USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -51:sc= -3! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.834! C(o=-3.8!,f=-17!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -125:sc= -1.51! (180deg=-0.358) USER MOD Set 2.2: A 90 ASN : amide:sc= -2.08! C(o=-3.6!,f=-20!) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 MET CE :methyl 146:sc= -0.284 (180deg=-1.21) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -0.0819 (180deg=-0.578) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc=-0.00686 K(o=-0.0069,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.022 (180deg=-0.304) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -8.37! C(o=-8.4!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -139:sc= -0.734 (180deg=-4.49!) USER MOD Single : A 52 THR OG1 : rot 91:sc= 1.31 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.123 USER MOD Single : A 66 MET CE :methyl 148:sc= -0.265 (180deg=-2.43!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc=-0.000613 K(o=-0.00061,f=-1.4!) USER MOD Single : A 94 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 99 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 110 THR OG1 : rot 77:sc= 0.154 USER MOD Single : A 114 SER OG : rot 96:sc= 0.305 USER MOD Single : A 116 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.95) USER MOD Single : A 119 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3!) USER MOD Single : A 123 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -16.225 9.286 -6.948 1.00 0.00 N ATOM 2 CA ALA A 2 -15.046 8.427 -7.252 1.00 0.00 C ATOM 3 C ALA A 2 -14.700 7.589 -6.026 1.00 0.00 C ATOM 4 O ALA A 2 -13.802 7.937 -5.258 1.00 0.00 O ATOM 5 CB ALA A 2 -13.857 9.313 -7.631 1.00 0.00 C ATOM 0 HA ALA A 2 -15.279 7.763 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.993 8.687 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.111 9.907 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.619 9.977 -6.800 1.00 0.00 H new ATOM 13 N SER A 3 -15.417 6.485 -5.848 1.00 0.00 N ATOM 14 CA SER A 3 -15.176 5.602 -4.711 1.00 0.00 C ATOM 15 C SER A 3 -14.782 4.209 -5.191 1.00 0.00 C ATOM 16 O SER A 3 -15.231 3.753 -6.242 1.00 0.00 O ATOM 17 CB SER A 3 -16.433 5.510 -3.847 1.00 0.00 C ATOM 18 OG SER A 3 -16.796 6.812 -3.405 1.00 0.00 O ATOM 0 H SER A 3 -16.165 6.181 -6.471 1.00 0.00 H new ATOM 0 HA SER A 3 -14.359 6.015 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.249 5.067 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.253 4.860 -2.991 1.00 0.00 H new ATOM 0 HG SER A 3 -17.603 6.757 -2.852 1.00 0.00 H new ATOM 24 N LEU A 4 -13.938 3.538 -4.413 1.00 0.00 N ATOM 25 CA LEU A 4 -13.489 2.197 -4.771 1.00 0.00 C ATOM 26 C LEU A 4 -14.681 1.264 -4.958 1.00 0.00 C ATOM 27 O LEU A 4 -14.690 0.428 -5.862 1.00 0.00 O ATOM 28 CB LEU A 4 -12.573 1.647 -3.675 1.00 0.00 C ATOM 29 CG LEU A 4 -12.015 0.288 -4.106 1.00 0.00 C ATOM 30 CD1 LEU A 4 -11.094 0.467 -5.315 1.00 0.00 C ATOM 31 CD2 LEU A 4 -11.220 -0.324 -2.949 1.00 0.00 C ATOM 0 H LEU A 4 -13.554 3.897 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.939 2.255 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.756 2.344 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.127 1.545 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.840 -0.372 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.699 -0.503 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.657 0.904 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.269 1.128 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.822 -1.292 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.397 0.339 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.874 -0.456 -2.087 1.00 0.00 H new ATOM 43 N TYR A 5 -15.684 1.410 -4.099 1.00 0.00 N ATOM 44 CA TYR A 5 -16.874 0.571 -4.183 1.00 0.00 C ATOM 45 C TYR A 5 -17.559 0.739 -5.535 1.00 0.00 C ATOM 46 O TYR A 5 -17.986 -0.238 -6.151 1.00 0.00 O ATOM 47 CB TYR A 5 -17.852 0.939 -3.068 1.00 0.00 C ATOM 48 CG TYR A 5 -19.068 0.050 -3.153 1.00 0.00 C ATOM 49 CD1 TYR A 5 -19.056 -1.213 -2.550 1.00 0.00 C ATOM 50 CD2 TYR A 5 -20.209 0.488 -3.837 1.00 0.00 C ATOM 51 CE1 TYR A 5 -20.185 -2.037 -2.631 1.00 0.00 C ATOM 52 CE2 TYR A 5 -21.337 -0.335 -3.917 1.00 0.00 C ATOM 53 CZ TYR A 5 -21.325 -1.599 -3.315 1.00 0.00 C ATOM 54 OH TYR A 5 -22.438 -2.411 -3.394 1.00 0.00 O ATOM 0 H TYR A 5 -15.698 2.095 -3.343 1.00 0.00 H new ATOM 0 HA TYR A 5 -16.567 -0.469 -4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -17.372 0.825 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -18.146 1.985 -3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -18.176 -1.552 -2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -20.218 1.462 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -20.176 -3.011 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -22.217 0.004 -4.443 1.00 0.00 H new ATOM 0 HH TYR A 5 -23.140 -1.955 -3.903 1.00 0.00 H new ATOM 64 N GLU A 6 -17.665 1.983 -5.989 1.00 0.00 N ATOM 65 CA GLU A 6 -18.304 2.266 -7.268 1.00 0.00 C ATOM 66 C GLU A 6 -17.538 1.613 -8.414 1.00 0.00 C ATOM 67 O GLU A 6 -18.136 1.120 -9.369 1.00 0.00 O ATOM 68 CB GLU A 6 -18.369 3.777 -7.493 1.00 0.00 C ATOM 69 CG GLU A 6 -19.157 4.071 -8.770 1.00 0.00 C ATOM 70 CD GLU A 6 -19.142 5.568 -9.060 1.00 0.00 C ATOM 71 OE1 GLU A 6 -18.522 6.292 -8.299 1.00 0.00 O ATOM 72 OE2 GLU A 6 -19.749 5.968 -10.040 1.00 0.00 O ATOM 0 H GLU A 6 -17.320 2.806 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.313 1.855 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.844 4.262 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.362 4.187 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.723 3.526 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.184 3.724 -8.661 1.00 0.00 H new ATOM 79 N LYS A 7 -16.213 1.621 -8.316 1.00 0.00 N ATOM 80 CA LYS A 7 -15.379 1.033 -9.357 1.00 0.00 C ATOM 81 C LYS A 7 -15.641 -0.465 -9.488 1.00 0.00 C ATOM 82 O LYS A 7 -15.876 -0.968 -10.587 1.00 0.00 O ATOM 83 CB LYS A 7 -13.903 1.267 -9.031 1.00 0.00 C ATOM 84 CG LYS A 7 -13.609 2.770 -9.045 1.00 0.00 C ATOM 85 CD LYS A 7 -12.144 3.014 -8.677 1.00 0.00 C ATOM 86 CE LYS A 7 -11.273 2.912 -9.932 1.00 0.00 C ATOM 87 NZ LYS A 7 -11.539 4.081 -10.817 1.00 0.00 N ATOM 0 H LYS A 7 -15.697 2.024 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.628 1.511 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.665 0.848 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.273 0.756 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.819 3.182 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.261 3.284 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.032 3.999 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.819 2.284 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.219 2.884 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.488 1.984 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.697 4.278 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.344 3.868 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.762 4.913 -10.235 1.00 0.00 H new ATOM 101 N LEU A 8 -15.601 -1.174 -8.363 1.00 0.00 N ATOM 102 CA LEU A 8 -15.836 -2.615 -8.372 1.00 0.00 C ATOM 103 C LEU A 8 -17.309 -2.921 -8.622 1.00 0.00 C ATOM 104 O LEU A 8 -17.644 -3.843 -9.365 1.00 0.00 O ATOM 105 CB LEU A 8 -15.401 -3.222 -7.037 1.00 0.00 C ATOM 106 CG LEU A 8 -13.923 -2.914 -6.789 1.00 0.00 C ATOM 107 CD1 LEU A 8 -13.483 -3.552 -5.472 1.00 0.00 C ATOM 108 CD2 LEU A 8 -13.080 -3.486 -7.932 1.00 0.00 C ATOM 0 H LEU A 8 -15.410 -0.779 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.249 -3.054 -9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.008 -2.817 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.561 -4.300 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.784 -1.834 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.430 -3.333 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.080 -3.148 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.625 -4.631 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.028 -3.266 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.221 -4.566 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.390 -3.035 -8.874 1.00 0.00 H new ATOM 120 N GLY A 9 -18.184 -2.138 -8.000 1.00 0.00 N ATOM 121 CA GLY A 9 -19.621 -2.331 -8.165 1.00 0.00 C ATOM 122 C GLY A 9 -20.117 -3.527 -7.356 1.00 0.00 C ATOM 123 O GLY A 9 -21.203 -4.049 -7.612 1.00 0.00 O ATOM 0 H GLY A 9 -17.927 -1.369 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.149 -1.431 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.851 -2.482 -9.220 1.00 0.00 H new ATOM 127 N GLY A 10 -19.322 -3.961 -6.382 1.00 0.00 N ATOM 128 CA GLY A 10 -19.706 -5.099 -5.551 1.00 0.00 C ATOM 129 C GLY A 10 -18.735 -5.290 -4.390 1.00 0.00 C ATOM 130 O GLY A 10 -17.554 -5.572 -4.595 1.00 0.00 O ATOM 0 H GLY A 10 -18.419 -3.548 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.713 -4.946 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.732 -6.003 -6.159 1.00 0.00 H new ATOM 134 N ALA A 11 -19.243 -5.140 -3.170 1.00 0.00 N ATOM 135 CA ALA A 11 -18.413 -5.302 -1.979 1.00 0.00 C ATOM 136 C ALA A 11 -17.955 -6.749 -1.830 1.00 0.00 C ATOM 137 O ALA A 11 -16.842 -7.014 -1.378 1.00 0.00 O ATOM 138 CB ALA A 11 -19.201 -4.887 -0.735 1.00 0.00 C ATOM 0 H ALA A 11 -20.218 -4.908 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.534 -4.666 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.576 -5.010 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.500 -3.843 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -20.089 -5.512 -0.642 1.00 0.00 H new ATOM 144 N ALA A 12 -18.824 -7.683 -2.203 1.00 0.00 N ATOM 145 CA ALA A 12 -18.499 -9.101 -2.097 1.00 0.00 C ATOM 146 C ALA A 12 -17.302 -9.449 -2.976 1.00 0.00 C ATOM 147 O ALA A 12 -16.494 -10.309 -2.627 1.00 0.00 O ATOM 148 CB ALA A 12 -19.702 -9.946 -2.516 1.00 0.00 C ATOM 0 H ALA A 12 -19.752 -7.486 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 12 -18.246 -9.316 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.450 -11.003 -2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.548 -9.723 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.967 -9.715 -3.548 1.00 0.00 H new ATOM 154 N ALA A 13 -17.196 -8.779 -4.118 1.00 0.00 N ATOM 155 CA ALA A 13 -16.095 -9.031 -5.040 1.00 0.00 C ATOM 156 C ALA A 13 -14.755 -8.696 -4.391 1.00 0.00 C ATOM 157 O ALA A 13 -13.731 -9.292 -4.722 1.00 0.00 O ATOM 158 CB ALA A 13 -16.274 -8.192 -6.306 1.00 0.00 C ATOM 0 H ALA A 13 -17.854 -8.063 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.102 -10.090 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.448 -8.385 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.215 -8.458 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.287 -7.134 -6.043 1.00 0.00 H new ATOM 164 N VAL A 14 -14.767 -7.735 -3.473 1.00 0.00 N ATOM 165 CA VAL A 14 -13.542 -7.328 -2.793 1.00 0.00 C ATOM 166 C VAL A 14 -12.930 -8.498 -2.028 1.00 0.00 C ATOM 167 O VAL A 14 -11.717 -8.710 -2.070 1.00 0.00 O ATOM 168 CB VAL A 14 -13.839 -6.186 -1.820 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.577 -5.851 -1.025 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.291 -4.953 -2.604 1.00 0.00 C ATOM 0 H VAL A 14 -15.603 -7.227 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.831 -6.992 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.629 -6.490 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.789 -5.037 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.255 -6.730 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.785 -5.547 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.503 -4.139 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.501 -4.649 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.192 -5.192 -3.170 1.00 0.00 H new ATOM 180 N ASP A 15 -13.771 -9.251 -1.327 1.00 0.00 N ATOM 181 CA ASP A 15 -13.290 -10.391 -0.554 1.00 0.00 C ATOM 182 C ASP A 15 -12.629 -11.422 -1.465 1.00 0.00 C ATOM 183 O ASP A 15 -11.573 -11.965 -1.140 1.00 0.00 O ATOM 184 CB ASP A 15 -14.454 -11.043 0.194 1.00 0.00 C ATOM 185 CG ASP A 15 -14.987 -10.091 1.259 1.00 0.00 C ATOM 186 OD1 ASP A 15 -14.323 -9.104 1.529 1.00 0.00 O ATOM 187 OD2 ASP A 15 -16.053 -10.362 1.788 1.00 0.00 O ATOM 0 H ASP A 15 -14.778 -9.096 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.551 -10.031 0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.249 -11.300 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.124 -11.973 0.658 1.00 0.00 H new ATOM 192 N LEU A 16 -13.258 -11.687 -2.606 1.00 0.00 N ATOM 193 CA LEU A 16 -12.719 -12.654 -3.557 1.00 0.00 C ATOM 194 C LEU A 16 -11.433 -12.136 -4.189 1.00 0.00 C ATOM 195 O LEU A 16 -10.500 -12.901 -4.432 1.00 0.00 O ATOM 196 CB LEU A 16 -13.749 -12.948 -4.650 1.00 0.00 C ATOM 197 CG LEU A 16 -14.822 -13.901 -4.113 1.00 0.00 C ATOM 198 CD1 LEU A 16 -14.248 -15.316 -3.988 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.296 -13.424 -2.738 1.00 0.00 C ATOM 0 H LEU A 16 -14.134 -11.250 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.494 -13.573 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.210 -12.019 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.257 -13.391 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.664 -13.912 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.016 -15.988 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.918 -15.662 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.401 -15.306 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.059 -14.105 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.452 -13.406 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.715 -12.422 -2.825 1.00 0.00 H new ATOM 211 N ALA A 17 -11.387 -10.836 -4.460 1.00 0.00 N ATOM 212 CA ALA A 17 -10.205 -10.240 -5.071 1.00 0.00 C ATOM 213 C ALA A 17 -8.983 -10.447 -4.181 1.00 0.00 C ATOM 214 O ALA A 17 -7.905 -10.796 -4.662 1.00 0.00 O ATOM 215 CB ALA A 17 -10.430 -8.743 -5.293 1.00 0.00 C ATOM 0 H ALA A 17 -12.145 -10.181 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.029 -10.726 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.542 -8.305 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.286 -8.598 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.622 -8.258 -4.336 1.00 0.00 H new ATOM 221 N VAL A 18 -9.163 -10.235 -2.882 1.00 0.00 N ATOM 222 CA VAL A 18 -8.070 -10.407 -1.934 1.00 0.00 C ATOM 223 C VAL A 18 -7.698 -11.881 -1.801 1.00 0.00 C ATOM 224 O VAL A 18 -6.521 -12.229 -1.714 1.00 0.00 O ATOM 225 CB VAL A 18 -8.474 -9.854 -0.566 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.390 -10.187 0.460 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.636 -8.336 -0.659 1.00 0.00 C ATOM 0 H VAL A 18 -10.048 -9.946 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.204 -9.860 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.418 -10.304 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.678 -9.793 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.272 -11.269 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.446 -9.737 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.924 -7.940 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.692 -7.888 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.408 -8.097 -1.390 1.00 0.00 H new ATOM 237 N GLU A 19 -8.711 -12.744 -1.774 1.00 0.00 N ATOM 238 CA GLU A 19 -8.478 -14.178 -1.640 1.00 0.00 C ATOM 239 C GLU A 19 -7.676 -14.719 -2.821 1.00 0.00 C ATOM 240 O GLU A 19 -6.716 -15.468 -2.636 1.00 0.00 O ATOM 241 CB GLU A 19 -9.816 -14.914 -1.551 1.00 0.00 C ATOM 242 CG GLU A 19 -9.568 -16.398 -1.276 1.00 0.00 C ATOM 243 CD GLU A 19 -10.889 -17.157 -1.278 1.00 0.00 C ATOM 244 OE1 GLU A 19 -11.907 -16.535 -1.537 1.00 0.00 O ATOM 245 OE2 GLU A 19 -10.865 -18.350 -1.023 1.00 0.00 O ATOM 0 H GLU A 19 -9.693 -12.477 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.903 -14.344 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.427 -14.484 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.371 -14.794 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.901 -16.810 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.071 -16.520 -0.314 1.00 0.00 H new ATOM 252 N LYS A 20 -8.070 -14.337 -4.032 1.00 0.00 N ATOM 253 CA LYS A 20 -7.367 -14.797 -5.225 1.00 0.00 C ATOM 254 C LYS A 20 -5.927 -14.301 -5.225 1.00 0.00 C ATOM 255 O LYS A 20 -5.007 -15.034 -5.589 1.00 0.00 O ATOM 256 CB LYS A 20 -8.083 -14.301 -6.484 1.00 0.00 C ATOM 257 CG LYS A 20 -9.445 -14.989 -6.603 1.00 0.00 C ATOM 258 CD LYS A 20 -10.117 -14.571 -7.912 1.00 0.00 C ATOM 259 CE LYS A 20 -11.526 -15.162 -7.976 1.00 0.00 C ATOM 260 NZ LYS A 20 -11.911 -15.378 -9.399 1.00 0.00 N ATOM 0 H LYS A 20 -8.861 -13.719 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.362 -15.887 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.213 -13.220 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.479 -14.513 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.321 -16.072 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.076 -14.719 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.164 -13.484 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.528 -14.916 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.561 -16.106 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.236 -14.490 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.869 -15.780 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.893 -14.470 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.239 -16.035 -9.844 1.00 0.00 H new ATOM 274 N PHE A 21 -5.736 -13.052 -4.812 1.00 0.00 N ATOM 275 CA PHE A 21 -4.400 -12.469 -4.768 1.00 0.00 C ATOM 276 C PHE A 21 -3.524 -13.217 -3.768 1.00 0.00 C ATOM 277 O PHE A 21 -2.378 -13.557 -4.063 1.00 0.00 O ATOM 278 CB PHE A 21 -4.485 -10.995 -4.372 1.00 0.00 C ATOM 279 CG PHE A 21 -3.119 -10.362 -4.489 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.704 -9.819 -5.710 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.269 -10.319 -3.378 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.438 -9.232 -5.821 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.002 -9.732 -3.489 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.587 -9.188 -4.710 1.00 0.00 C ATOM 0 H PHE A 21 -6.483 -12.429 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.955 -12.552 -5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.195 -10.475 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.854 -10.903 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.360 -9.853 -6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.590 -10.738 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.118 -8.813 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.345 -9.699 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.389 -8.734 -4.795 1.00 0.00 H new ATOM 294 N TYR A 22 -4.073 -13.468 -2.583 1.00 0.00 N ATOM 295 CA TYR A 22 -3.334 -14.173 -1.543 1.00 0.00 C ATOM 296 C TYR A 22 -2.941 -15.571 -2.009 1.00 0.00 C ATOM 297 O TYR A 22 -1.821 -16.023 -1.768 1.00 0.00 O ATOM 298 CB TYR A 22 -4.185 -14.279 -0.276 1.00 0.00 C ATOM 299 CG TYR A 22 -3.378 -14.939 0.817 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.518 -14.173 1.612 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.490 -16.317 1.034 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.770 -14.784 2.625 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.742 -16.929 2.046 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.882 -16.163 2.842 1.00 0.00 C ATOM 305 OH TYR A 22 -1.145 -16.766 3.840 1.00 0.00 O ATOM 0 H TYR A 22 -5.020 -13.196 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.427 -13.608 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.507 -13.288 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.086 -14.858 -0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.431 -13.110 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.154 -16.908 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.107 -14.192 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.828 -17.993 2.213 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.341 -17.726 3.857 1.00 0.00 H new ATOM 315 N GLY A 23 -3.868 -16.253 -2.674 1.00 0.00 N ATOM 316 CA GLY A 23 -3.601 -17.600 -3.162 1.00 0.00 C ATOM 317 C GLY A 23 -2.394 -17.613 -4.093 1.00 0.00 C ATOM 318 O GLY A 23 -1.505 -18.453 -3.961 1.00 0.00 O ATOM 0 H GLY A 23 -4.801 -15.899 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.422 -18.267 -2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.476 -17.980 -3.689 1.00 0.00 H new ATOM 322 N LYS A 24 -2.367 -16.672 -5.031 1.00 0.00 N ATOM 323 CA LYS A 24 -1.258 -16.583 -5.973 1.00 0.00 C ATOM 324 C LYS A 24 0.046 -16.297 -5.237 1.00 0.00 C ATOM 325 O LYS A 24 1.095 -16.846 -5.574 1.00 0.00 O ATOM 326 CB LYS A 24 -1.525 -15.479 -6.998 1.00 0.00 C ATOM 327 CG LYS A 24 -0.439 -15.510 -8.074 1.00 0.00 C ATOM 328 CD LYS A 24 -0.678 -14.378 -9.074 1.00 0.00 C ATOM 329 CE LYS A 24 0.323 -14.492 -10.224 1.00 0.00 C ATOM 330 NZ LYS A 24 1.706 -14.306 -9.699 1.00 0.00 N ATOM 0 H LYS A 24 -3.093 -15.967 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.168 -17.538 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.506 -15.619 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.537 -14.506 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.544 -15.403 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.449 -16.471 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.697 -14.428 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.571 -13.413 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.233 -15.467 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.107 -13.741 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.177 -13.541 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.664 -14.058 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.244 -15.188 -9.817 1.00 0.00 H new ATOM 344 N VAL A 25 -0.028 -15.432 -4.229 1.00 0.00 N ATOM 345 CA VAL A 25 1.153 -15.079 -3.450 1.00 0.00 C ATOM 346 C VAL A 25 1.713 -16.309 -2.746 1.00 0.00 C ATOM 347 O VAL A 25 2.927 -16.500 -2.678 1.00 0.00 O ATOM 348 CB VAL A 25 0.796 -14.011 -2.414 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.002 -13.755 -1.509 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.414 -12.714 -3.130 1.00 0.00 C ATOM 0 H VAL A 25 -0.886 -14.966 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 25 1.910 -14.685 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.044 -14.356 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.748 -12.994 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.277 -14.678 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.842 -13.410 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.160 -11.953 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.255 -12.369 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.445 -12.895 -3.776 1.00 0.00 H new ATOM 360 N LEU A 26 0.819 -17.142 -2.224 1.00 0.00 N ATOM 361 CA LEU A 26 1.233 -18.354 -1.526 1.00 0.00 C ATOM 362 C LEU A 26 2.047 -19.252 -2.451 1.00 0.00 C ATOM 363 O LEU A 26 2.997 -19.905 -2.020 1.00 0.00 O ATOM 364 CB LEU A 26 0.003 -19.115 -1.025 1.00 0.00 C ATOM 365 CG LEU A 26 0.448 -20.320 -0.191 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.132 -19.837 1.091 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.775 -21.163 0.174 1.00 0.00 C ATOM 0 H LEU A 26 -0.190 -17.002 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 26 1.853 -18.068 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.625 -18.457 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.600 -19.448 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 26 1.149 -20.921 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.447 -20.697 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.003 -19.235 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.433 -19.235 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.461 -22.022 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.474 -20.559 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.262 -21.511 -0.737 1.00 0.00 H new ATOM 379 N ALA A 27 1.667 -19.283 -3.724 1.00 0.00 N ATOM 380 CA ALA A 27 2.368 -20.112 -4.696 1.00 0.00 C ATOM 381 C ALA A 27 3.833 -19.701 -4.795 1.00 0.00 C ATOM 382 O ALA A 27 4.719 -20.551 -4.880 1.00 0.00 O ATOM 383 CB ALA A 27 1.705 -19.979 -6.069 1.00 0.00 C ATOM 0 H ALA A 27 0.885 -18.749 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 27 2.316 -21.149 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.234 -20.601 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.666 -20.302 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.742 -18.938 -6.392 1.00 0.00 H new ATOM 389 N ASP A 28 4.083 -18.395 -4.782 1.00 0.00 N ATOM 390 CA ASP A 28 5.450 -17.896 -4.868 1.00 0.00 C ATOM 391 C ASP A 28 6.037 -17.699 -3.472 1.00 0.00 C ATOM 392 O ASP A 28 5.746 -16.711 -2.800 1.00 0.00 O ATOM 393 CB ASP A 28 5.475 -16.567 -5.626 1.00 0.00 C ATOM 394 CG ASP A 28 6.916 -16.123 -5.851 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.808 -16.900 -5.551 1.00 0.00 O ATOM 396 OD2 ASP A 28 7.107 -15.014 -6.321 1.00 0.00 O ATOM 0 H ASP A 28 3.367 -17.672 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 28 6.052 -18.630 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.965 -16.675 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.935 -15.807 -5.062 1.00 0.00 H new ATOM 401 N GLU A 29 6.867 -18.645 -3.048 1.00 0.00 N ATOM 402 CA GLU A 29 7.495 -18.566 -1.732 1.00 0.00 C ATOM 403 C GLU A 29 8.598 -17.512 -1.717 1.00 0.00 C ATOM 404 O GLU A 29 8.986 -17.022 -0.657 1.00 0.00 O ATOM 405 CB GLU A 29 8.079 -19.926 -1.348 1.00 0.00 C ATOM 406 CG GLU A 29 6.945 -20.942 -1.191 1.00 0.00 C ATOM 407 CD GLU A 29 7.505 -22.283 -0.729 1.00 0.00 C ATOM 408 OE1 GLU A 29 8.716 -22.433 -0.744 1.00 0.00 O ATOM 409 OE2 GLU A 29 6.715 -23.140 -0.368 1.00 0.00 O ATOM 0 H GLU A 29 7.120 -19.471 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 29 6.732 -18.280 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.779 -20.262 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.639 -19.843 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.215 -20.576 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.422 -21.065 -2.139 1.00 0.00 H new ATOM 416 N ARG A 30 9.112 -17.180 -2.897 1.00 0.00 N ATOM 417 CA ARG A 30 10.187 -16.198 -3.003 1.00 0.00 C ATOM 418 C ARG A 30 9.825 -14.903 -2.281 1.00 0.00 C ATOM 419 O ARG A 30 10.669 -14.298 -1.621 1.00 0.00 O ATOM 420 CB ARG A 30 10.464 -15.892 -4.477 1.00 0.00 C ATOM 421 CG ARG A 30 10.946 -17.160 -5.183 1.00 0.00 C ATOM 422 CD ARG A 30 11.339 -16.822 -6.623 1.00 0.00 C ATOM 423 NE ARG A 30 10.228 -16.173 -7.309 1.00 0.00 N ATOM 424 CZ ARG A 30 9.203 -16.877 -7.778 1.00 0.00 C ATOM 425 NH1 ARG A 30 9.181 -18.174 -7.635 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.220 -16.271 -8.386 1.00 0.00 N ATOM 0 H ARG A 30 8.805 -17.572 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 30 11.076 -16.620 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.560 -15.518 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.217 -15.108 -4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.798 -17.584 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.159 -17.914 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.210 -16.167 -6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.622 -17.731 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 30 10.238 -15.160 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.951 -18.648 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.394 -18.714 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.239 -15.258 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.433 -16.811 -8.746 1.00 0.00 H new ATOM 440 N VAL A 31 8.572 -14.479 -2.408 1.00 0.00 N ATOM 441 CA VAL A 31 8.131 -13.250 -1.756 1.00 0.00 C ATOM 442 C VAL A 31 7.869 -13.491 -0.272 1.00 0.00 C ATOM 443 O VAL A 31 8.042 -12.592 0.552 1.00 0.00 O ATOM 444 CB VAL A 31 6.859 -12.723 -2.426 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.113 -12.523 -3.922 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.724 -13.729 -2.233 1.00 0.00 C ATOM 0 H VAL A 31 7.853 -14.960 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 31 8.923 -12.508 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 31 6.581 -11.771 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.207 -12.148 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.920 -11.804 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.393 -13.475 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.819 -13.353 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.002 -14.682 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.540 -13.870 -1.168 1.00 0.00 H new ATOM 456 N ASN A 32 7.448 -14.707 0.059 1.00 0.00 N ATOM 457 CA ASN A 32 7.158 -15.060 1.445 1.00 0.00 C ATOM 458 C ASN A 32 8.387 -14.868 2.329 1.00 0.00 C ATOM 459 O ASN A 32 8.266 -14.554 3.514 1.00 0.00 O ATOM 460 CB ASN A 32 6.692 -16.515 1.525 1.00 0.00 C ATOM 461 CG ASN A 32 5.368 -16.678 0.784 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.693 -15.690 0.495 1.00 0.00 O ATOM 463 ND2 ASN A 32 4.953 -17.872 0.461 1.00 0.00 N ATOM 0 H ASN A 32 7.300 -15.462 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 32 6.368 -14.401 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.445 -17.172 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.574 -16.811 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.068 -17.988 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.514 -18.689 0.701 1.00 0.00 H new ATOM 470 N ARG A 33 9.568 -15.068 1.753 1.00 0.00 N ATOM 471 CA ARG A 33 10.807 -14.924 2.509 1.00 0.00 C ATOM 472 C ARG A 33 10.883 -13.551 3.173 1.00 0.00 C ATOM 473 O ARG A 33 11.339 -13.426 4.310 1.00 0.00 O ATOM 474 CB ARG A 33 12.008 -15.108 1.580 1.00 0.00 C ATOM 475 CG ARG A 33 12.016 -16.538 1.033 1.00 0.00 C ATOM 476 CD ARG A 33 13.263 -16.750 0.174 1.00 0.00 C ATOM 477 NE ARG A 33 14.457 -16.765 1.012 1.00 0.00 N ATOM 478 CZ ARG A 33 15.665 -16.931 0.483 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.798 -17.083 -0.806 1.00 0.00 N ATOM 480 NH2 ARG A 33 16.719 -16.943 1.254 1.00 0.00 N ATOM 0 H ARG A 33 9.693 -15.328 0.775 1.00 0.00 H new ATOM 0 HA ARG A 33 10.823 -15.689 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.959 -14.393 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.933 -14.909 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.002 -17.253 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.119 -16.717 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.182 -17.690 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.341 -15.956 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 33 14.363 -16.646 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.975 -17.074 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.725 -17.210 