USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 92 SER OG : rot 150:sc= -1.1 USER MOD Set 1.2: A 96 LYS NZ :NH3+ -167:sc= -2.3 (180deg=-3.17) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 62 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.0013) USER MOD Single : A 65 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.61) USER MOD Single : A 68 CYS SG : rot -80:sc= 0.00565 USER MOD Single : A 82 ASN : amide:sc= -0.888 K(o=-0.89,f=-0.063) USER MOD Single : A 84 SER OG : rot 29:sc= 0.266 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0549) USER MOD Single : A 90 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.055) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= -0.441 (180deg=-1.51!) USER MOD Single : A 94 SER OG : rot 74:sc= 0.372 USER MOD Single : A 95 GLN : amide:sc= -0.385 K(o=-0.38,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.093 (180deg=-0.392) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= -0.0593 (180deg=-0.822) USER MOD Single : A 105 SER OG : rot -52:sc= 1.12 USER MOD Single : A 108 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-1.2) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= -1.15 (180deg=-1.15) USER MOD Single : A 117 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.012) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0521 K(o=-0.052,f=-4.1!) USER MOD Single : A 127 LYS NZ :NH3+ 151:sc= -0.0827 (180deg=-0.854) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 61:sc= 0.0968 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -15.840 -8.496 11.285 1.00 0.00 N ATOM 2 CA SER A 61 -16.814 -7.439 11.655 1.00 0.00 C ATOM 3 C SER A 61 -16.678 -6.247 10.704 1.00 0.00 C ATOM 4 O SER A 61 -16.406 -6.431 9.519 1.00 0.00 O ATOM 5 CB SER A 61 -16.577 -7.015 13.109 1.00 0.00 C ATOM 6 OG SER A 61 -17.772 -6.539 13.703 1.00 0.00 O ATOM 0 HA SER A 61 -17.829 -7.826 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.195 -7.861 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.815 -6.237 13.144 1.00 0.00 H new ATOM 0 HG SER A 61 -17.594 -6.277 14.630 1.00 0.00 H new ATOM 14 N ASN A 62 -16.895 -5.030 11.203 1.00 0.00 N ATOM 15 CA ASN A 62 -16.758 -3.840 10.370 1.00 0.00 C ATOM 16 C ASN A 62 -15.560 -3.003 10.810 1.00 0.00 C ATOM 17 O ASN A 62 -15.488 -1.804 10.535 1.00 0.00 O ATOM 18 CB ASN A 62 -18.039 -3.007 10.410 1.00 0.00 C ATOM 19 CG ASN A 62 -18.994 -3.358 9.282 1.00 0.00 C ATOM 20 OD1 ASN A 62 -19.727 -2.501 8.788 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.996 -4.622 8.866 1.00 0.00 N ATOM 0 H ASN A 62 -17.163 -4.845 12.170 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.587 -4.162 9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.539 -3.160 11.366 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.783 -1.949 10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.620 -4.910 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.373 -5.303 9.301 1.00 0.00 H new ATOM 28 N ALA A 63 -14.616 -3.650 11.490 1.00 0.00 N ATOM 29 CA ALA A 63 -13.407 -2.991 11.961 1.00 0.00 C ATOM 30 C ALA A 63 -12.257 -3.990 12.005 1.00 0.00 C ATOM 31 O ALA A 63 -11.515 -4.062 12.984 1.00 0.00 O ATOM 32 CB ALA A 63 -13.633 -2.372 13.331 1.00 0.00 C ATOM 0 H ALA A 63 -14.670 -4.641 11.727 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.150 -2.190 11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.717 -1.884 13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.435 -1.636 13.270 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.909 -3.151 14.041 1.00 0.00 H new ATOM 38 N GLY A 64 -12.131 -4.767 10.936 1.00 0.00 N ATOM 39 CA GLY A 64 -11.080 -5.763 10.848 1.00 0.00 C ATOM 40 C GLY A 64 -10.958 -6.332 9.449 1.00 0.00 C ATOM 41 O GLY A 64 -10.908 -7.547 9.264 1.00 0.00 O ATOM 0 H GLY A 64 -12.744 -4.724 10.122 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.130 -5.316 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.284 -6.570 11.552 1.00 0.00 H new ATOM 45 N GLN A 65 -10.913 -5.443 8.462 1.00 0.00 N ATOM 46 CA GLN A 65 -10.806 -5.849 7.067 1.00 0.00 C ATOM 47 C GLN A 65 -9.383 -6.263 6.722 1.00 0.00 C ATOM 48 O GLN A 65 -8.484 -6.180 7.556 1.00 0.00 O ATOM 49 CB GLN A 65 -11.243 -4.709 6.147 1.00 0.00 C ATOM 50 CG GLN A 65 -12.634 -4.175 6.449 1.00 0.00 C ATOM 51 CD GLN A 65 -13.643 -5.278 6.698 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.955 -5.604 7.843 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.142 -5.875 5.623 1.00 0.00 N ATOM 0 H GLN A 65 -10.949 -4.434 8.604 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.462 -6.707 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.525 -3.893 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.214 -5.057 5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.588 -3.526 7.324 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.972 -3.561 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.855 -5.572 4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.812 -6.637 5.728 1.00 0.00 H new ATOM 62 N LEU A 66 -9.187 -6.707 5.484 1.00 0.00 N ATOM 63 CA LEU A 66 -7.874 -7.132 5.020 1.00 0.00 C ATOM 64 C LEU A 66 -7.402 -6.258 3.861 1.00 0.00 C ATOM 65 O LEU A 66 -8.212 -5.707 3.116 1.00 0.00 O ATOM 66 CB LEU A 66 -7.911 -8.598 4.585 1.00 0.00 C ATOM 67 CG LEU A 66 -8.507 -9.566 5.610 1.00 0.00 C ATOM 68 CD1 LEU A 66 -8.387 -11.001 5.121 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.824 -9.401 6.959 1.00 0.00 C ATOM 0 H LEU A 66 -9.925 -6.781 4.783 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.171 -7.025 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.486 -8.672 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.895 -8.918 4.355 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.565 -9.332 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.816 -11.675 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.923 -11.110 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.336 -11.248 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.260 -10.097 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.759 -9.608 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.963 -8.380 7.315 1.00 0.00 H new ATOM 81 N CYS A 67 -6.085 -6.139 3.716 1.00 0.00 N ATOM 82 CA CYS A 67 -5.488 -5.336 2.650 1.00 0.00 C ATOM 83 C CYS A 67 -6.165 -5.619 1.307 1.00 0.00 C ATOM 84 O CYS A 67 -6.668 -6.720 1.081 1.00 0.00 O ATOM 85 CB CYS A 67 -3.990 -5.637 2.562 1.00 0.00 C ATOM 86 SG CYS A 67 -3.086 -4.599 1.391 1.00 0.00 S ATOM 0 H CYS A 67 -5.406 -6.592 4.328 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.633 -4.281 2.883 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.549 -5.516 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.858 -6.682 2.280 1.00 0.00 H new ATOM 91 N CYS A 68 -6.176 -4.624 0.420 1.00 0.00 N ATOM 92 CA CYS A 68 -6.807 -4.783 -0.890 1.00 0.00 C ATOM 93 C CYS A 68 -5.785 -4.731 -2.025 1.00 0.00 C ATOM 94 O CYS A 68 -6.126 -4.409 -3.163 1.00 0.00 O ATOM 95 CB CYS A 68 -7.880 -3.714 -1.104 1.00 0.00 C ATOM 96 SG CYS A 68 -7.240 -2.026 -1.188 1.00 0.00 S ATOM 0 H CYS A 68 -5.759 -3.707 0.582 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.274 -5.768 -0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.416 -3.933 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.605 -3.776 -0.292 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.016 -1.586 0.015 1.00 0.00 H new ATOM 102 N LEU A 69 -4.534 -5.042 -1.709 1.00 0.00 N ATOM 103 CA LEU A 69 -3.474 -5.063 -2.710 1.00 0.00 C ATOM 104 C LEU A 69 -3.130 -6.503 -3.064 1.00 0.00 C ATOM 105 O LEU A 69 -3.280 -7.403 -2.238 1.00 0.00 O ATOM 106 CB LEU A 69 -2.225 -4.340 -2.200 1.00 0.00 C ATOM 107 CG LEU A 69 -2.392 -2.838 -1.975 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.160 -2.263 -1.293 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.649 -2.126 -3.295 1.00 0.00 C ATOM 0 H LEU A 69 -4.228 -5.283 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.830 -4.544 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.916 -4.800 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.416 -4.497 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.253 -2.681 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.295 -1.192 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.016 -2.752 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.285 -2.432 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.765 -1.057 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.807 -2.291 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.559 -2.519 -3.749 1.00 0.00 H new ATOM 121 N ARG A 70 -2.675 -6.720 -4.290 1.00 0.00 N ATOM 122 CA ARG A 70 -2.316 -8.060 -4.737 1.00 0.00 C ATOM 123 C ARG A 70 -0.837 -8.141 -5.089 1.00 0.00 C ATOM 124 O ARG A 70 -0.360 -7.430 -5.974 1.00 0.00 O ATOM 125 CB ARG A 70 -3.153 -8.462 -5.953 1.00 0.00 C ATOM 126 CG ARG A 70 -4.638 -8.597 -5.659 1.00 0.00 