USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=18 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 96 GLN : amide:sc= -4.91! K(o=-12!,f=-3.9) USER MOD Set 1.2: A 102 GLN : amide:sc= -6.89! C(o=-12!,f=-3.9!) USER MOD Set 2.1: A 80 THR OG1 : rot -3:sc= -1.51! USER MOD Set 2.2: A 83 HIS : no HD1:sc= 1.5 K(o=-0.014,f=-11!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0.11 (180deg=0.0843) USER MOD Single : A 32 ASN : amide:sc= -0.974 K(o=-0.97,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc=-1.68e-05 K(o=-1.7e-05,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.282 (180deg=-0.847) USER MOD Single : A 43 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.024) 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=-0.0032) USER MOD Single : A 47 GLN : amide:sc= -9.1! C(o=-9.1!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= -1.4 (180deg=-1.99) USER MOD Single : A 51 MET CE :methyl -153:sc= -0.15 (180deg=-0.942) USER MOD Single : A 52 THR OG1 : rot 79:sc= 1.25 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 USER MOD Single : A 66 MET CE :methyl 165:sc= -1.89 (180deg=-2.85!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 90 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.6!) USER MOD Single : A 94 THR OG1 : rot 74:sc= 0.487 USER MOD Single : A 99 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 84:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -1.03 K(o=-1,f=-1.9!) USER MOD Single : A 123 ASN : amide:sc= -4.2! C(o=-4.2!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.243 6.535 1.891 1.00 0.00 N ATOM 2 CA ALA A 2 -12.825 6.385 1.455 1.00 0.00 C ATOM 3 C ALA A 2 -12.367 4.953 1.706 1.00 0.00 C ATOM 4 O ALA A 2 -11.195 4.707 1.992 1.00 0.00 O ATOM 5 CB ALA A 2 -11.947 7.360 2.242 1.00 0.00 C ATOM 0 HA ALA A 2 -12.741 6.606 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.910 7.252 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.279 8.381 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.026 7.142 3.307 1.00 0.00 H new ATOM 13 N SER A 3 -13.299 4.010 1.597 1.00 0.00 N ATOM 14 CA SER A 3 -12.976 2.604 1.815 1.00 0.00 C ATOM 15 C SER A 3 -13.281 1.781 0.566 1.00 0.00 C ATOM 16 O SER A 3 -14.186 2.109 -0.200 1.00 0.00 O ATOM 17 CB SER A 3 -13.784 2.060 2.994 1.00 0.00 C ATOM 18 OG SER A 3 -15.168 2.098 2.671 1.00 0.00 O ATOM 0 H SER A 3 -14.275 4.192 1.361 1.00 0.00 H new ATOM 0 HA SER A 3 -11.911 2.527 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.479 1.038 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.591 2.654 3.887 1.00 0.00 H new ATOM 0 HG SER A 3 -15.689 1.748 3.424 1.00 0.00 H new ATOM 24 N LEU A 4 -12.518 0.710 0.373 1.00 0.00 N ATOM 25 CA LEU A 4 -12.710 -0.159 -0.783 1.00 0.00 C ATOM 26 C LEU A 4 -14.105 -0.778 -0.766 1.00 0.00 C ATOM 27 O LEU A 4 -14.712 -0.996 -1.815 1.00 0.00 O ATOM 28 CB LEU A 4 -11.658 -1.271 -0.779 1.00 0.00 C ATOM 29 CG LEU A 4 -11.770 -2.090 -2.069 1.00 0.00 C ATOM 30 CD1 LEU A 4 -11.346 -1.235 -3.265 1.00 0.00 C ATOM 31 CD2 LEU A 4 -10.858 -3.315 -1.972 1.00 0.00 C ATOM 0 H LEU A 4 -11.765 0.424 0.998 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.603 0.442 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.660 -0.841 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.801 -1.917 0.087 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.803 -2.410 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.428 -1.823 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.994 -0.362 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.314 -0.911 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.936 -3.900 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.826 -2.991 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.161 -3.928 -1.124 1.00 0.00 H new ATOM 43 N TYR A 5 -14.602 -1.066 0.433 1.00 0.00 N ATOM 44 CA TYR A 5 -15.923 -1.669 0.582 1.00 0.00 C ATOM 45 C TYR A 5 -16.988 -0.873 -0.165 1.00 0.00 C ATOM 46 O TYR A 5 -17.866 -1.450 -0.806 1.00 0.00 O ATOM 47 CB TYR A 5 -16.289 -1.746 2.065 1.00 0.00 C ATOM 48 CG TYR A 5 -17.781 -1.945 2.215 1.00 0.00 C ATOM 49 CD1 TYR A 5 -18.444 -2.928 1.469 1.00 0.00 C ATOM 50 CD2 TYR A 5 -18.502 -1.136 3.102 1.00 0.00 C ATOM 51 CE1 TYR A 5 -19.826 -3.101 1.613 1.00 0.00 C ATOM 52 CE2 TYR A 5 -19.883 -1.310 3.244 1.00 0.00 C ATOM 53 CZ TYR A 5 -20.546 -2.291 2.499 1.00 0.00 C ATOM 54 OH TYR A 5 -21.907 -2.463 2.640 1.00 0.00 O ATOM 0 H TYR A 5 -14.113 -0.893 1.311 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.886 -2.671 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -15.754 -2.569 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -15.982 -0.832 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -17.890 -3.552 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -17.992 -0.377 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -20.337 -3.860 1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -20.438 -0.686 3.929 1.00 0.00 H new ATOM 0 HH TYR A 5 -22.252 -1.821 3.295 1.00 0.00 H new ATOM 64 N GLU A 6 -16.913 0.449 -0.077 1.00 0.00 N ATOM 65 CA GLU A 6 -17.890 1.297 -0.749 1.00 0.00 C ATOM 66 C GLU A 6 -17.731 1.214 -2.267 1.00 0.00 C ATOM 67 O GLU A 6 -18.706 1.345 -3.007 1.00 0.00 O ATOM 68 CB GLU A 6 -17.739 2.750 -0.276 1.00 0.00 C ATOM 69 CG GLU A 6 -16.777 3.515 -1.191 1.00 0.00 C ATOM 70 CD GLU A 6 -17.499 3.974 -2.455 1.00 0.00 C ATOM 71 OE1 GLU A 6 -18.702 4.165 -2.391 1.00 0.00 O ATOM 72 OE2 GLU A 6 -16.838 4.127 -3.469 1.00 0.00 O ATOM 0 H GLU A 6 -16.196 0.952 0.446 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.888 0.942 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.713 3.240 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.368 2.768 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.371 4.378 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.934 2.878 -1.457 1.00 0.00 H new ATOM 79 N LYS A 7 -16.502 1.002 -2.725 1.00 0.00 N ATOM 80 CA LYS A 7 -16.238 0.914 -4.158 1.00 0.00 C ATOM 81 C LYS A 7 -16.927 -0.307 -4.765 1.00 0.00 C ATOM 82 O LYS A 7 -17.681 -0.187 -5.730 1.00 0.00 O ATOM 83 CB LYS A 7 -14.726 0.827 -4.397 1.00 0.00 C ATOM 84 CG LYS A 7 -14.418 0.887 -5.900 1.00 0.00 C ATOM 85 CD LYS A 7 -14.471 2.338 -6.387 1.00 0.00 C ATOM 86 CE LYS A 7 -13.927 2.418 -7.815 1.00 0.00 C ATOM 87 NZ LYS A 7 -13.573 3.831 -8.132 1.00 0.00 N ATOM 0 H LYS A 7 -15.680 0.889 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.636 1.807 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.222 1.646 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.338 -0.100 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.432 0.465 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.138 0.283 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.497 2.706 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.884 2.976 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.049 1.780 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.672 2.051 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.203 3.887 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.421 4.428 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.848 4.165 -7.465 1.00 0.00 H new ATOM 101 N LEU A 8 -16.659 -1.478 -4.198 1.00 0.00 N ATOM 102 CA LEU A 8 -17.257 -2.713 -4.698 1.00 0.00 C ATOM 103 C LEU A 8 -18.744 -2.775 -4.361 1.00 0.00 C ATOM 104 O LEU A 8 -19.549 -3.264 -5.152 1.00 0.00 O ATOM 105 CB LEU A 8 -16.540 -3.925 -4.097 1.00 0.00 C ATOM 106 CG LEU A 8 -15.048 -3.865 -4.436 1.00 0.00 C ATOM 107 CD1 LEU A 8 -14.351 -5.113 -3.896 1.00 0.00 C ATOM 108 CD2 LEU A 8 -14.868 -3.807 -5.956 1.00 0.00 C ATOM 0 H LEU A 8 -16.037 -1.599 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.147 -2.728 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.676 -3.941 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.974 -4.846 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.612 -2.975 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.289 -5.070 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.475 -5.160 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.791 -6.001 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.805 -3.764 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.306 -4.696 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.364 -2.919 -6.347 1.00 0.00 H new ATOM 120 N GLY A 9 -19.099 -2.278 -3.181 1.00 0.00 N ATOM 121 CA GLY A 9 -20.494 -2.286 -2.751 1.00 0.00 C ATOM 122 C GLY A 9 -20.820 -3.564 -1.983 1.00 0.00 C ATOM 123 O GLY A 9 -21.972 -3.808 -1.625 1.00 0.00 O ATOM 0 H GLY A 9 -18.448 -1.868 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.689 -1.418 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.147 -2.202 -3.620 1.00 0.00 H new ATOM 127 N GLY A 10 -19.796 -4.378 -1.733 1.00 0.00 N ATOM 128 CA GLY A 10 -19.986 -5.628 -1.007 1.00 0.00 C ATOM 129 C GLY A 10 -18.783 -5.926 -0.117 1.00 0.00 C ATOM 130 O GLY A 10 -17.715 -6.294 -0.605 1.00 0.00 O ATOM 0 H GLY A 10 -18.835 -4.195 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.888 -5.567 -0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.133 -6.445 -1.713 1.00 0.00 H new ATOM 134 N ALA A 11 -18.963 -5.761 1.190 1.00 0.00 N ATOM 135 CA ALA A 11 -17.884 -6.012 2.137 1.00 0.00 C ATOM 136 C ALA A 11 -17.503 -7.489 2.150 1.00 0.00 C ATOM 137 O ALA A 11 -16.326 -7.835 2.243 1.00 0.00 O ATOM 138 CB ALA A 11 -18.313 -5.584 