.00 H new ATOM 412 N THR A 29 9.747 -3.986 -11.713 1.00 0.00 N ATOM 413 CA THR A 29 9.819 -3.123 -10.561 1.00 0.00 C ATOM 414 C THR A 29 8.467 -3.090 -9.835 1.00 0.00 C ATOM 415 O THR A 29 7.396 -3.039 -10.465 1.00 0.00 O ATOM 416 CB THR A 29 10.208 -1.689 -10.996 1.00 0.00 C ATOM 417 OG1 THR A 29 11.430 -1.734 -11.764 1.00 0.00 O ATOM 418 CG2 THR A 29 10.408 -0.779 -9.789 1.00 0.00 C ATOM 0 H THR A 29 9.190 -3.608 -12.480 1.00 0.00 H new ATOM 0 HA THR A 29 10.578 -3.513 -9.883 1.00 0.00 H new ATOM 0 HB THR A 29 9.396 -1.286 -11.601 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.676 -0.827 -12.041 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.680 0.221 -10.128 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.483 -0.728 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.204 -1.178 -9.160 1.00 0.00 H new ATOM 426 N TRP A 30 8.529 -3.167 -8.537 1.00 0.00 N ATOM 427 CA TRP A 30 7.393 -3.090 -7.674 1.00 0.00 C ATOM 428 C TRP A 30 7.623 -1.943 -6.719 1.00 0.00 C ATOM 429 O TRP A 30 8.759 -1.559 -6.467 1.00 0.00 O ATOM 430 CB TRP A 30 7.182 -4.418 -6.897 1.00 0.00 C ATOM 431 CG TRP A 30 6.772 -5.574 -7.784 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.505 -6.169 -8.764 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.525 -6.278 -7.747 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.772 -7.138 -9.378 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.557 -7.239 -8.760 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.389 -6.175 -6.964 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.481 -8.091 -9.013 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.327 -7.019 -7.205 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.380 -7.965 -8.224 1.00 0.00 C ATOM 0 H TRP A 30 9.408 -3.290 -8.034 1.00 0.00 H new ATOM 0 HA TRP A 30 6.490 -2.924 -8.262 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.105 -4.677 -6.378 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.419 -4.267 -6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.522 -5.910 -9.018 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.080 -7.699 -10.172 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.335 -5.442 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.521 -8.823 -9.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.440 -6.945 -6.594 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.531 -8.611 -8.392 1.00 0.00 H new ATOM 450 N TYR A 31 6.586 -1.384 -6.236 1.00 0.00 N ATOM 451 CA TYR A 31 6.668 -0.297 -5.327 1.00 0.00 C ATOM 452 C TYR A 31 6.319 -0.742 -3.968 1.00 0.00 C ATOM 453 O TYR A 31 5.316 -1.434 -3.763 1.00 0.00 O ATOM 454 CB TYR A 31 5.798 0.836 -5.757 1.00 0.00 C ATOM 455 CG TYR A 31 6.359 1.570 -6.950 1.00 0.00 C ATOM 456 CD1 TYR A 31 6.142 1.137 -8.247 1.00 0.00 C ATOM 457 CD2 TYR A 31 7.131 2.698 -6.761 1.00 0.00 C ATOM 458 CE1 TYR A 31 6.681 1.816 -9.321 1.00 0.00 C ATOM 459 CE2 TYR A 31 7.672 3.383 -7.819 1.00 0.00 C ATOM 460 CZ TYR A 31 7.445 2.937 -9.104 1.00 0.00 C ATOM 461 OH TYR A 31 7.989 3.614 -10.174 1.00 0.00 O ATOM 0 H TYR A 31 5.633 -1.669 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 31 7.696 0.064 -5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.806 0.457 -6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.678 1.533 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.543 0.256 -8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.314 3.050 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.503 1.468 -10.328 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.271 4.265 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 31 8.500 4.384 -9.848 1.00 0.00 H new ATOM 471 N LEU A 32 7.174 -0.411 -3.066 1.00 0.00 N ATOM 472 CA LEU A 32 7.061 -0.776 -1.754 1.00 0.00 C ATOM 473 C LEU A 32 6.276 0.242 -0.912 1.00 0.00 C ATOM 474 O LEU A 32 6.546 1.451 -0.930 1.00 0.00 O ATOM 475 CB LEU A 32 8.470 -1.068 -1.239 1.00 0.00 C ATOM 476 CG LEU A 32 8.542 -1.636 0.104 1.00 0.00 C ATOM 477 CD1 LEU A 32 7.691 -2.808 0.056 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.946 -2.036 0.430 1.00 0.00 C ATOM 0 H LEU A 32 8.002 0.150 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 32 6.457 -1.679 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.956 -1.755 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.043 -0.141 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 32 8.229 -0.923 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.689 -3.296 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.675 -2.510 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.068 -3.501 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.980 -2.457 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.288 -2.782 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.594 -1.161 0.381 1.00 0.00 H new ATOM 490 N VAL A 33 5.305 -0.300 -0.203 1.00 0.00 N ATOM 491 CA VAL A 33 4.380 0.408 0.662 1.00 0.00 C ATOM 492 C VAL A 33 4.561 -0.084 2.066 1.00 0.00 C ATOM 493 O VAL A 33 4.783 -1.269 2.271 1.00 0.00 O ATOM 494 CB VAL A 33 2.904 0.075 0.244 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.865 0.572 1.244 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.604 0.643 -1.094 1.00 0.00 C ATOM 0 H VAL A 33 5.130 -1.305 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 33 4.569 1.479 0.585 1.00 0.00 H new ATOM 0 HB VAL A 33 2.837 -1.013 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.867 0.308 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.043 0.108 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.941 1.655 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.577 0.403 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.729 1.725 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.286 0.218 -1.831 1.00 0.00 H new ATOM 506 N ASP A 34 4.516 0.807 3.010 1.00 0.00 N ATOM 507 CA ASP A 34 4.460 0.433 4.403 1.00 0.00 C ATOM 508 C ASP A 34 3.140 -0.296 4.643 1.00 0.00 C ATOM 509 O ASP A 34 2.052 0.242 4.363 1.00 0.00 O ATOM 510 CB ASP A 34 4.572 1.666 5.287 1.00 0.00 C ATOM 511 CG ASP A 34 4.230 1.384 6.717 1.00 0.00 C ATOM 512 OD1 ASP A 34 5.049 0.800 7.451 1.00 0.00 O ATOM 513 OD2 ASP A 34 3.127 1.753 7.124 1.00 0.00 O ATOM 0 H ASP A 34 4.517 1.813 2.844 1.00 0.00 H new ATOM 0 HA ASP A 34 5.293 -0.223 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.588 2.057 5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.910 2.443 4.906 1.00 0.00 H new ATOM 518 N SER A 35 3.225 -1.507 5.150 1.00 0.00 N ATOM 519 CA SER A 35 2.066 -2.368 5.280 1.00 0.00 C ATOM 520 C SER A 35 1.081 -1.767 6.287 1.00 0.00 C ATOM 521 O SER A 35 -0.127 -1.942 6.170 1.00 0.00 O ATOM 522 CB SER A 35 2.514 -3.742 5.768 1.00 0.00 C ATOM 523 OG SER A 35 1.506 -4.714 5.607 1.00 0.00 O ATOM 0 H SER A 35 4.095 -1.923 5.483 1.00 0.00 H new ATOM 0 HA SER A 35 1.575 -2.461 4.311 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.405 -4.049 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.793 -3.680 6.820 1.00 0.00 H new ATOM 0 HG SER A 35 1.897 -5.608 5.696 1.00 0.00 H new ATOM 529 N ARG A 36 1.611 -0.999 7.223 1.00 0.00 N ATOM 530 CA ARG A 36 0.838 -0.387 8.289 1.00 0.00 C ATOM 531 C ARG A 36 -0.109 0.658 7.719 1.00 0.00 C ATOM 532 O ARG A 36 -1.233 0.838 8.219 1.00 0.00 O ATOM 533 CB ARG A 36 1.788 0.245 9.282 1.00 0.00 C ATOM 534 CG ARG A 36 2.776 -0.737 9.835 1.00 0.00 C ATOM 535 CD ARG A 36 3.941 -0.048 10.491 1.00 0.00 C ATOM 536 NE ARG A 36 4.917 -1.030 10.951 1.00 0.00 N ATOM 537 CZ ARG A 36 5.900 -1.547 10.197 1.00 0.00 C ATOM 538 NH1 ARG A 36 6.146 -1.096 8.971 1.00 0.00 N ATOM 539 NH2 ARG A 36 6.663 -2.503 10.680 1.00 0.00 N ATOM 0 H ARG A 36 2.606 -0.780 7.264 1.00 0.00 H new ATOM 0 HA ARG A 36 0.240 -1.147 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.324 1.062 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.216 0.680 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.280 -1.382 10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.138 -1.379 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.410 0.638 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.592 0.549 11.333 1.00 0.00 H new ATOM 0 HE ARG A 36 4.847 -1.347 11.918 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.582 -0.340 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.899 -1.506 8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.507 -2.851 11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.410 -2.897 10.108 1.00 0.00 H new ATOM 553 N TRP A 37 0.335 1.341 6.684 1.00 0.00 N ATOM 554 CA TRP A 37 -0.492 2.302 5.983 1.00 0.00 C ATOM 555 C TRP A 37 -1.554 1.528 5.199 1.00 0.00 C ATOM 556 O TRP A 37 -2.743 1.847 5.248 1.00 0.00 O ATOM 557 CB TRP A 37 0.383 3.192 5.043 1.00 0.00 C ATOM 558 CG TRP A 37 -0.389 4.214 4.225 1.00 0.00 C ATOM 559 CD1 TRP A 37 -0.598 5.543 4.512 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.057 3.967 2.986 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.359 6.125 3.513 1.00 0.00 N ATOM 562 CE2 TRP A 37 -1.659 5.167 2.575 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.202 2.833 2.193 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.400 5.256 1.398 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -1.922 2.911 1.047 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.524 4.114 0.648 1.00 0.00 C ATOM 0 H TRP A 37 1.277 1.246 6.305 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.981 2.973 6.689 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.122 3.717 5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.933 2.543 4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.224 6.056 5.386 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.649 7.102 3.479 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.745 1.900 2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.857 6.185 1.