C ATOM 127 CD ARG A 70 -5.414 -9.006 -6.902 1.00 0.00 C ATOM 128 NE ARG A 70 -5.170 -10.399 -7.269 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.342 -10.884 -8.498 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.741 -10.088 -9.482 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.113 -12.167 -8.742 1.00 0.00 N ATOM 0 H ARG A 70 -2.546 -5.990 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.519 -8.748 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.014 -7.720 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.781 -9.411 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.789 -9.337 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.024 -7.650 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.480 -8.859 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.134 -8.358 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.849 -11.038 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.917 -9.100 -9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.871 -10.464 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.805 -12.782 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.245 -12.539 -9.683 1.00 0.00 H new ATOM 145 N GLU A 71 -0.113 -9.006 -4.389 1.00 0.00 N ATOM 146 CA GLU A 71 1.306 -9.186 -4.650 1.00 0.00 C ATOM 147 C GLU A 71 1.515 -10.375 -5.580 1.00 0.00 C ATOM 148 O GLU A 71 1.245 -11.519 -5.214 1.00 0.00 O ATOM 149 CB GLU A 71 2.077 -9.382 -3.344 1.00 0.00 C ATOM 150 CG GLU A 71 3.586 -9.369 -3.526 1.00 0.00 C ATOM 151 CD GLU A 71 4.318 -8.883 -2.290 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.490 -9.683 -1.348 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.719 -7.700 -2.266 1.00 0.00 O ATOM 0 H GLU A 71 -0.485 -9.590 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 71 1.689 -8.288 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.796 -8.596 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.781 -10.330 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.927 -10.374 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.841 -8.728 -4.370 1.00 0.00 H new ATOM 160 N ASP A 72 1.986 -10.092 -6.791 1.00 0.00 N ATOM 161 CA ASP A 72 2.211 -11.131 -7.788 1.00 0.00 C ATOM 162 C ASP A 72 0.916 -11.886 -8.073 1.00 0.00 C ATOM 163 O ASP A 72 0.939 -13.033 -8.520 1.00 0.00 O ATOM 164 CB ASP A 72 3.297 -12.101 -7.320 1.00 0.00 C ATOM 165 CG ASP A 72 4.664 -11.448 -7.262 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.382 -11.477 -8.285 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.018 -10.908 -6.193 1.00 0.00 O ATOM 0 H ASP A 72 2.219 -9.150 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 72 2.547 -10.654 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.038 -12.485 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.333 -12.956 -7.995 1.00 0.00 H new ATOM 172 N GLY A 73 -0.215 -11.230 -7.818 1.00 0.00 N ATOM 173 CA GLY A 73 -1.505 -11.850 -8.055 1.00 0.00 C ATOM 174 C GLY A 73 -2.107 -12.472 -6.807 1.00 0.00 C ATOM 175 O GLY A 73 -3.251 -12.923 -6.828 1.00 0.00 O ATOM 0 H GLY A 73 -0.259 -10.279 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.193 -11.102 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.397 -12.618 -8.820 1.00 0.00 H new ATOM 179 N GLU A 74 -1.346 -12.496 -5.714 1.00 0.00 N ATOM 180 CA GLU A 74 -1.828 -13.080 -4.468 1.00 0.00 C ATOM 181 C GLU A 74 -2.410 -12.013 -3.544 1.00 0.00 C ATOM 182 O GLU A 74 -1.754 -11.023 -3.222 1.00 0.00 O ATOM 183 CB GLU A 74 -0.701 -13.845 -3.772 1.00 0.00 C ATOM 184 CG GLU A 74 -0.060 -14.909 -4.655 1.00 0.00 C ATOM 185 CD GLU A 74 -1.078 -15.699 -5.460 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.851 -16.469 -4.851 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.105 -15.543 -6.699 1.00 0.00 O ATOM 0 H GLU A 74 -0.399 -12.120 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.629 -13.779 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.065 -13.138 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.094 -14.318 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.644 -14.432 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.514 -15.594 -4.031 1.00 0.00 H new ATOM 194 N ARG A 75 -3.650 -12.239 -3.115 1.00 0.00 N ATOM 195 CA ARG A 75 -4.362 -11.303 -2.249 1.00 0.00 C ATOM 196 C ARG A 75 -3.715 -11.184 -0.869 1.00 0.00 C ATOM 197 O ARG A 75 -3.694 -12.141 -0.096 1.00 0.00 O ATOM 198 CB ARG A 75 -5.818 -11.748 -2.093 1.00 0.00 C ATOM 199 CG ARG A 75 -6.751 -10.644 -1.623 1.00 0.00 C ATOM 200 CD ARG A 75 -6.997 -9.626 -2.724 1.00 0.00 C ATOM 201 NE ARG A 75 -7.443 -10.264 -3.967 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.681 -10.191 -4.467 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.647 -9.529 -3.837 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.957 -10.801 -5.612 1.00 0.00 N ATOM 0 H ARG A 75 -4.187 -13.072 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.315 -10.322 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.176 -12.130 -3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.861 -12.574 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.700 -11.077 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.321 -10.147 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.748 -8.908 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.081 -9.065 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.755 -10.805 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.452 -9.062 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.583 -9.488 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.228 -11.319 -6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.898 -10.752 -6.002 1.00 0.00 H new ATOM 218 N CYS A 76 -3.201 -9.995 -0.568 1.00 0.00 N ATOM 219 CA CYS A 76 -2.570 -9.729 0.720 1.00 0.00 C ATOM 220 C CYS A 76 -3.531 -10.067 1.859 1.00 0.00 C ATOM 221 O CYS A 76 -4.566 -9.421 2.020 1.00 0.00 O ATOM 222 CB CYS A 76 -2.150 -8.258 0.800 1.00 0.00 C ATOM 223 SG CYS A 76 -1.356 -7.787 2.355 1.00 0.00 S ATOM 0 H CYS A 76 -3.210 -9.197 -1.203 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.684 -10.356 0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.467 -8.043 -0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.031 -7.633 0.653 1.00 0.00 H new ATOM 228 N GLY A 77 -3.183 -11.081 2.646 1.00 0.00 N ATOM 229 CA GLY A 77 -4.038 -11.493 3.745 1.00 0.00 C ATOM 230 C GLY A 77 -3.656 -10.863 5.073 1.00 0.00 C ATOM 231 O GLY A 77 -3.423 -11.569 6.054 1.00 0.00 O ATOM 0 H GLY A 77 -2.326 -11.624 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.070 -11.232 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.997 -12.578 3.841 1.00 0.00 H new ATOM 235 N ARG A 78 -3.594 -9.536 5.108 1.00 0.00 N ATOM 236 CA ARG A 78 -3.254 -8.824 6.335 1.00 0.00 C ATOM 237 C ARG A 78 -4.297 -7.754 6.639 1.00 0.00 C ATOM 238 O ARG A 78 -4.864 -7.152 5.729 1.00 0.00 O ATOM 239 CB ARG A 78 -1.867 -8.188 6.232 1.00 0.00 C ATOM 240 CG ARG A 78 -1.368 -7.622 7.553 1.00 0.00 C ATOM 241 CD ARG A 78 0.013 -7.006 7.414 1.00 0.00 C ATOM 242 NE ARG A 78 0.572 -6.625 8.708 1.00 0.00 N ATOM 243 CZ ARG A 78 1.170 -7.482 9.530 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.274 -8.761 9.196 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.661 -7.060 10.688 1.00 0.00 N ATOM 0 H ARG A 78 -3.774 -8.934 4.305 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.242 -9.548 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.158 -8.934 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.894 -7.390 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.068 -6.868 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.339 -8.414 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.680 -7.716 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.044 -6.128 6.771 1.00 0.00 H new ATOM 0 HE ARG A 78 0.500 -5.649 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.895 -9.089 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.733 -9.417 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.580 -6.077 10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.120 -7.718 11.318 1.00 0.00 H new ATOM 259 N ALA A 79 -4.542 -7.521 7.922 1.00 0.00 N ATOM 260 CA ALA A 79 -5.527 -6.534 8.344 1.00 0.00 C ATOM 261 C ALA A 79 -5.242 -5.156 7.754 1.00 0.00 C ATOM 262 O ALA A 79 -4.098 -4.702 7.736 1.00 0.00 O ATOM 263 CB ALA A 79 -5.573 -6.453 9.862 1.00 0.00 C ATOM 0 H ALA A 79 -4.072 -8.002 8.689 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.497 -6.859 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.313 -5.712 10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.846 -7.426 10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.593 -6.163 10.241 1.00 0.00 H new ATOM 269 N ALA A 80 -6.293 -4.497 7.268 1.00 0.00 N ATOM 270 CA ALA A 80 -6.158 -3.164 6.695 1.00 0.00 C ATOM 271 C ALA A 80 -5.878 -2.147 7.795 1.00 0.00 C ATOM 272 O ALA A 80 -6.359 -2.291 