3.542 1.00 0.00 C ATOM 0 H ALA A 11 -19.839 -5.457 1.614 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.016 -5.431 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.501 -5.775 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.550 -4.520 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.194 -6.152 3.842 1.00 0.00 H new ATOM 144 N ALA A 12 -18.506 -8.356 2.061 1.00 0.00 N ATOM 145 CA ALA A 12 -18.261 -9.794 2.067 1.00 0.00 C ATOM 146 C ALA A 12 -17.469 -10.215 0.834 1.00 0.00 C ATOM 147 O ALA A 12 -16.570 -11.051 0.918 1.00 0.00 O ATOM 148 CB ALA A 12 -19.591 -10.550 2.101 1.00 0.00 C ATOM 0 H ALA A 12 -19.488 -8.092 1.984 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.679 -10.036 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.400 -11.623 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.142 -10.276 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.180 -10.290 1.221 1.00 0.00 H new ATOM 154 N ALA A 13 -17.808 -9.631 -0.311 1.00 0.00 N ATOM 155 CA ALA A 13 -17.122 -9.956 -1.557 1.00 0.00 C ATOM 156 C ALA A 13 -15.659 -9.527 -1.497 1.00 0.00 C ATOM 157 O ALA A 13 -14.795 -10.143 -2.121 1.00 0.00 O ATOM 158 CB ALA A 13 -17.812 -9.256 -2.729 1.00 0.00 C ATOM 0 H ALA A 13 -18.548 -8.935 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.164 -11.036 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.295 -9.503 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.848 -9.588 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.786 -8.177 -2.575 1.00 0.00 H new ATOM 164 N VAL A 14 -15.389 -8.462 -0.749 1.00 0.00 N ATOM 165 CA VAL A 14 -14.028 -7.954 -0.621 1.00 0.00 C ATOM 166 C VAL A 14 -13.107 -9.003 -0.006 1.00 0.00 C ATOM 167 O VAL A 14 -11.963 -9.165 -0.433 1.00 0.00 O ATOM 168 CB VAL A 14 -14.021 -6.699 0.252 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.579 -6.252 0.492 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.791 -5.581 -0.454 1.00 0.00 C ATOM 0 H VAL A 14 -16.090 -7.937 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.662 -7.712 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.496 -6.920 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.574 -5.357 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.031 -7.048 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.103 -6.032 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.786 -4.686 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.317 -5.360 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.820 -5.899 -0.624 1.00 0.00 H new ATOM 180 N ASP A 15 -13.605 -9.708 1.005 1.00 0.00 N ATOM 181 CA ASP A 15 -12.809 -10.729 1.675 1.00 0.00 C ATOM 182 C ASP A 15 -12.351 -11.802 0.692 1.00 0.00 C ATOM 183 O ASP A 15 -11.208 -12.255 0.744 1.00 0.00 O ATOM 184 CB ASP A 15 -13.629 -11.380 2.791 1.00 0.00 C ATOM 185 CG ASP A 15 -13.893 -10.370 3.901 1.00 0.00 C ATOM 186 OD1 ASP A 15 -13.267 -9.322 3.883 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.717 -10.657 4.754 1.00 0.00 O ATOM 0 H ASP A 15 -14.548 -9.592 1.376 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.928 -10.246 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.574 -11.749 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.094 -12.241 3.191 1.00 0.00 H new ATOM 192 N LEU A 16 -13.246 -12.207 -0.202 1.00 0.00 N ATOM 193 CA LEU A 16 -12.913 -13.230 -1.187 1.00 0.00 C ATOM 194 C LEU A 16 -11.863 -12.718 -2.166 1.00 0.00 C ATOM 195 O LEU A 16 -10.974 -13.461 -2.581 1.00 0.00 O ATOM 196 CB LEU A 16 -14.169 -13.655 -1.957 1.00 0.00 C ATOM 197 CG LEU A 16 -15.040 -14.565 -1.080 1.00 0.00 C ATOM 198 CD1 LEU A 16 -14.410 -15.957 -0.980 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.167 -13.965 0.323 1.00 0.00 C ATOM 0 H LEU A 16 -14.198 -11.847 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.507 -14.091 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.737 -12.774 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.886 -14.179 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 16 -16.028 -14.648 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.035 -16.595 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.328 -16.392 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.417 -15.876 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.786 -14.614 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.177 -13.873 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.628 -12.980 0.257 1.00 0.00 H new ATOM 211 N ALA A 17 -11.971 -11.444 -2.533 1.00 0.00 N ATOM 212 CA ALA A 17 -11.022 -10.848 -3.466 1.00 0.00 C ATOM 213 C ALA A 17 -9.615 -10.850 -2.879 1.00 0.00 C ATOM 214 O ALA A 17 -8.635 -11.077 -3.588 1.00 0.00 O ATOM 215 CB ALA A 17 -11.439 -9.412 -3.789 1.00 0.00 C ATOM 0 H ALA A 17 -12.699 -10.811 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.021 -11.442 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.725 -8.974 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.432 -9.414 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.458 -8.824 -2.872 1.00 0.00 H new ATOM 221 N VAL A 18 -9.523 -10.595 -1.577 1.00 0.00 N ATOM 222 CA VAL A 18 -8.231 -10.570 -0.903 1.00 0.00 C ATOM 223 C VAL A 18 -7.579 -11.950 -0.931 1.00 0.00 C ATOM 224 O VAL A 18 -6.369 -12.071 -1.115 1.00 0.00 O ATOM 225 CB VAL A 18 -8.406 -10.114 0.545 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.082 -10.272 1.295 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.828 -8.643 0.567 1.00 0.00 C ATOM 0 H VAL A 18 -10.322 -10.404 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.584 -9.868 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.172 -10.722 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.208 -9.947 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.777 -11.318 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.316 -9.664 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.953 -8.316 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.061 -8.037 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.771 -8.527 0.033 1.00 0.00 H new ATOM 237 N GLU A 19 -8.389 -12.988 -0.741 1.00 0.00 N ATOM 238 CA GLU A 19 -7.875 -14.353 -0.740 1.00 0.00 C ATOM 239 C GLU A 19 -7.277 -14.711 -2.098 1.00 0.00 C ATOM 240 O GLU A 19 -6.267 -15.412 -2.173 1.00 0.00 O ATOM 241 CB GLU A 19 -9.000 -15.335 -0.406 1.00 0.00 C ATOM 242 CG GLU A 19 -9.481 -15.094 1.027 1.00 0.00 C ATOM 243 CD GLU A 19 -10.556 -16.111 1.393 1.00 0.00 C ATOM 244 OE1 GLU A 19 -10.994 -16.826 0.506 1.00 0.00 O ATOM 245 OE2 GLU A 19 -10.925 -16.161 2.555 1.00 0.00 O ATOM 0 H GLU A 19 -9.394 -12.911 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.092 -14.420 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.827 -15.208 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.646 -16.360 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.643 -15.173 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.878 -14.083 1.121 1.00 0.00 H new ATOM 252 N LYS A 20 -7.900 -14.226 -3.167 1.00 0.00 N ATOM 253 CA LYS A 20 -7.409 -14.509 -4.511 1.00 0.00 C ATOM 254 C LYS A 20 -5.991 -13.976 -4.685 1.00 0.00 C ATOM 255 O LYS A 20 -5.133 -14.642 -5.265 1.00 0.00 O ATOM 256 CB LYS A 20 -8.330 -13.871 -5.552 1.00 0.00 C ATOM 257 CG LYS A 20 -9.707 -14.536 -5.493 1.00 0.00 C ATOM 258 CD LYS A 20 -10.597 -13.972 -6.602 1.00 0.00 C ATOM 259 CE LYS A 20 -12.010 -14.540 -6.461 1.00 0.00 C ATOM 260 NZ LYS A 20 -12.461 -15.084 -7.774 1.00 0.00 N ATOM 0 H LYS A 20 -8.736 -13.642 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.399 -15.590 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.423 -12.801 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.903 -13.983 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.606 -15.615 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.166 -14.360 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.624 -12.884 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.186 -14.229 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.024 -15.326 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.694 -13.762 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.422 -15.470 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.463 -14.323 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.813 -15.839 -8.078 1.00 0.00 H new ATOM 274 N PHE A 21 -5.750 -12.773 -4.174 1.00 0.00 N ATOM 275 CA PHE A 21 -4.431 -12.163 -4.275 1.00 0.00 C ATOM 276 C PHE A 21 -3.408 -12.963 -3.473 1.00 0.00 C ATOM 277 O PHE A 21 -2.293 -13.205 -3.934 1.00 0.00 O ATOM 278 CB PHE A 21 -4.475 -10.725 -3.754 1.00 0.00 C ATOM 279 CG PHE A 21 -3.142 -10.062 -4.004 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.130 -10.140 -3.041 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.917 -9.373 -5.201 1.00 0.00 C ATOM 282 CE1 PHE A 21 -0.893 -9.528 -3.274 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.681 -8.760 -5.435 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.668 -8.838 -4.471 1.00 0.00 C ATOM 0 H PHE A 21 -6.445 -12.206 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.135 -12.160 -5.324 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.269 -10.170 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.703 -10.719 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.303 -10.673 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.698 -9.314 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.112 -9.588 -2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.508 -8.227 -6.358 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.287 -8.366 -4.651 1.00 0.00 H new ATOM 294 N TYR A 22 -3.798 -13.366 -2.267 1.00 0.00 N ATOM 295 CA TYR A 22 -2.910 -14.134 -1.402 1.00 0.00 C ATOM 296 C TYR A 22 -2.456 -15.414 -2.094 1.00 0.00 C ATOM 297 O TYR A 22 -1.288 -15.796 -2.005 1.00 0.00 O ATOM 298 CB TYR A 22 -3.627 -14.484 -0.098 1.00 0.00 C ATOM 299 CG TYR A 22 -2.671 -15.203 0.825 1.00 0.00 C ATOM 300 CD1 TYR A 22 -1.805 -14.471 1.646 1.00 0.00 C ATOM 301 CD2 TYR A 22 -2.650 -16.603 0.857 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.919 -15.138 2.500 1.00 0.00 C ATOM 303 CE2 TYR A 22 -1.764 -17.270 1.712 1.00 0.00 C ATOM 304 CZ TYR A 22 -0.899 -16.537 2.534 1.00 0.00 C ATOM 305 OH TYR A 22 -0.026 -17.195 3.376 1.00 0.00 O ATOM 0 H TYR A 22 -4.717 -13.175 -1.869 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.033 -13.525 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.998 -13.577 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.493 -15.113 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.821 -13.391 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.317 -17.168 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.251 -14.573 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.748 -18.350 1.737 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.142 -18.163 3.276 1.00 0.00 H new ATOM 315 N GLY A 23 -3.381 -16.073 -2.782 1.00 0.00 N ATOM 316 CA GLY A 23 -3.053 -17.309 -3.481 1.00 0.00 C ATOM 317 C GLY A 23 -1.901 -17.087 -4.453 1.00 0.00 C ATOM 318 O GLY A 23 -0.991 -17.911 -4.552 1.00 0.00 O ATOM 0 H GLY A 23 -4.353 -15.777 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.783 -18.080 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.928 -17.670 -4.022 1.00 0.00 H new ATOM 322 N LYS A 24 -1.943 -15.965 -5.165 1.00 0.00 N ATOM 323 CA LYS A 24 -0.892 -15.641 -6.122 1.00 0.00 C ATOM 324 C LYS A 24 0.450 -15.493 -5.409 1.00 0.00 C ATOM 325 O LYS A 24 1.484 -15.930 -5.913 1.00 0.00 O ATOM 326 CB LYS A 24 -1.235 -14.341 -6.852 1.00 0.00 C ATOM 327 CG LYS A 24 -2.502 -14.546 -7.684 1.00 0.00 C ATOM 328 CD LYS A 24 -2.785 -13.287 -8.504 1.00 0.00 C ATOM 329 CE LYS A 24 -4.108 -13.455 -9.254 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.276 -14.883 -9.647 1.00 0.00 N ATOM 0 H LYS A 24 -2.687 -15.270 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.818 -16.453 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.385 -13.536 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.408 -14.043 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.380 -15.404 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.347 -14.765 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.833 -12.417 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.974 -13.110 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.939 -13.140 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.120 -12.819 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.150 -14.990 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.463 -15.183 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.333 -15.474 -8.793 1.00 0.00 H new ATOM 344 N VAL A 25 0.420 -14.874 -4.232 1.00 0.00 N ATOM 345 CA VAL A 25 1.638 -14.674 -3.454 1.00 0.00 C ATOM 346 C VAL A 25 2.197 -16.011 -2.979 1.00 0.00 C ATOM 347 O VAL A 25 3.408 -16.229 -2.989 1.00 0.00 O ATOM 348 CB VAL A 25 1.343 -13.785 -2.245 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.582 -13.711 -1.351 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.978 -12.378 -2.724 1.00 0.00 C ATOM 0 H VAL A 25 -0.427 -14.505 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 25 2.378 -14.190 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 25 0.511 -14.206 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.372 -13.077 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.845 -14.712 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.414 -13.291 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.768 -11.744 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.811 -11.959 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.096 -12.428 -3.362 1.00 0.00 H new ATOM 360 N LEU A 26 1.303 -16.902 -2.561 1.00 0.00 N ATOM 361 CA LEU A 26 1.713 -18.216 -2.080 1.00 0.00 C ATOM 362 C LEU A 26 2.503 -18.958 -3.152 1.00 0.00 C ATOM 363 O LEU A 26 3.465 -19.663 -2.850 1.00 0.00 O ATOM 364 CB LEU A 26 0.479 -19.034 -1.690 1.00 0.00 C ATOM 365 CG LEU A 26 0.912 -20.366 -1.070 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.573 -20.116 0.287 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.316 -21.258 -0.880 1.00 0.00 C ATOM 0 H LEU A 26 0.296 -16.739 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 26 2.351 -18.082 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.130 -18.474 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.140 -19.216 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 26 1.625 -20.857 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.879 -21.067 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.448 -19.480 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.864 -19.623 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.012 -22.207 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.027 -20.762 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.786 -21.441 -1.846 1.00 0.00 H new ATOM 379 N ALA A 27 2.088 -18.798 -4.404 1.00 0.00 N ATOM 380 CA ALA A 27 2.765 -19.464 -5.511 1.00 0.00 C ATOM 381 C ALA A 27 4.214 -19.000 -5.615 1.00 0.00 C ATOM 382 O ALA A 27 5.112 -19.799 -5.879 1.00 0.00 O ATOM 383 CB ALA A 27 2.037 -19.166 -6.822 1.00 0.00 C ATOM 0 H ALA A 27 1.294 -18.219 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 27 2.754 -20.538 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.548 -19.667 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.011 -19.528 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.032 -18.090 -6.999 1.00 0.00 H new ATOM 389 N ASP A 28 4.436 -17.707 -5.406 1.00 0.00 N ATOM 390 CA ASP A 28 5.785 -17.156 -5.480 1.00 0.00 C ATOM 391 C ASP A 28 6.463 -17.198 -4.112 1.00 0.00 C ATOM 392 O ASP A 28 6.196 -16.364 -3.247 1.00 0.00 O ATOM 393 CB ASP A 28 5.728 -15.713 -5.984 1.00 0.00 C ATOM 394 CG ASP A 28 7.141 -15.163 -6.147 1.00 0.00 C ATOM 395 OD1 ASP A 28 8.076 -15.932 -6.001 1.00 0.00 O ATOM 396 OD2 ASP A 28 7.267 -13.979 -6.415 1.00 0.00 O ATOM 0 H ASP A 28 3.708 -17.027 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 28 6.368 -17.762 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.201 -15.672 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.167 -15.096 -5.282 1.00 0.00 H new ATOM 401 N GLU A 29 7.342 -18.174 -3.926 1.00 0.00 N ATOM 402 CA GLU A 29 8.060 -18.320 -2.665 1.00 0.00 C ATOM 403 C GLU A 29 9.137 -17.247 -2.518 1.00 0.00 C ATOM 404 O GLU A 29 9.515 -16.881 -1.405 1.00 0.00 O ATOM 405 CB GLU A 29 8.706 -19.705 -2.588 1.00 0.00 C ATOM 406 CG GLU A 29 7.613 -20.776 -2.557 1.00 0.00 C ATOM 407 CD GLU A 29 8.241 -22.157 -2.408 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.454 -22.248 -2.500 1.00 0.00 O ATOM 409 OE2 GLU A 29 7.499 -23.105 -2.205 1.00 0.00 O ATOM 0 H GLU A 29 7.575 -18.875 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 29 7.342 -18.204 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.359 -19.862 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.328 -19.779 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.930 -20.587 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.023 -20.732 -3.473 1.00 0.00 H new ATOM 416 N ARG A 30 9.644 -16.764 -3.649 1.00 0.00 N ATOM 417 CA ARG A 30 10.696 -15.753 -3.637 1.00 0.00 C ATOM 418 C ARG A 30 10.294 -14.532 -2.815 1.00 0.00 C ATOM 419 O ARG A 30 11.108 -13.981 -2.075 1.00 0.00 O ATOM 420 CB ARG A 30 11.011 -15.319 -5.071 1.00 0.00 C ATOM 421 CG ARG A 30 11.575 -16.507 -5.853 1.00 0.00 C ATOM 422 CD ARG A 30 11.996 -16.045 -7.250 1.00 0.00 C ATOM 423 NE ARG A 30 10.865 -15.437 -7.942 1.00 0.00 N ATOM 424 CZ ARG A 30 11.037 -14.744 -9.062 1.00 0.00 C ATOM 425 NH1 ARG A 30 12.234 -14.596 -9.561 1.00 0.00 N ATOM 426 NH2 ARG A 30 10.009 -14.210 -9.663 1.00 0.00 N ATOM 0 H ARG A 30 9.345 -17.054 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 30 11.579 -16.196 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.109 -14.947 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.730 -14.500 -5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.430 -16.930 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.825 -17.295 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.813 -15.327 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.370 -16.893 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 30 9.926 -15.546 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.038 -15.013 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.366 -14.064 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.074 -14.325 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.141 -13.678 -10.523 1.00 0.00 H new ATOM 440 N VAL A 31 9.042 -14.105 -2.946 1.00 0.00 N ATOM 441 CA VAL A 31 8.571 -12.941 -2.200 1.00 0.00 C ATOM 442 C VAL A 31 8.269 -13.309 -0.751 1.00 0.00 C ATOM 443 O VAL A 31 8.417 -12.486 0.152 1.00 0.00 O ATOM 444 CB VAL A 31 7.319 -12.359 -2.860 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.672 -11.845 -4.256 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.252 -13.447 -2.978 1.00 0.00 C ATOM 0 H VAL A 31 8.344 -14.538 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 31 9.362 -12.191 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 31 6.938 -11.538 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.781 -11.430 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.434 -11.070 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.053 -12.668 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.360 -13.033 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.634 -14.267 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.999 -13.818 -1.985 1.00 0.00 H new ATOM 456 N ASN A 32 7.842 -14.549 -0.538 1.00 0.00 N ATOM 457 CA ASN A 32 7.517 -15.019 0.806 1.00 0.00 C ATOM 458 C ASN A 32 8.719 -14.891 1.738 1.00 0.00 C ATOM 459 O ASN A 32 8.563 -14.649 2.934 1.00 0.00 O ATOM 460 CB ASN A 32 7.067 -16.480 0.750 1.00 0.00 C ATOM 461 CG ASN A 32 5.770 -16.596 -0.044 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.073 -15.601 -0.245 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.404 -17.759 -0.510 1.00 0.00 N ATOM 0 H ASN A 32 7.713 -15.244 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 32 6.710 -14.399 1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.842 -17.090 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.920 -16.863 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.538 -17.846 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.984 -18.581 -0.342 1.00 0.00 H new ATOM 470 N ARG A 33 9.915 -15.067 1.186 1.00 0.00 N ATOM 471 CA ARG A 33 11.133 -14.981 1.985 1.00 0.00 C ATOM 472 C ARG A 33 11.220 -13.640 2.712 1.00 0.00 C ATOM 473 O ARG A 33 11.641 -13.577 3.866 1.00 0.00 O ATOM 474 CB ARG A 33 12.357 -15.150 1.082 1.00 0.00 C ATOM 475 CG ARG A 33 12.349 -16.551 0.469 1.00 0.00 C ATOM 476 CD ARG A 33 13.595 -16.735 -0.400 1.00 0.00 C ATOM 477 NE ARG A 33 14.790 -16.794 0.435 1.00 0.00 N ATOM 478 CZ ARG A 33 15.194 -17.939 0.976 1.00 0.00 C ATOM 479 NH1 ARG A 33 14.518 -19.035 0.765 1.00 0.00 N ATOM 480 NH2 ARG A 33 16.268 -17.966 1.716 1.00 0.00 N ATOM 0 H ARG A 33 10.067 -15.268 0.198 1.00 0.00 H new ATOM 0 HA ARG A 33 11.108 -15.777 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.348 -14.397 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.270 -14.998 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.328 -17.304 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.450 -16.692 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.507 -17.650 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.678 -15.910 -1.108 1.00 0.00 H new ATOM 0 HE ARG A 33 15.324 -15.942 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.679 -19.013 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.828 -19.913 1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.797 -17.109 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.579 -18.844 2.132 1.00 0.00 H new ATOM 494 N PHE A 34 10.821 -12.572 2.028 1.00 0.00 N ATOM 495 CA PHE A 34 10.862 -11.237 2.618 1.00 0.00 C ATOM 496 C PHE A 34 9.831 -11.091 3.735 1.00 0.00 C ATOM 497 O PHE A 34 10.045 -10.347 4.692 1.00 0.00 O ATOM 498 CB PHE A 34 10.602 -10.183 1.542 1.00 0.00 C ATOM 499 CG PHE A 34 11.785 -10.122 0.605 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.854 -9.263 0.883 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.812 -10.925 -0.540 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.951 -9.207 0.015 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.909 -10.870 -1.408 1.00 0.00 C ATOM 504 CZ PHE A 34 13.978 -10.010 -1.132 1.00 0.00 C ATOM 0 H PHE A 34 10.468 -12.603 1.072 1.00 0.00 H new ATOM 0 HA PHE A 34 11.854 -11.090 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.697 -10.429 0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.438 -9.209 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.833 -8.643 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.986 -11.588 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.776 -8.545 0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.930 -11.492 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.823 -9.966 -1.803 1.00 0.00 H new ATOM 514 N PHE A 35 8.711 -11.792 3.604 1.00 0.00 N ATOM 515 CA PHE A 35 7.653 -11.714 4.607 1.00 0.00 C ATOM 516 C PHE A 35 7.903 -12.686 5.755 1.00 0.00 C ATOM 517 O PHE A 35 7.055 -12.850 6.629 1.00 0.00 O ATOM 518 CB PHE A 35 6.296 -12.016 3.969 1.00 0.00 C ATOM 519 CG PHE A 35 5.952 -10.929 2.979 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.494 -9.687 3.435 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.091 -11.163 1.606 1.00 0.00 C ATOM 522 CE1 PHE A 35 5.175 -8.679 2.516 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.773 -10.156 0.688 1.00 0.00 C ATOM 524 CZ PHE A 35 5.316 -8.914 1.143 1.00 0.00 C ATOM 0 H PHE A 35 8.512 -12.415 2.822 1.00 0.00 H new ATOM 0 HA PHE A 35 7.651 -10.700 5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.325 -12.983 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.526 -12.079 4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.387 -9.506 4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.444 -12.121 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.820 -7.721 2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.880 -10.337 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.072 -8.136 0.435 1.00 0.00 H new ATOM 534 N VAL A 36 9.066 -13.327 5.755 1.00 0.00 N ATOM 535 CA VAL A 36 9.392 -14.274 6.817 1.00 0.00 C ATOM 536 C VAL A 36 9.322 -13.592 8.178 1.00 0.00 C ATOM 537 O VAL A 36 8.788 -14.150 9.137 1.00 0.00 O ATOM 538 CB VAL A 36 10.796 -14.841 6.602 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.220 -15.637 7.837 1.00 0.00 C ATOM 540 CG2 VAL A 36 10.789 -15.764 5.382 1.00 0.00 C ATOM 0 H VAL A 36 9.789 -13.212 5.045 1.00 0.00 H new ATOM 0 HA VAL A 36 8.666 -15.086 6.789 1.00 0.00 H new ATOM 0 HB VAL A 36 11.497 -14.023 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.221 -16.041 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.223 -14.982 8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.519 -16.456 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.789 -16.169 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.088 -16.582 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.485 -15.199 4.500 1.00 0.00 H new ATOM 550 N ASN A 37 9.860 -12.379 8.255 1.00 0.00 N ATOM 551 CA ASN A 37 9.850 -11.624 9.503 1.00 0.00 C ATOM 552 C ASN A 37 8.418 -11.377 9.971 1.00 0.00 C ATOM 553 O ASN A 37 8.144 -11.334 11.169 1.00 0.00 O ATOM 554 CB ASN A 37 10.561 -10.283 9.308 1.00 0.00 C ATOM 555 CG ASN A 37 12.031 -10.517 8.977 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.557 -11.604 9.216 1.00 0.00 O ATOM 557 ND2 ASN A 37 12.729 -9.556 8.438 1.00 0.00 N ATOM 0 H ASN A 37 10.306 -11.900 7.473 1.00 0.00 H new ATOM 0 HA ASN A 37 10.373 -12.207 10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.083 -9.722 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.474 -9.681 10.212 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.713 -9.704 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.291 -8.656 8.241 1.00 0.00 H new ATOM 564 N THR A 38 7.511 -11.207 9.013 1.00 0.00 N ATOM 565 CA THR A 38 6.110 -10.955 9.332 1.00 0.00 C ATOM 566 C THR A 38 5.286 -12.233 9.207 1.00 0.00 C ATOM 567 O THR A 38 5.510 -13.042 8.308 1.00 0.00 O ATOM 568 CB THR A 38 5.548 -9.890 8.387 1.00 0.00 C ATOM 569 OG1 THR A 38 6.359 -8.726 8.452 1.00 0.00 O ATOM 570 CG2 THR A 38 4.119 -9.541 8.801 1.00 0.00 C ATOM 0 H THR A 38 7.720 -11.239 8.015 1.00 0.00 H new ATOM 0 HA THR A 38 6.050 -10.602 10.362 1.00 0.00 H new ATOM 0 HB THR A 38 5.545 -10.275 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.001 -8.044 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.720 -8.783 8.127 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.497 -10.435 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.119 -9.156 9.821 1.00 0.00 H new ATOM 578 N ASP A 39 4.330 -12.410 10.113 1.00 0.00 N ATOM 579 CA ASP A 39 3.482 -13.596 10.086 1.00 0.00 C ATOM 580 C ASP A 39 2.426 -13.475 8.991 1.00 0.00 C ATOM 581 O ASP A 39 2.224 -12.401 8.425 1.00 0.00 O ATOM 582 CB ASP A 39 2.799 -13.786 11.442 1.00 0.00 C ATOM 583 CG ASP A 39 1.843 -12.631 11.715 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.562 -11.888 10.789 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.405 -12.507 12.847 1.00 0.00 O ATOM 0 H ASP A 39 4.124 -11.755 10.867 1.00 0.00 H new ATOM 0 HA ASP A 39 4.109 -14.462 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.254 -14.730 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.549 -13.841 12.231 1.00 0.00 H new ATOM 590 N MET A 40 1.762 -14.587 8.694 1.00 0.00 N ATOM 591 CA MET A 40 0.731 -14.601 7.661 1.00 0.00 C ATOM 592 C MET A 40 -0.416 -13.656 8.010 1.00 0.00 C ATOM 593 O MET A 40 -1.018 -13.047 7.127 1.00 0.00 O ATOM 594 CB MET A 40 0.188 -16.020 7.487 1.00 0.00 C ATOM 595 CG MET A 40 1.286 -16.921 6.920 1.00 0.00 C ATOM 596 SD MET A 40 0.605 -18.565 6.587 1.00 0.00 S ATOM 597 CE MET A 40 2.146 -19.343 6.045 1.00 0.00 C ATOM 0 H MET A 40 1.917 -15.486 9.151 1.00 0.00 H new ATOM 0 HA MET A 40 1.184 -14.262 6.729 