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.034 2.032 0.430 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.096 4.141 -0.268 1.00 0.00 H new ATOM 577 N PHE A 38 -1.107 0.489 4.511 1.00 0.00 N ATOM 578 CA PHE A 38 -1.968 -0.364 3.711 1.00 0.00 C ATOM 579 C PHE A 38 -3.090 -1.014 4.559 1.00 0.00 C ATOM 580 O PHE A 38 -4.224 -1.110 4.091 1.00 0.00 O ATOM 581 CB PHE A 38 -1.132 -1.418 2.986 1.00 0.00 C ATOM 582 CG PHE A 38 -1.850 -2.091 1.842 1.00 0.00 C ATOM 583 CD1 PHE A 38 -1.823 -1.528 0.576 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.542 -3.273 2.027 1.00 0.00 C ATOM 585 CE1 PHE A 38 -2.470 -2.135 -0.480 1.00 0.00 C ATOM 586 CE2 PHE A 38 -3.193 -3.884 0.973 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.158 -3.315 -0.281 1.00 0.00 C ATOM 0 H PHE A 38 -0.125 0.212 4.493 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.464 0.259 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.225 -0.949 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.822 -2.177 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.289 -0.603 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.574 -3.724 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.438 -1.687 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.729 -4.808 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.667 -3.791 -1.106 1.00 0.00 H new ATOM 597 N LYS A 39 -2.770 -1.488 5.800 1.00 0.00 N ATOM 598 CA LYS A 39 -3.782 -1.975 6.716 1.00 0.00 C ATOM 599 C LYS A 39 -4.882 -0.985 6.878 1.00 0.00 C ATOM 600 O LYS A 39 -6.032 -1.323 6.711 1.00 0.00 O ATOM 601 CB LYS A 39 -3.207 -2.297 8.092 1.00 0.00 C ATOM 602 CG LYS A 39 -2.808 -3.755 8.327 1.00 0.00 C ATOM 603 CD LYS A 39 -1.587 -4.302 7.565 1.00 0.00 C ATOM 604 CE LYS A 39 -1.901 -4.669 6.126 1.00 0.00 C ATOM 605 NZ LYS A 39 -0.981 -5.692 5.594 1.00 0.00 N ATOM 0 H LYS A 39 -1.818 -1.532 6.163 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.173 -2.893 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.330 -1.670 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.942 -2.016 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.621 -3.882 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.665 -4.380 8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.793 -3.555 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.206 -5.182 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.925 -5.037 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.844 -3.775 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.368 -6.081 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.054 -5.261 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.872 -6.457 6.290 1.00 0.00 H new ATOM 619 N GLN A 40 -4.512 0.252 7.127 1.00 0.00 N ATOM 620 CA GLN A 40 -5.429 1.295 7.365 1.00 0.00 C ATOM 621 C GLN A 40 -6.349 1.490 6.158 1.00 0.00 C ATOM 622 O GLN A 40 -7.572 1.622 6.313 1.00 0.00 O ATOM 623 CB GLN A 40 -4.625 2.528 7.622 1.00 0.00 C ATOM 624 CG GLN A 40 -5.412 3.665 8.101 1.00 0.00 C ATOM 625 CD GLN A 40 -5.992 3.413 9.477 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.377 3.731 10.493 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.147 2.821 9.525 1.00 0.00 N ATOM 0 H GLN A 40 -3.536 0.546 7.166 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.067 1.064 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.853 2.299 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.115 2.815 6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.783 4.555 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.220 3.868 7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.629 2.572 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.572 2.605 10.427 1.00 0.00 H new ATOM 636 N TRP A 41 -5.752 1.468 4.973 1.00 0.00 N ATOM 637 CA TRP A 41 -6.481 1.606 3.730 1.00 0.00 C ATOM 638 C TRP A 41 -7.496 0.482 3.551 1.00 0.00 C ATOM 639 O TRP A 41 -8.613 0.733 3.146 1.00 0.00 O ATOM 640 CB TRP A 41 -5.513 1.690 2.530 1.00 0.00 C ATOM 641 CG TRP A 41 -6.202 1.714 1.193 1.00 0.00 C ATOM 642 CD1 TRP A 41 -6.812 2.777 0.585 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.343 0.611 0.308 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.352 2.390 -0.618 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.061 1.059 -0.815 1.00 0.00 C ATOM 646 CE3 TRP A 41 -5.930 -0.719 0.364 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.371 0.213 -1.868 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.238 -1.549 -0.681 1.00 0.00 C ATOM 649 CH2 TRP A 41 -6.948 -1.082 -1.780 1.00 0.00 C ATOM 0 H TRP A 41 -4.746 1.353 4.852 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.040 2.541 3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.903 2.588 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.834 0.838 2.563 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.862 3.776 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.878 2.987 -1.256 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.378 -1.088 1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.926 0.565 -2.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.924 -2.582 -0.650 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.172 -1.763 -2.588 1.00 0.00 H new ATOM 660 N LYS A 42 -7.119 -0.730 3.918 1.00 0.00 N ATOM 661 CA LYS A 42 -7.983 -1.907 3.771 1.00 0.00 C ATOM 662 C LYS A 42 -9.263 -1.759 4.547 1.00 0.00 C ATOM 663 O LYS A 42 -10.336 -2.094 4.061 1.00 0.00 O ATOM 664 CB LYS A 42 -7.273 -3.119 4.295 1.00 0.00 C ATOM 665 CG LYS A 42 -6.239 -3.724 3.382 1.00 0.00 C ATOM 666 CD LYS A 42 -5.140 -4.352 4.189 1.00 0.00 C ATOM 667 CE LYS A 42 -5.640 -5.231 5.309 1.00 0.00 C ATOM 668 NZ LYS A 42 -6.328 -6.446 4.846 1.00 0.00 N ATOM 0 H LYS A 42 -6.207 -0.935 4.327 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.215 -2.008 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.789 -2.854 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.018 -3.881 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.703 -4.473 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.827 -2.956 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.508 -4.945 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.513 -3.565 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.797 -5.519 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.321 -4.655 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.433 -7.110 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.268 -6.194 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.770 -6.894 4.091 1.00 0.00 H new ATOM 682 N LYS A 43 -9.138 -1.226 5.727 1.00 0.00 N ATOM 683 CA LYS A 43 -10.248 -1.100 6.646 1.00 0.00 C ATOM 684 C LYS A 43 -11.152 -0.005 6.157 1.00 0.00 C ATOM 685 O LYS A 43 -12.366 -0.133 6.163 1.00 0.00 O ATOM 686 CB LYS A 43 -9.671 -0.769 8.011 1.00 0.00 C ATOM 687 CG LYS A 43 -8.508 -1.711 8.314 1.00 0.00 C ATOM 688 CD LYS A 43 -7.714 -1.374 9.556 1.00 0.00 C ATOM 689 CE LYS A 43 -8.348 -1.885 10.816 1.00 0.00 C ATOM 690 NZ LYS A 43 -8.620 -3.346 10.778 1.00 0.00 N ATOM 0 H LYS A 43 -8.257 -0.861 6.089 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.831 -2.019 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.330 0.266 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.441 -0.866 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.898 -2.724 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.832 -1.714 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.712 -1.793 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.602 -0.292 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.695 -1.664 11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.283 -1.351 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.781 -3.694 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.465 -3.527 10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.804 -3.840 10.364 1.00 0.00 H new ATOM 704 N TYR A 44 -10.520 1.032 5.661 1.00 0.00 N ATOM 705 CA TYR A 44 -11.160 2.198 5.141 1.00 0.00 C ATOM 706 C TYR A 44 -11.925 1.883 3.868 1.00 0.00 C ATOM 707 O TYR A 44 -13.046 2.329 3.676 1.00 0.00 O ATOM 708 CB TYR A 44 -10.067 3.276 4.895 1.00 0.00 C ATOM 709 CG TYR A 44 -10.244 4.107 3.654 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.146 5.156 3.583 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.506 3.799 2.531 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.295 5.862 2.402 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.642 4.490 1.378 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.527 5.509 1.304 1.00 0.00 C ATOM 715 OH TYR A 44 -10.656 6.166 0.120 1.00 0.00 O ATOM 0 H TYR A 44 -9.502 1.080 5.611 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.892 2.572 5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.039 3.943 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.098 2.780 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.733 5.423 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.800 2.983 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.000 6.677 2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.045 4.229 0.517 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.575 6.492 0.025 1.00 0.00 H new ATOM 725 N VAL A 45 -11.307 1.139 3.013 1.00 0.00 N ATOM 726 CA VAL A 45 -11.836 0.845 1.743 1.00 0.00 C ATOM 727 C VAL A 45 -12.789 -0.356 1.800 1.00 0.00 C ATOM 728 O VAL A 45 -13.541 -0.615 0.855 1.00 0.00 O ATOM 729 CB VAL A 45 -10.668 0.578 0.783 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.105 -0.800 0.840 1.00 0.00 C ATOM 731 CG2 VAL A 45 -10.969 1.000 -0.545 1.00 0.00 C ATOM 0 H VAL A 45 -10.398 0.713 3.192 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.421 1.693 1.386 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.853 1.202 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.286 -0.888 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.733 -1.000 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.883 -1.522 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.118 0.794 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.842 0.459 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.177 2.070 -0.548 1.00 0.00 H new ATOM 741 N GLY A 46 -12.765 -1.061 2.923 1.00 0.00 N ATOM 742 CA GLY A 46 -13.546 -2.261 3.074 1.00 0.00 C ATOM 743 C GLY A 46 -13.037 -3.323 2.140 1.00 0.00 C ATOM 744 O GLY A 46 -13.814 -4.005 1.457 1.00 0.00 O ATOM 0 H GLY A 46 -12.208 -0.814 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.492 -2.614 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.595 -2.052 2.864 1.00 0.00 H new ATOM 748 N PHE A 47 -11.728 -3.423 2.084 1.00 0.00 N ATOM 749 CA PHE A 47 -11.033 -4.357 1.242 1.00 0.00 C ATOM 750 C PHE A 47 -11.354 -5.764 1.698 1.00 0.00 C ATOM 751 O PHE A 47 -11.563 -6.672 0.894 1.00 0.00 O ATOM 752 CB PHE A 47 -9.525 -4.087 1.360 1.00 0.00 C ATOM 753 CG PHE A 47 -8.641 -4.949 0.529 1.00 0.00 C ATOM 754 CD1 PHE A 47 -8.480 -4.695 -0.815 1.00 0.00 C ATOM 755 CD2 PHE A 47 -7.970 -6.011 1.097 1.00 0.00 C ATOM 756 CE1 PHE A 47 -7.658 -5.491 -1.587 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.147 -6.812 0.337 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.991 -6.552 -1.008 1.00 0.00 C ATOM 0 H PHE A 47 -11.104 -2.838 2.640 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.341 -4.245 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.340 -3.047 1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.236 -4.204 2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.002 -3.865 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.091 -6.217 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.537 -5.285 -2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.626 -7.641 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.347 -7.178 -1.608 1.00 0.00 H new ATOM 768 N ASP A 48 -11.395 -5.930 2.985 1.00 0.00 N ATOM 769 CA ASP A 48 -11.701 -7.198 3.573 1.00 0.00 C ATOM 770 C ASP A 48 -13.172 -7.217 3.890 1.00 0.00 C ATOM 771 O ASP A 48 -13.683 -6.278 4.455 1.00 0.00 O ATOM 772 CB ASP A 48 -10.918 -7.369 4.861 1.00 0.00 C ATOM 773 CG ASP A 48 -9.430 -7.188 4.690 1.00 0.00 C ATOM 774 OD1 ASP A 48 -8.939 -6.051 4.799 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.704 -8.178 4.494 1.00 0.00 O ATOM 0 H ASP A 48 -11.216 -5.186 3.660 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.439 -8.003 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.281 -6.650 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.111 -8.363 5.265 1.00 0.00 H new ATOM 780 N SER A 49 -13.851 -8.270 3.532 1.00 0.00 N ATOM 781 CA SER A 49 -15.283 -8.389 3.779 1.00 0.00 C ATOM 782 C SER A 49 -15.600 -8.541 5.285 1.00 0.00 C ATOM 783 O SER A 49 -16.692 -8.211 5.749 1.00 0.00 O ATOM 784 CB SER A 49 -15.788 -9.586 3.016 1.00 0.00 C ATOM 785 OG SER A 49 -15.391 -9.499 1.657 1.00 0.00 O ATOM 0 H SER A 49 -13.440 -9.076 3.061 1.00 0.00 H new ATOM 0 HA SER A 49 -15.779 -7.478 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.397 -10.502 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.875 -9.638 3.083 1.00 0.00 H new ATOM 0 HG SER A 49 -15.722 -10.282 1.169 1.00 0.00 H new ATOM 791 N TRP A 50 -14.628 -8.989 6.026 1.00 0.00 N ATOM 792 CA TRP A 50 -14.757 -9.243 7.454 1.00 0.00 C ATOM 793 C TRP A 50 -14.183 -8.085 8.251 1.00 0.00 C ATOM 794 O TRP A 50 -14.182 -8.087 9.474 1.00 0.00 O ATOM 795 CB TRP A 50 -14.016 -10.541 7.800 1.00 0.00 C ATOM 796 CG TRP A 50 -12.578 -10.545 7.357 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.489 -10.236 8.110 1.00 0.00 C ATOM 798 CD2 TRP A 50 -12.085 -10.860 6.047 1.00 0.00 C ATOM 799 NE1 TRP A 50 -10.356 -10.340 7.353 1.00 0.00 N ATOM 800 CE2 TRP A 50 -10.695 -10.727 6.084 1.00 0.00 C ATOM 801 CE3 TRP A 50 -12.695 -11.243 4.851 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -9.897 -10.965 4.971 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -11.906 -11.476 3.747 1.00 0.00 C ATOM 804 CH2 TRP A 50 -10.519 -11.339 3.813 1.00 0.00 C ATOM 0 H TRP A 50 -13.699 -9.196 5.658 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.812 -9.344 7.710 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.057 -10.697 8.878 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -14.534 -11.381 7.336 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.515 -9.951 9.151 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.408 -10.158 7.681 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -13.768 -11.355 4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.823 -10.858 5.