8.919 1.00 0.00 O ATOM 273 CB ALA A 80 -7.413 -2.786 5.922 1.00 0.00 C ATOM 0 H ALA A 80 -7.244 -4.866 7.261 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.318 -3.165 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.294 -1.788 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.574 -3.503 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.271 -2.797 6.594 1.00 0.00 H new ATOM 279 N GLY A 81 -5.105 -1.119 7.467 1.00 0.00 N ATOM 280 CA GLY A 81 -4.761 -0.111 8.452 1.00 0.00 C ATOM 281 C GLY A 81 -5.652 1.114 8.412 1.00 0.00 C ATOM 282 O GLY A 81 -6.879 1.005 8.404 1.00 0.00 O ATOM 0 H GLY A 81 -4.711 -0.965 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.814 -0.555 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.727 0.198 8.296 1.00 0.00 H new ATOM 286 N ASN A 82 -5.026 2.286 8.383 1.00 0.00 N ATOM 287 CA ASN A 82 -5.757 3.546 8.372 1.00 0.00 C ATOM 288 C ASN A 82 -5.427 4.391 7.138 1.00 0.00 C ATOM 289 O ASN A 82 -6.119 5.366 6.845 1.00 0.00 O ATOM 290 CB ASN A 82 -5.431 4.324 9.653 1.00 0.00 C ATOM 291 CG ASN A 82 -6.256 5.587 9.833 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.778 6.569 10.401 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.503 5.570 9.371 1.00 0.00 N ATOM 0 H ASN A 82 -4.011 2.388 8.367 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.823 3.324 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.590 3.673 10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.374 4.590 9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.099 6.390 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.863 4.737 8.906 1.00 0.00 H new ATOM 300 N ALA A 83 -4.372 4.018 6.415 1.00 0.00 N ATOM 301 CA ALA A 83 -3.969 4.755 5.223 1.00 0.00 C ATOM 302 C ALA A 83 -4.949 4.539 4.076 1.00 0.00 C ATOM 303 O ALA A 83 -5.842 3.696 4.157 1.00 0.00 O ATOM 304 CB ALA A 83 -2.568 4.346 4.798 1.00 0.00 C ATOM 0 H ALA A 83 -3.785 3.213 6.634 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.972 5.816 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.281 4.904 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.866 4.562 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.552 3.278 4.578 1.00 0.00 H new ATOM 310 N SER A 84 -4.771 5.309 3.009 1.00 0.00 N ATOM 311 CA SER A 84 -5.635 5.207 1.842 1.00 0.00 C ATOM 312 C SER A 84 -4.828 5.324 0.555 1.00 0.00 C ATOM 313 O SER A 84 -4.089 6.288 0.358 1.00 0.00 O ATOM 314 CB SER A 84 -6.709 6.295 1.882 1.00 0.00 C ATOM 315 OG SER A 84 -6.126 7.585 1.947 1.00 0.00 O ATOM 0 H SER A 84 -4.035 6.011 2.929 1.00 0.00 H new ATOM 0 HA SER A 84 -6.115 4.229 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.339 6.221 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.355 6.141 2.746 1.00 0.00 H new ATOM 0 HG SER A 84 -5.248 7.570 1.512 1.00 0.00 H new ATOM 321 N PHE A 85 -4.970 4.331 -0.316 1.00 0.00 N ATOM 322 CA PHE A 85 -4.268 4.325 -1.593 1.00 0.00 C ATOM 323 C PHE A 85 -4.501 5.642 -2.325 1.00 0.00 C ATOM 324 O PHE A 85 -5.620 6.155 -2.355 1.00 0.00 O ATOM 325 CB PHE A 85 -4.751 3.149 -2.437 1.00 0.00 C ATOM 326 CG PHE A 85 -4.089 3.025 -3.780 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.845 2.426 -3.908 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.732 3.475 -4.921 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.260 2.274 -5.151 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.149 3.335 -6.163 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.915 2.732 -6.280 1.00 0.00 C ATOM 0 H PHE A 85 -5.566 3.518 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.198 4.216 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.586 2.227 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.827 3.243 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.328 2.075 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.702 3.942 -4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.294 1.799 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.659 3.698 -7.043 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.460 2.617 -7.253 1.00 0.00 H new ATOM 341 N SER A 86 -3.442 6.185 -2.907 1.00 0.00 N ATOM 342 CA SER A 86 -3.531 7.449 -3.623 1.00 0.00 C ATOM 343 C SER A 86 -2.604 7.451 -4.837 1.00 0.00 C ATOM 344 O SER A 86 -2.269 6.398 -5.372 1.00 0.00 O ATOM 345 CB SER A 86 -3.169 8.600 -2.678 1.00 0.00 C ATOM 346 OG SER A 86 -4.214 9.554 -2.605 1.00 0.00 O ATOM 0 H SER A 86 -2.510 5.770 -2.897 1.00 0.00 H new ATOM 0 HA SER A 86 -4.553 7.580 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.964 8.205 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.256 9.084 -3.024 1.00 0.00 H new ATOM 0 HG SER A 86 -3.956 10.276 -1.994 1.00 0.00 H new ATOM 352 N LYS A 87 -2.258 8.643 -5.309 1.00 0.00 N ATOM 353 CA LYS A 87 -1.355 8.798 -6.445 1.00 0.00 C ATOM 354 C LYS A 87 0.116 8.650 -6.037 1.00 0.00 C ATOM 355 O LYS A 87 0.865 7.879 -6.638 1.00 0.00 O ATOM 356 CB LYS A 87 -1.588 10.154 -7.097 1.00 0.00 C ATOM 357 CG LYS A 87 -3.029 10.373 -7.519 1.00 0.00 C ATOM 358 CD LYS A 87 -3.443 11.822 -7.338 1.00 0.00 C ATOM 359 CE LYS A 87 -4.611 12.184 -8.240 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.800 11.327 -7.984 1.00 0.00 N ATOM 0 H LYS A 87 -2.592 9.524 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.572 8.002 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.296 10.940 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.942 10.246 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.152 10.085 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.684 9.729 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.718 11.996 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.597 12.473 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.878 13.229 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.309 12.083 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.599 11.661 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.579 10.343 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.054 11.377 -6.977 1.00 0.00 H new ATOM 374 N ARG A 88 0.517 9.402 -5.012 1.00 0.00 N ATOM 375 CA ARG A 88 1.896 9.382 -4.522 1.00 0.00 C ATOM 376 C ARG A 88 2.360 7.958 -4.261 1.00 0.00 C ATOM 377 O ARG A 88 3.519 7.621 -4.505 1.00 0.00 O ATOM 378 CB ARG A 88 2.002 10.219 -3.240 1.00 0.00 C ATOM 379 CG ARG A 88 3.333 10.088 -2.515 1.00 0.00 C ATOM 380 CD ARG A 88 3.269 9.053 -1.400 1.00 0.00 C ATOM 381 NE ARG A 88 2.282 9.403 -0.377 1.00 0.00 N ATOM 382 CZ ARG A 88 2.535 10.201 0.659 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.730 10.759 0.798 1.00 0.00 N ATOM 384 NH2 ARG A 88 1.588 10.447 1.554 1.00 0.00 N ATOM 0 H ARG A 88 -0.098 10.036 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 88 2.542 9.812 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.839 11.267 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.201 9.925 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.109 9.808 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.617 11.054 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.021 8.080 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.251 8.958 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 88 1.344 9.012 -0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.461 10.578 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.918 11.369 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.665 10.025 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.782 11.058 2.347 1.00 0.00 H new ATOM 398 N ILE A 89 1.456 7.126 -3.768 1.00 0.00 N ATOM 399 CA ILE A 89 1.781 5.737 -3.498 1.00 0.00 C ATOM 400 C ILE A 89 1.994 4.990 -4.810 1.00 0.00 C ATOM 401 O ILE A 89 2.888 4.151 -4.921 1.00 0.00 O ATOM 402 CB ILE A 89 0.678 5.057 -2.667 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.533 5.771 -1.321 1.00 0.00 C ATOM 404 CG2 ILE A 89 0.991 3.581 -2.460 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.473 5.126 -0.394 1.00 0.00 C ATOM 0 H ILE A 89 0.495 7.388 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 89 2.702 5.708 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.265 5.126 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.504 5.796 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.239 6.805 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.199 3.120 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.059 3.084 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.940 3.481 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.520 5.688 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.455 5.125 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.170 4.100 -0.185 1.00 0.00 H new ATOM 417 N GLN A 90 1.170 5.308 -5.805 1.00 0.00 N ATOM 418 CA GLN A 90 1.289 4.694 -7.122 1.00 0.00 C ATOM 419 C GLN A 90 2.654 5.022 -7.706 1.00 0.00 C ATOM 420 O GLN A 90 3.373 4.147 -8.190 1.00 0.00 O ATOM 421 CB GLN A 90 0.194 5.217 -8.055 1.00 0.00 C ATOM 422 CG GLN A 90 