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.157 -16.409 8.445 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.672 -16.012 6.818 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.688 -16.490 6.003 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.112 -16.994 7.627 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.956 -20.384 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.533 -18.815 5.173 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.879 -19.299 6.851 1.00 0.00 H new ATOM 607 N ALA A 41 -0.724 -13.546 9.299 1.00 0.00 N ATOM 608 CA ALA A 41 -1.815 -12.680 9.737 1.00 0.00 C ATOM 609 C ALA A 41 -1.578 -11.237 9.301 1.00 0.00 C ATOM 610 O ALA A 41 -2.387 -10.660 8.575 1.00 0.00 O ATOM 611 CB ALA A 41 -1.944 -12.736 11.261 1.00 0.00 C ATOM 0 H ALA A 41 -0.241 -14.039 10.050 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.736 -13.036 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.760 -12.088 11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.151 -13.760 11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.013 -12.400 11.718 1.00 0.00 H new ATOM 617 N LYS A 42 -0.463 -10.661 9.740 1.00 0.00 N ATOM 618 CA LYS A 42 -0.137 -9.286 9.378 1.00 0.00 C ATOM 619 C LYS A 42 0.047 -9.156 7.870 1.00 0.00 C ATOM 620 O LYS A 42 -0.244 -8.112 7.288 1.00 0.00 O ATOM 621 CB LYS A 42 1.145 -8.841 10.093 1.00 0.00 C ATOM 622 CG LYS A 42 0.819 -8.359 11.512 1.00 0.00 C ATOM 623 CD LYS A 42 0.458 -9.554 12.394 1.00 0.00 C ATOM 624 CE LYS A 42 0.185 -9.075 13.821 1.00 0.00 C ATOM 625 NZ LYS A 42 -0.500 -7.752 13.779 1.00 0.00 N ATOM 0 H LYS A 42 0.223 -11.119 10.340 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.963 -8.646 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.853 -9.669 10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.625 -8.040 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.675 -7.831 11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.010 -7.652 11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.421 -10.061 11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.272 -10.279 12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.435 -9.801 14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.121 -8.995 14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.968 -7.574 14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.200 -7.004 13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.211 -7.753 13.020 1.00 0.00 H new ATOM 639 N GLN A 43 0.536 -10.221 7.244 1.00 0.00 N ATOM 640 CA GLN A 43 0.759 -10.208 5.803 1.00 0.00 C ATOM 641 C GLN A 43 -0.523 -9.841 5.062 1.00 0.00 C ATOM 642 O GLN A 43 -0.492 -9.082 4.094 1.00 0.00 O ATOM 643 CB GLN A 43 1.241 -11.584 5.339 1.00 0.00 C ATOM 644 CG GLN A 43 1.669 -11.508 3.873 1.00 0.00 C ATOM 645 CD GLN A 43 2.061 -12.894 3.373 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.325 -13.074 2.184 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.117 -13.889 4.215 1.00 0.00 N ATOM 0 H GLN A 43 0.783 -11.096 7.706 1.00 0.00 H new ATOM 0 HA GLN A 43 1.519 -9.460 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.076 -11.915 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.445 -12.319 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.854 -11.111 3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.509 -10.822 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.898 -13.737 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.380 -14.819 3.889 1.00 0.00 H new ATOM 656 N LYS A 44 -1.647 -10.380 5.522 1.00 0.00 N ATOM 657 CA LYS A 44 -2.930 -10.094 4.888 1.00 0.00 C ATOM 658 C LYS A 44 -3.232 -8.600 4.935 1.00 0.00 C ATOM 659 O LYS A 44 -3.770 -8.036 3.983 1.00 0.00 O ATOM 660 CB LYS A 44 -4.047 -10.863 5.595 1.00 0.00 C ATOM 661 CG LYS A 44 -3.833 -12.365 5.407 1.00 0.00 C ATOM 662 CD LYS A 44 -5.010 -13.129 6.016 1.00 0.00 C ATOM 663 CE LYS A 44 -4.743 -14.633 5.933 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.069 -15.268 7.240 1.00 0.00 N ATOM 0 H LYS A 44 -1.697 -11.010 6.322 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.875 -10.410 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.056 -10.617 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.016 -10.570 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.743 -12.600 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.901 -12.673 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.151 -12.831 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.930 -12.883 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.346 -15.077 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.699 -14.814 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.888 -16.291 7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.476 -14.851 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.072 -15.106 7.464 1.00 0.00 H new ATOM 678 N GLN A 45 -2.883 -7.967 6.049 1.00 0.00 N ATOM 679 CA GLN A 45 -3.122 -6.538 6.211 1.00 0.00 C ATOM 680 C GLN A 45 -2.396 -5.745 5.129 1.00 0.00 C ATOM 681 O GLN A 45 -2.918 -4.753 4.617 1.00 0.00 O ATOM 682 CB GLN A 45 -2.641 -6.082 7.589 1.00 0.00 C ATOM 683 CG GLN A 45 -3.068 -4.633 7.826 1.00 0.00 C ATOM 684 CD GLN A 45 -2.489 -4.128 9.143 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.270 -4.041 9.293 1.00 0.00 O ATOM 686 NE2 GLN A 45 -3.294 -3.787 10.112 1.00 0.00 N ATOM 0 H GLN A 45 -2.437 -8.417 6.848 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.193 -6.356 6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.058 -6.726 8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.556 -6.168 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.725 -4.005 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.156 -4.564 7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.304 -3.860 9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.914 -3.448 10.995 1.00 0.00 H new ATOM 695 N HIS A 46 -1.189 -6.184 4.788 1.00 0.00 N ATOM 696 CA HIS A 46 -0.399 -5.501 3.770 1.00 0.00 C ATOM 697 C HIS A 46 -1.141 -5.472 2.438 1.00 0.00 C ATOM 698 O HIS A 46 -1.201 -4.437 1.775 1.00 0.00 O ATOM 699 CB HIS A 46 0.946 -6.209 3.590 1.00 0.00 C ATOM 700 CG HIS A 46 1.807 -5.419 2.644 1.00 0.00 C ATOM 701 ND1 HIS A 46 1.996 -5.798 1.324 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.534 -4.267 2.812 1.00 0.00 C ATOM 703 CE1 HIS A 46 2.810 -4.888 0.755 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.167 -3.934 1.617 1.00 0.00 N ATOM 0 H HIS A 46 -0.739 -7.003 5.198 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.231 -4.476 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.446 -6.313 4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.790 -7.216 3.202 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.593 -6.616 0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.604 -3.704 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.134 -4.926 -0.274 1.00 0.00 H new ATOM 712 N GLN A 47 -1.705 -6.611 2.051 1.00 0.00 N ATOM 713 CA GLN A 47 -2.438 -6.694 0.792 1.00 0.00 C ATOM 714 C GLN A 47 -3.631 -5.743 0.799 1.00 0.00 C ATOM 715 O GLN A 47 -3.932 -5.108 -0.211 1.00 0.00 O ATOM 716 CB GLN A 47 -2.927 -8.126 0.559 1.00 0.00 C ATOM 717 CG GLN A 47 -1.749 -9.022 0.165 1.00 0.00 C ATOM 718 CD GLN A 47 -0.501 -8.645 0.957 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.044 -7.555 0.782 1.00 0.00 O ATOM 720 NE2 GLN A 47 -0.010 -9.490 1.822 1.00 0.00 N ATOM 0 H GLN A 47 -1.670 -7.480 2.583 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.763 -6.406 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.400 -8.509 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.683 -8.138 -0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.002 -10.066 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.552 -8.925 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.462 -10.393 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.826 -9.248 2.354 1.00 0.00 H new ATOM 729 N LYS A 48 -4.303 -5.646 1.942 1.00 0.00 N ATOM 730 CA LYS A 48 -5.456 -4.763 2.057 1.00 0.00 C ATOM 731 C LYS A 48 -5.038 -3.319 1.803 1.00 0.00 C ATOM 732 O LYS A 48 -5.662 -2.610 1.013 1.00 0.00 O ATOM 733 CB LYS A 48 -6.067 -4.889 3.459 1.00 0.00 C ATOM 734 CG LYS A 48 -7.352 -4.057 3.561 1.00 0.00 C ATOM 735 CD LYS A 48 -8.507 -4.788 2.870 1.00 0.00 C ATOM 736 CE LYS A 48 -9.830 -4.117 3.245 1.00 0.00 C ATOM 737 NZ LYS A 48 -10.964 -4.997 2.841 1.00 0.00 N ATOM 0 H LYS A 48 -4.072 -6.161 2.791 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.199 -5.051 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.286 -5.935 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.349 -4.553 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.598 -3.880 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.201 -3.081 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.370 -4.768 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.520 -5.836 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.864 -3.931 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.912 -3.149 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.758 -4.411 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.658 -5.627 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.268 -5.568 3.656 1.00 0.00 H new ATOM 751 N ASP A 49 -3.971 -2.895 2.473 1.00 0.00 N ATOM 752 CA ASP A 49 -3.467 -1.538 2.308 1.00 0.00 C ATOM 753 C ASP A 49 -2.886 -1.348 0.911 1.00 0.00 C ATOM 754 O ASP A 49 -3.034 -0.287 0.303 1.00 0.00 O ATOM 755 CB ASP A 49 -2.387 -1.252 3.354 1.00 0.00 C ATOM 756 CG ASP A 49 -2.998 -1.263 4.751 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.214 -1.226 4.844 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.242 -1.309 5.707 1.00 0.00 O ATOM 0 H ASP A 49 -3.442 -3.468 3.131 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.297 -0.844 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.597 -2.001 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.926 -0.284 3.157 1.00 0.00 H new ATOM 763 N PHE A 50 -2.217 -2.382 0.413 1.00 0.00 N ATOM 764 CA PHE A 50 -1.604 -2.323 -0.909 1.00 0.00 C ATOM 765 C PHE A 50 -2.653 -2.076 -1.989 1.00 0.00 C ATOM 766 O PHE A 50 -2.486 -1.200 -2.838 1.00 0.00 O ATOM 767 CB PHE A 50 -0.870 -3.634 -1.199 1.00 0.00 C ATOM 768 CG PHE A 50 -0.123 -3.518 -2.505 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.157 -2.950 -2.531 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.709 -3.979 -3.690 1.00 0.00 C ATOM 771 CE1 PHE A 50 1.850 -2.845 -3.743 1.00 0.00 C ATOM 772 CE2 PHE A 50 -0.015 -3.873 -4.901 1.00 0.00 C ATOM 773 CZ PHE A 50 1.265 -3.305 -4.928 1.00 0.00 C ATOM 0 H PHE A 50 -2.086 -3.267 0.902 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.896 -1.494 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.175 -3.860 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.582 -4.458 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.609 -2.593 -1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.696 -4.416 -3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.838 -2.408 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.467 -4.229 -5.815 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.800 -3.222 -5.863 1.00 0.00 H new ATOM 783 N MET A 51 -3.732 -2.852 -1.957 1.00 0.00 N ATOM 784 CA MET A 51 -4.793 -2.699 -2.946 1.00 0.00 C ATOM 785 C MET A 51 -5.434 -1.319 -2.840 1.00 0.00 C ATOM 786 O MET A 51 -5.745 -0.690 -3.852 1.00 0.00 O ATOM 787 CB MET A 51 -5.861 -3.778 -2.750 1.00 0.00 C ATOM 788 CG MET A 51 -6.892 -3.681 -3.876 1.00 0.00 C ATOM 789 SD MET A 51 -8.228 -4.868 -3.579 1.00 0.00 S ATOM 790 CE MET A 51 -7.264 -6.370 -3.877 1.00 0.00 C ATOM 0 H MET A 51 -3.894 -3.585 -1.266 1.00 0.00 H new ATOM 0 HA MET A 51 -4.351 -2.806 -3.937 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.400 -4.766 -2.748 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.349 -3.652 -1.783 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.295 -2.670 -3.928 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.418 -3.885 -4.836 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.926 -7.165 -4.219 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.510 -6.173 -4.639 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.774 -6.677 -2.953 1.00 0.00 H new ATOM 800 N THR A 52 -5.631 -0.853 -1.612 1.00 0.00 N ATOM 801 CA THR A 52 -6.236 0.454 -1.392 1.00 0.00 C ATOM 802 C THR A 52 -5.384 1.552 -2.020 1.00 0.00 C ATOM 803 O THR A 52 -5.905 2.477 -2.642 1.00 0.00 O ATOM 804 CB THR A 52 -6.388 0.717 0.108 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.117 -0.349 0.700 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.135 2.032 0.324 1.00 0.00 C ATOM 0 H THR A 52 -5.383 -1.356 -0.760 1.00 0.00 H new ATOM 0 HA THR A 52 -7.220 0.460 -1.861 1.00 0.00 H new ATOM 0 HB THR A 52 -5.402 0.784 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.525 -1.119 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.243 2.218 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.574 2.848 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.122 1.969 -0.135 1.00 0.00 H new ATOM 814 N TYR A 53 -4.070 1.442 -1.852 1.00 0.00 N ATOM 815 CA TYR A 53 -3.153 2.431 -2.405 1.00 0.00 C ATOM 816 C TYR A 53 -3.256 2.464 -3.928 1.00 0.00 C ATOM 817 O TYR A 53 -3.254 3.534 -4.537 1.00 0.00 O ATOM 818 CB TYR A 53 -1.718 2.099 -1.993 1.00 0.00 C ATOM 819 CG TYR A 53 -0.794 3.204 -2.447 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.623 4.344 -1.653 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.109 3.088 -3.662 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.233 5.369 -2.073 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.747 4.112 -4.083 1.00 0.00 C ATOM 824 CZ TYR A 53 0.918 5.253 -3.289 1.00 0.00 C ATOM 825 OH TYR A 53 1.762 6.263 -3.704 1.00 0.00 O ATOM 0 H TYR A 53 -3.619 0.683 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.424 3.412 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.657 1.981 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.412 1.151 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.152 4.433 -0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.241 2.208 -4.275 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.365 6.248 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.276 4.022 -5.020 1.00 0.00 H new ATOM 0 HH TYR A 53 2.159 6.024 -4.568 1.00 0.00 H new ATOM 835 N ALA A 54 -3.346 1.286 -4.536 1.00 0.00 N ATOM 836 CA ALA A 54 -3.451 1.188 -5.989 1.00 0.00 C ATOM 837 C ALA A 54 -4.751 1.816 -6.479 1.00 0.00 C ATOM 838 O ALA A 54 -4.814 2.359 -7.581 1.00 0.00 O ATOM 839 CB ALA A 54 -3.397 -0.280 -6.419 1.00 0.00 C ATOM 0 H ALA A 54 -3.348 0.390 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.613 1.728 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.476 -0.344 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.453 -0.719 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.224 -0.824 -5.962 1.00 0.00 H new ATOM 845 N PHE A 55 -5.787 1.736 -5.651 1.00 0.00 N ATOM 846 CA PHE A 55 -7.086 2.296 -6.007 1.00 0.00 C ATOM 847 C PHE A 55 -7.072 3.816 -5.875 1.00 0.00 C ATOM 848 O PHE A 55 -8.116 4.464 -5.949 1.00 0.00 O ATOM 849 CB PHE A 55 -8.175 1.712 -5.105 1.00 0.00 C ATOM 850 CG PHE A 55 -8.661 0.404 -5.681 1.00 0.00 C ATOM 851 CD1 PHE A 55 -7.742 -0.586 -6.051 1.00 0.00 C ATOM 852 CD2 PHE A 55 -10.033 0.180 -5.844 1.00 0.00 C ATOM 853 CE1 PHE A 55 -8.197 -1.798 -6.585 1.00 0.00 C ATOM 854 CE2 PHE A 55 -10.488 -1.033 -6.377 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.568 -2.022 -6.748 1.00 0.00 C ATOM 0 H PHE A 55 -5.754 1.291 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.298 2.036 -7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.784 1.555 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.005 2.414 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.683 -0.415 -5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.742 0.943 -5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.488 -2.561 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.547 -1.205 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.917 -2.957 -7.160 1.00 0.00 H new ATOM 865 N GLY A 56 -5.884 4.377 -5.679 1.00 0.00 N ATOM 866 CA GLY A 56 -5.751 5.823 -5.537 1.00 0.00 C ATOM 867 C GLY A 56 -5.809 6.235 -4.070 1.00 0.00 C ATOM 868 O GLY A 56 -6.190 7.360 -3.748 1.00 0.00 O ATOM 0 H GLY A 56 -5.007 3.859 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.807 6.150 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.547 6.321 -6.090 1.00 0.00 H new ATOM 872 N GLY A 57 -5.428 5.316 -3.189 1.00 0.00 N ATOM 873 CA GLY A 57 -5.437 5.593 -1.757 1.00 0.00 C ATOM 874 C GLY A 57 -4.340 6.588 -1.391 1.00 0.00 C ATOM 875 O GLY A 57 -3.585 6.375 -0.443 1.00 0.00 O ATOM 0 H GLY A 57 -5.111 4.379 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.408 5.992 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.294 4.666 -1.202 1.00 0.00 H new ATOM 879 N THR A 58 -4.258 7.675 -2.152 1.00 0.00 N ATOM 880 CA THR A 58 -3.251 8.699 -1.905 1.00 0.00 C ATOM 881 C THR A 58 -3.758 9.714 -0.887 1.00 0.00 C ATOM 882 O THR A 58 -3.323 10.865 -0.872 1.00 0.00 O ATOM 883 CB THR A 58 -2.894 9.413 -3.211 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.041 10.094 -3.704 1.00 0.00 O ATOM 885 CG2 THR A 58 -2.421 8.389 -4.244 1.00 0.00 C ATOM 0 H THR A 58 -4.874 7.868 -2.941 1.00 0.00 H new ATOM 0 HA THR A 58 -2.360 8.215 -1.505 1.00 0.00 H new ATOM 0 HB THR A 58 -2.095 10.131 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.815 10.554 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.167 8.900 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.542 7.869 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.216 7.668 -4.432 1.00 0.00 H new ATOM 893 N ASP A 59 -4.680 9.276 -0.036 1.00 0.00 N ATOM 894 CA ASP A 59 -5.240 10.150 0.987 1.00 0.00 C ATOM 895 C ASP A 59 -4.213 10.404 2.085 1.00 0.00 C ATOM 896 O ASP A 59 -4.565 10.761 3.208 1.00 0.00 O ATOM 897 CB ASP A 59 -6.495 9.515 1.590 1.00 0.00 C ATOM 898 CG ASP A 59 -6.131 8.227 2.324 1.00 0.00 C ATOM 899 OD1 ASP A 59 -4.952 8.005 2.544 1.00 0.00 O ATOM 900 OD2 ASP A 59 -7.038 7.481 2.653 1.00 0.00 O ATOM 0 H ASP A 59 -5.053 8.327 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.506 11.101 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.970 10.213 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.218 9.302 0.803 1.00 0.00 H new ATOM 905 N ARG A 60 -2.942 10.203 1.746 1.00 0.00 N ATOM 906 CA ARG A 60 -1.855 10.400 2.698 1.00 0.00 C ATOM 907 C ARG A 60 -2.007 9.451 3.881 1.00 0.00 C ATOM 908 O ARG A 60 -2.712 9.748 4.846 1.00 0.00 O ATOM 909 CB ARG A 60 -1.840 11.849 3.193 1.00 0.00 C ATOM 910 CG ARG A 60 -1.655 12.791 2.002 1.00 0.00 C ATOM 911 CD ARG A 60 -1.546 14.232 2.501 1.00 0.00 C ATOM 912 NE ARG A 60 -0.261 14.444 3.155 1.00 0.00 N ATOM 913 CZ ARG A 60 0.865 14.511 2.452 1.00 0.00 C ATOM 914 NH1 ARG A 60 0.831 14.383 1.153 1.00 0.00 N ATOM 915 NH2 ARG A 60 2.003 14.705 3.059 1.00 0.00 N ATOM 0 H ARG A 60 -2.641 9.904 0.819 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.912 10.187 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.772 12.078 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.033 11.991 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.758 12.519 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.496 12.696 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.655 14.923 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.356 14.445 3.198 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.225 14.543 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.059 14.232 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.695 14.434 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.029 14.805 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.867 14.756 2.519 1.00 0.00 H new ATOM 929 N PHE A 61 -1.340 8.306 3.792 1.00 0.00 N ATOM 930 CA PHE A 61 -1.401 7.307 4.851 1.00 0.00 C ATOM 931 C PHE A 61 -0.712 7.824 6.114 1.00 0.00 C ATOM 932 O PHE A 61 0.171 8.678 6.042 1.00 0.00 O ATOM 933 CB PHE A 61 -0.727 6.017 4.379 1.00 0.00 C ATOM 934 CG PHE A 61 -1.747 5.142 3.690 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.664 5.704 2.794 1.00 0.00 C ATOM 936 CD2 PHE A 61 -1.773 3.765 3.946 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.608 4.890 2.156 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.717 2.953 3.309 1.00 0.00 C ATOM 939 CZ PHE A 61 -3.636 3.515 2.413 1.00 0.00 C ATOM 0 H PHE A 61 -0.752 8.047 2.999 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.446 7.105 5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.090 6.249 3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.292 5.489 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.643 6.765 2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.064 3.330 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.315 5.324 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.738 1.892 3.508 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.365 2.888 1.921 1.00 0.00 H new ATOM 949 N PRO A 62 -1.101 7.326 7.261 1.00 0.00 N ATOM 950 CA PRO A 62 -0.511 7.751 8.565 1.00 0.00 C ATOM 951 C PRO A 62 1.004 7.562 8.603 1.00 0.00 C ATOM 952 O PRO A 62 1.697 8.206 9.390 1.00 0.00 O ATOM 953 CB PRO A 62 -1.200 6.856 9.605 1.00 0.00 C ATOM 954 CG PRO A 62 -1.859 5.757 8.836 1.00 0.00 C ATOM 955 CD PRO A 62 -2.141 6.307 7.443 1.00 0.00 C ATOM 0 HA PRO A 62 -0.670 8.814 8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.476 6.455 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.932 7.421 10.182 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.213 4.880 8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.782 5.444 9.323 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.077 5.528 6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.140 6.737 7.376 1.00 0.00 H new ATOM 963 N GLY A 63 1.510 6.678 7.750 1.00 0.00 N ATOM 964 CA GLY A 63 2.944 6.418 7.701 1.00 0.00 C ATOM 965 C GLY A 63 3.655 7.456 6.838 1.00 0.00 C ATOM 966 O GLY A 63 3.912 7.225 5.657 1.00 0.00 O ATOM 0 H GLY A 63 0.955 6.134 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.356 6.434 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.124 5.421 7.300 1.00 0.00 H new ATOM 970 N ARG A 64 3.973 8.598 7.437 1.00 0.00 N ATOM 971 CA ARG A 64 4.655 9.665 6.713 1.00 0.00 C ATOM 972 C ARG A 64 5.976 9.165 6.138 1.00 0.00 C ATOM 973 O ARG A 64 6.402 9.600 5.068 1.00 0.00 O ATOM 974 CB ARG A 64 4.917 10.847 7.649 1.00 0.00 C ATOM 975 CG ARG A 64 5.907 10.427 8.737 1.00 0.00 C ATOM 976 CD ARG A 64 5.982 11.519 9.806 1.00 0.00 C ATOM 977 NE ARG A 64 7.000 11.185 10.796 1.00 0.00 N ATOM 978 CZ ARG A 64 8.294 11.315 10.523 1.00 0.00 C ATOM 979 NH1 ARG A 64 8.674 11.751 9.353 1.00 0.00 N ATOM 980 NH2 ARG A 64 9.185 11.009 11.426 1.00 0.00 N ATOM 0 H ARG A 64 3.772 8.808 8.415 1.00 0.00 H new ATOM 0 HA ARG A 64 4.015 9.987 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.316 11.690 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.983 11.180 8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.593 9.485 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.893 10.260 8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.216 12.477 9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.013 11.629 10.293 1.00 0.00 H new ATOM 0 HE ARG A 64 6.713 10.846 11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.978 11.992 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.667 11.851 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.888 10.670 12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.178 11.109 11.217 1.00 0.00 H new ATOM 994 N SER A 65 6.622 8.253 6.857 1.00 0.00 N ATOM 995 CA SER A 65 7.898 7.707 6.407 1.00 0.00 C ATOM 996 C SER A 65 7.710 6.324 5.793 1.00 0.00 C ATOM 997 O SER A 65 7.999 5.308 6.429 1.00 0.00 O ATOM 998 CB SER A 65 8.868 7.616 7.586 1.00 0.00 C ATOM 999 OG SER A 65 9.480 8.882 7.791 1.00 0.00 O ATOM 0 H SER A 65 6.288 7.879 7.745 1.00 0.00 H new ATOM 0 HA SER A 65 8.307 8.373 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.336 7.307 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.628 6.860 7.389 1.00 0.00 H new ATOM 0 HG SER A 65 10.101 8.827 8.547 1.00 0.00 H new ATOM 1005 N MET A 66 7.232 6.288 4.554 1.00 0.00 N ATOM 1006 CA MET A 66 7.020 5.021 3.864 1.00 0.00 C ATOM 1007 C MET A 66 8.331 4.248 3.756 1.00 0.00 C ATOM 1008 O MET A 66 8.352 3.022 3.864 1.00 0.00 O ATOM 1009 CB MET A 66 6.466 5.274 2.460 1.00 0.00 C ATOM 1010 CG MET A 66 5.036 5.813 2.553 1.00 0.00 C ATOM 1011 SD MET A 66 3.885 4.433 2.780 1.00 0.00 S ATOM 1012 CE MET A 66 2.968 5.127 4.176 1.00 0.00 C ATOM 0 H MET A 66 6.986 7.115 4.010 1.00 0.00 H new ATOM 0 HA MET A 66 6.304 4.433 4.438 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.099 5.988 1.933 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.479 4.350 1.883 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.952 6.511 3.386 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.784 6.365 1.648 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.041 4.570 4.316 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.573 5.057 5.080 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.736 6.173 3.975 1.00 0.00 H new ATOM 1022 N ARG A 67 9.422 4.975 3.538 1.00 0.00 N ATOM 1023 CA ARG A 67 10.735 4.354 3.410 1.00 0.00 C ATOM 1024 C ARG A 67 11.108 3.599 4.682 1.00 0.00 C ATOM 1025 O ARG A 67 11.709 2.528 4.623 1.00 0.00 O ATOM 1026 CB ARG A 67 11.790 5.425 3.129 1.00 0.00 C ATOM 1027 CG ARG A 67 11.495 6.093 1.785 1.00 0.00 C ATOM 1028 CD ARG A 67 12.602 7.098 1.461 1.00 0.00 C ATOM 1029 NE ARG A 67 12.237 7.891 0.293 1.00 0.00 N ATOM 1030 CZ ARG A 67 13.125 8.672 -0.313 1.00 0.00 C ATOM 1031 NH1 ARG A 67 14.348 8.740 0.137 1.00 0.00 N ATOM 1032 NH2 ARG A 67 12.774 9.371 -1.357 1.00 0.00 N ATOM 0 H ARG A 67 9.423 5.991 3.447 1.00 0.00 H new ATOM 0 HA ARG A 67 10.697 3.646 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.788 6.170 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.783 4.977 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.431 5.340 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.530 6.598 1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.770 7.753 2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.538 6.571 1.274 1.00 0.00 H new ATOM 0 HE ARG A 67 11.283 7.845 -0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.622 8.194 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.030 9.339 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.818 9.318 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.456 9.970 -1.822 1.00 0.00 H new ATOM 1046 N ALA A 68 10.752 4.167 5.830 1.00 0.00 N ATOM 1047 CA ALA A 68 11.064 3.540 7.110 1.00 0.00 C ATOM 1048 C ALA A 68 10.407 2.168 7.217 1.00 0.00 C ATOM 1049 O ALA A 68 10.979 1.241 7.792 1.00 0.00 O ATOM 1050 CB ALA A 68 10.579 4.429 8.257 1.00 0.00 C ATOM 0 H ALA A 68 10.251 5.053 5.901 1.00 0.00 H new ATOM 0 HA ALA A 68 12.145 3.415 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.815 3.955 9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.075 5.398 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.501 4.568 8.178 1.00 0.00 H new ATOM 1056 N ALA A 69 9.207 2.045 6.663 1.00 0.00 N ATOM 1057 CA ALA A 69 8.486 0.778 6.708 1.00 0.00 C ATOM 1058 C ALA A 69 9.246 -0.304 5.947 1.00 0.00 C ATOM 1059 O ALA A 69 9.246 -1.470 6.343 1.00 0.00 O ATOM 1060 CB ALA A 69 7.093 0.949 6.099 1.00 0.00 C ATOM 0 H ALA A 69 8.716 2.799 6.182 1.00 0.00 H new ATOM 0 HA ALA A 69 8.394 0.473 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.561 -0.001 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.538 1.698 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.186 1.272 5.062 1.00 0.00 H new ATOM 1066 N HIS A 70 9.888 0.086 4.850 1.00 0.00 N ATOM 1067 CA HIS A 70 10.642 -0.866 4.041 1.00 0.00 C ATOM 1068 C HIS A 70 12.136 -0.783 4.344 1.00 0.00 C ATOM 1069 O HIS A 70 12.908 -1.646 3.926 1.00 0.00 O ATOM 1070 CB HIS A 70 10.405 -0.587 2.556 1.00 0.00 C ATOM 1071 CG HIS A 70 8.953 -0.806 2.230 