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.615 -16.825 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.646 -17.070 0.848 1.00 0.00 H new ATOM 494 N PHE A 34 10.435 -12.524 2.459 1.00 0.00 N ATOM 495 CA PHE A 34 10.457 -11.165 2.991 1.00 0.00 C ATOM 496 C PHE A 34 9.463 -11.004 4.140 1.00 0.00 C ATOM 497 O PHE A 34 9.676 -10.200 5.046 1.00 0.00 O ATOM 498 CB PHE A 34 10.125 -10.164 1.883 1.00 0.00 C ATOM 499 CG PHE A 34 11.260 -10.121 0.888 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.330 -9.240 1.085 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.243 -10.961 -0.231 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.383 -9.199 0.164 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.295 -10.921 -1.154 1.00 0.00 C ATOM 504 CZ PHE A 34 13.366 -10.039 -0.956 1.00 0.00 C ATOM 0 H PHE A 34 10.054 -12.605 1.516 1.00 0.00 H new ATOM 0 HA PHE A 34 11.459 -10.971 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.200 -10.452 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.963 -9.174 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.343 -8.591 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.418 -11.641 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.208 -8.520 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.281 -11.569 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.178 -10.007 -1.667 1.00 0.00 H new ATOM 514 N PHE A 35 8.371 -11.759 4.087 1.00 0.00 N ATOM 515 CA PHE A 35 7.346 -11.675 5.123 1.00 0.00 C ATOM 516 C PHE A 35 7.667 -12.587 6.303 1.00 0.00 C ATOM 517 O PHE A 35 6.866 -12.718 7.227 1.00 0.00 O ATOM 518 CB PHE A 35 5.981 -12.057 4.545 1.00 0.00 C ATOM 519 CG PHE A 35 5.544 -11.012 3.546 1.00 0.00 C ATOM 520 CD1 PHE A 35 4.946 -9.827 3.989 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.737 -11.228 2.177 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.540 -8.858 3.065 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.331 -10.259 1.251 1.00 0.00 C ATOM 524 CZ PHE A 35 4.733 -9.073 1.695 1.00 0.00 C ATOM 0 H PHE A 35 8.173 -12.431 3.345 1.00 0.00 H new ATOM 0 HA PHE A 35 7.322 -10.645 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.039 -13.033 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.246 -12.139 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.798 -9.660 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.199 -12.142 1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.078 -7.944 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.479 -10.426 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.421 -8.325 0.981 1.00 0.00 H new ATOM 534 N VAL A 36 8.836 -13.219 6.276 1.00 0.00 N ATOM 535 CA VAL A 36 9.220 -14.111 7.366 1.00 0.00 C ATOM 536 C VAL A 36 9.211 -13.362 8.695 1.00 0.00 C ATOM 537 O VAL A 36 8.677 -13.851 9.690 1.00 0.00 O ATOM 538 CB VAL A 36 10.615 -14.684 7.111 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.115 -15.389 8.374 1.00 0.00 C ATOM 540 CG2 VAL A 36 10.547 -15.689 5.962 1.00 0.00 C ATOM 0 H VAL A 36 9.523 -13.134 5.527 1.00 0.00 H new ATOM 0 HA VAL A 36 8.499 -14.927 7.413 1.00 0.00 H new ATOM 0 HB VAL A 36 11.299 -13.876 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.109 -15.798 8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.160 -14.674 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.432 -16.198 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.540 -16.099 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.864 -16.497 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.188 -15.189 5.062 1.00 0.00 H new ATOM 550 N ASN A 37 9.799 -12.169 8.703 1.00 0.00 N ATOM 551 CA ASN A 37 9.844 -11.359 9.915 1.00 0.00 C ATOM 552 C ASN A 37 8.434 -10.987 10.362 1.00 0.00 C ATOM 553 O ASN A 37 8.153 -10.897 11.557 1.00 0.00 O ATOM 554 CB ASN A 37 10.659 -10.088 9.665 1.00 0.00 C ATOM 555 CG ASN A 37 12.115 -10.450 9.393 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.543 -11.566 9.685 1.00 0.00 O ATOM 557 ND2 ASN A 37 12.906 -9.567 8.847 1.00 0.00 N ATOM 0 H ASN A 37 10.247 -11.745 7.891 1.00 0.00 H new ATOM 0 HA ASN A 37 10.319 -11.943 10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.246 -9.542 8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.595 -9.428 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.881 -9.801 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.549 -8.642 8.606 1.00 0.00 H new ATOM 564 N THR A 38 7.553 -10.769 9.391 1.00 0.00 N ATOM 565 CA THR A 38 6.172 -10.403 9.688 1.00 0.00 C ATOM 566 C THR A 38 5.301 -11.651 9.803 1.00 0.00 C ATOM 567 O THR A 38 5.456 -12.600 9.036 1.00 0.00 O ATOM 568 CB THR A 38 5.626 -9.498 8.581 1.00 0.00 C ATOM 569 OG1 THR A 38 6.502 -8.393 8.401 1.00 0.00 O ATOM 570 CG2 THR A 38 4.238 -8.989 8.972 1.00 0.00 C ATOM 0 H THR A 38 7.769 -10.839 8.397 1.00 0.00 H new ATOM 0 HA THR A 38 6.151 -9.870 10.639 1.00 0.00 H new ATOM 0 HB THR A 38 5.555 -10.064 7.652 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.155 -7.813 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.851 -8.345 8.183 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.566 -9.836 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.306 -8.423 9.901 1.00 0.00 H new ATOM 578 N ASP A 39 4.385 -11.645 10.765 1.00 0.00 N ATOM 579 CA ASP A 39 3.500 -12.786 10.963 1.00 0.00 C ATOM 580 C ASP A 39 2.416 -12.815 9.891 1.00 0.00 C ATOM 581 O ASP A 39 2.234 -11.848 9.150 1.00 0.00 O ATOM 582 CB ASP A 39 2.854 -12.722 12.349 1.00 0.00 C ATOM 583 CG ASP A 39 1.940 -11.506 12.446 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.658 -10.916 11.416 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.536 -11.181 13.550 1.00 0.00 O ATOM 0 H ASP A 39 4.237 -10.872 11.413 1.00 0.00 H new ATOM 0 HA ASP A 39 4.094 -13.697 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.283 -13.632 12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.626 -12.668 13.116 1.00 0.00 H new ATOM 590 N MET A 40 1.702 -13.932 9.812 1.00 0.00 N ATOM 591 CA MET A 40 0.639 -14.084 8.824 1.00 0.00 C ATOM 592 C MET A 40 -0.460 -13.044 9.031 1.00 0.00 C ATOM 593 O MET A 40 -1.071 -12.580 8.069 1.00 0.00 O ATOM 594 CB MET A 40 0.038 -15.488 8.921 1.00 0.00 C ATOM 595 CG MET A 40 1.096 -16.522 8.532 1.00 0.00 C ATOM 596 SD MET A 40 0.329 -18.161 8.434 1.00 0.00 S ATOM 597 CE MET A 40 -0.665 -17.869 6.950 1.00 0.00 C ATOM 0 H MET A 40 1.838 -14.742 10.417 1.00 0.00 H new ATOM 0 HA MET A 40 1.072 -13.935 7.835 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.314 -15.676 9.935 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.827 -15.571 8.263 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.542 -16.259 7.573 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.901 -16.529 9.267 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.732 -18.789 6.370 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.666 -17.549 7.240 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.197 -17.092 6.345 1.00 0.00 H new ATOM 607 N ALA A 41 -0.717 -12.691 10.287 1.00 0.00 N ATOM 608 CA ALA A 41 -1.760 -11.717 10.592 1.00 0.00 C ATOM 609 C ALA A 41 -1.472 -10.379 9.917 1.00 0.00 C ATOM 610 O ALA A 41 -2.270 -9.897 9.114 1.00 0.00 O ATOM 611 CB ALA A 41 -1.854 -11.514 12.106 1.00 0.00 C ATOM 0 H ALA A 41 -0.225 -13.059 11.101 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.707 -12.101 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.634 -10.786 12.328 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.096 -12.462 12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.899 -11.149 12.484 1.00 0.00 H new ATOM 617 N LYS A 42 -0.328 -9.786 10.239 1.00 0.00 N ATOM 618 CA LYS A 42 0.047 -8.508 9.647 1.00 0.00 C ATOM 619 C LYS A 42 0.236 -8.651 8.140 1.00 0.00 C ATOM 620 O LYS A 42 -0.024 -7.718 7.381 1.00 0.00 O ATOM 621 CB LYS A 42 1.342 -7.981 10.279 1.00 0.00 C ATOM 622 CG LYS A 42 1.053 -7.360 11.654 1.00 0.00 C ATOM 623 CD LYS A 42 0.942 -8.460 12.710 1.00 0.00 C ATOM 624 CE LYS A 42 0.627 -7.830 14.069 1.00 0.00 C ATOM 625 NZ LYS A 42 1.811 -7.059 14.543 1.00 0.00 N ATOM 0 H LYS A 42 0.350 -10.165 10.900 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.757 -7.798 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.060 -8.794 10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.797 -7.237 9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.848 -6.665 11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.127 -6.786 11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.159 -9.167 12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.874 -9.022 12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.239 -7.173 13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.371 -8.605 14.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.712 -6.861 15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.675 -7.615 14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.874 -6.162 14.020 1.00 0.00 H new ATOM 639 N GLN A 43 0.698 -9.824 7.714 1.00 0.00 N ATOM 640 CA GLN A 43 0.924 -10.069 6.295 1.00 0.00 C ATOM 641 C GLN A 43 -0.345 -9.806 5.490 1.00 0.00 C ATOM 642 O GLN A 43 -0.299 -9.176 4.435 1.00 0.00 O ATOM 643 CB GLN A 43 1.372 -11.517 6.084 1.00 0.00 C ATOM 644 CG GLN A 43 1.789 -11.716 4.627 1.00 0.00 C ATOM 645 CD GLN A 43 2.131 -13.182 4.381 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.162 -14.012 5.387 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.377 -13.581 3.242 1.00 0.00 N flip ATOM 0 H GLN A 43 0.921 -10.611 8.324 1.00 0.00 H new ATOM 0 HA GLN A 43 1.703 -9.389 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.205 -11.751 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.561 -12.200 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.982 -11.405 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.650 -11.089 4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.352 -12.930 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.606 -14.562 3.084 1.00 0.00 H new ATOM 656 N LYS A 44 -1.478 -10.286 5.995 1.00 0.00 N ATOM 657 CA LYS A 44 -2.748 -10.084 5.307 1.00 0.00 C ATOM 658 C LYS A 44 -3.078 -8.598 5.224 1.00 0.00 C ATOM 659 O LYS A 44 -3.586 -8.120 4.209 1.00 0.00 O ATOM 660 CB LYS A 44 -3.872 -10.820 6.040 1.00 0.00 C ATOM 661 CG LYS A 44 -3.636 -12.329 5.954 1.00 0.00 C ATOM 662 CD LYS A 44 -4.820 -13.067 6.582 1.00 0.00 C ATOM 663 CE LYS A 44 -4.534 -14.570 6.596 1.00 0.00 C ATOM 664 NZ LYS A 44 -4.866 -15.151 5.264 1.00 0.00 N ATOM 0 H LYS A 44 -1.543 -10.811 6.867 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.658 -10.484 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.907 -10.506 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.836 -10.566 5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.516 -12.630 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.713 -12.594 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.989 -12.708 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.730 -12.864 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.485 -14.749 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.123 -15.056 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.672 -16.173 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.873 -14.992 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.285 -14.695 4.532 1.00 0.00 H new ATOM 678 N GLN A 45 -2.785 -7.873 6.298 1.00 0.00 N ATOM 679 CA GLN A 45 -3.054 -6.441 6.340 1.00 0.00 C ATOM 680 C GLN A 45 -2.265 -5.711 5.259 1.00 0.00 C ATOM 681 O GLN A 45 -2.770 -4.783 4.628 1.00 0.00 O ATOM 682 CB GLN A 45 -2.681 -5.880 7.714 1.00 0.00 C ATOM 683 CG GLN A 45 -3.133 -4.422 7.811 1.00 0.00 C ATOM 684 CD GLN A 45 -2.653 -3.815 9.124 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.450 -3.742 9.372 1.00 0.00 O ATOM 686 NE2 GLN A 45 -3.528 -3.372 9.986 1.00 0.00 N ATOM 0 H GLN A 45 -2.364 -8.251 7.147 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.118 -6.287 6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.152 -6.471 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.604 -5.949 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.736 -3.853 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.220 -4.364 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.525 -3.433 9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.215 -2.964 10.867 1.00 0.00 H new ATOM 695 N HIS A 46 -1.020 -6.132 5.053 1.00 0.00 N ATOM 696 CA HIS A 46 -0.172 -5.505 4.047 1.00 0.00 C ATOM 697 C HIS A 46 -0.813 -5.606 2.668 1.00 0.00 C ATOM 698 O HIS A 46 -0.846 -4.632 1.915 1.00 0.00 O ATOM 699 CB HIS A 46 1.201 -6.176 4.026 1.00 0.00 C ATOM 700 CG HIS A 46 2.106 -5.434 3.080 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.349 -5.877 1.789 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.831 -4.277 3.223 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.189 -4.997 1.211 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.514 -4.002 2.042 1.00 0.00 N ATOM 0 H HIS A 46 -0.580 -6.897 5.564 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.055 -4.452 4.304 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.630 -6.182 5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.105 -7.216 3.714 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.962 -6.716 1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.866 -3.672 4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.555 -5.085 0.199 1.00 0.00 H new ATOM 712 N GLN A 47 -1.322 -6.791 2.340 1.00 0.00 N ATOM 713 CA GLN A 47 -1.960 -6.999 1.046 1.00 0.00 C ATOM 714 C GLN A 47 -3.171 -6.084 0.893 1.00 0.00 C ATOM 715 O GLN A 47 -3.427 -5.557 -0.190 1.00 0.00 O ATOM 716 CB GLN A 47 -2.398 -8.458 0.899 1.00 0.00 C ATOM 717 CG GLN A 47 -1.189 -9.337 0.565 1.00 0.00 C ATOM 718 CD GLN A 47 0.008 -8.949 1.426 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.516 -7.832 1.322 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.498 -9.815 2.271 1.00 0.00 N ATOM 0 H GLN A 47 -1.305 -7.612 2.945 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.236 -6.761 0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.863 -8.801 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.148 -8.544 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.438 -10.385 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.935 -9.231 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.076 -10.740 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.303 -9.567 2.846 1.00 0.00 H new ATOM 729 N LYS A 48 -3.913 -5.899 1.981 1.00 0.00 N ATOM 730 CA LYS A 48 -5.093 -5.044 1.947 1.00 0.00 C ATOM 731 C LYS A 48 -4.704 -3.614 1.591 1.00 0.00 C ATOM 732 O LYS A 48 -5.281 -3.009 0.687 1.00 0.00 O ATOM 733 CB LYS A 48 -5.789 -5.060 3.310 1.00 0.00 C ATOM 734 CG LYS A 48 -7.137 -4.343 3.206 1.00 0.00 C ATOM 735 CD LYS A 48 -7.664 -4.034 4.610 1.00 0.00 C ATOM 736 CE LYS A 48 -7.997 -5.339 5.335 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.045 -5.082 6.362 1.00 0.00 N ATOM 0 H LYS A 48 -3.720 -6.325 2.888 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.775 -5.425 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.937 -6.088 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.162 -4.571 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.026 -3.420 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.851 -4.966 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.918 -3.474 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.552 -3.406 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.347 -6.085 