0.355 4.773 -9.502 1.00 0.00 C ATOM 423 CD GLN A 90 0.097 5.897 -10.487 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.746 5.985 -11.530 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.859 6.760 -10.165 1.00 0.00 N ATOM 0 H GLN A 90 0.413 5.987 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 90 1.178 3.614 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.775 4.880 -7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.188 6.306 -8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.364 4.389 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.332 3.952 -9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.372 6.650 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.080 7.533 -10.792 1.00 0.00 H new ATOM 434 N LYS A 91 2.990 6.302 -7.655 1.00 0.00 N ATOM 435 CA LYS A 91 4.256 6.791 -8.152 1.00 0.00 C ATOM 436 C LYS A 91 5.406 6.117 -7.409 1.00 0.00 C ATOM 437 O LYS A 91 6.436 5.783 -7.999 1.00 0.00 O ATOM 438 CB LYS A 91 4.295 8.309 -7.977 1.00 0.00 C ATOM 439 CG LYS A 91 4.059 9.089 -9.265 1.00 0.00 C ATOM 440 CD LYS A 91 5.217 8.952 -10.245 1.00 0.00 C ATOM 441 CE LYS A 91 4.913 7.958 -11.361 1.00 0.00 C ATOM 442 NZ LYS A 91 3.578 8.195 -11.981 1.00 0.00 N ATOM 0 H LYS A 91 2.388 7.028 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 91 4.364 6.552 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.541 8.599 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.264 8.592 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.142 8.736 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.910 10.142 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.440 9.926 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.109 8.631 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.685 8.028 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.951 6.944 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.615 7.948 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.865 7.605 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.321 9.198 -11.879 1.00 0.00 H new ATOM 456 N SER A 92 5.215 5.909 -6.109 1.00 0.00 N ATOM 457 CA SER A 92 6.220 5.253 -5.284 1.00 0.00 C ATOM 458 C SER A 92 6.452 3.833 -5.784 1.00 0.00 C ATOM 459 O SER A 92 7.587 3.422 -6.014 1.00 0.00 O ATOM 460 CB SER A 92 5.778 5.233 -3.819 1.00 0.00 C ATOM 461 OG SER A 92 6.715 4.543 -3.011 1.00 0.00 O ATOM 0 H SER A 92 4.372 6.186 -5.606 1.00 0.00 H new ATOM 0 HA SER A 92 7.153 5.812 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.664 6.255 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.802 4.755 -3.737 1.00 0.00 H new ATOM 0 HG SER A 92 6.707 4.920 -2.106 1.00 0.00 H new ATOM 467 N ILE A 93 5.361 3.090 -5.956 1.00 0.00 N ATOM 468 CA ILE A 93 5.436 1.718 -6.444 1.00 0.00 C ATOM 469 C ILE A 93 6.117 1.674 -7.809 1.00 0.00 C ATOM 470 O ILE A 93 6.923 0.786 -8.084 1.00 0.00 O ATOM 471 CB ILE A 93 4.031 1.086 -6.561 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.341 1.058 -5.197 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.118 -0.321 -7.139 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.884 0.653 -5.266 1.00 0.00 C ATOM 0 H ILE A 93 4.414 3.417 -5.764 1.00 0.00 H new ATOM 0 HA ILE A 93 6.020 1.147 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 93 3.438 1.700 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.872 0.365 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.414 2.045 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.117 -0.747 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.568 -0.280 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.731 -0.945 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.458 0.655 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.339 1.359 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.804 -0.347 -5.692 1.00 0.00 H new ATOM 486 N SER A 94 5.784 2.642 -8.658 1.00 0.00 N ATOM 487 CA SER A 94 6.355 2.719 -9.997 1.00 0.00 C ATOM 488 C SER A 94 7.866 2.920 -9.938 1.00 0.00 C ATOM 489 O SER A 94 8.603 2.387 -10.769 1.00 0.00 O ATOM 490 CB SER A 94 5.703 3.856 -10.786 1.00 0.00 C ATOM 491 OG SER A 94 4.325 3.600 -11.001 1.00 0.00 O ATOM 0 H SER A 94 5.120 3.385 -8.441 1.00 0.00 H new ATOM 0 HA SER A 94 6.157 1.775 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.822 4.794 -10.244 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.208 3.975 -11.744 1.00 0.00 H new ATOM 0 HG SER A 94 3.833 3.731 -10.163 1.00 0.00 H new ATOM 497 N GLN A 95 8.323 3.696 -8.961 1.00 0.00 N ATOM 498 CA GLN A 95 9.749 3.950 -8.801 1.00 0.00 C ATOM 499 C GLN A 95 10.458 2.688 -8.313 1.00 0.00 C ATOM 500 O GLN A 95 11.657 2.511 -8.533 1.00 0.00 O ATOM 501 CB GLN A 95 9.981 5.104 -7.824 1.00 0.00 C ATOM 502 CG GLN A 95 11.157 5.996 -8.193 1.00 0.00 C ATOM 503 CD GLN A 95 11.034 6.581 -9.589 1.00 0.00 C ATOM 504 OE1 GLN A 95 9.935 6.695 -10.134 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.163 6.969 -10.172 1.00 0.00 N ATOM 0 H GLN A 95 7.730 4.158 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 95 10.163 4.231 -9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.078 5.712 -7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.146 4.696 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.233 6.807 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.080 5.420 -8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.053 6.857 -9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.140 7.379 -11.106 1.00 0.00 H new ATOM 514 N LYS A 96 9.706 1.814 -7.645 1.00 0.00 N ATOM 515 CA LYS A 96 10.253 0.557 -7.142 1.00 0.00 C ATOM 516 C LYS A 96 10.272 -0.491 -8.243 1.00 0.00 C ATOM 517 O LYS A 96 11.234 -1.246 -8.383 1.00 0.00 O ATOM 518 CB LYS A 96 9.408 0.005 -5.992 1.00 0.00 C ATOM 519 CG LYS A 96 9.251 0.938 -4.810 1.00 0.00 C ATOM 520 CD LYS A 96 8.495 0.252 -3.683 1.00 0.00 C ATOM 521 CE LYS A 96 8.041 1.237 -2.621 1.00 0.00 C ATOM 522 NZ LYS A 96 8.996 2.366 -2.463 1.00 0.00 N ATOM 0 H LYS A 96 8.717 1.954 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 96 11.264 0.766 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.418 -0.243 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.857 -0.925 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.232 1.254 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.718 1.837 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.627 -0.266 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.133 -0.505 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.058 1.628 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.932 0.718 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.773 2.890 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.966 1.995 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.918 3.003 -3.281 1.00 0.00 H new ATOM 536 N LYS A 97 9.187 -0.526 -9.014 1.00 0.00 N ATOM 537 CA LYS A 97 9.027 -1.498 -10.086 1.00 0.00 C ATOM 538 C LYS A 97 8.760 -2.874 -9.484 1.00 0.00 C ATOM 539 O LYS A 97 9.607 -3.765 -9.531 1.00 0.00 O ATOM 540 CB LYS A 97 10.260 -1.529 -10.997 1.00 0.00 C ATOM 541 CG LYS A 97 10.035 -0.859 -12.342 1.00 0.00 C ATOM 542 CD LYS A 97 8.990 -1.597 -13.162 1.00 0.00 C ATOM 543 CE LYS A 97 7.809 -0.702 -13.496 1.00 0.00 C ATOM 544 NZ LYS A 97 6.512 -1.416 -13.338 1.00 0.00 N ATOM 0 H LYS A 97 8.400 0.115 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 97 8.178 -1.205 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.090 -1.038 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.555 -2.565 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.717 0.172 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.974 -0.824 -12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.442 -1.964 -14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.642 -2.469 -12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.823 0.175 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.904 -0.343 -14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.730 -0.772 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.489 -2.238 -13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.410 -1.737 -12.354 1.00 0.00 H new ATOM 558 N VAL A 98 7.572 -3.022 -8.898 1.00 0.00 N ATOM 559 CA VAL A 98 7.175 -4.272 -8.261 1.00 0.00 C ATOM 560 C VAL A 98 5.772 -4.694 -8.690 1.00 0.00 C ATOM 561 O VAL A 98 5.066 -3.945 -9.364 1.00 0.00 O ATOM 562 CB VAL A 98 7.212 -4.143 -6.727 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.617 -3.806 -6.252 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.217 -3.091 -6.257 1.00 0.00 C ATOM 0 H VAL A 98 6.867 -2.287 -8.853 1.00 0.00 H new ATOM 0 HA VAL A 98 7.888 -5.033 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 98 6.927 -5.102 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.623 -3.719 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.303 -4.596 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.933 -2.861 