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -12.368 -11.769 2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -9.925 -11.532 2.932 1.00 0.00 H new ATOM 815 N ASP A 51 -13.739 -7.089 7.552 1.00 0.00 N ATOM 816 CA ASP A 51 -13.089 -5.927 8.169 1.00 0.00 C ATOM 817 C ASP A 51 -13.411 -4.822 7.251 1.00 0.00 C ATOM 818 O ASP A 51 -12.636 -4.383 6.413 1.00 0.00 O ATOM 819 CB ASP A 51 -11.580 -6.143 8.348 1.00 0.00 C ATOM 820 CG ASP A 51 -10.941 -5.152 9.286 1.00 0.00 C ATOM 821 OD1 ASP A 51 -11.145 -5.268 10.520 1.00 0.00 O ATOM 822 OD2 ASP A 51 -10.194 -4.281 8.835 1.00 0.00 O ATOM 0 H ASP A 51 -13.806 -7.038 6.536 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.440 -5.728 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.407 -7.151 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.093 -6.077 7.375 1.00 0.00 H new ATOM 827 N LYS A 52 -14.639 -4.486 7.363 1.00 0.00 N ATOM 828 CA LYS A 52 -15.350 -3.819 6.368 1.00 0.00 C ATOM 829 C LYS A 52 -16.289 -2.821 7.010 1.00 0.00 C ATOM 830 O LYS A 52 -17.179 -2.272 6.378 1.00 0.00 O ATOM 831 CB LYS A 52 -16.108 -5.001 5.826 1.00 0.00 C ATOM 832 CG LYS A 52 -16.992 -4.867 4.673 1.00 0.00 C ATOM 833 CD LYS A 52 -16.289 -4.374 3.452 1.00 0.00 C ATOM 834 CE LYS A 52 -17.158 -4.564 2.229 1.00 0.00 C ATOM 835 NZ LYS A 52 -16.502 -4.086 1.006 1.00 0.00 N ATOM 0 H LYS A 52 -15.194 -4.683 8.196 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.774 -3.251 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.371 -5.764 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.710 -5.396 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.448 -5.833 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.802 -4.181 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.041 -3.319 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.349 -4.911 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.403 -5.620 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.099 -4.031 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.941 -4.537 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.608 -3.054 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.491 -4.328 1.037 1.00 0.00 H new ATOM 849 N TYR A 53 -16.066 -2.573 8.259 1.00 0.00 N ATOM 850 CA TYR A 53 -16.966 -1.753 9.035 1.00 0.00 C ATOM 851 C TYR A 53 -16.430 -0.340 9.148 1.00 0.00 C ATOM 852 O TYR A 53 -17.137 0.588 9.508 1.00 0.00 O ATOM 853 CB TYR A 53 -17.212 -2.412 10.398 1.00 0.00 C ATOM 854 CG TYR A 53 -17.660 -3.855 10.238 1.00 0.00 C ATOM 855 CD1 TYR A 53 -18.964 -4.162 9.872 1.00 0.00 C ATOM 856 CD2 TYR A 53 -16.761 -4.907 10.401 1.00 0.00 C ATOM 857 CE1 TYR A 53 -19.360 -5.471 9.671 1.00 0.00 C ATOM 858 CE2 TYR A 53 -17.151 -6.217 10.210 1.00 0.00 C ATOM 859 CZ TYR A 53 -18.451 -6.495 9.842 1.00 0.00 C ATOM 860 OH TYR A 53 -18.840 -7.805 9.625 1.00 0.00 O ATOM 0 H TYR A 53 -15.262 -2.926 8.777 1.00 0.00 H new ATOM 0 HA TYR A 53 -17.930 -1.676 8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.299 -2.376 10.992 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -17.971 -1.851 10.944 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -19.681 -3.365 9.742 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -15.740 -4.693 10.682 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -20.377 -5.691 9.381 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -16.442 -7.020 10.348 1.00 0.00 H new ATOM 0 HH TYR A 53 -18.081 -8.403 9.788 1.00 0.00 H new ATOM 870 N GLN A 54 -15.186 -0.188 8.789 1.00 0.00 N ATOM 871 CA GLN A 54 -14.517 1.071 8.755 1.00 0.00 C ATOM 872 C GLN A 54 -14.545 1.581 7.314 1.00 0.00 C ATOM 873 O GLN A 54 -13.919 2.572 6.968 1.00 0.00 O ATOM 874 CB GLN A 54 -13.098 0.824 9.216 1.00 0.00 C ATOM 875 CG GLN A 54 -13.028 0.247 10.631 1.00 0.00 C ATOM 876 CD GLN A 54 -11.684 -0.310 10.990 1.00 0.00 C ATOM 877 OE1 GLN A 54 -11.412 -1.483 10.769 1.00 0.00 O ATOM 878 NE2 GLN A 54 -10.846 0.502 11.554 1.00 0.00 N ATOM 0 H GLN A 54 -14.594 -0.968 8.503 1.00 0.00 H new ATOM 0 HA GLN A 54 -14.988 1.816 9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.610 0.138 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.541 1.760 9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.290 1.028 11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.776 -0.540 10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.110 1.473 11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.922 0.170 11.831 1.00 0.00 H new ATOM 887 N MET A 55 -15.274 0.859 6.486 1.00 0.00 N ATOM 888 CA MET A 55 -15.430 1.163 5.116 1.00 0.00 C ATOM 889 C MET A 55 -16.133 2.493 4.962 1.00 0.00 C ATOM 890 O MET A 55 -17.278 2.656 5.398 1.00 0.00 O ATOM 891 CB MET A 55 -16.232 0.073 4.450 1.00 0.00 C ATOM 892 CG MET A 55 -16.275 0.216 2.970 1.00 0.00 C ATOM 893 SD MET A 55 -17.284 -1.041 2.155 1.00 0.00 S ATOM 894 CE MET A 55 -18.919 -0.633 2.781 1.00 0.00 C ATOM 0 H MET A 55 -15.781 0.023 6.777 1.00 0.00 H new ATOM 0 HA MET A 55 -14.450 1.228 4.644 1.00 0.00 H new ATOM 0 HB2 MET A 55 -15.803 -0.896 4.705 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.249 0.084 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 55 -16.665 1.203 2.719 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.259 0.166 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 55 -19.677 -1.077 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 55 -19.030 -1.024 3.792 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.043 0.450 2.795 1.00 0.00 H new ATOM 904 N GLY A 56 -15.433 3.434 4.395 1.00 0.00 N ATOM 905 CA GLY A 56 -15.968 4.745 4.202 1.00 0.00 C ATOM 906 C GLY A 56 -15.925 5.555 5.473 1.00 0.00 C ATOM 907 O GLY A 56 -16.638 6.553 5.602 1.00 0.00 O ATOM 0 H GLY A 56 -14.479 3.311 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.403 5.258 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.998 4.670 3.852 1.00 0.00 H new ATOM 911 N ASP A 57 -15.108 5.131 6.420 1.00 0.00 N ATOM 912 CA ASP A 57 -14.981 5.846 7.674 1.00 0.00 C ATOM 913 C ASP A 57 -13.810 6.795 7.556 1.00 0.00 C ATOM 914 O ASP A 57 -12.796 6.488 6.912 1.00 0.00 O ATOM 915 CB ASP A 57 -14.737 4.885 8.856 1.00 0.00 C ATOM 916 CG ASP A 57 -15.075 5.481 10.195 1.00 0.00 C ATOM 917 OD1 ASP A 57 -14.662 6.615 10.475 1.00 0.00 O ATOM 918 OD2 ASP A 57 -15.734 4.812 11.007 1.00 0.00 O ATOM 0 H ASP A 57 -14.525 4.298 6.344 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.909 6.383 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.331 3.983 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.690 4.581 8.856 1.00 0.00 H new ATOM 923 N GLN A 58 -13.935 7.933 8.153 1.00 0.00 N ATOM 924 CA GLN A 58 -12.892 8.935 8.101 1.00 0.00 C ATOM 925 C GLN A 58 -11.854 8.675 9.157 1.00 0.00 C ATOM 926 O GLN A 58 -10.753 9.204 9.127 1.00 0.00 O ATOM 927 CB GLN A 58 -13.446 10.323 8.209 1.00 0.00 C ATOM 928 CG GLN A 58 -14.144 10.656 9.520 1.00 0.00 C ATOM 929 CD GLN A 58 -14.685 12.070 9.532 1.00 0.00 C ATOM 930 OE1 GLN A 58 -15.046 12.619 8.493 1.00 0.00 O ATOM 931 NE2 GLN A 58 -14.744 12.669 10.688 1.00 0.00 N ATOM 0 H GLN A 58 -14.756 8.206 8.693 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.411 8.862 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.631 11.032 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.153 10.477 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.961 9.954 9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.444 10.529 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.436 12.183 11.530 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.098 13.623 10.750 1.00 0.00 H new ATOM 940 N ASN A 59 -12.224 7.849 10.089 1.00 0.00 N ATOM 941 CA ASN A 59 -11.349 7.436 11.169 1.00 0.00 C ATOM 942 C ASN A 59 -10.187 6.657 10.654 1.00 0.00 C ATOM 943 O ASN A 59 -9.095 6.680 11.221 1.00 0.00 O ATOM 944 CB ASN A 59 -12.101 6.573 12.169 1.00 0.00 C ATOM 945 CG ASN A 59 -12.897 7.351 13.186 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.389 7.706 14.251 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.144 7.591 12.896 1.00 0.00 N ATOM 0 H ASN A 59 -13.154 7.431 10.130 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.990 8.343 11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.776 5.912 11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.386 5.938 12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.736 8.089 13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.529 7.281 12.004 1.00 0.00 H new ATOM 954 N VAL A 60 -10.406 6.014 9.560 1.00 0.00 N ATOM 955 CA VAL A 60 -9.445 5.088 9.031 1.00 0.00 C ATOM 956 C VAL A 60 -8.904 5.532 7.720 1.00 0.00 C ATOM 957 O VAL A 60 -8.137 4.815 7.107 1.00 0.00 O ATOM 958 CB VAL A 60 -10.084 3.721 8.837 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.561 3.233 10.106 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.271 3.838 8.031 1.00 0.00 C ATOM 0 H VAL A 60 -11.254 6.110 9.001 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.629 5.037 9.752 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.337 3.070 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.019 2.253 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.725 3.149 10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.299 3.927 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.720 2.853 7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.983 4.498 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.010 4.251 7.057 1.00 0.00 H new ATOM 970 N TYR A 61 -9.336 6.680 7.269 1.00 0.00 N ATOM 971 CA TYR A 61 -8.870 7.167 5.988 1.00 0.00 C ATOM 972 C TYR A 61 -7.362 7.446 6.058 1.00 0.00 C ATOM 973 O TYR A 61 -6.899 8.228 6.901 1.00 0.00 O ATOM 974 CB TYR A 61 -9.694 8.381 5.419 1.00 0.00 C ATOM 975 CG TYR A 61 -9.141 9.780 5.672 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.230 10.355 4.786 1.00 0.00 C ATOM 977 CD2 TYR A 61 -9.519 10.512 6.774 1.00 0.00 C ATOM 978 CE1 TYR A 61 -7.723 11.615 5.006 1.00 0.00 C ATOM 979 CE2 TYR A 