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.102 -5.744 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.272 -5.969 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.695 -4.384 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.901 -4.714 5.900 1.00 0.00 H new ATOM 751 N ASP A 49 -3.719 -3.080 2.306 1.00 0.00 N ATOM 752 CA ASP A 49 -3.255 -1.721 2.055 1.00 0.00 C ATOM 753 C ASP A 49 -2.600 -1.621 0.682 1.00 0.00 C ATOM 754 O ASP A 49 -2.782 -0.637 -0.034 1.00 0.00 O ATOM 755 CB ASP A 49 -2.252 -1.303 3.132 1.00 0.00 C ATOM 756 CG ASP A 49 -2.950 -1.210 4.485 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.169 -1.229 4.503 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.253 -1.121 5.483 1.00 0.00 O ATOM 0 H ASP A 49 -3.230 -3.564 3.059 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.117 -1.054 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.437 -2.026 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.809 -0.341 2.875 1.00 0.00 H new ATOM 763 N PHE A 50 -1.832 -2.646 0.325 1.00 0.00 N ATOM 764 CA PHE A 50 -1.148 -2.663 -0.962 1.00 0.00 C ATOM 765 C PHE A 50 -2.153 -2.626 -2.110 1.00 0.00 C ATOM 766 O PHE A 50 -2.021 -1.825 -3.036 1.00 0.00 O ATOM 767 CB PHE A 50 -0.290 -3.924 -1.077 1.00 0.00 C ATOM 768 CG PHE A 50 0.524 -3.867 -2.347 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.768 -3.226 -2.353 1.00 0.00 C ATOM 770 CD2 PHE A 50 0.036 -4.457 -3.519 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.524 -3.174 -3.530 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.790 -4.405 -4.696 1.00 0.00 C ATOM 773 CZ PHE A 50 2.034 -3.763 -4.702 1.00 0.00 C ATOM 0 H PHE A 50 -1.669 -3.469 0.904 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.513 -1.779 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.370 -4.007 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.925 -4.810 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.145 -2.771 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.923 -4.953 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.484 -2.680 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.413 -4.860 -5.600 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.616 -3.722 -5.611 1.00 0.00 H new ATOM 783 N MET A 51 -3.153 -3.498 -2.044 1.00 0.00 N ATOM 784 CA MET A 51 -4.169 -3.552 -3.088 1.00 0.00 C ATOM 785 C MET A 51 -4.977 -2.259 -3.123 1.00 0.00 C ATOM 786 O MET A 51 -5.215 -1.696 -4.190 1.00 0.00 O ATOM 787 CB MET A 51 -5.108 -4.735 -2.842 1.00 0.00 C ATOM 788 CG MET A 51 -6.086 -4.862 -4.011 1.00 0.00 C ATOM 789 SD MET A 51 -7.275 -6.182 -3.661 1.00 0.00 S ATOM 790 CE MET A 51 -8.132 -6.144 -5.255 1.00 0.00 C ATOM 0 H MET A 51 -3.281 -4.170 -1.288 1.00 0.00 H new ATOM 0 HA MET A 51 -3.667 -3.678 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.532 -5.654 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.655 -4.591 -1.910 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.609 -3.918 -4.166 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.544 -5.081 -4.931 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.205 -6.253 -5.094 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.934 -5.194 -5.752 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.774 -6.962 -5.880 1.00 0.00 H new ATOM 800 N THR A 52 -5.396 -1.794 -1.951 1.00 0.00 N ATOM 801 CA THR A 52 -6.179 -0.566 -1.864 1.00 0.00 C ATOM 802 C THR A 52 -5.376 0.624 -2.383 1.00 0.00 C ATOM 803 O THR A 52 -5.908 1.489 -3.078 1.00 0.00 O ATOM 804 CB THR A 52 -6.591 -0.312 -0.412 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.267 -1.454 0.092 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.520 0.903 -0.349 1.00 0.00 C ATOM 0 H THR A 52 -5.209 -2.244 -1.055 1.00 0.00 H new ATOM 0 HA THR A 52 -7.070 -0.683 -2.481 1.00 0.00 H new ATOM 0 HB THR A 52 -5.703 -0.119 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.620 -2.056 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.813 1.084 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.000 1.779 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.409 0.713 -0.950 1.00 0.00 H new ATOM 814 N TYR A 53 -4.094 0.659 -2.037 1.00 0.00 N ATOM 815 CA TYR A 53 -3.224 1.747 -2.469 1.00 0.00 C ATOM 816 C TYR A 53 -3.137 1.797 -3.993 1.00 0.00 C ATOM 817 O TYR A 53 -3.080 2.875 -4.585 1.00 0.00 O ATOM 818 CB TYR A 53 -1.825 1.564 -1.878 1.00 0.00 C ATOM 819 CG TYR A 53 -0.980 2.772 -2.201 1.00 0.00 C ATOM 820 CD1 TYR A 53 -1.045 3.910 -1.386 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.131 2.758 -3.314 1.00 0.00 C ATOM 822 CE1 TYR A 53 -0.262 5.031 -1.685 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.652 3.879 -3.612 1.00 0.00 C ATOM 824 CZ TYR A 53 0.587 5.016 -2.797 1.00 0.00 C ATOM 825 OH TYR A 53 1.359 6.121 -3.092 1.00 0.00 O ATOM 0 H TYR A 53 -3.636 -0.048 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.647 2.686 -2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.889 1.430 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.362 0.664 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.699 3.922 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.080 1.882 -3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.313 5.908 -1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.307 3.867 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 53 1.891 5.943 -3.895 1.00 0.00 H new ATOM 835 N ALA A 54 -3.119 0.624 -4.619 1.00 0.00 N ATOM 836 CA ALA A 54 -3.030 0.545 -6.074 1.00 0.00 C ATOM 837 C ALA A 54 -4.205 1.263 -6.730 1.00 0.00 C ATOM 838 O ALA A 54 -4.068 1.827 -7.815 1.00 0.00 O ATOM 839 CB ALA A 54 -3.013 -0.919 -6.516 1.00 0.00 C ATOM 0 H ALA A 54 -3.164 -0.279 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.106 1.032 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.946 -0.970 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.152 -1.422 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.928 -1.410 -6.185 1.00 0.00 H new ATOM 845 N PHE A 55 -5.357 1.244 -6.067 1.00 0.00 N ATOM 846 CA PHE A 55 -6.544 1.905 -6.601 1.00 0.00 C ATOM 847 C PHE A 55 -6.566 3.377 -6.201 1.00 0.00 C ATOM 848 O PHE A 55 -7.539 4.085 -6.462 1.00 0.00 O ATOM 849 CB PHE A 55 -7.811 1.214 -6.091 1.00 0.00 C ATOM 850 CG PHE A 55 -8.090 -0.012 -6.928 1.00 0.00 C ATOM 851 CD1 PHE A 55 -7.476 -1.231 -6.619 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.966 0.072 -8.018 1.00 0.00 C ATOM 853 CE1 PHE A 55 -7.737 -2.365 -7.398 1.00 0.00 C ATOM 854 CE2 PHE A 55 -9.227 -1.060 -8.797 1.00 0.00 C ATOM 855 CZ PHE A 55 -8.612 -2.280 -8.487 1.00 0.00 C ATOM 0 H PHE A 55 -5.494 0.783 -5.168 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.511 1.836 -7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.688 0.933 -5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.657 1.900 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.800 -1.297 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.441 1.012 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.263 -3.305 -7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.902 -0.994 -9.637 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.813 -3.154 -9.088 1.00 0.00 H new ATOM 865 N GLY A 56 -5.489 3.830 -5.569 1.00 0.00 N ATOM 866 CA GLY A 56 -5.397 5.221 -5.140 1.00 0.00 C ATOM 867 C GLY A 56 -5.872 5.382 -3.701 1.00 0.00 C ATOM 868 O GLY A 56 -6.070 6.501 -3.226 1.00 0.00 O ATOM 0 H GLY A 56 -4.674 3.260 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.366 5.565 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.999 5.849 -5.798 1.00 0.00 H new ATOM 872 N GLY A 57 -6.054 4.261 -3.012 1.00 0.00 N ATOM 873 CA GLY A 57 -6.506 4.289 -1.625 1.00 0.00 C ATOM 874 C GLY A 57 -5.574 5.135 -0.762 1.00 0.00 C ATOM 875 O GLY A 57 -4.788 4.603 0.022 1.00 0.00 O ATOM 0 H GLY A 57 -5.897 3.326 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.518 4.692 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.549 3.273 -1.232 1.00 0.00 H new ATOM 879 N THR A 58 -5.669 6.451 -0.912 1.00 0.00 N ATOM 880 CA THR A 58 -4.831 7.363 -0.142 1.00 0.00 C ATOM 881 C THR A 58 -5.272 7.390 1.318 1.00 0.00 C ATOM 882 O THR A 58 -4.584 7.943 2.175 1.00 0.00 O ATOM 883 CB THR A 58 -4.915 8.774 -0.730 1.00 0.00 C ATOM 884 OG1 THR A 58 -6.234 9.276 -0.562 1.00 0.00 O ATOM 885 CG2 THR A 58 -4.571 8.729 -2.219 1.00 0.00 C ATOM 0 H THR A 58 -6.314 6.909 -1.556 1.00 0.00 H new ATOM 0 HA THR A 58 -3.801 7.011 -0.193 1.00 0.00 H new ATOM 0 HB THR A 58 -4.209 9.426 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.290 10.180 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.631 9.734 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.560 8.342 -2.347 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.276 8.078 -2.736 1.00 0.00 H new ATOM 893 N ASP A 59 -6.426 6.788 1.590 1.00 0.00 N ATOM 894 CA ASP A 59 -6.957 6.748 2.947 1.00 0.00 C ATOM 895 C ASP A 59 -5.957 6.098 3.899 1.00 0.00 C ATOM 896 O ASP A 59 -5.127 5.290 3.486 1.00 0.00 O ATOM 897 CB ASP A 59 -8.269 5.963 2.970 1.00 0.00 C ATOM 898 CG ASP A 59 -8.936 6.103 4.335 1.00 0.00 C ATOM 899 OD1 ASP A 59 -8.425 6.856 5.147 1.00 0.00 O ATOM 900 OD2 ASP A 59 -9.949 5.456 4.546 1.00 0.00 O ATOM 0 H ASP A 59 -7.008 6.324 0.893 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.138 7.772 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.936 6.331 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.077 4.912 2.756 1.00 0.00 H new ATOM 905 N ARG A 60 -6.045 6.463 5.175 1.00 0.00 N ATOM 906 CA ARG A 60 -5.145 5.918 6.186 1.00 0.00 C ATOM 907 C ARG A 60 -3.691 6.216 5.830 1.00 0.00 C ATOM 908 O ARG A 60 -3.408 7.112 5.034 1.00 0.00 O ATOM 909 CB ARG A 60 -5.345 4.404 6.304 1.00 0.00 C ATOM 910 CG ARG A 60 -6.758 4.112 6.811 1.00 0.00 C ATOM 911 CD ARG A 60 -6.917 2.607 7.034 1.00 0.00 C ATOM 912 NE ARG A 60 -8.302 2.287 7.358 1.00 0.00 N ATOM 913 CZ ARG A 60 -8.610 1.196 8.054 1.00 0.00 C ATOM 914 NH1 ARG A 60 -7.664 0.392 8.458 1.00 0.00 N ATOM 915 NH2 ARG A 60 -9.856 0.931 8.334 1.00 0.00 N ATOM 0 H ARG A 60 -6.728 7.131 5.532 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.376 6.390 7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.190 3.930 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.608 3.982 6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.941 4.650 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.495 4.464 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.611 2.066 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.263 2.281 7.843 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.047 2.910 7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.690 0.601 8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.899 -0.445 8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.594 1.560 8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.092 0.094 8.868 1.00 0.00 H new ATOM 929 N PHE A 61 -2.773 5.462 6.428 1.00 0.00 N ATOM 930 CA PHE A 61 -1.351 5.658 6.169 1.00 0.00 C ATOM 931 C PHE A 61 -0.978 7.128 6.329 1.00 0.00 C ATOM 932 O PHE A 61 -0.466 7.754 5.399 1.00 0.00 O ATOM 933 CB PHE A 61 -1.011 5.192 4.752 1.00 0.00 C ATOM 934 CG PHE A 61 -1.922 4.053 4.363 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.295 3.096 5.315 1.00 0.00 C ATOM 936 CD2 PHE A 61 -2.395 3.953 3.049 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.140 2.040 4.953 1.00 0.00 C ATOM 938 CE2 PHE A 61 -3.240 2.896 2.687 1.00 0.00 C ATOM 939 CZ PHE A 61 -3.613 1.940 3.639 1.00 0.00 C ATOM 0 H PHE A 61 -2.986 4.716 7.090 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.782 5.070 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.124 6.018 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.030 4.872 4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.931 3.173 6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.108 4.691 2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.427 1.302 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.604 2.819 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.265 1.126 3.360 1.00 0.00 H new ATOM 949 N PRO A 62 -1.224 7.684 7.485 1.00 0.00 N ATOM 950 CA PRO A 62 -0.909 9.114 7.777 1.00 0.00 C ATOM 951 C PRO A 62 0.590 9.393 7.733 1.00 0.00 C ATOM 952 O PRO A 62 1.393 8.608 8.237 1.00 0.00 O ATOM 953 CB PRO A 62 -1.468 9.342 9.186 1.00 0.00 C ATOM 954 CG PRO A 62 -1.608 7.985 9.794 1.00 0.00 C ATOM 955 CD PRO A 62 -1.829 7.009 8.642 1.00 0.00 C ATOM 0 HA PRO A 62 -1.344 9.783 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.798 9.967 9.776 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.430 9.854 9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.715 7.720 10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.446 7.958 10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.354 6.047 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.889 6.814 8.481 1.00 0.00 H new ATOM 963 N GLY A 63 0.960 10.518 7.129 1.00 0.00 N ATOM 964 CA GLY A 63 2.366 10.892 7.027 1.00 0.00 C ATOM 965 C GLY A 63 3.053 10.120 5.906 1.00 0.00 C ATOM 966 O GLY A 63 2.409 9.375 5.167 1.00 0.00 O ATOM 0 H GLY A 63 0.311 11.182 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.449 11.963 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.869 10.693 7.973 1.00 0.00 H new ATOM 970 N ARG A 64 4.365 10.297 5.789 1.00 0.00 N ATOM 971 CA ARG A 64 5.127 9.606 4.756 1.00 0.00 C ATOM 972 C ARG A 64 6.137 8.648 5.386 1.00 0.00 C ATOM 973 O ARG A 64 5.787 7.532 5.767 1.00 0.00 O ATOM 974 CB ARG A 64 5.851 10.624 3.871 1.00 0.00 C ATOM 975 CG ARG A 64 6.576 9.894 2.738 1.00 0.00 C ATOM 976 CD ARG A 64 7.362 10.905 1.900 1.00 0.00 C ATOM 977 NE ARG A 64 6.454 11.879 1.305 1.00 0.00 N ATOM 978 CZ ARG A 64 5.828 11.625 0.160 1.00 0.00 C ATOM 979 NH1 ARG A 64 6.024 10.489 -0.452 1.00 0.00 N ATOM 980 NH2 ARG A 64 5.019 12.511 -0.352 1.00 0.00 N ATOM 0 H ARG A 64 4.918 10.907 6.391 1.00 0.00 H new ATOM 0 HA ARG A 64 4.436 9.027 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.136 11.337 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.565 11.195 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.251 9.143 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.856 9.367 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.095 11.415 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.916 10.387 1.117 1.00 0.00 H new ATOM 0 HE ARG A 64 6.297 12.770 1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.657 9.797 -0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.544 10.294 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.867 13.399 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.539 12.316 -1.231 1.00 0.00 H new ATOM 994 N SER A 65 7.386 9.093 5.497 1.00 0.00 N ATOM 995 CA SER A 65 8.437 8.268 6.085 1.00 0.00 C ATOM 996 C SER A 65 8.231 6.796 5.738 1.00 0.00 C ATOM 997 O SER A 65 8.661 5.910 6.475 1.00 0.00 O ATOM 998 CB SER A 65 8.445 8.438 7.604 1.00 0.00 C ATOM 999 OG SER A 65 7.172 8.079 8.124 1.00 0.00 O ATOM 0 H SER A 65 7.694 10.015 5.189 1.00 0.00 H new ATOM 0 HA SER A 65 9.394 8.592 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.221 7.814 8.