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.256 -3.013 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.470 -2.128 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.211 -3.378 -6.564 1.00 0.00 H new ATOM 574 N LYS A 99 5.374 -5.898 -8.285 1.00 0.00 N ATOM 575 CA LYS A 99 4.058 -6.429 -8.632 1.00 0.00 C ATOM 576 C LYS A 99 3.033 -6.139 -7.539 1.00 0.00 C ATOM 577 O LYS A 99 2.544 -7.051 -6.875 1.00 0.00 O ATOM 578 CB LYS A 99 4.146 -7.938 -8.869 1.00 0.00 C ATOM 579 CG LYS A 99 5.090 -8.324 -9.996 1.00 0.00 C ATOM 580 CD LYS A 99 4.342 -8.547 -11.300 1.00 0.00 C ATOM 581 CE LYS A 99 5.293 -8.616 -12.483 1.00 0.00 C ATOM 582 NZ LYS A 99 5.985 -7.317 -12.714 1.00 0.00 N ATOM 0 H LYS A 99 5.944 -6.524 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 99 3.730 -5.934 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.474 -8.423 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.150 -8.321 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.835 -7.540 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.629 -9.232 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.769 -9.472 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.627 -7.739 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.034 -9.396 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.739 -8.897 -13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.348 -7.286 -13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.314 -6.536 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.777 -7.222 -12.046 1.00 0.00 H new ATOM 596 N ILE A 100 2.714 -4.863 -7.357 1.00 0.00 N ATOM 597 CA ILE A 100 1.736 -4.456 -6.356 1.00 0.00 C ATOM 598 C ILE A 100 0.828 -3.369 -6.914 1.00 0.00 C ATOM 599 O ILE A 100 1.189 -2.194 -6.938 1.00 0.00 O ATOM 600 CB ILE A 100 2.410 -3.944 -5.066 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.309 -5.027 -4.471 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.360 -3.507 -4.052 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.973 -4.615 -3.175 1.00 0.00 C ATOM 0 H ILE A 100 3.118 -4.093 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 100 1.147 -5.339 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 100 3.026 -3.080 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.716 -5.925 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.079 -5.289 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.854 -3.149 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.755 -2.706 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.719 -4.353 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.596 -5.432 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.593 -3.735 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.209 -4.381 -2.433 1.00 0.00 H new ATOM 615 N GLU A 101 -0.350 -3.774 -7.371 1.00 0.00 N ATOM 616 CA GLU A 101 -1.308 -2.835 -7.934 1.00 0.00 C ATOM 617 C GLU A 101 -2.636 -2.911 -7.200 1.00 0.00 C ATOM 618 O GLU A 101 -2.830 -3.754 -6.323 1.00 0.00 O ATOM 619 CB GLU A 101 -1.524 -3.119 -9.419 1.00 0.00 C ATOM 620 CG GLU A 101 -1.989 -4.538 -9.703 1.00 0.00 C ATOM 621 CD GLU A 101 -2.650 -4.675 -11.059 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.016 -4.304 -12.070 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.805 -5.148 -11.110 1.00 0.00 O ATOM 0 H GLU A 101 -0.663 -4.745 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.901 -1.831 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.261 -2.418 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.593 -2.936 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.135 -5.214 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.690 -4.848 -8.928 1.00 0.00 H new ATOM 630 N LEU A 102 -3.549 -2.026 -7.566 1.00 0.00 N ATOM 631 CA LEU A 102 -4.858 -1.993 -6.944 1.00 0.00 C ATOM 632 C LEU A 102 -5.844 -2.890 -7.682 1.00 0.00 C ATOM 633 O LEU A 102 -5.919 -2.878 -8.910 1.00 0.00 O ATOM 634 CB LEU A 102 -5.396 -0.565 -6.901 1.00 0.00 C ATOM 635 CG LEU A 102 -6.860 -0.464 -6.489 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.040 -0.842 -5.029 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.398 0.916 -6.746 1.00 0.00 C ATOM 0 H LEU A 102 -3.406 -1.322 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.747 -2.366 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.793 0.018 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.275 -0.113 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.426 -1.169 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.093 -0.762 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.703 -1.867 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.453 -0.169 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.444 0.961 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.823 1.643 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.318 1.146 -7.808 1.00 0.00 H new ATOM 649 N ASP A 103 -6.618 -3.640 -6.915 1.00 0.00 N ATOM 650 CA ASP A 103 -7.620 -4.527 -7.480 1.00 0.00 C ATOM 651 C ASP A 103 -8.845 -3.701 -7.825 1.00 0.00 C ATOM 652 O ASP A 103 -9.059 -2.644 -7.234 1.00 0.00 O ATOM 653 CB ASP A 103 -7.989 -5.626 -6.484 1.00 0.00 C ATOM 654 CG ASP A 103 -9.076 -6.551 -7.006 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.791 -7.347 -7.927 1.00 0.00 O ATOM 656 OD2 ASP A 103 -10.213 -6.479 -6.495 1.00 0.00 O ATOM 0 H ASP A 103 -6.571 -3.652 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.225 -5.007 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.100 -6.212 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.323 -5.169 -5.553 1.00 0.00 H new ATOM 661 N LYS A 104 -9.646 -4.161 -8.770 1.00 0.00 N ATOM 662 CA LYS A 104 -10.830 -3.410 -9.161 1.00 0.00 C ATOM 663 C LYS A 104 -12.099 -4.033 -8.594 1.00 0.00 C ATOM 664 O LYS A 104 -13.109 -3.350 -8.420 1.00 0.00 O ATOM 665 CB LYS A 104 -10.914 -3.310 -10.682 1.00 0.00 C ATOM 666 CG LYS A 104 -9.578 -2.994 -11.333 1.00 0.00 C ATOM 667 CD LYS A 104 -9.752 -2.238 -12.639 1.00 0.00 C ATOM 668 CE LYS A 104 -8.614 -2.527 -13.605 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.312 -2.704 -12.902 1.00 0.00 N ATOM 0 H LYS A 104 -9.504 -5.036 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.743 -2.406 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.293 -4.251 -11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.634 -2.537 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.971 -2.402 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.036 -3.921 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.700 -2.516 -13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.797 -1.168 -12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.843 -3.428 -14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.531 -1.709 -14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.532 -2.495 -13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.265 -2.056 -12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.229 -3.685 -12.567 1.00 0.00 H new ATOM 683 N SER A 105 -12.048 -5.327 -8.300 1.00 0.00 N ATOM 684 CA SER A 105 -13.202 -6.022 -7.741 1.00 0.00 C ATOM 685 C SER A 105 -13.456 -5.586 -6.298 1.00 0.00 C ATOM 686 O SER A 105 -14.537 -5.813 -5.755 1.00 0.00 O ATOM 687 CB SER A 105 -12.995 -7.537 -7.793 1.00 0.00 C ATOM 688 OG SER A 105 -12.269 -7.992 -6.664 1.00 0.00 O ATOM 0 H SER A 105 -11.225 -5.914 -8.438 1.00 0.00 H new ATOM 0 HA SER A 105 -14.072 -5.761 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.962 -8.038 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.460 -7.803 -8.705 1.00 0.00 H new ATOM 0 HG SER A 105 -11.448 -7.466 -6.569 1.00 0.00 H new ATOM 694 N ALA A 106 -12.451 -4.961 -5.681 1.00 0.00 N ATOM 695 CA ALA A 106 -12.562 -4.502 -4.302 1.00 0.00 C ATOM 696 C ALA A 106 -13.595 -3.389 -4.158 1.00 0.00 C ATOM 697 O ALA A 106 -14.402 -3.154 -5.057 1.00 0.00 O ATOM 698 CB ALA A 106 -11.205 -4.031 -3.800 1.00 0.00 C ATOM 0 H ALA A 106 -11.551 -4.763 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.900 -5.343 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.297 -3.690 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.493 -4.855 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.851 -3.210 -4.424 1.00 0.00 H new ATOM 704 N ARG A 107 -13.561 -2.709 -3.015 1.00 0.00 N ATOM 705 CA ARG A 107 -14.493 -1.623 -2.744 1.00 0.00 C ATOM 706 C ARG A 107 -13.803 -0.489 -1.993 1.00 0.00 C ATOM 707 O ARG A 107 -13.624 0.607 -2.525 1.00 0.00 O ATOM 708 CB ARG A 107 -15.677 -2.145 -1.922 1.00 0.00 C ATOM 709 CG ARG A 107 -17.002 -1.462 -2.237 1.00 0.00 C ATOM 710 CD ARG A 107 -17.350 -0.398 -1.206 1.00 0.00 C ATOM 711 NE ARG A 107 -16.570 0.830 -1.390 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.050 1.982 -1.868 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.328 2.114 -2.210 1.00 0.00 N ATOM 714 NH2 ARG A 107 -16.235 3.020 -2.000 1.00 0.00 N ATOM 0 H ARG A 107 -12.897 -2.892 