61 -9.016 11.770 7.002 1.00 0.00 C ATOM 980 CZ TYR A 61 -8.117 12.317 6.119 1.00 0.00 C ATOM 981 OH TYR A 61 -7.605 13.574 6.360 1.00 0.00 O ATOM 0 H TYR A 61 -9.996 7.288 7.754 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.045 6.376 5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.793 8.247 4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.699 8.334 5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.917 9.802 3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.225 10.089 7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.021 12.049 4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.327 12.327 7.873 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.989 13.930 7.188 1.00 0.00 H new ATOM 991 N PRO A 62 -6.575 6.747 5.258 1.00 0.00 N ATOM 992 CA PRO A 62 -5.178 6.947 5.206 1.00 0.00 C ATOM 993 C PRO A 62 -4.856 8.024 4.219 1.00 0.00 C ATOM 994 O PRO A 62 -5.138 7.907 3.030 1.00 0.00 O ATOM 995 CB PRO A 62 -4.615 5.611 4.750 1.00 0.00 C ATOM 996 CG PRO A 62 -5.756 4.884 4.138 1.00 0.00 C ATOM 997 CD PRO A 62 -6.993 5.716 4.334 1.00 0.00 C ATOM 0 HA PRO A 62 -4.760 7.259 6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.808 5.751 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.200 5.053 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.575 4.714 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.877 3.905 4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.342 6.141 3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.813 5.124 4.740 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.362 9.079 4.738 1.00 0.00 N ATOM 1006 CA GLY A 63 -3.932 10.201 3.942 1.00 0.00 C ATOM 1007 C GLY A 63 -2.628 9.912 3.197 1.00 0.00 C ATOM 1008 O GLY A 63 -2.463 8.823 2.635 1.00 0.00 O ATOM 0 H GLY A 63 -4.235 9.208 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.711 10.455 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.796 11.070 4.585 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.663 10.848 3.215 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.406 10.694 2.487 1.00 0.00 C ATOM 1014 C PRO A 64 0.330 9.444 2.876 1.00 0.00 C ATOM 1015 O PRO A 64 0.471 9.127 4.070 1.00 0.00 O ATOM 1016 CB PRO A 64 0.410 11.928 2.872 1.00 0.00 C ATOM 1017 CG PRO A 64 -0.594 12.913 3.338 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.705 12.114 3.959 1.00 0.00 C ATOM 0 HA PRO A 64 -0.580 10.609 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.131 11.697 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.975 12.310 2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.158 13.602 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.964 13.515 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.543 11.960 5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.668 12.613 3.852 1.00 0.00 H new ATOM 1026 N ILE A 65 0.733 8.724 1.871 1.00 0.00 N ATOM 1027 CA ILE A 65 1.502 7.526 2.009 1.00 0.00 C ATOM 1028 C ILE A 65 2.778 7.831 2.735 1.00 0.00 C ATOM 1029 O ILE A 65 3.597 8.585 2.257 1.00 0.00 O ATOM 1030 CB ILE A 65 1.788 6.934 0.614 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.460 6.530 -0.013 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.791 5.779 0.668 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.525 6.180 -1.456 1.00 0.00 C ATOM 0 H ILE A 65 0.528 8.964 0.901 1.00 0.00 H new ATOM 0 HA ILE A 65 0.944 6.790 2.588 1.00 0.00 H new ATOM 0 HB ILE A 65 2.265 7.688 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.062 5.676 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.248 7.348 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.959 5.396 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.734 6.135 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.395 4.982 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.469 5.907 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.888 7.038 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.204 5.339 -1.596 1.00 0.00 H new ATOM 1045 N ASP A 66 2.877 7.311 3.909 1.00 0.00 N ATOM 1046 CA ASP A 66 4.038 7.460 4.734 1.00 0.00 C ATOM 1047 C ASP A 66 4.753 6.134 4.735 1.00 0.00 C ATOM 1048 O ASP A 66 4.289 5.176 5.359 1.00 0.00 O ATOM 1049 CB ASP A 66 3.578 7.771 6.175 1.00 0.00 C ATOM 1050 CG ASP A 66 4.701 7.814 7.209 1.00 0.00 C ATOM 1051 OD1 ASP A 66 5.122 6.763 7.721 1.00 0.00 O ATOM 1052 OD2 ASP A 66 5.167 8.914 7.548 1.00 0.00 O ATOM 0 H ASP A 66 2.137 6.755 4.338 1.00 0.00 H new ATOM 0 HA ASP A 66 4.684 8.258 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.063 8.732 6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.851 7.019 6.480 1.00 0.00 H new ATOM 1057 N ASN A 67 5.824 6.040 3.995 1.00 0.00 N ATOM 1058 CA ASN A 67 6.647 4.840 4.043 1.00 0.00 C ATOM 1059 C ASN A 67 7.729 4.973 5.087 1.00 0.00 C ATOM 1060 O ASN A 67 8.569 4.099 5.225 1.00 0.00 O ATOM 1061 CB ASN A 67 7.279 4.501 2.691 1.00 0.00 C ATOM 1062 CG ASN A 67 6.303 3.926 1.691 1.00 0.00 C ATOM 1063 OD1 ASN A 67 5.317 3.297 2.049 1.00 0.00 O ATOM 1064 ND2 ASN A 67 6.585 4.113 0.432 1.00 0.00 N ATOM 0 H ASN A 67 6.153 6.764 3.356 1.00 0.00 H new ATOM 0 HA ASN A 67 5.978 4.022 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.725 5.403 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.088 3.788 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.975 3.730 -0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.416 4.643 0.169 1.00 0.00 H new ATOM 1071 N SER A 68 7.672 6.057 5.846 1.00 0.00 N ATOM 1072 CA SER A 68 8.650 6.399 6.883 1.00 0.00 C ATOM 1073 C SER A 68 8.837 5.257 7.897 1.00 0.00 C ATOM 1074 O SER A 68 9.922 5.084 8.451 1.00 0.00 O ATOM 1075 CB SER A 68 8.184 7.644 7.609 1.00 0.00 C ATOM 1076 OG SER A 68 7.662 8.600 6.690 1.00 0.00 O ATOM 0 H SER A 68 6.925 6.746 5.760 1.00 0.00 H new ATOM 0 HA SER A 68 9.611 6.572 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.419 7.380 8.339 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.016 8.081 8.162 1.00 0.00 H new ATOM 0 HG SER A 68 6.844 8.995 7.058 1.00 0.00 H new ATOM 1082 N GLY A 69 7.779 4.472 8.112 1.00 0.00 N ATOM 1083 CA GLY A 69 7.843 3.339 9.023 1.00 0.00 C ATOM 1084 C GLY A 69 8.804 2.261 8.538 1.00 0.00 C ATOM 1085 O GLY A 69 9.346 1.488 9.335 1.00 0.00 O ATOM 0 H GLY A 69 6.871 4.604 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.156 3.685 10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.847 2.910 9.137 1.00 0.00 H new ATOM 1089 N LEU A 70 9.022 2.217 7.237 1.00 0.00 N ATOM 1090 CA LEU A 70 9.925 1.259 6.635 1.00 0.00 C ATOM 1091 C LEU A 70 11.297 1.845 6.518 1.00 0.00 C ATOM 1092 O LEU A 70 12.278 1.125 6.412 1.00 0.00 O ATOM 1093 CB LEU A 70 9.493 0.942 5.220 1.00 0.00 C ATOM 1094 CG LEU A 70 8.097 0.438 5.013 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.886 0.180 3.539 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.855 -0.807 5.838 1.00 0.00 C ATOM 0 H LEU A 70 8.577 2.846 6.569 1.00 0.00 H new ATOM 0 HA LEU A 70 9.917 0.369 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.615 1.845 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.181 0.198 4.818 1.00 0.00 H new ATOM 0 HG LEU A 70 7.377 1.186 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.873 -0.187 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.030 1.106 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.603 -0.565 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.836 -1.159 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.559 -1.584 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.995 -0.576 6.894 1.00 0.00 H new ATOM 1108 N LEU A 71 11.358 3.146 6.505 1.00 0.00 N ATOM 1109 CA LEU A 71 12.588 3.836 6.237 1.00 0.00 C ATOM 1110 C LEU A 71 13.483 3.869 7.443 1.00 0.00 C ATOM 1111 O LEU A 71 13.025 3.785 8.584 1.00 0.00 O ATOM 1112 CB LEU A 71 12.321 5.256 5.747 1.00 0.00 C ATOM 1113 CG LEU A 71 11.277 5.396 4.633 1.00 0.00 C ATOM 1114 CD1 LEU A 71 11.207 6.806 4.134 1.00 0.00 C ATOM 1115 CD2 LEU A 71 11.535 4.448 3.488 1.00 0.00 C ATOM 0 H LEU A 71 10.560 3.757 6.679 1.00 0.00 H new ATOM 0 HA LEU A 71 13.101 3.281 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.000 5.858 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.261 5.680 5.393 1.00 0.00 H new ATOM 0 HG LEU A 71 10.314 5.131 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.459 6.876 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.932 7.469 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.179 7.101 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.770 4.584 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.516 4.653 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.506 3.421 3.852 1.00 0.00 H new ATOM 1127 N LYS A 72 14.752 3.938 7.178 1.00 0.00 N ATOM 1128 CA LYS A 72 15.760 4.041 8.175 1.00 0.00 C ATOM 1129 C LYS A 72 15.651 5.243 9.043 1.00 0.00 C ATOM 1130 O LYS A 72 14.923 6.209 8.770 1.00 0.00 O ATOM 1131 CB LYS A 72 17.132 3.983 7.580 1.00 0.00 C ATOM 1132 CG LYS A 72 17.608 2.601 7.411 1.00 0.00 C ATOM 1133 CD LYS A 72 18.998 2.569 6.898 1.00 0.00 C ATOM 1134 CE LYS A 72 19.553 1.218 7.140 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.914 1.068 6.593 1.00 0.00 N ATOM 0 H LYS A 72 15.121 3.923 6.227 1.00 0.00 H new ATOM 0 HA LYS A 72 15.593 3.175 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.128 4.485 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.826 4.529 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.558 2.078 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.951 2.070 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.015 2.801 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.605 3.324 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.571 1.021 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.898 0.472 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.262 0.107 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.895 1.230 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.547 1.761 7.041 1.00 0.00 H new ATOM 1149 N ASP A 73 16.414 5.190 10.072 1.00 0.00 N ATOM 1150 CA ASP A 73 16.438 6.228 11.048 1.00 0.00 C ATOM 1151 C ASP A 73 17.459 7.252 10.638 1.00 0.00 C ATOM 1152 O ASP A 73 18.636 7.172 11.017 1.00 0.00 O ATOM 1153 CB ASP A 73 16.724 5.667 12.445 1.00 0.00 C ATOM 1154 CG ASP A 73 15.616 4.772 12.965 1.00 0.00 C ATOM 1155 OD1 ASP A 73 15.471 3.607 12.489 1.00 0.00 O ATOM 1156 OD2 ASP A 73 14.890 5.183 13.876 1.00 0.00 O ATOM 0 H ASP A 73 17.050 4.417 10.267 1.00 0.00 H new ATOM 0 HA ASP A 73 15.459 6.704 11.101 1.00 0.00 H new ATOM 0 HB2 ASP A 73 17.657 5.103 12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 73 16.871 6.494 13.139 1.00 0.00 H new ATOM 1161 N GLY A 74 17.028 8.138 9.774 1.00 0.00 N ATOM 1162 CA GLY A 74 17.875 9.164 9.247 1.00 0.00 C ATOM 1163 C GLY A 74 17.656 9.334 7.762 1.00 0.00 C ATOM 1164 O GLY A 74 17.273 10.413 7.303 1.00 0.00 O ATOM 0 H GLY A 74 16.072 8.162 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.674 10.105 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.918 8.914 9.438 1.00 0.00 H new ATOM 1168 N ASP A 75 17.877 8.270 7.007 1.00 0.00 N ATOM 1169 CA ASP A 75 17.696 8.310 5.550 1.00 0.00 C ATOM 1170 C ASP A 75 16.302 7.880 5.169 1.00 0.00 C ATOM 1171 O ASP A 75 15.886 6.763 5.459 1.00 0.00 O ATOM 1172 CB ASP A 75 18.692 7.418 4.786 1.00 0.00 C ATOM 1173 CG ASP A 75 20.139 7.809 4.934 1.00 0.00 C ATOM 1174 OD1 ASP A 75 20.558 8.815 4.342 1.00 0.00 