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.679 9.470 7.865 1.00 0.00 H new ATOM 0 HG SER A 65 7.175 8.186 9.098 1.00 0.00 H new ATOM 1005 N MET A 66 7.574 6.543 4.610 1.00 0.00 N ATOM 1006 CA MET A 66 7.321 5.174 4.177 1.00 0.00 C ATOM 1007 C MET A 66 8.632 4.422 3.975 1.00 0.00 C ATOM 1008 O MET A 66 8.719 3.223 4.243 1.00 0.00 O ATOM 1009 CB MET A 66 6.525 5.180 2.870 1.00 0.00 C ATOM 1010 CG MET A 66 5.111 5.701 3.134 1.00 0.00 C ATOM 1011 SD MET A 66 4.183 4.468 4.082 1.00 0.00 S ATOM 1012 CE MET A 66 3.557 5.582 5.365 1.00 0.00 C ATOM 0 H MET A 66 7.210 7.262 3.984 1.00 0.00 H new ATOM 0 HA MET A 66 6.744 4.669 4.952 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.023 5.808 2.132 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.481 4.173 2.454 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.155 6.641 3.684 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.605 5.907 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.579 5.238 5.700 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.247 5.590 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.468 6.590 4.960 1.00 0.00 H new ATOM 1022 N ARG A 67 9.649 5.132 3.499 1.00 0.00 N ATOM 1023 CA ARG A 67 10.951 4.518 3.262 1.00 0.00 C ATOM 1024 C ARG A 67 11.499 3.900 4.545 1.00 0.00 C ATOM 1025 O ARG A 67 12.133 2.845 4.514 1.00 0.00 O ATOM 1026 CB ARG A 67 11.936 5.566 2.742 1.00 0.00 C ATOM 1027 CG ARG A 67 11.471 6.074 1.377 1.00 0.00 C ATOM 1028 CD ARG A 67 12.517 7.033 0.809 1.00 0.00 C ATOM 1029 NE ARG A 67 12.022 7.656 -0.413 1.00 0.00 N ATOM 1030 CZ ARG A 67 12.831 8.354 -1.204 1.00 0.00 C ATOM 1031 NH1 ARG A 67 14.090 8.493 -0.890 1.00 0.00 N ATOM 1032 NH2 ARG A 67 12.366 8.901 -2.294 1.00 0.00 N ATOM 0 H ARG A 67 9.599 6.125 3.271 1.00 0.00 H new ATOM 0 HA ARG A 67 10.827 3.731 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.005 6.396 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.933 5.134 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.322 5.236 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.511 6.581 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.755 7.800 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.441 6.493 0.601 1.00 0.00 H new ATOM 0 HE ARG A 67 11.039 7.555 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.453 8.066 -0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.711 9.028 -1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.382 8.793 -2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.987 9.437 -2.901 1.00 0.00 H new ATOM 1046 N ALA A 68 11.252 4.564 5.670 1.00 0.00 N ATOM 1047 CA ALA A 68 11.731 4.069 6.955 1.00 0.00 C ATOM 1048 C ALA A 68 11.124 2.705 7.269 1.00 0.00 C ATOM 1049 O ALA A 68 11.783 1.840 7.846 1.00 0.00 O ATOM 1050 CB ALA A 68 11.367 5.059 8.064 1.00 0.00 C ATOM 0 H ALA A 68 10.728 5.438 5.718 1.00 0.00 H new ATOM 0 HA ALA A 68 12.815 3.965 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.728 4.682 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.829 6.024 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.284 5.177 8.106 1.00 0.00 H new ATOM 1056 N ALA A 69 9.866 2.520 6.884 1.00 0.00 N ATOM 1057 CA ALA A 69 9.182 1.256 7.131 1.00 0.00 C ATOM 1058 C ALA A 69 9.846 0.123 6.354 1.00 0.00 C ATOM 1059 O ALA A 69 9.940 -1.005 6.840 1.00 0.00 O ATOM 1060 CB ALA A 69 7.714 1.366 6.720 1.00 0.00 C ATOM 0 H ALA A 69 9.303 3.222 6.404 1.00 0.00 H new ATOM 0 HA ALA A 69 9.245 1.035 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.211 0.417 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.232 2.153 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.650 1.606 5.659 1.00 0.00 H new ATOM 1066 N HIS A 70 10.305 0.430 5.144 1.00 0.00 N ATOM 1067 CA HIS A 70 10.956 -0.573 4.309 1.00 0.00 C ATOM 1068 C HIS A 70 12.473 -0.509 4.466 1.00 0.00 C ATOM 1069 O HIS A 70 13.185 -1.425 4.055 1.00 0.00 O ATOM 1070 CB HIS A 70 10.582 -0.354 2.842 1.00 0.00 C ATOM 1071 CG HIS A 70 9.103 -0.571 2.662 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.190 0.470 2.732 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.364 -1.701 2.414 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.965 -0.050 2.529 1.00 0.00 C ATOM 1075 NE2 HIS A 70 7.014 -1.370 2.331 1.00 0.00 N ATOM 0 H HIS A 70 10.239 1.357 4.723 1.00 0.00 H new ATOM 0 HA HIS A 70 10.614 -1.557 4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.852 0.656 2.534 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.141 -1.041 2.207 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.407 1.451 2.906 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.768 -2.696 2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.054 0.530 2.527 1.00 0.00 H new ATOM 1083 N GLN A 71 12.963 0.576 5.059 1.00 0.00 N ATOM 1084 CA GLN A 71 14.399 0.736 5.258 1.00 0.00 C ATOM 1085 C GLN A 71 14.961 -0.436 6.053 1.00 0.00 C ATOM 1086 O GLN A 71 16.047 -0.936 5.757 1.00 0.00 O ATOM 1087 CB GLN A 71 14.687 2.042 6.001 1.00 0.00 C ATOM 1088 CG GLN A 71 16.197 2.281 6.047 1.00 0.00 C ATOM 1089 CD GLN A 71 16.507 3.496 6.915 1.00 0.00 C ATOM 1090 OE1 GLN A 71 16.264 3.476 8.122 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.033 4.558 6.370 1.00 0.00 N ATOM 0 H GLN A 71 12.395 1.348 5.406 1.00 0.00 H new ATOM 0 HA GLN A 71 14.879 0.764 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.192 2.874 5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.285 1.993 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.701 1.401 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.580 2.437 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.233 4.572 5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.244 5.374 6.944 1.00 0.00 H new ATOM 1100 N ASP A 72 14.215 -0.872 7.063 1.00 0.00 N ATOM 1101 CA ASP A 72 14.648 -1.988 7.891 1.00 0.00 C ATOM 1102 C ASP A 72 14.836 -3.241 7.041 1.00 0.00 C ATOM 1103 O ASP A 72 15.764 -4.019 7.260 1.00 0.00 O ATOM 1104 CB ASP A 72 13.615 -2.260 8.985 1.00 0.00 C ATOM 1105 CG ASP A 72 13.575 -1.093 9.964 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.472 -0.270 9.910 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.647 -1.040 10.755 1.00 0.00 O ATOM 0 H ASP A 72 13.314 -0.472 7.325 1.00 0.00 H new ATOM 0 HA ASP A 72 15.601 -1.727 8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.631 -2.406 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.866 -3.180 9.513 1.00 0.00 H new ATOM 1112 N LEU A 73 13.945 -3.429 6.072 1.00 0.00 N ATOM 1113 CA LEU A 73 14.021 -4.592 5.197 1.00 0.00 C ATOM 1114 C LEU A 73 15.333 -4.601 4.420 1.00 0.00 C ATOM 1115 O LEU A 73 15.975 -5.642 4.286 1.00 0.00 O ATOM 1116 CB LEU A 73 12.853 -4.577 4.210 1.00 0.00 C ATOM 1117 CG LEU A 73 11.529 -4.613 4.975 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.367 -4.574 3.982 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.450 -5.902 5.796 1.00 0.00 C ATOM 0 H LEU A 73 13.169 -2.797 5.875 1.00 0.00 H new ATOM 0 HA LEU A 73 13.971 -5.488 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.901 -3.682 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.920 -5.434 3.540 1.00 0.00 H new ATOM 0 HG LEU A 73 11.470 -3.752 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.423 -4.600 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.422 -3.658 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.427 -5.436 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.507 -5.929 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.508 -6.762 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.279 -5.935 6.503 1.00 0.00 H new ATOM 1131 N VAL A 74 15.724 -3.437 3.908 1.00 0.00 N ATOM 1132 CA VAL A 74 16.959 -3.326 3.141 1.00 0.00 C ATOM 1133 C VAL A 74 18.175 -3.594 4.021 1.00 0.00 C ATOM 1134 O VAL A 74 19.099 -4.303 3.622 1.00 0.00 O ATOM 1135 CB VAL A 74 17.069 -1.928 2.531 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.439 -1.765 1.870 1.00 0.00 C ATOM 1137 CG2 VAL A 74 15.972 -1.746 1.478 1.00 0.00 C ATOM 0 H VAL A 74 15.207 -2.564 4.010 1.00 0.00 H new ATOM 0 HA VAL A 74 16.934 -4.072 2.347 1.00 0.00 H new ATOM 0 HB VAL A 74 16.952 -1.179 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.517 -0.768 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.222 -1.897 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.556 -2.513 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.048 -0.750 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.091 -2.495 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.995 -1.863 1.947 1.00 0.00 H new ATOM 1147 N GLU A 75 18.172 -3.019 5.219 1.00 0.00 N ATOM 1148 CA GLU A 75 19.284 -3.202 6.144 1.00 0.00 C ATOM 1149 C GLU A 75 19.396 -4.663 6.568 1.00 0.00 C ATOM 1150 O GLU A 75 20.496 -5.178 6.774 1.00 0.00 O ATOM 1151 CB GLU A 75 19.084 -2.322 7.382 1.00 0.00 C ATOM 1152 CG GLU A 75 19.131 -0.847 6.976 1.00 0.00 C ATOM 1153 CD GLU A 75 20.505 -0.501 6.411 1.00 0.00 C ATOM 1154 OE1 GLU A 75 21.433 -1.254 6.658 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.610 0.513 5.741 1.00 0.00 O ATOM 0 H GLU A 75 17.419 -2.427 5.570 1.00 0.00 H new ATOM 0 HA GLU A 75 20.204 -2.913 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.127 -2.550 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.859 -2.532 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.361 -0.642 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.915 -0.217 7.839 1.00 0.00 H new ATOM 1162 N ASN A 76 18.251 -5.325 6.700 1.00 0.00 N ATOM 1163 CA ASN A 76 18.232 -6.727 7.106 1.00 0.00 C ATOM 1164 C ASN A 76 18.246 -7.649 5.888 1.00 0.00 C ATOM 1165 O ASN A 76 19.159 -8.457 5.722 1.00 0.00 O ATOM 1166 CB ASN A 76 16.986 -7.006 7.947 1.00 0.00 C ATOM 1167 CG ASN A 76 17.021 -6.171 9.223 1.00 0.00 C ATOM 1168 OD1 ASN A 76 18.080 -5.682 9.617 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.919 -5.976 9.894 1.00 0.00 N ATOM 0 H ASN A 76 17.331 -4.918 6.533 1.00 0.00 H new ATOM 0 HA ASN A 76 19.126 -6.924 7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.090 -6.771 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.936 -8.066 8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.934 -5.417 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.043 -6.382 9.565 1.00 0.00 H new ATOM 1176 N ALA A 77 17.224 -7.528 5.047 1.00 0.00 N ATOM 1177 CA ALA A 77 17.126 -8.363 3.853 1.00 0.00 C ATOM 1178 C ALA A 77 17.479 -7.566 2.601 1.00 0.00 C ATOM 1179 O ALA A 77 17.266 -6.357 2.538 1.00 0.00 O ATOM 1180 CB ALA A 77 15.706 -8.915 3.723 1.00 0.00 C ATOM 0 H ALA A 77 16.457 -6.866 5.167 1.00 0.00 H new ATOM 0 HA ALA A 77 17.834 -9.186 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.638 -9.537 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.466 -9.513 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.000 -8.088 3.644 1.00 0.00 H new ATOM 1186 N GLY A 78 18.019 -8.256 1.601 1.00 0.00 N ATOM 1187 CA GLY A 78 18.395 -7.604 0.353 1.00 0.00 C ATOM 1188 C GLY A 78 17.237 -7.624 -0.639 1.00 0.00 C ATOM 1189 O GLY A 78 16.823 -8.687 -1.102 1.00 0.00 O ATOM 0 H GLY A 78 18.205 -9.259 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.693 -6.574 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.259 -8.108 -0.080 1.00 0.00 H new ATOM 1193 N LEU A 79 16.721 -6.443 -0.964 1.00 0.00 N ATOM 1194 CA LEU A 79 15.613 -6.336 -1.905 1.00 0.00 C ATOM 1195 C LEU A 79 16.130 -5.973 -3.293 1.00 0.00 C ATOM 1196 O LEU A 79 16.987 -5.101 -3.436 1.00 0.00 O ATOM 1197 CB LEU A 79 14.623 -5.268 -1.432 1.00 0.00 C ATOM 1198 CG LEU A 79 13.370 -5.291 -2.315 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.423 -6.396 -1.842 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.661 -3.939 -2.222 1.00 0.00 C ATOM 0 H LEU A 79 17.050 -5.552 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 79 15.107 -7.300 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.349 -5.448 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.089 -4.284 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 79 13.660 -5.484 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.534 -6.408 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.927 -7.360 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.132 -6.208 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.769 -3.952 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.375 -3.749 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.333 -3.152 -2.563 1.00 0.00 H new ATOM 1212 N THR A 80 15.605 -6.645 -4.310 1.00 0.00 N ATOM 1213 CA THR A 80 16.024 -6.380 -5.681 1.00 0.00 C ATOM 1214 C THR A 80 14.866 -5.811 -6.495 1.00 0.00 C ATOM 1215 O THR A 80 13.700 -5.970 -6.133 1.00 0.00 O ATOM 1216 CB THR A 80 16.527 -7.669 -6.333 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.441 -8.570 -6.492 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.598 -8.310 -5.449 1.00 0.00 C ATOM 0 H THR A 80 14.895 -7.371 -4.214 1.00 0.00 H new ATOM 0 HA THR A 80 16.831 -5.647 -5.659 1.00 0.00 H new ATOM 0 HB THR A 80 16.957 -7.439 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.967 -8.665 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.954 -9.228 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.431 -7.618 -5.327 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.173 -8.541 -4.472 1.00 0.00 H new ATOM 1226 N ASP A 81 15.199 -5.141 -7.594 1.00 0.00 N ATOM 1227 CA ASP A 81 14.185 -4.542 -8.455 1.00 0.00 C ATOM 1228 C ASP A 81 13.241 -5.601 -9.017 1.00 0.00 C ATOM 1229 O ASP A 81 12.042 -5.361 -9.161 1.00 0.00 O ATOM 1230 CB ASP A 81 14.860 -3.796 -9.607 1.00 0.00 C ATOM 1231 CG ASP A 81 15.635 -2.599 -9.070 1.00 0.00 C ATOM 1232 OD1 ASP A 81 15.440 -2.263 -7.912 1.00 0.00 O ATOM 1233 OD2 ASP A 81 16.412 -2.034 -9.822 1.00 0.00 O ATOM 0 H ASP A 81 16.159 -5.000 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 81 13.600 -3.845 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.534 -4.467 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.110 -3.462 -10.324 1.00 0.00 H new ATOM 1238 N VAL A 82 13.786 -6.769 -9.344 1.00 0.00 N ATOM 1239 CA VAL A 82 12.973 -7.845 -9.901 1.00 0.00 C ATOM 1240 C VAL A 82 11.830 -8.218 -8.960 1.00 0.00 C ATOM 1241 O VAL A 82 10.716 -8.488 -9.407 1.00 0.00 O ATOM 1242 CB VAL A 82 13.844 -9.074 -10.179 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.674 -9.413 -8.940 1.00 0.00 C ATOM 1244 CG2 VAL A 82 12.946 -10.263 -10.530 1.00 0.00 C ATOM 0 H VAL A 82 14.775 -6.993 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 82 12.541 -7.491 -10.837 1.00 0.00 H new ATOM 0 HB VAL A 82 14.513 -8.860 -11.012 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.291 -10.288 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.314 -8.568 -8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.009 -9.625 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.563 -11.139 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.277 -10.472 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.358 -10.025 -11.416 1.00 0.00 H new ATOM 1254 N HIS A 83 12.106 -8.230 -7.659 1.00 0.00 N ATOM 1255 CA HIS A 83 11.077 -8.574 -6.682 1.00 0.00 C ATOM 1256 C HIS A 83 9.874 -7.645 -6.816 1.00 0.00 C ATOM 1257 O HIS A 83 8.729 -8.096 -6.806 1.00 0.00 O ATOM 1258 CB HIS A 83 11.640 -8.482 -5.262 1.00 0.00 C ATOM 1259 CG HIS A 83 12.572 -9.637 -5.017 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.944 -9.474 -4.920 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.340 -10.980 -4.845 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.482 -10.688 -4.701 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.549 -11.642 -4.645 1.00 0.00 N ATOM 0 H HIS A 83 13.019 -8.009 -7.261 1.00 0.00 H new ATOM 0 HA HIS A 83 10.755 -9.597 -6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.170 -7.539 -5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.828 -8.496 -4.535 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.368 -11.451 -4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.540 -10.869 -4.585 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.691 -12.640 -4.489 1.00 0.00 H new ATOM 1271 N PHE A 84 10.139 -6.349 -6.944 1.00 0.00 N ATOM 1272 CA PHE A 84 9.064 -5.375 -7.084 1.00 0.00 C ATOM 1273 C PHE A 84 8.254 -5.655 -8.345 1.00 0.00 C ATOM 1274 O PHE A 84 7.023 -5.648 -8.321 1.00 0.00 O ATOM 1275 CB PHE A 84 9.643 -3.961 -7.148 1.00 0.00 C ATOM 1276 CG PHE A 84 8.515 -2.956 -7.173 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.925 -2.535 -5.976 1.00 0.00 C ATOM 1278 CD2 PHE A 84 8.061 -2.445 -8.395 1.00 0.00 C ATOM 1279 CE1 PHE A 84 6.879 -1.604 -6.000 1.00 0.00 C ATOM 1280 CE2 PHE A 84 7.015 -1.514 -8.419 1.00 0.00 C ATOM 1281 CZ PHE A 84 6.425 -1.093 -7.222 1.00 0.00 C ATOM 0 H PHE A 84 11.079 -5.952 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 84 8.408 -5.456 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.286 -3.780 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.263 -3.850 -8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.276 -2.928 -5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.517 -2.769 -9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.423 -1.280 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.664 -1.121 -9.362 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.619 -0.374 -7.241 1.00 0.00 H new ATOM 1291 N ASP A 85 8.955 -5.903 -9.444 1.00 0.00 N ATOM 1292 CA ASP A 85 8.294 -6.190 -10.712 1.00 0.00 C ATOM 1293 C ASP A 85 7.474 -7.472 -10.614 1.00 0.00 C ATOM 1294 O ASP A 85 6.409 -7.587 -11.221 1.00 0.00 O ATOM 1295 CB ASP A 85 9.335 -6.330 -11.823 1.00 0.00 C ATOM 1296 CG ASP A 85 8.641 -6.453 -13.175 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.303 -5.425 -13.739 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.456 -7.571 -13.626 1.00 0.00 O ATOM 0 H ASP A 85 9.974 -5.911 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 85 7.623 -5.363 -10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.998 -5.465 -11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.956 -7.207 -11.642 1.00 0.00 H new ATOM 1303 N ALA A 86 7.984 -8.437 -9.855 1.00 0.00 N ATOM 1304 CA ALA A 86 7.297 -9.714 -9.696 1.00 0.00 C ATOM 1305 C ALA A 86 5.956 -9.533 -8.991 1.00 0.00 C ATOM 1306 O ALA A 86 4.907 -9.871 -9.540 1.00 0.00 O ATOM 1307 CB ALA A 86 8.170 -10.677 -8.888 1.00 0.00 C ATOM 0 H ALA A 86 8.864 -8.360 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 86 7.114 -10.125 -10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.651 -11.629 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.113 -10.839 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.368 -10.250 -7.905 1.00 0.00 H new ATOM 1313 N ILE A 87 5.992 -9.001 -7.772 1.00 0.00 N ATOM 1314 CA ILE A 87 4.764 -8.789 -7.013 1.00 0.00 C ATOM 1315 C ILE A 87 3.858 -7.790 -7.724 1.00 0.00 C ATOM 1316 O ILE A 87 2.633 -7.893 -7.658 1.00 0.00 O ATOM 1317 CB ILE A 87 5.096 -8.280 -5.607 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.853 -8.387 -4.718 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.544 -6.820 -5.679 1.00 0.00 C ATOM 1320 CD1 ILE A 87 4.255 -8.197 -3.255 1.00 0.00 C ATOM 0 H ILE A 87 6.846 -8.712 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 87 4.239 -9.741 -6.935 1.00 0.00 H new ATOM 0 HB ILE A 87 5.900 -8.884 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.121 -7.633 -5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.379 -9.359 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.779 -6.462 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.430 -6.742 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.743 -6.214 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.371 -8.273 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.972 -8.968 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.709 -7.215 -3.127 1.00 0.00 H new ATOM 1332 N ALA A 88 4.466 -6.824 -8.407 1.00 0.00 N ATOM 1333 CA ALA A 88 3.697 -5.817 -9.128 1.00 0.00 C ATOM 1334 C ALA A 88 2.971 -6.446 -10.312 1.00 0.00 C ATOM 1335 O ALA A 88 1.798 -6.162 -10.560 1.00 0.00 O ATOM 1336 CB ALA A 88 4.626 -4.707 -9.627 1.00 0.00 C ATOM 0 H ALA A 88 5.478 -6.718 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 88 2.959 -5.393 -8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.043 -3.959 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.122 -4.238 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.375 -5.132 -10.295 1.00 0.00 H new ATOM 1342 N GLU A 89 3.677 -7.307 -11.038 1.00 0.00 N ATOM 1343 CA GLU A 89 3.091 -7.976 -12.192 1.00 0.00 C ATOM 1344 C GLU A 89 1.913 -8.842 -11.763 1.00 0.00 C ATOM 1345 O GLU A 89 0.910 -8.940 -12.470 1.00 0.00 O ATOM 1346 CB GLU A 89 4.144 -8.845 -12.883 1.00 0.00 C ATOM 1347 CG GLU A 89 3.561 -9.424 -14.174 1.00 0.00 C ATOM 1348 CD GLU A 89 4.565 -10.372 -14.820 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.634 -10.545 -14.257 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.251 -10.913 -15.867 1.00 0.00 O ATOM 0 H GLU A 89 4.648 -7.556 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 89 2.735 -7.217 -12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.031 -8.252 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.458 -9.651 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.634 -9.955 -13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.313 -8.618 -14.865 1.00 0.00 H new ATOM 1357 N ASN A 90 2.041 -9.468 -10.597 1.00 0.00 N ATOM 1358 CA ASN A 90 0.980 -10.323 -10.082 1.00 0.00 C ATOM 1359 C ASN A 90 -0.321 -9.540 -9.949 1.00 0.00 C ATOM 1360 O ASN A 90 -1.402 -10.064 -10.213 1.00 0.00 O ATOM 1361 CB ASN A 90 1.380 -10.884 -8.716 1.00 0.00 C ATOM 1362 CG ASN A 90 2.592 -11.798 -8.861 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.903 -12.248 -9.964 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.296 -12.104 -7.806 1.00 0.00 N ATOM 0 H ASN A 90 2.862 -9.400 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 90 0.828 -11.144 -10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.610 -10.067 -8.032 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.547 -11.437 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.106 -12.717 -7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.036 -11.730 -6.893 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.208 -8.280 -9.538 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.383 -7.435 -9.375 1.00 0.00 C ATOM 1373 C LEU A 91 -2.116 -7.277 -10.703 1.00 0.00 C ATOM 1374 O LEU A 91 -3.346 -7.303 -10.750 1.00 0.00 O ATOM 1375 CB LEU A 91 -0.966 -6.058 -8.851 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.214 -5.215 -8.572 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.011 -5.838 -7.423 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -1.791 -3.797 -8.185 1.00 0.00 C ATOM 0 H LEU A 91 0.678 -7.826 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.053 -7.908 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.378 -6.167 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.332 -5.556 -9.582 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.836 -5.182 -9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.898 -5.236 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.312 -6.850 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.391 -5.873 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.677 -3.195 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.169 -3.834 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.225 -3.350 -9.002 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.352 -7.117 -11.779 1.00 0.00 N ATOM 1391 CA VAL A 92 -1.945 -6.959 -13.103 1.00 0.00 C ATOM 1392 C VAL A 92 -2.677 -8.230 -13.520 1.00 0.00 C ATOM 1393 O VAL A 92 -3.786 -8.175 -14.051 1.00 0.00 O ATOM 1394 CB VAL A 92 -0.855 -6.636 -14.126 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.457 -6.639 -15.533 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.270 -5.254 -13.827 1.00 0.00 C ATOM 0 H VAL A 92 -0.332 -7.093 -11.762 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.662 -6.139 -13.064 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.067 -7.387 -14.066 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.680 -6.409 -16.262 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.876 -7.622 -15.747 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.245 -5.888 -15.593 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.507 -5.022 -14.555 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.059 -4.504 -13.887 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.159 -5.250 -12.825 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.048 -9.375 -13.274 1.00 0.00 N ATOM 1407 CA LEU A 93 -2.649 -10.657 -13.627 1.00 0.00 C ATOM 1408 C LEU A 93 -3.937 -10.878 -12.842 1.00 0.00 C ATOM 1409 O LEU A 93 -4.893 -11.463 -13.352 1.00 0.00 O ATOM 1410 CB LEU A 93 -1.668 -11.794 -13.331 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.365 -11.566 -14.102 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.592 -12.731 -13.844 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -0.664 -11.482 -15.602 1.00 0.00 C ATOM 0 H LEU A 93 -1.130 -9.442 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.882 -10.647 -14.692 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.465 -11.843 -12.261 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.108 -12.750 -13.616 1.00 0.00 H new ATOM 0 HG LEU A 93 0.093 -10.635 -13.768 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.519 -12.568 -14.393 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.808 -12.795 -12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.131 -13.661 -14.177 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.264 -11.320 -16.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.123 -12.413 -15.934 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.346 -10.653 -15.791 1.00 0.00 H new ATOM 1425 N THR A 94 -3.956 -10.411 -11.598 1.00 0.00 N ATOM 1426 CA THR A 94 -5.133 -10.567 -10.753 1.00 0.00 C ATOM 1427 C THR A 94 -6.353 -9.928 -11.406 1.00 0.00 C ATOM 1428 O THR A 94 -7.452 -10.482 -11.366 1.00 0.00 O ATOM 1429 CB THR A 94 -4.885 -9.918 -9.388 1.00 0.00 C ATOM 1430 OG1 THR A 94 -3.699 -10.457 -8.819 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.070 -10.199 -8.464 1.00 0.00 C ATOM 0 H THR A 94 -3.176 -9.925 -11.156 1.00 0.00 H new ATOM 0 HA THR A 94 -5.323 -11.632 -10.622 1.00 0.00 H new ATOM 0 HB THR A 94 -4.773 -8.841 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.920 -10.126 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.892 -9.737 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.979 -9.786 -8.902 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.185 -11.275 -8.337 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.154 -8.760 -12.009 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.248 -8.057 -12.669 1.00 0.00 C ATOM 1441 C LEU A 95 -7.816 -8.898 -13.807 1.00 0.00 C ATOM 1442 O LEU A 95 -9.025 -8.909 -14.042 1.00 0.00 O ATOM 1443 CB LEU A 95 -6.754 -6.718 -13.221 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.159 -5.881 -12.086 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -5.715 -4.523 -12.632 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.215 -5.667 -10.998 1.00 0.00 C ATOM 0 H LEU A 95 -5.253 -8.284 -12.054 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.034 -7.879 -11.935 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.004 -6.887 -13.994 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.578 -6.180 -13.689 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.301 -6.404 -11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.291 -3.927 -11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.963 -4.671 -13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.574 -4.002 -13.055 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.790 -5.071 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.073 -5.145 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.535 -6.633 -10.606 1.00 0.00 H new ATOM 1458 N GLN A 96 -6.938 -9.604 -14.511 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.365 -10.445 -15.623 1.00 0.00 C ATOM 1460 C GLN A 96 -8.326 -11.525 -15.138 1.00 0.00 C ATOM 1461 O GLN A 96 -9.281 -11.877 -15.830 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.147 -11.099 -16.280 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.256 -10.019 -16.895 1.00 0.00 C ATOM 1464 CD GLN A 96 -4.010 -10.655 -17.501 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -3.704 -11.814 -17.218 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -3.267 -9.962 -18.319 1.00 0.00 N ATOM 0 H GLN A 96 -5.934 -9.611 -14.333 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.878 -9.819 -16.353 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.586 -11.671 -15.541 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.469 -11.801 -17.049 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.807 -9.475 -17.662 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.970 -9.294 -16.133 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.523 -9.002 -18.552 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.430 -10.380 -18.726 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.065 -12.048 -13.943 1.00 0.00 N ATOM 1476 CA GLU A 97 -8.913 -13.088 -13.373 1.00 0.00 C ATOM 1477 C GLU A 97 -10.320 -12.558 -13.117 1.00 0.00 C ATOM 1478 O GLU A 97 -11.302 -13.294 -13.226 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.309 -13.593 -12.061 1.00 0.00 C ATOM 1480 CG GLU A 97 -6.967 -14.271 -12.343 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.389 -14.841 -11.053 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -6.936 -14.549 -10.002 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -5.406 -15.560 -11.134 1.00 0.00 O ATOM 0 H GLU A 97 -7.279 -11.771 -13.355 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.974 -13.910 -14.086 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.170 -12.762 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.990 -14.296 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.100 -15.068 -13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.271 -13.553 -12.776 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.410 -11.278 -12.772 1.00 0.00 N ATOM 1491 CA LEU A 98 -11.701 -10.659 -12.497 1.00 0.00 C ATOM 1492 C LEU A 98 -12.360 -10.189 -13.790 1.00 0.00 C ATOM 1493 O LEU A 98 -13.469 -9.654 -13.772 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.520 -9.468 -11.552 1.00 0.00 C ATOM 1495 CG LEU A 98 -10.792 -9.924 -10.285 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -10.684 -8.752 -9.308 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -11.576 -11.061 -9.625 1.00 0.00 C ATOM 0 H LEU A 98 -9.610 -10.653 -12.677 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.344 -11.403 -12.026 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.951 -8.681 -12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.491 -9.045 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.794 -10.274 -10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.166 -9.077 -8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.126 -7.940 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.683 -8.403 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.057 -11.385 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.574 -10.710 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.656 -11.898 -10.318 