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.855 -1.236 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.782 -3.216 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -15.456 -2.014 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.950 -1.006 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.796 -2.208 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.413 -0.164 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.172 -0.792 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.583 0.803 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.967 1.325 -2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.670 3.004 -2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.253 2.934 -1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.590 3.904 -2.364 1.00 0.00 H new ATOM 728 N HIS A 108 -13.416 -0.762 -0.752 1.00 0.00 N ATOM 729 CA HIS A 108 -12.762 0.235 0.089 1.00 0.00 C ATOM 730 C HIS A 108 -11.312 0.468 -0.325 1.00 0.00 C ATOM 731 O HIS A 108 -10.667 -0.410 -0.899 1.00 0.00 O ATOM 732 CB HIS A 108 -12.822 -0.202 1.554 1.00 0.00 C ATOM 733 CG HIS A 108 -12.136 -1.509 1.820 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.765 -1.655 1.830 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.646 -2.734 2.089 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.461 -2.914 2.093 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.584 -3.589 2.254 1.00 0.00 N ATOM 0 H HIS A 108 -13.544 -1.669 -0.304 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.296 1.177 -0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.366 0.570 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.866 -0.281 1.858 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.693 -2.991 2.160 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.463 -3.321 2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.652 -4.584 2.467 1.00 0.00 H new ATOM 746 N LEU A 109 -10.809 1.664 -0.028 1.00 0.00 N ATOM 747 CA LEU A 109 -9.435 2.023 -0.352 1.00 0.00 C ATOM 748 C LEU A 109 -8.602 2.157 0.918 1.00 0.00 C ATOM 749 O LEU A 109 -8.342 3.264 1.391 1.00 0.00 O ATOM 750 CB LEU A 109 -9.390 3.332 -1.144 1.00 0.00 C ATOM 751 CG LEU A 109 -9.978 3.263 -2.553 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.086 4.655 -3.154 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.132 2.362 -3.440 1.00 0.00 C ATOM 0 H LEU A 109 -11.337 2.402 0.438 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.015 1.227 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.926 4.097 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.352 3.658 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.980 2.838 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.507 4.587 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.734 5.271 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.095 5.107 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.565 2.325 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.118 2.758 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.106 1.357 -3.018 1.00 0.00 H new ATOM 765 N TYR A 110 -8.203 1.021 1.475 1.00 0.00 N ATOM 766 CA TYR A 110 -7.393 1.001 2.687 1.00 0.00 C ATOM 767 C TYR A 110 -6.372 -0.125 2.620 1.00 0.00 C ATOM 768 O TYR A 110 -6.715 -1.272 2.331 1.00 0.00 O ATOM 769 CB TYR A 110 -8.272 0.830 3.927 1.00 0.00 C ATOM 770 CG TYR A 110 -9.244 1.966 4.150 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.446 2.015 3.461 1.00 0.00 C ATOM 772 CD2 TYR A 110 -8.964 2.982 5.055 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.344 3.046 3.662 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.855 4.017 5.263 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.044 4.044 4.565 1.00 0.00 C ATOM 776 OH TYR A 110 -11.937 5.071 4.770 1.00 0.00 O ATOM 0 H TYR A 110 -8.428 0.097 1.105 1.00 0.00 H new ATOM 0 HA TYR A 110 -6.870 1.955 2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -8.831 -0.101 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.632 0.735 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.685 1.234 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.035 2.962 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.275 3.070 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.622 4.801 5.968 1.00 0.00 H new ATOM 0 HH TYR A 110 -11.575 5.690 5.438 1.00 0.00 H new ATOM 786 N ILE A 111 -5.116 0.208 2.885 1.00 0.00 N ATOM 787 CA ILE A 111 -4.046 -0.776 2.855 1.00 0.00 C ATOM 788 C ILE A 111 -3.610 -1.150 4.264 1.00 0.00 C ATOM 789 O ILE A 111 -3.988 -0.495 5.235 1.00 0.00 O ATOM 790 CB ILE A 111 -2.827 -0.252 2.073 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.292 1.026 2.718 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.198 -0.003 0.619 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.147 1.657 1.956 1.00 0.00 C ATOM 0 H ILE A 111 -4.814 1.153 3.123 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.438 -1.660 2.352 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.042 -1.008 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.104 1.748 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.962 0.800 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.326 0.367 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.537 -0.934 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.997 0.737 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.819 2.559 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.318 0.952 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.478 1.915 0.950 1.00 0.00 H new ATOM 805 N CYS A 112 -2.818 -2.209 4.370 1.00 0.00 N ATOM 806 CA CYS A 112 -2.327 -2.666 5.662 1.00 0.00 C ATOM 807 C CYS A 112 -1.076 -1.897 6.064 1.00 0.00 C ATOM 808 O CYS A 112 -0.486 -1.183 5.252 1.00 0.00 O ATOM 809 CB CYS A 112 -2.028 -4.164 5.612 1.00 0.00 C ATOM 810 SG CYS A 112 -0.930 -4.648 4.260 1.00 0.00 S ATOM 0 H CYS A 112 -2.502 -2.767 3.577 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.100 -2.483 6.408 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.578 -4.466 6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.967 -4.709 5.517 1.00 0.00 H new ATOM 815 N ASP A 113 -0.676 -2.039 7.322 1.00 0.00 N ATOM 816 CA ASP A 113 0.511 -1.360 7.825 1.00 0.00 C ATOM 817 C ASP A 113 1.755 -1.869 7.106 1.00 0.00 C ATOM 818 O ASP A 113 2.720 -1.131 6.906 1.00 0.00 O ATOM 819 CB ASP A 113 0.651 -1.586 9.332 1.00 0.00 C ATOM 820 CG ASP A 113 0.843 -0.292 10.099 1.00 0.00 C ATOM 821 OD1 ASP A 113 1.544 0.605 9.583 1.00 0.00 O ATOM 822 OD2 ASP A 113 0.297 -0.176 11.216 1.00 0.00 O ATOM 0 H ASP A 113 -1.156 -2.618 8.011 1.00 0.00 H new ATOM 0 HA ASP A 113 0.406 -0.292 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.238 -2.096 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.499 -2.245 9.520 1.00 0.00 H new ATOM 827 N TYR A 114 1.714 -3.138 6.715 1.00 0.00 N ATOM 828 CA TYR A 114 2.828 -3.772 6.019 1.00 0.00 C ATOM 829 C TYR A 114 3.199 -3.010 4.747 1.00 0.00 C ATOM 830 O TYR A 114 4.311 -2.498 4.622 1.00 0.00 O ATOM 831 CB TYR A 114 2.463 -5.223 5.681 1.00 0.00 C ATOM 832 CG TYR A 114 3.412 -5.896 4.712 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.634 -6.398 5.139 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.082 -6.028 3.368 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.501 -7.013 4.255 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.942 -6.642 2.479 1.00 0.00 C ATOM 837 CZ TYR A 114 5.149 -7.133 2.926 1.00 0.00 C ATOM 838 OH TYR A 114 6.010 -7.744 2.044 1.00 0.00 O ATOM 0 H TYR A 114 0.914 -3.752 6.870 1.00 0.00 H new ATOM 0 HA TYR A 114 3.697 -3.757 6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.434 -5.802 6.604 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.458 -5.244 5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.912 -6.307 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.137 -5.644 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.449 -7.397 4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.670 -6.737 1.438 1.00 0.00 H new ATOM 0 HH TYR A 114 5.612 -7.748 1.148 1.00 0.00 H new ATOM 848 N HIS A 115 2.259 -2.932 3.810 1.00 0.00 N ATOM 849 CA HIS A 115 2.501 -2.247 2.545 1.00 0.00 C ATOM 850 C HIS A 115 2.706 -0.747 2.750 1.00 0.00 C ATOM 851 O HIS A 115 3.554 -0.139 2.098 1.00 0.00 O ATOM 852 CB HIS A 115 1.347 -2.501 1.571 1.00 0.00 C ATOM 853 CG HIS A 115 1.408 -3.848 0.916 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.357 -4.732 0.986 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.409 -4.407 0.192 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.738 -5.801 0.308 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.974 -5.650 -0.192 1.00 0.00 N ATOM 0 H HIS A 115 1.326 -3.333 3.902 1.00 0.00 H new ATOM 0 HA HIS A 115 3.419 -2.652 2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.402 -2.408 2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.355 -1.730 