O ATOM 1175 OD2 ASP A 75 20.888 7.092 5.627 1.00 0.00 O ATOM 0 H ASP A 75 18.181 7.367 7.370 1.00 0.00 H new ATOM 0 HA ASP A 75 17.876 9.347 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.572 6.390 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.433 7.434 3.727 1.00 0.00 H new ATOM 1180 N ALA A 76 15.611 8.739 4.459 1.00 0.00 N ATOM 1181 CA ALA A 76 14.247 8.479 3.998 1.00 0.00 C ATOM 1182 C ALA A 76 14.273 7.879 2.610 1.00 0.00 C ATOM 1183 O ALA A 76 13.272 7.858 1.893 1.00 0.00 O ATOM 1184 CB ALA A 76 13.488 9.766 3.919 1.00 0.00 C ATOM 0 H ALA A 76 15.973 9.650 4.177 1.00 0.00 H new ATOM 0 HA ALA A 76 13.774 7.792 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.473 9.569 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.454 10.229 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.984 10.438 3.219 1.00 0.00 H new ATOM 1190 N GLN A 77 15.411 7.445 2.216 1.00 0.00 N ATOM 1191 CA GLN A 77 15.601 6.879 0.900 1.00 0.00 C ATOM 1192 C GLN A 77 16.065 5.478 1.083 1.00 0.00 C ATOM 1193 O GLN A 77 16.429 4.788 0.135 1.00 0.00 O ATOM 1194 CB GLN A 77 16.682 7.675 0.202 1.00 0.00 C ATOM 1195 CG GLN A 77 16.434 9.152 0.279 1.00 0.00 C ATOM 1196 CD GLN A 77 15.414 9.647 -0.707 1.00 0.00 C ATOM 1197 OE1 GLN A 77 15.746 10.023 -1.829 1.00 0.00 O ATOM 1198 NE2 GLN A 77 14.176 9.652 -0.321 1.00 0.00 N ATOM 0 H GLN A 77 16.255 7.465 2.789 1.00 0.00 H new ATOM 0 HA GLN A 77 14.683 6.904 0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.648 7.446 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.738 7.371 -0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.104 9.404 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.374 9.678 0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.933 9.333 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.445 9.974 -0.955 1.00 0.00 H new ATOM 1207 N SER A 78 16.042 5.067 2.312 1.00 0.00 N ATOM 1208 CA SER A 78 16.577 3.793 2.678 1.00 0.00 C ATOM 1209 C SER A 78 15.631 3.018 3.568 1.00 0.00 C ATOM 1210 O SER A 78 15.084 3.567 4.510 1.00 0.00 O ATOM 1211 CB SER A 78 17.898 4.012 3.393 1.00 0.00 C ATOM 1212 OG SER A 78 18.820 4.708 2.558 1.00 0.00 O ATOM 0 H SER A 78 15.653 5.603 3.088 1.00 0.00 H new ATOM 0 HA SER A 78 16.723 3.204 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.731 4.579 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.321 3.051 3.686 1.00 0.00 H new ATOM 0 HG SER A 78 19.663 4.839 3.040 1.00 0.00 H new ATOM 1218 N LEU A 79 15.449 1.753 3.260 1.00 0.00 N ATOM 1219 CA LEU A 79 14.643 0.853 4.066 1.00 0.00 C ATOM 1220 C LEU A 79 15.432 0.403 5.270 1.00 0.00 C ATOM 1221 O LEU A 79 16.669 0.455 5.265 1.00 0.00 O ATOM 1222 CB LEU A 79 14.287 -0.395 3.274 1.00 0.00 C ATOM 1223 CG LEU A 79 13.382 -0.235 2.071 1.00 0.00 C ATOM 1224 CD1 LEU A 79 13.271 -1.561 1.372 1.00 0.00 C ATOM 1225 CD2 LEU A 79 12.000 0.256 2.491 1.00 0.00 C ATOM 0 H LEU A 79 15.859 1.313 2.436 1.00 0.00 H new ATOM 0 HA LEU A 79 13.740 1.387 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.216 -0.853 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.814 -1.101 3.957 1.00 0.00 H new ATOM 0 HG LEU A 79 13.808 0.508 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.621 -1.461 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.260 -1.887 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.851 -2.299 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.368 0.363 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.550 -0.464 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.093 1.221 2.990 1.00 0.00 H new ATOM 1237 N LYS A 80 14.743 -0.022 6.293 1.00 0.00 N ATOM 1238 CA LYS A 80 15.385 -0.614 7.440 1.00 0.00 C ATOM 1239 C LYS A 80 15.881 -2.002 7.066 1.00 0.00 C ATOM 1240 O LYS A 80 15.393 -2.616 6.116 1.00 0.00 O ATOM 1241 CB LYS A 80 14.431 -0.721 8.632 1.00 0.00 C ATOM 1242 CG LYS A 80 13.900 0.599 9.144 1.00 0.00 C ATOM 1243 CD LYS A 80 13.045 0.385 10.381 1.00 0.00 C ATOM 1244 CE LYS A 80 12.313 1.654 10.814 1.00 0.00 C ATOM 1245 NZ LYS A 80 13.217 2.789 11.121 1.00 0.00 N ATOM 0 H LYS A 80 13.726 0.030 6.358 1.00 0.00 H new ATOM 0 HA LYS A 80 16.216 0.027 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.587 -1.350 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.947 -1.229 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.730 1.265 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.311 1.086 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.316 -0.401 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.676 0.037 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.624 1.953 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.710 1.433 11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.740 3.448 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.085 2.431 11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.462 3.286 10.241 1.00 0.00 H new ATOM 1259 N GLU A 81 16.827 -2.489 7.801 1.00 0.00 N ATOM 1260 CA GLU A 81 17.420 -3.793 7.538 1.00 0.00 C ATOM 1261 C GLU A 81 16.674 -4.903 8.285 1.00 0.00 C ATOM 1262 O GLU A 81 16.986 -6.080 8.145 1.00 0.00 O ATOM 1263 CB GLU A 81 18.887 -3.777 7.960 1.00 0.00 C ATOM 1264 CG GLU A 81 19.751 -2.779 7.200 1.00 0.00 C ATOM 1265 CD GLU A 81 19.923 -3.138 5.745 1.00 0.00 C ATOM 1266 OE1 GLU A 81 20.803 -3.960 5.428 1.00 0.00 O ATOM 1267 OE2 GLU A 81 19.210 -2.590 4.890 1.00 0.00 O ATOM 0 H GLU A 81 17.223 -2.005 8.607 1.00 0.00 H new ATOM 0 HA GLU A 81 17.344 -3.998 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.943 -3.551 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.302 -4.776 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.303 -1.788 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.731 -2.721 7.673 1.00 0.00 H new ATOM 1274 N HIS A 82 15.700 -4.521 9.086 1.00 0.00 N ATOM 1275 CA HIS A 82 14.941 -5.485 9.892 1.00 0.00 C ATOM 1276 C HIS A 82 13.597 -5.848 9.253 1.00 0.00 C ATOM 1277 O HIS A 82 12.775 -6.514 9.883 1.00 0.00 O ATOM 1278 CB HIS A 82 14.679 -4.949 11.308 1.00 0.00 C ATOM 1279 CG HIS A 82 15.897 -4.725 12.163 1.00 0.00 C ATOM 1280 ND1 HIS A 82 16.536 -5.728 12.850 1.00 0.00 N ATOM 1281 CD2 HIS A 82 16.559 -3.588 12.472 1.00 0.00 C ATOM 1282 CE1 HIS A 82 17.529 -5.218 13.544 1.00 0.00 C ATOM 1283 NE2 HIS A 82 17.567 -3.922 13.333 1.00 0.00 N ATOM 0 H HIS A 82 15.407 -3.551 9.204 1.00 0.00 H new ATOM 0 HA HIS A 82 15.560 -6.381 9.944 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.140 -4.006 11.224 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.021 -5.648 11.824 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.333 -2.597 12.106 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.202 -5.772 14.182 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.238 -3.272 13.744 1.00 0.00 H new ATOM 1292 N LEU A 83 13.390 -5.469 8.021 1.00 0.00 N ATOM 1293 CA LEU A 83 12.073 -5.599 7.401 1.00 0.00 C ATOM 1294 C LEU A 83 11.819 -6.987 6.815 1.00 0.00 C ATOM 1295 O LEU A 83 12.732 -7.816 6.675 1.00 0.00 O ATOM 1296 CB LEU A 83 11.885 -4.534 6.322 1.00 0.00 C ATOM 1297 CG LEU A 83 12.138 -3.073 6.730 1.00 0.00 C ATOM 1298 CD1 LEU A 83 11.745 -2.151 5.613 1.00 0.00 C ATOM 1299 CD2 LEU A 83 11.397 -2.705 8.002 1.00 0.00 C ATOM 0 H LEU A 83 14.107 -5.067 7.417 1.00 0.00 H new ATOM 0 HA LEU A 83 11.342 -5.453 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.549 -4.773 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.864 -4.609 5.947 1.00 0.00 H new ATOM 0 HG LEU A 83 13.204 -2.964 6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.928 -1.119 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.335 -2.382 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.686 -2.282 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.603 -1.665 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.326 -2.836 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.729 -3.349 8.816 1.00 0.00 H new ATOM 1311 N ILE A 84 10.563 -7.218 6.500 1.00 0.00 N ATOM 1312 CA ILE A 84 10.042 -8.443 5.929 1.00 0.00 C ATOM 1313 C ILE A 84 8.977 -7.996 4.930 1.00 0.00 C ATOM 1314 O ILE A 84 8.702 -6.813 4.890 1.00 0.00 O ATOM 1315 CB ILE A 84 9.417 -9.345 7.059 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.491 -9.741 8.067 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.744 -10.587 6.501 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.997 -10.648 9.143 1.00 0.00 C ATOM 0 H ILE A 84 9.836 -6.517 6.643 1.00 0.00 H new ATOM 0 HA ILE A 84 10.816 -9.040 5.447 1.00 0.00 H new ATOM 0 HB ILE A 84 8.647 -8.754 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.310 -10.230 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.899 -8.839 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.329 -11.175 7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.943 -10.293 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.476 -11.185 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.816 -10.887 9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.198 -10.154 9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.615 -11.567 8.698 1.00 0.00 H new ATOM 1330 N ASP A 85 8.396 -8.910 4.138 1.00 0.00 N ATOM 1331 CA ASP A 85 7.350 -8.573 3.120 1.00 0.00 C ATOM 1332 C ASP A 85 6.033 -8.112 3.823 1.00 0.00 C ATOM 1333 O ASP A 85 6.141 -7.420 4.799 1.00 0.00 O ATOM 1334 CB ASP A 85 7.159 -9.752 2.153 1.00 0.00 C ATOM 1335 CG ASP A 85 6.235 -9.458 0.978 1.00 0.00 C ATOM 1336 OD1 ASP A 85 6.664 -8.808 0.013 1.00 0.00 O ATOM 1337 OD2 ASP A 85 5.046 -9.883 1.020 1.00 0.00 O ATOM 0 H ASP A 85 8.626 -9.903 4.173 1.00 0.00 H new ATOM 0 HA ASP A 85 7.676 -7.728 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.134 -10.051 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.761 -10.601 2.709 1.00 0.00 H new ATOM 1342 N GLU A 86 4.801 -8.467 3.327 1.00 0.00 N ATOM 1343 CA GLU A 86 3.477 -7.956 3.840 1.00 0.00 C ATOM 1344 C GLU A 86 3.309 -7.813 5.363 1.00 0.00 C ATOM 1345 O GLU A 86 2.397 -7.139 5.822 1.00 0.00 O ATOM 1346 CB GLU A 86 2.316 -8.696 3.224 1.00 0.00 C ATOM 1347 CG GLU A 86 2.402 -10.186 3.357 1.00 0.00 C ATOM 1348 CD GLU A 86 1.210 -10.873 2.777 1.00 0.00 C ATOM 1349 OE1 GLU A 86 1.186 -11.123 1.546 1.00 0.00 O ATOM 1350 OE2 GLU A 86 0.260 -11.158 3.526 1.00 0.00 O ATOM 0 H GLU A 86 4.697 -9.122 2.552 1.00 0.00 H new ATOM 0 HA GLU A 86 3.479 -6.920 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.392 -8.353 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.255 -8.439 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.303 -10.542 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.495 -10.450 4.410 1.00 0.00 H new ATOM 1357 N LEU A 87 4.133 -8.464 6.103 1.00 0.00 N ATOM 1358 CA LEU A 87 4.214 -8.278 7.534 1.00 0.00 C ATOM 1359 C LEU A 87 4.631 -6.828 7.835 1.00 0.00 C ATOM 1360 O LEU A 87 3.976 -6.121 8.596 1.00 0.00 O ATOM 1361 CB LEU A 87 5.280 -9.207 8.095 1.00 0.00 C ATOM 1362 CG LEU A 87 5.102 -10.700 7.821 1.00 0.00 C ATOM 1363 CD1 LEU A 87 6.045 -11.510 8.691 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.661 -11.151 8.026 1.00 0.00 C ATOM 0 H LEU A 87 4.788 -9.156 5.739 1.00 0.00 H new ATOM 0 HA LEU A 87 3.245 -8.493 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.245 -8.900 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.324 -9.062 9.174 1.00 0.00 H new ATOM 0 HG LEU A 87 5.347 -10.874 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.908 -12.572 