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.675 -10.394 -14.909 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.210 -9.986 -16.203 1.00 0.00 C ATOM 1511 C ASN A 99 -12.465 -8.482 -16.227 1.00 0.00 C ATOM 1512 O ASN A 99 -13.564 -8.033 -16.556 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.516 -10.730 -16.488 1.00 0.00 C ATOM 1514 CG ASN A 99 -13.823 -10.686 -17.981 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -12.928 -10.451 -18.793 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.042 -10.901 -18.393 1.00 0.00 N ATOM 0 H ASN A 99 -10.757 -10.836 -14.947 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.477 -10.232 -16.971 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.435 -11.765 -16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.333 -10.277 -15.926 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.255 -10.875 -19.390 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.782 -11.095 -17.718 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.443 -7.708 -15.876 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.567 -6.256 -15.859 1.00 0.00 C ATOM 1525 C VAL A 100 -11.113 -5.670 -17.192 1.00 0.00 C ATOM 1526 O VAL A 100 -10.107 -6.097 -17.759 1.00 0.00 O ATOM 1527 CB VAL A 100 -10.717 -5.674 -14.727 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -10.944 -4.164 -14.638 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.119 -6.327 -13.402 1.00 0.00 C ATOM 0 H VAL A 100 -10.526 -8.060 -15.601 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.613 -5.997 -15.696 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.664 -5.871 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.338 -3.752 -13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.659 -3.697 -15.581 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.997 -3.966 -14.438 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.515 -5.914 -12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.173 -6.130 -13.204 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.956 -7.403 -13.463 1.00 0.00 H new ATOM 1539 N SER A 101 -11.866 -4.695 -17.693 1.00 0.00 N ATOM 1540 CA SER A 101 -11.535 -4.064 -18.964 1.00 0.00 C ATOM 1541 C SER A 101 -10.109 -3.524 -18.941 1.00 0.00 C ATOM 1542 O SER A 101 -9.641 -3.020 -17.920 1.00 0.00 O ATOM 1543 CB SER A 101 -12.511 -2.924 -19.252 1.00 0.00 C ATOM 1544 OG SER A 101 -12.229 -2.376 -20.533 1.00 0.00 O ATOM 0 H SER A 101 -12.703 -4.328 -17.241 1.00 0.00 H new ATOM 0 HA SER A 101 -11.613 -4.815 -19.750 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.537 -3.291 -19.219 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.423 -2.153 -18.487 1.00 0.00 H new ATOM 0 HG SER A 101 -12.855 -1.646 -20.721 1.00 0.00 H new ATOM 1550 N GLN A 102 -9.423 -3.639 -20.072 1.00 0.00 N ATOM 1551 CA GLN A 102 -8.047 -3.168 -20.177 1.00 0.00 C ATOM 1552 C GLN A 102 -7.951 -1.685 -19.829 1.00 0.00 C ATOM 1553 O GLN A 102 -6.978 -1.247 -19.216 1.00 0.00 O ATOM 1554 CB GLN A 102 -7.528 -3.394 -21.599 1.00 0.00 C ATOM 1555 CG GLN A 102 -6.026 -3.107 -21.645 1.00 0.00 C ATOM 1556 CD GLN A 102 -5.260 -4.225 -20.947 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -5.278 -5.369 -21.402 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -4.585 -3.963 -19.862 1.00 0.00 N ATOM 0 H GLN A 102 -9.795 -4.053 -20.927 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.438 -3.731 -19.470 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.723 -4.420 -21.910 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -8.055 -2.744 -22.298 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.696 -3.020 -22.680 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.815 -2.153 -21.161 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.571 -3.015 -19.486 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.071 -4.706 -19.389 1.00 0.00 H new ATOM 1567 N ASP A 103 -8.958 -0.915 -20.229 1.00 0.00 N ATOM 1568 CA ASP A 103 -8.958 0.517 -19.954 1.00 0.00 C ATOM 1569 C ASP A 103 -8.829 0.780 -18.457 1.00 0.00 C ATOM 1570 O ASP A 103 -8.079 1.660 -18.035 1.00 0.00 O ATOM 1571 CB ASP A 103 -10.252 1.148 -20.474 1.00 0.00 C ATOM 1572 CG ASP A 103 -10.277 1.103 -21.997 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -9.246 0.804 -22.579 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -11.326 1.368 -22.561 1.00 0.00 O ATOM 0 H ASP A 103 -9.775 -1.253 -20.738 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.104 0.963 -20.463 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.114 0.615 -20.072 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.327 2.180 -20.131 1.00 0.00 H new ATOM 1579 N LEU A 104 -9.558 0.008 -17.656 1.00 0.00 N ATOM 1580 CA LEU A 104 -9.504 0.169 -16.207 1.00 0.00 C ATOM 1581 C LEU A 104 -8.134 -0.238 -15.677 1.00 0.00 C ATOM 1582 O LEU A 104 -7.600 0.386 -14.760 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.588 -0.683 -15.543 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.967 -0.248 -16.047 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -13.048 -1.096 -15.374 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -12.196 1.226 -15.702 1.00 0.00 C ATOM 0 H LEU A 104 -10.186 -0.727 -17.981 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.676 1.219 -15.969 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.424 -1.737 -15.767 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.536 -0.576 -14.460 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.015 -0.383 -17.128 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.029 -0.786 -15.733 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.889 -2.147 -15.615 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.997 -0.960 -14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.178 1.535 -16.061 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.146 1.359 -14.621 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.427 1.835 -16.178 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.569 -1.289 -16.264 1.00 0.00 N ATOM 1599 CA ILE A 105 -6.258 -1.772 -15.845 1.00 0.00 C ATOM 1600 C ILE A 105 -5.196 -0.703 -16.075 1.00 0.00 C ATOM 1601 O ILE A 105 -4.292 -0.525 -15.257 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.892 -3.035 -16.627 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.936 -4.120 -16.355 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.515 -3.531 -16.180 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.655 -5.334 -17.243 1.00 0.00 C ATOM 0 H ILE A 105 -7.994 -1.819 -17.025 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.300 -2.004 -14.781 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.868 -2.809 -17.693 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.909 -4.410 -15.305 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.936 -3.735 -16.553 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.254 -4.431 -16.737 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.770 -2.758 -16.370 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.538 -3.758 -15.114 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.399 -6.107 -17.049 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.704 -5.038 -18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.661 -5.724 -17.023 1.00 0.00 H new ATOM 1617 N ASP A 106 -5.310 0.005 -17.194 1.00 0.00 N ATOM 1618 CA ASP A 106 -4.354 1.055 -17.523 1.00 0.00 C ATOM 1619 C ASP A 106 -4.319 2.113 -16.426 1.00 0.00 C ATOM 1620 O ASP A 106 -3.257 2.634 -16.085 1.00 0.00 O ATOM 1621 CB ASP A 106 -4.732 1.708 -18.854 1.00 0.00 C ATOM 1622 CG ASP A 106 -4.557 0.708 -19.992 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -3.956 -0.327 -19.759 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -5.028 0.994 -21.081 1.00 0.00 O ATOM 0 H ASP A 106 -6.050 -0.128 -17.884 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.365 0.605 -17.608 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.765 2.054 -18.819 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.108 2.584 -19.029 1.00 0.00 H new ATOM 1629 N GLU A 107 -5.488 2.428 -15.875 1.00 0.00 N ATOM 1630 CA GLU A 107 -5.576 3.427 -14.817 1.00 0.00 C ATOM 1631 C GLU A 107 -4.801 2.968 -13.586 1.00 0.00 C ATOM 1632 O GLU A 107 -4.157 3.771 -12.911 1.00 0.00 O ATOM 1633 CB GLU A 107 -7.040 3.662 -14.442 1.00 0.00 C ATOM 1634 CG GLU A 107 -7.783 4.262 -15.637 1.00 0.00 C ATOM 1635 CD GLU A 107 -9.227 4.564 -15.253 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -9.631 4.159 -14.175 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -9.909 5.198 -16.042 1.00 0.00 O ATOM 0 H GLU A 107 -6.379 2.010 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.141 4.358 -15.182 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.506 2.722 -14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.104 4.334 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.286 5.175 -15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.759 3.568 -16.477 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.866 1.671 -13.303 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.163 1.114 -12.155 1.00 0.00 C ATOM 1646 C VAL A 108 -2.653 1.229 -12.343 1.00 0.00 C ATOM 1647 O VAL A 108 -1.921 1.529 -11.401 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.545 -0.355 -11.968 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -3.674 -0.976 -10.875 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.017 -0.449 -11.558 1.00 0.00 C ATOM 0 H VAL A 108 -5.395 0.991 -13.849 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.452 1.679 -11.269 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.390 -0.892 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.947 -2.023 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.625 -0.909 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.828 -0.440 -9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.291 -1.495 -11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.169 0.089 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.640 -0.007 -12.335 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.198 0.985 -13.568 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.775 1.060 -13.873 1.00 0.00 C ATOM 1662 C VAL A 109 -0.243 2.469 -13.629 1.00 0.00 C ATOM 1663 O VAL A 109 0.852 2.645 -13.095 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.532 0.667 -15.331 1.00 0.00 C ATOM 1665 CG1 VAL A 109 0.934 0.917 -15.692 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.857 -0.816 -15.520 1.00 0.00 C ATOM 0 H VAL A 109 -2.790 0.735 -14.360 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.248 0.368 -13.216 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.172 1.266 -15.979 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.106 0.637 -16.731 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.167 1.973 -15.558 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.575 0.319 -15.044 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.684 -1.097 -16.559 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.217 -1.414 -14.871 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.901 -0.995 -15.265 1.00 0.00 H new ATOM 1676 N THR A 110 -1.021 3.470 -14.026 1.00 0.00 N ATOM 1677 CA THR A 110 -0.611 4.857 -13.844 1.00 0.00 C ATOM 1678 C THR A 110 -0.452 5.183 -12.360 1.00 0.00 C ATOM 1679 O THR A 110 0.511 5.836 -11.958 1.00 0.00 O ATOM 1680 CB THR A 110 -1.651 5.795 -14.463 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.859 5.436 -15.821 1.00 0.00 O ATOM 1682 CG2 THR A 110 -1.150 7.238 -14.385 1.00 0.00 C ATOM 0 H THR A 110 -1.930 3.349 -14.472 1.00 0.00 H new ATOM 0 HA THR A 110 0.349 4.998 -14.340 1.00 0.00 H new ATOM 0 HB THR A 110 -2.590 5.710 -13.916 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.419 4.633 -15.865 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.891 7.905 -14.826 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.990 7.512 -13.342 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.211 7.327 -14.931 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.404 4.723 -11.554 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.361 4.971 -10.116 1.00 0.00 C ATOM 1692 C ILE A 111 -0.125 4.336 -9.487 1.00 0.00 C ATOM 1693 O ILE A 111 0.635 5.001 -8.782 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.626 4.418 -9.458 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.843 5.173 -9.999 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.538 4.598 -7.942 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.126 4.536 -9.463 1.00 0.00 C ATOM 0 H ILE A 111 -2.209 4.181 -11.868 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.308 6.048 -9.954 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.724 3.356 -9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.794 6.221 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.842 5.150 -11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.441 4.203 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.669 4.062 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.442 5.658 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.990 5.076 -9.850 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.176 3.495 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.128 4.582 -8.374 1.00 0.00 H new ATOM 1709 N VAL A 112 0.076 3.047 -9.748 1.00 0.00 N ATOM 1710 CA VAL A 112 1.231 2.341 -9.202 1.00 0.00 C ATOM 1711 C VAL A 112 2.481 2.660 -10.016 1.00 0.00 C ATOM 1712 O VAL A 112 3.603 2.547 -9.522 1.00 0.00 O ATOM 1713 CB VAL A 112 0.979 0.832 -9.211 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.300 0.523 -8.431 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.823 0.349 -10.654 1.00 0.00 C ATOM 0 H VAL A 112 -0.539 2.475 -10.328 1.00 0.00 H new ATOM 0 HA VAL A 112 1.385 2.671 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 112 1.822 0.321 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.479 -0.552 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.191 0.866 -7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.143 1.034 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.643 -0.726 -10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.019 0.860 -11.120 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.734 0.568 -11.211 1.00 0.00 H new ATOM 1725 N GLY A 113 2.274 3.059 -11.266 1.00 0.00 N ATOM 1726 CA GLY A 113 3.383 3.394 -12.150 1.00 0.00 C ATOM 1727 C GLY A 113 4.263 4.481 -11.542 1.00 0.00 C ATOM 1728 O GLY A 113 5.447 4.579 -11.858 1.00 0.00 O ATOM 0 H GLY A 113 1.351 3.158 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.981 2.503 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.996 3.731 -13.112 1.00 0.00 H new ATOM 1732 N SER A 114 3.675 5.300 -10.676 1.00 0.00 N ATOM 1733 CA SER A 114 4.420 6.381 -10.043 1.00 0.00 C ATOM 1734 C SER A 114 5.812 5.906 -9.640 1.00 0.00 C ATOM 1735 O SER A 114 5.960 4.992 -8.828 1.00 0.00 O ATOM 1736 CB SER A 114 3.670 6.879 -8.807 1.00 0.00 C ATOM 1737 OG SER A 114 2.427 7.440 -9.207 1.00 0.00 O ATOM 0 H SER A 114 2.695 5.237 -10.399 1.00 0.00 H new ATOM 0 HA SER A 114 4.520 7.197 -10.759 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.504 6.056 -8.112 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.266 7.625 -8.281 1.00 0.00 H new ATOM 0 HG SER A 114 1.720 6.768 -9.114 1.00 0.00 H new ATOM 1743 N VAL A 115 6.828 6.535 -10.219 1.00 0.00 N ATOM 1744 CA VAL A 115 8.211 6.178 -9.925 1.00 0.00 C ATOM 1745 C VAL A 115 8.571 6.524 -8.483 1.00 0.00 C ATOM 1746 O VAL A 115 9.368 5.831 -7.850 1.00 0.00 