0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.365 -3.960 -0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.131 -6.684 0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.491 -6.329 -0.750 1.00 0.00 H new ATOM 865 N LYS A 116 1.935 -0.153 3.653 1.00 0.00 N ATOM 866 CA LYS A 116 2.054 1.276 3.928 1.00 0.00 C ATOM 867 C LYS A 116 3.495 1.633 4.279 1.00 0.00 C ATOM 868 O LYS A 116 4.038 2.625 3.794 1.00 0.00 O ATOM 869 CB LYS A 116 1.129 1.681 5.078 1.00 0.00 C ATOM 870 CG LYS A 116 0.986 3.187 5.245 1.00 0.00 C ATOM 871 CD LYS A 116 0.423 3.544 6.612 1.00 0.00 C ATOM 872 CE LYS A 116 1.525 3.831 7.620 1.00 0.00 C ATOM 873 NZ LYS A 116 2.671 2.892 7.487 1.00 0.00 N ATOM 0 H LYS A 116 1.225 -0.634 4.205 1.00 0.00 H new ATOM 0 HA LYS A 116 1.761 1.820 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.143 1.248 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.510 1.256 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.958 3.663 5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.332 3.580 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.223 4.417 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.197 2.724 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.879 4.853 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.118 3.763 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.396 3.127 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.341 1.918 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.078 2.974 6.534 1.00 0.00 H new ATOM 887 N ASN A 117 4.105 0.811 5.126 1.00 0.00 N ATOM 888 CA ASN A 117 5.482 1.029 5.557 1.00 0.00 C ATOM 889 C ASN A 117 6.465 0.685 4.439 1.00 0.00 C ATOM 890 O ASN A 117 7.480 1.356 4.261 1.00 0.00 O ATOM 891 CB ASN A 117 5.781 0.170 6.789 1.00 0.00 C ATOM 892 CG ASN A 117 7.011 0.636 7.541 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.899 -0.156 7.856 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.062 1.928 7.848 1.00 0.00 N ATOM 0 H ASN A 117 3.665 -0.016 5.530 1.00 0.00 H new ATOM 0 HA ASN A 117 5.600 2.083 5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.921 0.190 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.920 -0.866 6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.860 2.298 8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.303 2.549 7.567 1.00 0.00 H new ATOM 901 N LEU A 118 6.146 -0.363 3.692 1.00 0.00 N ATOM 902 CA LEU A 118 6.991 -0.822 2.596 1.00 0.00 C ATOM 903 C LEU A 118 7.138 0.247 1.515 1.00 0.00 C ATOM 904 O LEU A 118 8.212 0.420 0.941 1.00 0.00 O ATOM 905 CB LEU A 118 6.395 -2.101 1.993 1.00 0.00 C ATOM 906 CG LEU A 118 7.315 -2.891 1.058 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.853 -4.338 0.965 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.350 -2.261 -0.326 1.00 0.00 C ATOM 0 H LEU A 118 5.300 -0.917 3.826 1.00 0.00 H new ATOM 0 HA LEU A 118 7.985 -1.029 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.089 -2.756 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.493 -1.834 1.443 1.00 0.00 H new ATOM 0 HG LEU A 118 8.324 -2.867 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.515 -4.889 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.877 -4.792 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.836 -4.371 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.010 -2.839 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.345 -2.253 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.720 -1.239 -0.251 1.00 0.00 H new ATOM 920 N ILE A 119 6.060 0.979 1.260 1.00 0.00 N ATOM 921 CA ILE A 119 6.057 2.003 0.220 1.00 0.00 C ATOM 922 C ILE A 119 6.477 3.384 0.730 1.00 0.00 C ATOM 923 O ILE A 119 7.386 4.005 0.179 1.00 0.00 O ATOM 924 CB ILE A 119 4.659 2.105 -0.423 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.236 0.740 -0.969 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.652 3.153 -1.527 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.755 0.633 -1.257 1.00 0.00 C ATOM 0 H ILE A 119 5.176 0.883 1.759 1.00 0.00 H new ATOM 0 HA ILE A 119 6.796 1.690 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 119 3.943 2.414 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.791 0.537 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.514 -0.031 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.657 3.210 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.920 4.123 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.374 2.877 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.530 -0.362 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.193 0.804 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.474 1.380 -1.999 1.00 0.00 H new ATOM 939 N GLN A 120 5.816 3.857 1.775 1.00 0.00 N ATOM 940 CA GLN A 120 6.099 5.179 2.330 1.00 0.00 C ATOM 941 C GLN A 120 7.531 5.332 2.846 1.00 0.00 C ATOM 942 O GLN A 120 8.092 6.426 2.794 1.00 0.00 O ATOM 943 CB GLN A 120 5.136 5.487 3.479 1.00 0.00 C ATOM 944 CG GLN A 120 3.753 5.903 3.035 1.00 0.00 C ATOM 945 CD GLN A 120 3.295 7.188 3.698 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.473 8.278 3.153 1.00 0.00 O ATOM 947 NE2 GLN A 120 2.714 7.069 4.885 1.00 0.00 N ATOM 0 H GLN A 120 5.078 3.347 2.259 1.00 0.00 H new ATOM 0 HA GLN A 120 5.967 5.881 1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.051 4.605 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.562 6.281 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.746 6.033 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.046 5.106 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.586 6.146 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.395 7.900 5.382 1.00 0.00 H new ATOM 956 N SER A 121 8.129 4.247 3.328 1.00 0.00 N ATOM 957 CA SER A 121 9.467 4.331 3.913 1.00 0.00 C ATOM 958 C SER A 121 10.593 3.840 2.997 1.00 0.00 C ATOM 959 O SER A 121 11.482 3.116 3.444 1.00 0.00 O ATOM 960 CB SER A 121 9.497 3.552 5.226 1.00 0.00 C ATOM 961 OG SER A 121 10.375 4.159 6.157 1.00 0.00 O ATOM 0 H SER A 121 7.719 3.313 3.327 1.00 0.00 H new ATOM 0 HA SER A 121 9.658 5.391 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.493 3.503 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.814 2.526 5.037 1.00 0.00 H new ATOM 0 HG SER A 121 10.376 3.643 6.990 1.00 0.00 H new ATOM 967 N VAL A 122 10.573 4.240 1.731 1.00 0.00 N ATOM 968 CA VAL A 122 11.638 3.860 0.804 1.00 0.00 C ATOM 969 C VAL A 122 12.279 5.111 0.217 1.00 0.00 C ATOM 970 O VAL A 122 13.502 5.212 0.125 1.00 0.00 O ATOM 971 CB VAL A 122 11.138 2.942 -0.329 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.244 2.676 -1.344 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.618 1.633 0.245 1.00 0.00 C ATOM 0 H VAL A 122 9.840 4.821 1.324 1.00 0.00 H new ATOM 0 HA VAL A 122 12.376 3.293 1.372 1.00 0.00 H new ATOM 0 HB VAL A 122 10.322 3.449 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.865 2.026 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.574 3.620 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.085 2.192 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.268 0.994 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.419 1.128 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.793 1.837 0.928 1.00 0.00 H new ATOM 983 N ARG A 123 11.442 6.067 -0.172 1.00 0.00 N ATOM 984 CA ARG A 123 11.926 7.328 -0.719 1.00 0.00 C ATOM 985 C ARG A 123 12.096 8.341 0.408 1.00 0.00 C ATOM 986 O ARG A 123 11.641 9.480 0.312 1.00 0.00 O ATOM 987 CB ARG A 123 10.953 7.873 -1.768 1.00 0.00 C ATOM 988 CG ARG A 123 10.813 6.988 -2.996 1.00 0.00 C ATOM 989 CD ARG A 123 11.012 7.785 -4.275 1.00 0.00 C ATOM 990 NE ARG A 123 10.306 9.066 -4.239 1.00 0.00 N ATOM 991 CZ ARG A 123 9.103 9.285 -4.772 1.00 0.00 C ATOM 992 NH1 ARG A 123 8.432 8.309 -5.373 1.00 0.00 N ATOM 993 NH2 ARG A 123 8.561 10.494 -4.695 1.00 0.00 N ATOM 0 H ARG A 123 10.426 5.992 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 123 12.888 7.154 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.972 7.999 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.288 8.862 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.544 6.180 -2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.826 6.525 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.076 7.962 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.659 7.201 -5.125 1.00 0.00 H new ATOM 0 HE ARG A 123 10.767 9.848 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.836 7.374 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.513 8.494 -5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.064 11.250 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 123 7.641 10.667 -5.101 1.00 0.00 H new ATOM 1007 N ASN A 124 12.751 7.907 1.481 1.00 0.00 N ATOM 1008 CA ASN A 124 12.977 8.757 2.642 1.00 0.00 C ATOM 1009 C ASN A 124 14.463 8.886 2.962 1.00 0.00 C ATOM 1010 O ASN A 124 14.915 9.925 3.443 1.00 0.00 O ATOM 1011 CB ASN A 124 12.253 8.180 3.860 1.00 0.00 