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.075 -11.228 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.831 -11.313 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.581 -12.218 7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.362 -10.957 9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.008 -10.601 7.349 1.00 0.00 H new ATOM 1376 N ASP A 88 5.713 -6.402 7.200 1.00 0.00 N ATOM 1377 CA ASP A 88 6.271 -5.080 7.412 1.00 0.00 C ATOM 1378 C ASP A 88 5.898 -4.143 6.270 1.00 0.00 C ATOM 1379 O ASP A 88 5.454 -3.010 6.489 1.00 0.00 O ATOM 1380 CB ASP A 88 7.789 -5.162 7.456 1.00 0.00 C ATOM 1381 CG ASP A 88 8.383 -4.274 8.512 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.160 -3.058 8.504 1.00 0.00 O ATOM 1383 OD2 ASP A 88 9.048 -4.810 9.426 1.00 0.00 O ATOM 0 H ASP A 88 6.227 -6.966 6.523 1.00 0.00 H new ATOM 0 HA ASP A 88 5.871 -4.700 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.089 -6.193 7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.193 -4.884 6.483 1.00 0.00 H new ATOM 1388 N TYR A 89 6.042 -4.628 5.050 1.00 0.00 N ATOM 1389 CA TYR A 89 5.842 -3.794 3.859 1.00 0.00 C ATOM 1390 C TYR A 89 5.128 -4.549 2.763 1.00 0.00 C ATOM 1391 O TYR A 89 4.992 -5.702 2.848 1.00 0.00 O ATOM 1392 CB TYR A 89 7.182 -3.256 3.351 1.00 0.00 C ATOM 1393 CG TYR A 89 8.276 -4.277 2.970 1.00 0.00 C ATOM 1394 CD1 TYR A 89 8.059 -5.301 2.039 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.536 -4.154 3.499 1.00 0.00 C ATOM 1396 CE1 TYR A 89 9.067 -6.158 1.661 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.557 -5.016 3.136 1.00 0.00 C ATOM 1398 CZ TYR A 89 10.318 -6.012 2.214 1.00 0.00 C ATOM 1399 OH TYR A 89 11.339 -6.861 1.837 1.00 0.00 O ATOM 0 H TYR A 89 6.297 -5.595 4.849 1.00 0.00 H new ATOM 0 HA TYR A 89 5.210 -2.954 4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.983 -2.638 2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.591 -2.599 4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.076 -5.421 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.736 -3.369 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.878 -6.937 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.538 -4.908 3.574 1.00 0.00 H new ATOM 0 HH TYR A 89 12.158 -6.622 2.320 1.00 0.00 H new ATOM 1409 N ILE A 90 4.663 -3.896 1.738 1.00 0.00 N ATOM 1410 CA ILE A 90 4.004 -4.605 0.679 1.00 0.00 C ATOM 1411 C ILE A 90 4.460 -4.106 -0.653 1.00 0.00 C ATOM 1412 O ILE A 90 4.740 -2.925 -0.818 1.00 0.00 O ATOM 1413 CB ILE A 90 2.486 -4.449 0.750 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.964 -4.674 2.151 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.810 -5.382 -0.201 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.505 -4.888 2.193 1.00 0.00 C ATOM 0 H ILE A 90 4.726 -2.886 1.612 1.00 0.00 H new ATOM 0 HA ILE A 90 4.263 -5.657 0.800 1.00 0.00 H new ATOM 0 HB ILE A 90 2.256 -3.422 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.466 -5.539 2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.218 -3.814 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.730 -5.252 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.137 -5.165 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.069 -6.410 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.190 -5.044 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.003 -4.013 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.249 -5.765 1.599 1.00 0.00 H new ATOM 1428 N LEU A 91 4.507 -4.997 -1.586 1.00 0.00 N ATOM 1429 CA LEU A 91 4.890 -4.699 -2.921 1.00 0.00 C ATOM 1430 C LEU A 91 3.739 -4.765 -3.850 1.00 0.00 C ATOM 1431 O LEU A 91 2.924 -5.690 -3.808 1.00 0.00 O ATOM 1432 CB LEU A 91 6.027 -5.573 -3.379 1.00 0.00 C ATOM 1433 CG LEU A 91 7.346 -5.218 -2.754 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.395 -6.121 -3.172 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.746 -3.861 -3.149 1.00 0.00 C ATOM 0 H LEU A 91 4.273 -5.978 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 91 5.250 -3.670 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.792 -6.612 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.116 -5.501 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 91 7.213 -5.288 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.334 -5.832 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.138 -7.138 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.505 -6.074 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.703 -3.616 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.841 -3.811 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.991 -3.148 -2.817 1.00 0.00 H new ATOM 1447 N LEU A 92 3.656 -3.768 -4.663 1.00 0.00 N ATOM 1448 CA LEU A 92 2.596 -3.629 -5.621 1.00 0.00 C ATOM 1449 C LEU A 92 3.227 -3.086 -6.879 1.00 0.00 C ATOM 1450 O LEU A 92 4.284 -2.494 -6.809 1.00 0.00 O ATOM 1451 CB LEU A 92 1.484 -2.629 -5.154 1.00 0.00 C ATOM 1452 CG LEU A 92 0.982 -2.736 -3.711 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.965 -2.099 -2.783 1.00 0.00 C ATOM 1454 CD2 LEU A 92 -0.384 -2.111 -3.538 1.00 0.00 C ATOM 0 H LEU A 92 4.334 -3.007 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 92 2.116 -4.597 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.861 -1.617 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.626 -2.750 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 92 0.886 -3.795 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.602 -2.178 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.926 -2.606 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.084 -1.048 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.700 -2.210 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.337 -1.055 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.100 -2.617 -4.185 1.00 0.00 H new ATOM 1466 N PRO A 93 2.629 -3.298 -8.031 1.00 0.00 N ATOM 1467 CA PRO A 93 3.109 -2.741 -9.287 1.00 0.00 C ATOM 1468 C PRO A 93 3.027 -1.227 -9.283 1.00 0.00 C ATOM 1469 O PRO A 93 2.407 -0.623 -8.378 1.00 0.00 O ATOM 1470 CB PRO A 93 2.113 -3.248 -10.320 1.00 0.00 C ATOM 1471 CG PRO A 93 1.455 -4.390 -9.702 1.00 0.00 C ATOM 1472 CD PRO A 93 1.438 -4.091 -8.223 1.00 0.00 C ATOM 0 HA PRO A 93 4.145 -3.023 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.391 -2.474 -10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.618 -3.538 -11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.444 -4.517 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.994 -5.314 -9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.540 -3.545 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.462 -5.004 -7.628 1.00 0.00 H new ATOM 1480 N THR A 94 3.645 -0.637 -10.275 1.00 0.00 N ATOM 1481 CA THR A 94 3.578 0.778 -10.552 1.00 0.00 C ATOM 1482 C THR A 94 2.126 1.255 -10.462 1.00 0.00 C ATOM 1483 O THR A 94 1.832 2.223 -9.790 1.00 0.00 O ATOM 1484 CB THR A 94 4.099 1.012 -11.981 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.439 0.519 -12.097 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.030 2.465 -12.378 1.00 0.00 C ATOM 0 H THR A 94 4.230 -1.147 -10.937 1.00 0.00 H new ATOM 0 HA THR A 94 4.179 1.329 -9.829 1.00 0.00 H new ATOM 0 HB THR A 94 3.453 0.464 -12.666 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.765 0.669 -13.009 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.408 2.583 -13.394 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.996 2.806 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.637 3.058 -11.694 1.00 0.00 H new ATOM 1494 N GLU A 95 1.247 0.505 -11.112 1.00 0.00 N ATOM 1495 CA GLU A 95 -0.179 0.729 -11.149 1.00 0.00 C ATOM 1496 C GLU A 95 -0.728 0.877 -9.762 1.00 0.00 C ATOM 1497 O GLU A 95 -1.385 1.849 -9.468 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.906 -0.467 -11.770 1.00 0.00 C ATOM 1499 CG GLU A 95 -0.501 -0.908 -13.156 1.00 0.00 C ATOM 1500 CD GLU A 95 0.838 -1.613 -13.255 1.00 0.00 C ATOM 1501 OE1 GLU A 95 1.884 -0.961 -13.197 1.00 0.00 O ATOM 1502 OE2 GLU A 95 0.861 -2.825 -13.401 1.00 0.00 O ATOM 0 H GLU A 95 1.529 -0.313 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.337 1.633 -11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.780 -1.318 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.971 -0.234 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.271 -1.574 -13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.479 -0.032 -13.804 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.448 -0.121 -8.928 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.946 -0.147 -7.588 1.00 0.00 C ATOM 1511 C GLY A 96 -0.578 1.095 -6.850 1.00 0.00 C ATOM 1512 O GLY A 96 -1.445 1.871 -6.474 1.00 0.00 O ATOM 0 H GLY A 96 0.130 -0.924 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.030 -0.256 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.545 -1.016 -7.065 1.00 0.00 H new ATOM 1516 N TRP A 97 0.707 1.303 -6.727 1.00 0.00 N ATOM 1517 CA TRP A 97 1.284 2.449 -6.085 1.00 0.00 C ATOM 1518 C TRP A 97 0.711 3.746 -6.652 1.00 0.00 C ATOM 1519 O TRP A 97 0.277 4.606 -5.895 1.00 0.00 O ATOM 1520 CB TRP A 97 2.765 2.385 -6.331 1.00 0.00 C ATOM 1521 CG TRP A 97 3.486 3.540 -5.816 1.00 0.00 C ATOM 1522 CD1 TRP A 97 3.899 4.607 -6.520 1.00 0.00 C ATOM 1523 CD2 TRP A 97 3.863 3.751 -4.482 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.514 5.491 -5.687 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.507 4.975 -4.428 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.714 3.019 -3.325 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.002 5.485 -3.263 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.207 3.530 -2.162 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.847 4.757 -2.139 1.00 0.00 C ATOM 0 H TRP A 97 1.405 0.652 -7.086 1.00 0.00 H new ATOM 0 HA TRP A 97 1.058 2.440 -5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.164 1.482 -5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 97 2.945 2.302 -7.403 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.764 4.743 -7.583 1.00 0.00 H new ATOM 0 HE1 TRP A 97 4.913 6.389 -5.961 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.217 2.060 -3.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.502 6.442 -3.