O ATOM 1747 CB VAL A 115 9.152 6.916 -10.879 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.603 6.665 -10.463 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.935 6.402 -12.304 1.00 0.00 C ATOM 0 H VAL A 115 6.721 7.293 -10.893 1.00 0.00 H new ATOM 0 HA VAL A 115 8.321 5.102 -10.060 1.00 0.00 H new ATOM 0 HB VAL A 115 8.944 7.985 -10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.273 7.191 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.758 7.029 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.813 5.596 -10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.604 6.926 -12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.144 5.333 -12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.902 6.580 -12.602 1.00 0.00 H new ATOM 1759 N GLN A 116 7.991 7.605 -7.974 1.00 0.00 N ATOM 1760 CA GLN A 116 8.274 8.037 -6.610 1.00 0.00 C ATOM 1761 C GLN A 116 8.092 6.887 -5.625 1.00 0.00 C ATOM 1762 O GLN A 116 8.921 6.682 -4.738 1.00 0.00 O ATOM 1763 CB GLN A 116 7.342 9.188 -6.226 1.00 0.00 C ATOM 1764 CG GLN A 116 7.782 9.776 -4.884 1.00 0.00 C ATOM 1765 CD GLN A 116 9.086 10.546 -5.057 1.00 0.00 C ATOM 1766 OE1 GLN A 116 9.256 11.266 -6.042 1.00 0.00 O ATOM 1767 NE2 GLN A 116 10.021 10.438 -4.154 1.00 0.00 N ATOM 0 H GLN A 116 7.328 8.193 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 116 9.310 8.372 -6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.362 9.959 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.314 8.831 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.008 10.438 -4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.915 8.978 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 116 9.877 9.841 -3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 116 10.896 10.951 -4.262 1.00 0.00 H new ATOM 1776 N HIS A 117 7.009 6.134 -5.785 1.00 0.00 N ATOM 1777 CA HIS A 117 6.744 5.006 -4.898 1.00 0.00 C ATOM 1778 C HIS A 117 7.809 3.928 -5.069 1.00 0.00 C ATOM 1779 O HIS A 117 8.332 3.396 -4.090 1.00 0.00 O ATOM 1780 CB HIS A 117 5.364 4.418 -5.192 1.00 0.00 C ATOM 1781 CG HIS A 117 5.049 3.349 -4.183 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.302 3.512 -2.831 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.485 2.104 -4.311 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.896 2.394 -2.202 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.386 1.499 -3.061 1.00 0.00 N ATOM 0 H HIS A 117 6.308 6.281 -6.511 1.00 0.00 H new ATOM 0 HA HIS A 117 6.770 5.365 -3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.608 5.202 -5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.342 4.001 -6.199 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.721 4.332 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.166 1.660 -5.242 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.972 2.237 -1.136 1.00 0.00 H new ATOM 1793 N ARG A 118 8.126 3.612 -6.321 1.00 0.00 N ATOM 1794 CA ARG A 118 9.131 2.596 -6.609 1.00 0.00 C ATOM 1795 C ARG A 118 10.470 2.977 -5.986 1.00 0.00 C ATOM 1796 O ARG A 118 11.149 2.142 -5.390 1.00 0.00 O ATOM 1797 CB ARG A 118 9.293 2.445 -8.123 1.00 0.00 C ATOM 1798 CG ARG A 118 10.240 1.283 -8.428 1.00 0.00 C ATOM 1799 CD ARG A 118 10.441 1.178 -9.941 1.00 0.00 C ATOM 1800 NE ARG A 118 11.214 -0.013 -10.269 1.00 0.00 N ATOM 1801 CZ ARG A 118 11.139 -0.570 -11.475 1.00 0.00 C ATOM 1802 NH1 ARG A 118 10.365 -0.047 -12.386 1.00 0.00 N ATOM 1803 NH2 ARG A 118 11.838 -1.636 -11.746 1.00 0.00 N ATOM 0 H ARG A 118 7.705 4.041 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 118 8.802 1.649 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.322 2.267 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.685 3.368 -8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.198 1.440 -7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.829 0.352 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.473 1.140 -10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.955 2.066 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 118 11.823 -0.426 -9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 118 9.819 0.788 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.306 -0.473 -13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.443 -2.044 -11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 118 11.780 -2.062 -12.671 1.00 0.00 H new ATOM 1817 N ASN A 119 10.840 4.247 -6.123 1.00 0.00 N ATOM 1818 CA ASN A 119 12.097 4.730 -5.564 1.00 0.00 C ATOM 1819 C ASN A 119 12.084 4.623 -4.043 1.00 0.00 C ATOM 1820 O ASN A 119 13.098 4.302 -3.423 1.00 0.00 O ATOM 1821 CB ASN A 119 12.326 6.186 -5.973 1.00 0.00 C ATOM 1822 CG ASN A 119 12.503 6.283 -7.484 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.750 5.275 -8.147 1.00 0.00 O ATOM 1824 ND2 ASN A 119 12.393 7.443 -8.070 1.00 0.00 N ATOM 0 H ASN A 119 10.292 4.955 -6.612 1.00 0.00 H new ATOM 0 HA ASN A 119 12.906 4.112 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.481 6.798 -5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.209 6.579 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.512 7.517 -9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.188 8.276 -7.518 1.00 0.00 H new ATOM 1831 N ASP A 120 10.928 4.899 -3.447 1.00 0.00 N ATOM 1832 CA ASP A 120 10.793 4.835 -1.998 1.00 0.00 C ATOM 1833 C ASP A 120 11.110 3.433 -1.486 1.00 0.00 C ATOM 1834 O ASP A 120 11.747 3.272 -0.445 1.00 0.00 O ATOM 1835 CB ASP A 120 9.371 5.221 -1.588 1.00 0.00 C ATOM 1836 CG ASP A 120 9.124 6.696 -1.888 1.00 0.00 C ATOM 1837 OD1 ASP A 120 10.088 7.396 -2.149 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.974 7.104 -1.852 1.00 0.00 O ATOM 0 H ASP A 120 10.077 5.167 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 120 11.502 5.536 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.649 4.606 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.225 5.028 -0.525 1.00 0.00 H new ATOM 1843 N VAL A 121 10.662 2.423 -2.225 1.00 0.00 N ATOM 1844 CA VAL A 121 10.907 1.040 -1.833 1.00 0.00 C ATOM 1845 C VAL A 121 12.404 0.746 -1.828 1.00 0.00 C ATOM 1846 O VAL A 121 12.920 0.115 -0.906 1.00 0.00 O ATOM 1847 CB VAL A 121 10.199 0.092 -2.801 1.00 0.00 C ATOM 1848 CG1 VAL A 121 10.592 -1.350 -2.483 1.00 0.00 C ATOM 1849 CG2 VAL A 121 8.684 0.251 -2.653 1.00 0.00 C ATOM 0 H VAL A 121 10.133 2.534 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 121 10.515 0.888 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 121 10.493 0.331 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.087 -2.025 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.671 -1.465 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.299 -1.590 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.178 -0.425 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.391 0.012 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.402 1.279 -2.880 1.00 0.00 H new ATOM 1859 N LEU A 122 13.093 1.214 -2.863 1.00 0.00 N ATOM 1860 CA LEU A 122 14.533 1.006 -2.972 1.00 0.00 C ATOM 1861 C LEU A 122 15.280 1.926 -2.012 1.00 0.00 C ATOM 1862 O LEU A 122 16.459 1.717 -1.730 1.00 0.00 O ATOM 1863 CB LEU A 122 14.994 1.272 -4.406 1.00 0.00 C ATOM 1864 CG LEU A 122 14.219 0.372 -5.373 1.00 0.00 C ATOM 1865 CD1 LEU A 122 14.739 0.585 -6.796 1.00 0.00 C ATOM 1866 CD2 LEU A 122 14.417 -1.095 -4.978 1.00 0.00 C ATOM 0 H LEU A 122 12.681 1.737 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 122 14.753 -0.029 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.834 2.319 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.064 1.082 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 122 13.159 0.623 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 122 14.188 -0.055 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.601 1.628 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.799 0.334 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.865 -1.735 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.477 -1.344 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.050 -1.252 -3.964 1.00 0.00 H new ATOM 1878 N ASN A 123 14.584 2.948 -1.521 1.00 0.00 N ATOM 1879 CA ASN A 123 15.184 3.904 -0.597 1.00 0.00 C ATOM 1880 C ASN A 123 16.370 4.608 -1.250 1.00 0.00 C ATOM 1881 O ASN A 123 17.424 4.771 -0.637 1.00 0.00 O ATOM 1882 CB ASN A 123 15.647 3.192 0.676 1.00 0.00 C ATOM 1883 CG ASN A 123 14.463 2.503 1.347 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.333 2.983 1.258 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.656 1.402 2.020 1.00 0.00 N ATOM 0 H ASN A 123 13.607 3.135 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 123 14.430 4.648 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.416 2.458 0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.097 3.910 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.870 0.937 2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.593 1.006 2.092 1.00 0.00 H new ATOM 1892 N ARG A 124 16.185 5.025 -2.499 1.00 0.00 N ATOM 1893 CA ARG A 124 17.241 5.714 -3.230 1.00 0.00 C ATOM 1894 C ARG A 124 17.094 7.225 -3.086 1.00 0.00 C ATOM 1895 O ARG A 124 15.970 7.697 -3.122 1.00 0.00 O ATOM 1896 CB ARG A 124 17.186 5.332 -4.711 1.00 0.00 C ATOM 1897 CG ARG A 124 17.561 3.858 -4.874 1.00 0.00 C ATOM 1898 CD ARG A 124 17.500 3.476 -6.353 1.00 0.00 C ATOM 1899 NE ARG A 124 18.544 4.171 -7.098 1.00 0.00 N ATOM 1900 CZ ARG A 124 19.825 3.846 -6.953 1.00 0.00 C ATOM 1901 NH1 ARG A 124 20.167 2.892 -6.131 1.00 0.00 N ATOM 1902 NH2 ARG A 124 20.739 4.482 -7.633 1.00 0.00 N ATOM 1903 OXT ARG A 124 18.108 7.889 -2.943 1.00 0.00 O ATOM 0 H ARG A 124 15.319 4.898 -3.023 1.00 0.00 H new ATOM 0 HA ARG A 124 18.202 5.413 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.186 5.509 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.870 5.958 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.563 3.681 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.879 3.233 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 124 17.621 2.398 -6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 124 16.522 3.730 -6.761 1.00 0.00 H new ATOM 0 HE ARG A 124 18.287 4.919 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 124 19.452 2.396 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 124 21.150 2.643 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 124 20.470 5.228 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 124 21.722 4.234 -7.523 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.896 -2.201 2.258 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.488 -2.296 5.618 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.893 0.516 2.089 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.318 -2.109 -1.102 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.883 -4.938 2.423 1.00 0.00 C HETATM 1923 NA HEB A 125 3.906 -1.126 3.565 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.839 -1.296 4.932 1.00 0.00 C HETATM 1925 C2A HEB A 125 2.999 -0.291 5.552 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.556 0.507 4.542 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.118 -0.022 3.328 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.682 1.719 4.646 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.682 -0.167 7.011 1.00 0.00 C HETATM 1930 CBA HEB A 125 3.701 0.699 7.756 1.00 0.00 C HETATM 1931 CGA HEB A 125 3.521 0.540 9.262 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.958 -0.462 9.668 1.00 0.00 O HETATM 1933 O2A HEB A 125 3.953 1.422 9.987 1.00 0.00 O HETATM 1934 NB HEB A 125 4.248 -1.045 0.812 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.413 0.045 0.913 1.00 0.00 C HETATM 1936 C2B HEB A 125 3.151 0.639 -0.370 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.832 -0.086 -1.286 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.515 -1.137 -0.545 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.297 1.829 -0.637 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.827 0.154 -2.766 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.418 0.080 -3.354 1.00 0.00 C HETATM 1942 NC HEB A 125 5.879 -3.280 0.955 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.954 -3.104 -0.409 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.783 -4.107 -1.026 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.223 -4.907 -0.032 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.661 -4.390 1.188 1.00 0.00 C HETATM 1947 CMC HEB A 125 7.094 -4.235 -2.478 1.00 0.00 C HETATM 1948 CAC HEB A 125 8.053 -6.002 -0.159 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.666 -7.108 -0.888 1.00 0.00 C HETATM 1950 ND HEB A 125 5.544 -3.360 3.702 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.367 -4.465 3.602 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.617 -5.057 4.896 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.936 -4.310 5.797 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.280 -3.262 5.051 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.465 -6.254 5.186 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.864 -4.535 7.271 1.00 0.00 C HETATM 1957 CBD HEB A 125 6.849 -3.653 8.043 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.272 -3.301 9.410 1.00 0.00 C HETATM 1959 O1D HEB A 125 5.566 -2.310 9.495 1.00 0.00 O HETATM 1960 O2D HEB A 125 6.547 -4.025 10.352 1.00 0.00 O HETATM 0 HMD3 HEB A 125 7.070 -7.118 4.652 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.488 -6.063 4.861 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.457 -6.455 6.257 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 6.169 -4.376 -3.037 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.593 -3.330 -2.824 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.748 -5.093 -2.636 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.279 1.629 -0.301 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.694 2.690 -0.099 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.291 2.040 -1.706 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.727 1.442 5.093 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 2.171 2.467 5.270 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.511 2.131 3.651 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 7.799 -4.173 8.163 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 7.053 -2.742 7.480 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.335 -7.964 -0.977 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.691 -7.126 -1.375 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.998 -0.909 -3.169 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.788 0.836 -2.885 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.462 0.260 -4.428 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 4.713 0.411 7.470 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 3.576 1.745 7.475 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 4.851 -4.333 7.618 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.072 -5.583 7.487 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 1.688 0.263 7.129 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.655 -1.160 7.460 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.521 -5.821 2.473 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.458 -2.083 -2.183 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.246 1.392 2.034 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.363 -2.323 6.700 1.00 0.00 H new HETATM 0 HAC HEB A 125 9.030 -5.993 0.324 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.463 -0.584 -3.255 1.00 0.00 H new