C ATOM 1012 CG ASN A 124 12.787 6.813 4.249 1.00 0.00 C ATOM 1013 OD1 ASN A 124 12.906 5.918 3.411 1.00 0.00 O ATOM 1014 ND2 ASN A 124 13.121 6.649 5.524 1.00 0.00 N ATOM 0 H ASN A 124 13.136 6.966 1.569 1.00 0.00 H new ATOM 0 HA ASN A 124 12.586 9.747 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.361 8.864 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.187 8.104 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 124 13.493 5.754 5.843 1.00 0.00 H new ATOM 0 HD22 ASN A 124 13.006 7.418 6.184 1.00 0.00 H new ATOM 1021 N ARG A 125 15.221 7.826 2.698 1.00 0.00 N ATOM 1022 CA ARG A 125 16.648 7.828 2.985 1.00 0.00 C ATOM 1023 C ARG A 125 17.462 7.275 1.825 1.00 0.00 C ATOM 1024 O ARG A 125 16.920 6.870 0.795 1.00 0.00 O ATOM 1025 CB ARG A 125 16.920 6.998 4.240 1.00 0.00 C ATOM 1026 CG ARG A 125 17.248 7.827 5.470 1.00 0.00 C ATOM 1027 CD ARG A 125 16.572 7.275 6.719 1.00 0.00 C ATOM 1028 NE ARG A 125 16.446 5.818 6.685 1.00 0.00 N ATOM 1029 CZ ARG A 125 17.448 4.983 6.934 1.00 0.00 C ATOM 1030 NH1 ARG A 125 18.650 5.456 7.235 1.00 0.00 N ATOM 1031 NH2 ARG A 125 17.250 3.674 6.881 1.00 0.00 N ATOM 0 H ARG A 125 14.872 6.960 2.288 1.00 0.00 H new ATOM 0 HA ARG A 125 16.953 8.862 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 125 16.046 6.382 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.749 6.318 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.328 7.846 5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 125 16.930 8.857 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.145 7.567 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 125 15.582 7.721 6.821 1.00 0.00 H new ATOM 0 HE ARG A 125 15.535 5.420 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.806 6.463 7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 125 19.418 4.813 7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.327 3.307 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 125 18.020 3.034 7.072 1.00 0.00 H new ATOM 1045 N ARG A 126 18.774 7.270 2.011 1.00 0.00 N ATOM 1046 CA ARG A 126 19.698 6.760 1.011 1.00 0.00 C ATOM 1047 C ARG A 126 20.498 5.595 1.585 1.00 0.00 C ATOM 1048 O ARG A 126 21.589 5.280 1.109 1.00 0.00 O ATOM 1049 CB ARG A 126 20.636 7.876 0.552 1.00 0.00 C ATOM 1050 CG ARG A 126 19.906 9.042 -0.097 1.00 0.00 C ATOM 1051 CD ARG A 126 20.452 9.340 -1.483 1.00 0.00 C ATOM 1052 NE ARG A 126 20.680 8.122 -2.254 1.00 0.00 N ATOM 1053 CZ ARG A 126 21.222 8.110 -3.466 1.00 0.00 C ATOM 1054 NH1 ARG A 126 21.523 9.251 -4.071 1.00 0.00 N ATOM 1055 NH2 ARG A 126 21.450 6.958 -4.080 1.00 0.00 N ATOM 0 H ARG A 126 19.226 7.618 2.857 1.00 0.00 H new ATOM 0 HA ARG A 126 19.132 6.403 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 126 21.202 8.242 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 126 21.357 7.468 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 126 18.842 8.814 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 126 20.002 9.928 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 126 19.752 9.982 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.387 9.893 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 126 20.408 7.231 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 126 21.338 10.139 -3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 126 21.939 9.240 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 126 21.209 6.079 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 126 21.866 6.950 -5.011 1.00 0.00 H new ATOM 1069 N LYS A 127 19.940 4.954 2.613 1.00 0.00 N ATOM 1070 CA LYS A 127 20.596 3.830 3.260 1.00 0.00 C ATOM 1071 C LYS A 127 19.584 2.821 3.779 1.00 0.00 C ATOM 1072 O LYS A 127 18.874 3.079 4.751 1.00 0.00 O ATOM 1073 CB LYS A 127 21.470 4.313 4.417 1.00 0.00 C ATOM 1074 CG LYS A 127 22.918 4.523 4.025 1.00 0.00 C ATOM 1075 CD LYS A 127 23.586 3.211 3.650 1.00 0.00 C ATOM 1076 CE LYS A 127 24.582 3.400 2.517 1.00 0.00 C ATOM 1077 NZ LYS A 127 25.356 4.663 2.662 1.00 0.00 N ATOM 0 H LYS A 127 19.034 5.199 3.012 1.00 0.00 H new ATOM 0 HA LYS A 127 21.221 3.342 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 127 21.066 5.249 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 127 21.422 3.586 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 127 22.972 5.214 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.457 4.984 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 127 24.097 2.799 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.828 2.487 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 127 25.269 2.554 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 127 24.051 3.407 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 26.293 4.548 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 24.847 5.438 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 25.470 4.886 3.671 1.00 0.00 H new ATOM 1091 N ARG A 128 19.515 1.674 3.119 1.00 0.00 N ATOM 1092 CA ARG A 128 18.615 0.618 3.540 1.00 0.00 C ATOM 1093 C ARG A 128 19.224 -0.108 4.731 1.00 0.00 C ATOM 1094 O ARG A 128 20.378 0.130 5.082 1.00 0.00 O ATOM 1095 CB ARG A 128 18.362 -0.366 2.393 1.00 0.00 C ATOM 1096 CG ARG A 128 19.588 -1.178 2.007 1.00 0.00 C ATOM 1097 CD ARG A 128 19.251 -2.236 0.967 1.00 0.00 C ATOM 1098 NE ARG A 128 19.065 -1.659 -0.366 1.00 0.00 N ATOM 1099 CZ ARG A 128 19.951 -1.742 -1.364 1.00 0.00 C ATOM 1100 NH1 ARG A 128 21.126 -2.343 -1.196 1.00 0.00 N ATOM 1101 NH2 ARG A 128 19.662 -1.207 -2.542 1.00 0.00 N ATOM 0 H ARG A 128 20.071 1.454 2.293 1.00 0.00 H new ATOM 0 HA ARG A 128 17.658 1.055 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 128 17.561 -1.047 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 128 18.013 0.187 1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 128 20.358 -0.513 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 128 20.002 -1.657 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 128 20.050 -2.977 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.343 -2.760 1.265 1.00 0.00 H new ATOM 0 HE ARG A 128 18.196 -1.157 -0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 128 21.365 -2.752 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 128 21.787 -2.395 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.768 -0.736 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 128 20.333 -1.267 -3.308 1.00 0.00 H new ATOM 1115 N LYS A 129 18.449 -0.972 5.363 1.00 0.00 N ATOM 1116 CA LYS A 129 18.943 -1.726 6.512 1.00 0.00 C ATOM 1117 C LYS A 129 18.789 -3.232 6.302 1.00 0.00 C ATOM 1118 O LYS A 129 19.465 -4.028 6.953 1.00 0.00 O ATOM 1119 CB LYS A 129 18.204 -1.297 7.778 1.00 0.00 C ATOM 1120 CG LYS A 129 18.600 -2.083 9.018 1.00 0.00 C ATOM 1121 CD LYS A 129 17.686 -1.758 10.188 1.00 0.00 C ATOM 1122 CE LYS A 129 17.829 -2.771 11.313 1.00 0.00 C ATOM 1123 NZ LYS A 129 18.826 -2.339 12.331 1.00 0.00 N ATOM 0 H LYS A 129 17.482 -1.171 5.106 1.00 0.00 H new ATOM 0 HA LYS A 129 20.006 -1.509 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 129 18.392 -0.238 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 129 17.132 -1.408 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 129 18.556 -3.151 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 129 19.632 -1.853 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.917 -0.761 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.651 -1.738 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.862 -2.918 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 129 18.129 -3.733 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.892 -3.058 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 19.756 -2.223 11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 18.528 -1.433 12.746 1.00 0.00 H new ATOM 1137 N GLY A 130 17.904 -3.617 5.387 1.00 0.00 N ATOM 1138 CA GLY A 130 17.677 -5.021 5.120 1.00 0.00 C ATOM 1139 C GLY A 130 16.214 -5.388 5.243 1.00 0.00 C ATOM 1140 O GLY A 130 15.588 -5.126 6.269 1.00 0.00 O ATOM 0 H GLY A 130 17.340 -2.978 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 130 18.029 -5.262 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 130 18.262 -5.622 5.816 1.00 0.00 H new ATOM 1144 N SER A 131 15.664 -5.984 4.193 1.00 0.00 N ATOM 1145 CA SER A 131 14.265 -6.385 4.197 1.00 0.00 C ATOM 1146 C SER A 131 13.967 -7.302 5.379 1.00 0.00 C ATOM 1147 O SER A 131 14.030 -8.537 5.202 1.00 0.00 O ATOM 1148 CB SER A 131 13.909 -7.081 2.882 1.00 0.00 C ATOM 1149 OG SER A 131 15.067 -7.603 2.251 1.00 0.00 O ATOM 1150 OXT SER A 131 13.678 -6.776 6.475 1.00 0.00 O ATOM 0 H SER A 131 16.164 -6.200 3.331 1.00 0.00 H new ATOM 0 HA SER A 131 13.653 -5.489 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 131 13.201 -7.887 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 131 13.415 -6.374 2.215 1.00 0.00 H new ATOM 0 HG SER A 131 15.487 -8.268 2.836 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.096 -5.502 2.118 1.00 0.00 ZN