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 4.097 2.970 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.229 5.138 -1.204 1.00 0.00 H new ATOM 1540 N ASN A 98 0.712 3.869 -7.981 1.00 0.00 N ATOM 1541 CA ASN A 98 0.154 5.029 -8.667 1.00 0.00 C ATOM 1542 C ASN A 98 -1.235 5.289 -8.250 1.00 0.00 C ATOM 1543 O ASN A 98 -1.586 6.413 -8.100 1.00 0.00 O ATOM 1544 CB ASN A 98 0.192 4.939 -10.206 1.00 0.00 C ATOM 1545 CG ASN A 98 1.561 5.156 -10.820 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.425 5.840 -10.254 1.00 0.00 O ATOM 1547 ND2 ASN A 98 1.751 4.647 -12.008 1.00 0.00 N ATOM 0 H ASN A 98 1.100 3.165 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 98 0.805 5.852 -8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.175 3.958 -10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.496 5.678 -10.617 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.631 4.808 -12.497 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.019 4.088 -12.446 1.00 0.00 H new ATOM 1554 N LYS A 99 -2.028 4.259 -8.015 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.371 4.463 -7.637 1.00 0.00 C ATOM 1556 C LYS A 99 -3.428 5.035 -6.258 1.00 0.00 C ATOM 1557 O LYS A 99 -4.003 6.093 -6.063 1.00 0.00 O ATOM 1558 CB LYS A 99 -4.124 3.174 -7.780 1.00 0.00 C ATOM 1559 CG LYS A 99 -4.247 2.790 -9.229 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.909 1.468 -9.442 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.732 1.056 -10.886 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.534 -0.115 -11.241 1.00 0.00 N ATOM 0 H LYS A 99 -1.744 3.282 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.853 5.189 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.611 2.384 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.116 3.275 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.813 3.560 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.253 2.766 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.474 0.718 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.969 1.534 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.006 1.889 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.680 0.841 -11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.123 -0.577 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.543 -0.784 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.508 0.183 -11.454 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.728 4.410 -5.328 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.690 4.900 -3.963 1.00 0.00 C ATOM 1578 C LEU A 100 -2.149 6.335 -3.889 1.00 0.00 C ATOM 1579 O LEU A 100 -2.671 7.181 -3.154 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.894 3.944 -3.053 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.549 2.585 -2.728 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -4.046 2.675 -2.776 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -2.053 1.486 -3.614 1.00 0.00 C ATOM 0 H LEU A 100 -2.180 3.565 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.716 4.928 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.929 3.752 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.694 4.458 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.254 2.333 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.477 1.701 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.390 3.408 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.360 2.981 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.545 0.551 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.277 1.727 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.975 1.378 -3.491 1.00 0.00 H new ATOM 1595 N VAL A 101 -1.164 6.614 -4.703 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.562 7.898 -4.783 1.00 0.00 C ATOM 1597 C VAL A 101 -1.470 8.899 -5.513 1.00 0.00 C ATOM 1598 O VAL A 101 -1.487 10.069 -5.181 1.00 0.00 O ATOM 1599 CB VAL A 101 0.830 7.788 -5.454 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.338 9.123 -5.862 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.814 7.165 -4.495 1.00 0.00 C ATOM 0 H VAL A 101 -0.756 5.930 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.424 8.282 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 101 0.723 7.165 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.316 9.013 -6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.645 9.574 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.426 9.763 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.791 7.091 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.894 7.785 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.470 6.169 -4.216 1.00 0.00 H new ATOM 1611 N SER A 102 -2.259 8.436 -6.450 1.00 0.00 N ATOM 1612 CA SER A 102 -3.113 9.308 -7.171 1.00 0.00 C ATOM 1613 C SER A 102 -4.254 9.764 -6.269 1.00 0.00 C ATOM 1614 O SER A 102 -4.697 10.908 -6.317 1.00 0.00 O ATOM 1615 CB SER A 102 -3.675 8.606 -8.395 1.00 0.00 C ATOM 1616 OG SER A 102 -2.668 8.353 -9.372 1.00 0.00 O ATOM 0 H SER A 102 -2.318 7.455 -6.722 1.00 0.00 H new ATOM 0 HA SER A 102 -2.538 10.174 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.134 7.664 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.462 9.218 -8.835 1.00 0.00 H new ATOM 0 HG SER A 102 -2.038 7.686 -9.027 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.690 8.851 -5.432 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.792 9.067 -4.556 1.00 0.00 C ATOM 1624 C TRP A 103 -5.398 9.890 -3.335 1.00 0.00 C ATOM 1625 O TRP A 103 -6.032 10.907 -3.039 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.393 7.713 -4.130 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.815 6.840 -5.289 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -7.145 7.249 -6.546 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.913 5.411 -5.301 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.490 6.178 -7.321 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.344 5.034 -6.586 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.687 4.417 -4.352 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.552 3.706 -6.943 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.886 3.098 -4.711 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.317 2.755 -6.001 1.00 0.00 C ATOM 0 H TRP A 103 -4.273 7.924 -5.348 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.544 9.641 -5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.660 7.174 -3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.257 7.895 -3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.135 8.275 -6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.805 6.224 -8.290 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.362 4.673 -3.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.888 3.440 -7.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.707 2.318 -3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.465 1.715 -6.251 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.347 9.488 -2.649 1.00 0.00 N ATOM 1647 CA TYR A 104 -4.006 10.121 -1.382 1.00 0.00 C ATOM 1648 C TYR A 104 -2.616 10.696 -1.324 1.00 0.00 C ATOM 1649 O TYR A 104 -2.224 11.267 -0.296 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.260 9.161 -0.224 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.742 9.016 0.072 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.403 9.951 0.865 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.488 7.977 -0.469 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.760 9.854 1.106 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -7.844 7.870 -0.227 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.476 8.811 0.561 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.840 8.723 0.778 1.00 0.00 O ATOM 0 H TYR A 104 -3.720 8.737 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.667 10.983 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.840 8.184 -0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.745 9.521 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.844 10.767 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.000 7.240 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.257 10.592 1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.408 7.053 -0.653 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.126 7.790 0.689 1.00 0.00 H new ATOM 1667 N THR A 105 -1.907 10.645 -2.434 1.00 0.00 N ATOM 1668 CA THR A 105 -0.573 11.092 -2.565 1.00 0.00 C ATOM 1669 C THR A 105 0.436 10.504 -1.571 1.00 0.00 C ATOM 1670 O THR A 105 0.104 9.724 -0.673 1.00 0.00 O ATOM 1671 CB THR A 105 -0.460 12.614 -2.708 1.00 0.00 C ATOM 1672 OG1 THR A 105 -1.213 13.323 -1.699 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.858 13.062 -4.094 1.00 0.00 C ATOM 0 H THR A 105 -2.284 10.267 -3.303 1.00 0.00 H new ATOM 0 HA THR A 105 -0.261 10.661 -3.516 1.00 0.00 H new ATOM 0 HB THR A 105 0.589 12.865 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.405 12.720 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.768 14.146 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.204 12.594 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.890 12.770 -4.288 1.00 0.00 H new ATOM 1681 N LEU A 106 1.660 10.845 -1.774 1.00 0.00 N ATOM 1682 CA LEU A 106 2.706 10.390 -0.951 1.00 0.00 C ATOM 1683 C LEU A 106 3.028 11.468 0.041 1.00 0.00 C ATOM 1684 O LEU A 106 2.389 12.524 0.042 1.00 0.00 O ATOM 1685 CB LEU A 106 3.884 10.100 -1.816 1.00 0.00 C ATOM 1686 CG LEU A 106 4.610 8.776 -1.528 1.00 0.00 C ATOM 1687 CD1 LEU A 106 5.595 8.608 -2.440 1.00 0.00 C ATOM 1688 CD2 LEU A 106 5.345 8.709 -0.276 1.00 0.00 C ATOM 0 H LEU A 106 1.960 11.459 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 106 2.426 9.485 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.556 10.095 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.599 10.916 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 106 3.803 8.044 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.116 7.671 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.164 8.581 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.300 9.437 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.815 7.730 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.113 9.483 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.659 8.864 0.557 1.00 0.00 H new ATOM 1700 N MET A 107 3.965 11.222 0.880 1.00 0.00 N ATOM 1701 CA MET A 107 4.381 12.114 1.799 1.00 0.00 C ATOM 1702 C MET A 107 5.560 12.864 1.279 1.00 0.00 C ATOM 1703 O MET A 107 6.482 12.302 0.685 1.00 0.00 O ATOM 1704 CB MET A 107 4.678 11.388 3.066 1.00 0.00 C ATOM 1705 CG MET A 107 5.554 12.119 3.956 1.00 0.00 C ATOM 1706 SD MET A 107 5.687 11.441 5.602 1.00 0.00 S ATOM 1707 CE MET A 107 4.006 11.641 6.137 1.00 0.00 C ATOM 0 H MET A 107 4.465 10.334 0.914 1.00 0.00 H new ATOM 0 HA MET A 107 3.605 12.851 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 107 3.742 11.176 3.583 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.134 10.427 2.827 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.549 12.157 3.513 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.198 13.147 4.030 1.00 0.00 H new ATOM 0 HE1 MET A 107 3.957 11.558 7.223 1.00 0.00 H new ATOM 0 HE2 MET A 107 3.641 12.622 5.831 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.386 10.866 5.686 1.00 0.00 H new ATOM 1717 N GLU A 108 5.486 14.108 1.474 1.00 0.00 N ATOM 1718 CA GLU A 108 6.456 15.028 1.084 1.00 0.00 C ATOM 1719 C GLU A 108 7.742 14.799 1.808 1.00 0.00 C ATOM 1720 O GLU A 108 7.789 14.784 3.037 1.00 0.00 O ATOM 1721 CB GLU A 108 5.908 16.339 1.423 1.00 0.00 C ATOM 1722 CG GLU A 108 6.013 17.316 0.307 1.00 0.00 C ATOM 1723 CD GLU A 108 5.407 18.646 0.641 1.00 0.00 C ATOM 1724 OE1 GLU A 108 5.800 19.256 1.651 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.509 19.104 -0.086 1.00 0.00 O ATOM 0 H GLU A 108 4.691 14.542 1.943 1.00 0.00 H new ATOM 0 HA GLU A 108 6.681 14.939 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.861 16.228 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.432 16.732 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.063 17.455 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.519 16.908 -0.575 1.00 0.00 H new ATOM 1732 N GLY A 109 8.771 14.608 1.055 1.00 0.00 N ATOM 1733 CA GLY A 109 10.037 14.415 1.634 1.00 0.00 C ATOM 1734 C GLY A 109 10.535 13.027 1.416 1.00 0.00 C ATOM 1735 O GLY A 109 11.744 12.761 1.519 1.00 0.00 O ATOM 0 H GLY A 109 8.751 14.583 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.744 15.127 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.983 14.619 2.703 1.00 0.00 H new ATOM 1739 N GLN A 110 9.629 12.124 1.099 1.00 0.00 N ATOM 1740 CA GLN A 110 10.019 10.797 0.844 1.00 0.00 C ATOM 1741 C GLN A 110 9.708 10.447 -0.568 1.00 0.00 C ATOM 1742 O GLN A 110 8.935 11.139 -1.237 1.00 0.00 O ATOM 1743 CB GLN A 110 9.352 9.835 1.787 1.00 0.00 C ATOM 1744 CG GLN A 110 7.879 9.722 1.682 1.00 0.00 C ATOM 1745 CD GLN A 110 7.293 8.997 2.838 1.00 0.00 C ATOM 1746 OE1 GLN A 110 6.349 8.279 2.690 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.774 9.257 3.998 1.00 0.00 N ATOM 0 H GLN A 110 8.629 12.306 1.018 1.00 0.00 H new ATOM 0 HA GLN A 110 11.094 10.718 1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.782 8.846 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 110 9.600 10.129 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.442 10.719 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.620 9.203 0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.581 9.874 4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.350 8.847 4.830 1.00 0.00 H new ATOM 1756 N GLU A 111 10.286 9.386 -1.021 1.00 0.00 N ATOM 1757 CA GLU A 111 10.086 8.951 -2.360 1.00 0.00 C ATOM 1758 C GLU A 111 9.866 7.467 -2.394 1.00 0.00 C ATOM 1759 O GLU A 111 10.425 6.744 -1.560 1.00 0.00 O ATOM 1760 CB GLU A 111 11.244 9.334 -3.283 1.00 0.00 C ATOM 1761 CG GLU A 111 11.413 10.824 -3.488 1.00 0.00 C ATOM 1762 CD GLU A 111 12.405 11.130 -4.564 1.00 0.00 C ATOM 1763 OE1 GLU A 111 12.031 11.113 -5.745 1.00 0.00 O ATOM 1764 OE2 GLU A 111 13.582 11.373 -4.256 1.00 0.00 O ATOM 0 H GLU A 111 10.911 8.796 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 111 9.198 9.462 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.169 8.929 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.091 8.861 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.451 11.266 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.736 11.284 -2.554 1.00 0.00 H new ATOM 1771 N PRO A 112 8.999 7.016 -3.322 1.00 0.00 N ATOM 1772 CA PRO A 112 8.682 5.615 -3.565 1.00 0.00 C ATOM 1773 C PRO A 112 9.852 4.746 -3.555 1.00 0.00 C ATOM 1774 O PRO A 112 10.897 5.025 -4.172 1.00 0.00 O ATOM 1775 CB PRO A 112 8.080 5.587 -4.944 1.00 0.00 C ATOM 1776 CG PRO A 112 7.645 6.989 -5.236 1.00 0.00 C ATOM 1777 CD PRO A 112 8.214 7.886 -4.182 1.00 0.00 C ATOM 0 HA PRO A 112 8.024 5.247 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 112 8.807 5.243 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.235 4.900 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.991 7.296 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.557 7.055 -5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.834 8.667 -4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.424 8.385 -3.621 1.00 0.00 H new ATOM 1785 N ILE A 113 9.696 3.712 -2.863 1.00 0.00 N ATOM 1786 CA ILE A 113 10.677 2.762 -2.779 1.00 0.00 C ATOM 1787 C ILE A 113 10.380 1.747 -3.842 1.00 0.00 C ATOM 1788 O ILE A 113 9.401 1.009 -3.753 1.00 0.00 O ATOM 1789 CB ILE A 113 10.731 2.077 -1.394 1.00 0.00 C ATOM 1790 CG1 ILE A 113 11.101 3.046 -0.247 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.702 0.969 -1.458 1.00 0.00 C ATOM 1792 CD1 ILE A 113 10.005 4.013 0.145 1.00 0.00 C ATOM 0 H ILE A 113 8.855 3.503 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 113 11.650 3.233 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 113 9.731 1.708 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.380 2.460 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.981 3.617 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.753 0.474 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.386 0.252 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.685 1.361 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.356 4.651 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.740 4.630 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.129 3.455 0.476 1.00 0.00 H new ATOM 1804 N ALA A 114 11.148 1.768 -4.866 1.00 0.00 N ATOM 1805 CA ALA A 114 10.992 0.827 -5.899 1.00 0.00 C ATOM 1806 C ALA A 114 11.866 -0.352 -5.596 1.00 0.00 C ATOM 1807 O ALA A 114 13.046 -0.206 -5.305 1.00 0.00 O ATOM 1808 CB ALA A 114 11.322 1.439 -7.230 1.00 0.00 C ATOM 0 H ALA A 114 11.902 2.440 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 114 9.955 0.498 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.195 0.693 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.656 2.281 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.355 1.787 -7.224 1.00 0.00 H new ATOM 1814 N ARG A 115 11.288 -1.484 -5.618 1.00 0.00 N ATOM 1815 CA ARG A 115 11.938 -2.695 -5.314 1.00 0.00 C ATOM 1816 C ARG A 115 11.789 -3.542 -6.515 1.00 0.00 C ATOM 1817 O ARG A 115 10.704 -3.650 -7.054 1.00 0.00 O ATOM 1818 CB ARG A 115 11.227 -3.365 -4.139 1.00 0.00 C ATOM 1819 CG ARG A 115 11.912 -4.603 -3.600 1.00 0.00 C ATOM 1820 CD ARG A 115 13.103 -4.250 -2.729 1.00 0.00 C ATOM 1821 NE ARG A 115 13.804 -5.446 -2.239 1.00 0.00 N ATOM 1822 CZ ARG A 115 13.503 -6.130 -1.122 1.00 0.00 C ATOM 1823 NH1 ARG A 115 12.418 -5.822 -0.412 1.00 0.00 N ATOM 1824 NH2 ARG A 115 14.277 -7.131 -0.742 1.00 0.00 N ATOM 0 H ARG A 115 10.304 -1.600 -5.859 1.00 0.00 H new ATOM 0 HA ARG A 115 12.984 -2.541 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.131 -2.640 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 115 10.217 -3.633 -4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 115 11.199 -5.191 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 115 12.241 -5.228 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 115 13.797 -3.631 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 115 12.767 -3.654 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 115 14.588 -5.787 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 115 11.809 -5.062 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 115 12.197 -6.346 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 115 15.097 -7.380 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 115 14.055 -7.655 0.105 1.00 0.00 H new ATOM 1838 N LYS A 116 12.843 -4.085 -6.975 1.00 0.00 N ATOM 1839 CA LYS A 116 12.753 -4.966 -8.077 1.00 0.00 C ATOM 1840 C LYS A 116 12.358 -6.332 -7.582 1.00 0.00 C ATOM 1841 O LYS A 116 12.351 -6.567 -6.361 1.00 0.00 O ATOM 1842 CB LYS A 116 14.045 -4.993 -8.879 1.00 0.00 C ATOM 1843 CG LYS A 116 14.235 -3.811 -9.835 1.00 0.00 C ATOM 1844 CD LYS A 116 14.517 -2.485 -9.133 1.00 0.00 C ATOM 1845 CE LYS A 116 15.899 -2.475 -8.481 1.00 0.00 C ATOM 1846 NZ LYS A 116 16.262 -1.154 -7.909 1.00 0.00 N ATOM 0 H LYS A 116 13.784 -3.938 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 116 11.985 -4.610 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.886 -5.020 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.078 -5.917 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.059 -4.034 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.339 -3.704 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.448 -1.670 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.755 -2.305 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.928 -3.226 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.646 -2.762 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 17.208 -1.209 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.264 -0.438 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.568 -0.888 -7.181 1.00 0.00 H new ATOM 1860 N VAL A 117 12.002 -7.203 -8.502 1.00 0.00 N ATOM 1861 CA VAL A 117 11.572 -8.558 -8.169 1.00 0.00 C ATOM 1862 C VAL A 117 12.578 -9.245 -7.261 1.00 0.00 C ATOM 1863 O VAL A 117 13.806 -9.090 -7.399 1.00 0.00 O ATOM 1864 CB VAL A 117 11.252 -9.409 -9.424 1.00 0.00 C ATOM 1865 CG1 VAL A 117 10.809 -10.826 -9.077 1.00 0.00 C ATOM 1866 CG2 VAL A 117 10.206 -8.716 -10.261 1.00 0.00 C ATOM 0 H VAL A 117 12.000 -6.999 -9.501 1.00 0.00 H new ATOM 0 HA VAL A 117 10.635 -8.467 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 117 12.175 -9.503 -9.997 1.00 0.00 H new ATOM 0 HG11 VAL A 117 10.598 -11.376 -9.994 1.00 0.00 H new ATOM 0 HG12 VAL A 117 11.602 -11.330 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.909 -10.786 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.986 -9.320 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 117 9.297 -8.586 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.578 -7.740 -10.574 1.00 0.00 H new ATOM 1876 N VAL A 118 12.047 -9.975 -6.355 1.00 0.00 N ATOM 1877 CA VAL A 118 12.754 -10.524 -5.275 1.00 0.00 C ATOM 1878 C VAL A 118 13.540 -11.764 -5.612 1.00 0.00 C ATOM 1879 O VAL A 118 13.514 -12.265 -6.727 1.00 0.00 O ATOM 1880 CB VAL A 118 11.820 -10.789 -4.102 1.00 0.00 C ATOM 1881 CG1 VAL A 118 11.333 -9.485 -3.504 1.00 0.00 C ATOM 1882 CG2 VAL A 118 10.645 -11.675 -4.512 1.00 0.00 C ATOM 0 H VAL A 118 11.056 -10.215 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 118 13.493 -9.772 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 118 12.384 -11.327 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.667 -9.695 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 118 12.186 -8.905 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 118 10.795 -8.916 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 118 9.999 -11.844 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.077 -11.183 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.020 -12.631 -4.877 1.00 0.00 H new ATOM 1892 N GLU A 119 14.224 -12.246 -4.615 1.00 0.00 N ATOM 1893 CA GLU A 119 15.100 -13.391 -4.719 1.00 0.00 C ATOM 1894 C GLU A 119 14.348 -14.695 -4.452 1.00 0.00 C ATOM 1895 O GLU A 119 14.925 -15.772 -4.514 1.00 0.00 O ATOM 1896 CB GLU A 119 16.228 -13.232 -3.708 1.00 0.00 C ATOM 1897 CG GLU A 119 15.732 -13.085 -2.276 1.00 0.00 C ATOM 1898 CD GLU A 119 16.837 -13.076 -1.257 1.00 0.00 C ATOM 1899 OE1 GLU A 119 17.522 -12.060 -1.107 1.00 0.00 O ATOM 1900 OE2 GLU A 119 17.025 -14.090 -0.570 1.00 0.00 O ATOM 0 H GLU A 119 14.191 -11.846 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 119 15.498 -13.440 -5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.888 -14.097 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.823 -12.358 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.162 -12.160 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.048 -13.903 -2.051 1.00 0.00 H new ATOM 1907 N GLN A 120 13.080 -14.587 -4.156 1.00 0.00 N ATOM 1908 CA GLN A 120 12.274 -15.740 -3.841 1.00 0.00 C ATOM 1909 C GLN A 120 11.800 -16.396 -5.117 1.00 0.00 C ATOM 1910 O GLN A 120 12.428 -17.383 -5.564 1.00 0.00 O ATOM 1911 CB GLN A 120 11.085 -15.357 -2.954 1.00 0.00 C ATOM 1912 CG GLN A 120 11.467 -14.829 -1.574 1.00 0.00 C ATOM 1913 CD GLN A 120 12.195 -15.859 -0.720 1.00 0.00 C ATOM 1914 OE1 GLN A 120 13.430 -15.945 -0.728 1.00 0.00 O ATOM 1915 NE2 GLN A 120 11.454 -16.635 0.013 1.00 0.00 N ATOM 1916 OXT GLN A 120 10.836 -15.915 -5.712 1.00 0.00 O ATOM 0 H GLN A 120 12.576 -13.701 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 120 12.885 -16.449 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 120 10.494 -14.599 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 120 10.445 -16.230 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 120 12.100 -13.950 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 120 10.566 -14.506 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 120 10.439 -16.537 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 120 11.887 -17.343 0.606 1.00 0.00 H new TER 1925 GLN A 120