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.016 0.215 2.302 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.260 -1.922 1.831 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.825 -0.304 1.953 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.916 -1.603 1.657 1.00 0.00 N ATOM 0 H HIS A 70 9.902 1.045 4.503 1.00 0.00 H new ATOM 0 HA HIS A 70 10.296 -1.870 4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.692 0.437 2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.028 -1.243 1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.197 1.182 2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.692 -2.900 1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.906 0.262 1.917 1.00 0.00 H new ATOM 1083 N GLN A 71 12.541 0.256 5.068 1.00 0.00 N ATOM 1084 CA GLN A 71 13.950 0.428 5.410 1.00 0.00 C ATOM 1085 C GLN A 71 14.471 -0.784 6.176 1.00 0.00 C ATOM 1086 O GLN A 71 15.591 -1.241 5.946 1.00 0.00 O ATOM 1087 CB GLN A 71 14.137 1.687 6.260 1.00 0.00 C ATOM 1088 CG GLN A 71 15.629 1.945 6.470 1.00 0.00 C ATOM 1089 CD GLN A 71 15.826 3.124 7.416 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.416 3.065 8.575 1.00 0.00 O ATOM 1091 NE2 GLN A 71 16.434 4.197 6.989 1.00 0.00 N ATOM 0 H GLN A 71 11.923 0.984 5.426 1.00 0.00 H new ATOM 0 HA GLN A 71 14.514 0.529 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.675 2.543 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.639 1.566 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.106 1.055 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.109 2.152 5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.773 4.243 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.571 4.990 7.616 1.00 0.00 H new ATOM 1100 N ASP A 72 13.652 -1.299 7.086 1.00 0.00 N ATOM 1101 CA ASP A 72 14.042 -2.458 7.880 1.00 0.00 C ATOM 1102 C ASP A 72 14.320 -3.657 6.981 1.00 0.00 C ATOM 1103 O ASP A 72 15.246 -4.431 7.231 1.00 0.00 O ATOM 1104 CB ASP A 72 12.929 -2.810 8.869 1.00 0.00 C ATOM 1105 CG ASP A 72 12.782 -1.701 9.905 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.661 -0.857 9.969 1.00 0.00 O ATOM 1107 OD2 ASP A 72 11.793 -1.711 10.620 1.00 0.00 O ATOM 0 H ASP A 72 12.721 -0.936 7.291 1.00 0.00 H new ATOM 0 HA ASP A 72 14.952 -2.210 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.988 -2.948 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.157 -3.754 9.364 1.00 0.00 H new ATOM 1112 N LEU A 73 13.513 -3.810 5.937 1.00 0.00 N ATOM 1113 CA LEU A 73 13.680 -4.923 5.010 1.00 0.00 C ATOM 1114 C LEU A 73 15.051 -4.872 4.345 1.00 0.00 C ATOM 1115 O LEU A 73 15.695 -5.903 4.150 1.00 0.00 O ATOM 1116 CB LEU A 73 12.594 -4.867 3.933 1.00 0.00 C ATOM 1117 CG LEU A 73 11.215 -4.850 4.593 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.134 -4.851 3.512 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.054 -6.093 5.473 1.00 0.00 C ATOM 0 H LEU A 73 12.741 -3.182 5.712 1.00 0.00 H new ATOM 0 HA LEU A 73 13.596 -5.853 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.724 -3.977 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.680 -5.728 3.271 1.00 0.00 H new ATOM 0 HG LEU A 73 11.117 -3.954 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.150 -4.839 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.247 -3.968 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.233 -5.747 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.071 -6.081 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.151 -6.988 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.825 -6.096 6.244 1.00 0.00 H new ATOM 1131 N VAL A 74 15.490 -3.668 3.995 1.00 0.00 N ATOM 1132 CA VAL A 74 16.786 -3.494 3.347 1.00 0.00 C ATOM 1133 C VAL A 74 17.922 -3.898 4.281 1.00 0.00 C ATOM 1134 O VAL A 74 18.888 -4.534 3.859 1.00 0.00 O ATOM 1135 CB VAL A 74 16.966 -2.034 2.926 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.385 -1.828 2.395 1.00 0.00 C ATOM 1137 CG2 VAL A 74 15.957 -1.695 1.827 1.00 0.00 C ATOM 0 H VAL A 74 14.972 -2.803 4.148 1.00 0.00 H new ATOM 0 HA VAL A 74 16.815 -4.136 2.467 1.00 0.00 H new ATOM 0 HB VAL A 74 16.802 -1.384 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.514 -0.788 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.105 -2.072 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.549 -2.477 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.083 -0.655 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.123 -2.345 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.945 -1.843 2.204 1.00 0.00 H new ATOM 1147 N GLU A 75 17.804 -3.517 5.549 1.00 0.00 N ATOM 1148 CA GLU A 75 18.834 -3.840 6.530 1.00 0.00 C ATOM 1149 C GLU A 75 18.957 -5.351 6.712 1.00 0.00 C ATOM 1150 O GLU A 75 20.053 -5.871 6.916 1.00 0.00 O ATOM 1151 CB GLU A 75 18.494 -3.191 7.874 1.00 0.00 C ATOM 1152 CG GLU A 75 18.534 -1.668 7.734 1.00 0.00 C ATOM 1153 CD GLU A 75 19.945 -1.211 7.374 1.00 0.00 C ATOM 1154 OE1 GLU A 75 20.867 -1.984 7.576 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.083 -0.094 6.904 1.00 0.00 O ATOM 0 H GLU A 75 17.013 -2.989 5.919 1.00 0.00 H new ATOM 0 HA GLU A 75 19.786 -3.454 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.505 -3.510 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.204 -3.515 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.832 -1.347 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.219 -1.201 8.667 1.00 0.00 H new ATOM 1162 N ASN A 76 17.828 -6.049 6.640 1.00 0.00 N ATOM 1163 CA ASN A 76 17.831 -7.498 6.805 1.00 0.00 C ATOM 1164 C ASN A 76 17.988 -8.200 5.459 1.00 0.00 C ATOM 1165 O ASN A 76 18.956 -8.930 5.240 1.00 0.00 O ATOM 1166 CB ASN A 76 16.527 -7.948 7.466 1.00 0.00 C ATOM 1167 CG ASN A 76 16.421 -7.353 8.866 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.423 -6.920 9.435 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.259 -7.306 9.458 1.00 0.00 N ATOM 0 H ASN A 76 16.909 -5.640 6.470 1.00 0.00 H new ATOM 0 HA ASN A 76 18.676 -7.767 7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.676 -7.633 6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.494 -9.036 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.179 -6.910 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.430 -7.665 8.984 1.00 0.00 H new ATOM 1176 N ALA A 77 17.031 -7.980 4.564 1.00 0.00 N ATOM 1177 CA ALA A 77 17.073 -8.603 3.246 1.00 0.00 C ATOM 1178 C ALA A 77 17.347 -7.564 2.162 1.00 0.00 C ATOM 1179 O ALA A 77 16.946 -6.407 2.281 1.00 0.00 O ATOM 1180 CB ALA A 77 15.745 -9.304 2.959 1.00 0.00 C ATOM 0 H ALA A 77 16.222 -7.380 4.725 1.00 0.00 H new ATOM 0 HA ALA A 77 17.881 -9.334 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.784 -9.767 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.568 -10.071 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.935 -8.575 2.986 1.00 0.00 H new ATOM 1186 N GLY A 78 18.026 -7.989 1.101 1.00 0.00 N ATOM 1187 CA GLY A 78 18.339 -7.088 -0.001 1.00 0.00 C ATOM 1188 C GLY A 78 17.212 -7.082 -1.029 1.00 0.00 C ATOM 1189 O GLY A 78 17.013 -8.059 -1.752 1.00 0.00 O ATOM 0 H GLY A 78 18.367 -8.943 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.495 -6.079 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.270 -7.397 -0.476 1.00 0.00 H new ATOM 1193 N LEU A 79 16.474 -5.979 -1.086 1.00 0.00 N ATOM 1194 CA LEU A 79 15.366 -5.861 -2.027 1.00 0.00 C ATOM 1195 C LEU A 79 15.765 -5.003 -3.224 1.00 0.00 C ATOM 1196 O LEU A 79 16.340 -3.927 -3.065 1.00 0.00 O ATOM 1197 CB LEU A 79 14.153 -5.238 -1.329 1.00 0.00 C ATOM 1198 CG LEU A 79 12.951 -5.249 -2.278 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.490 -6.689 -2.516 1.00 0.00 C ATOM 1200 CD2 LEU A 79 11.806 -4.448 -1.653 1.00 0.00 C ATOM 0 H LEU A 79 16.621 -5.160 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 79 15.108 -6.859 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.918 -5.794 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.380 -4.216 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 79 13.239 -4.802 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.635 -6.690 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.304 -7.263 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.203 -7.141 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.948 -4.454 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.524 -4.899 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.129 -3.421 -1.486 1.00 0.00 H new ATOM 1212 N THR A 80 15.453 -5.488 -4.422 1.00 0.00 N ATOM 1213 CA THR A 80 15.782 -4.759 -5.641 1.00 0.00 C ATOM 1214 C THR A 80 14.521 -4.460 -6.448 1.00 0.00 C ATOM 1215 O THR A 80 13.458 -5.027 -6.193 1.00 0.00 O ATOM 1216 CB THR A 80 16.767 -5.570 -6.485 1.00 0.00 C ATOM 1217 OG1 THR A 80 16.148 -6.772 -6.910 1.00 0.00 O ATOM 1218 CG2 THR A 80 18.007 -5.897 -5.652 1.00 0.00 C ATOM 0 H THR A 80 14.976 -6.377 -4.574 1.00 0.00 H new ATOM 0 HA THR A 80 16.245 -3.812 -5.364 1.00 0.00 H new ATOM 0 HB THR A 80 17.062 -4.987 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.247 -6.828 -6.530 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.708 -6.475 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.483 -4.971 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.715 -6.479 -4.778 1.00 0.00 H new ATOM 1226 N ASP A 81 14.646 -3.553 -7.412 1.00 0.00 N ATOM 1227 CA ASP A 81 13.512 -3.160 -8.246 1.00 0.00 C ATOM 1228 C ASP A 81 12.883 -4.357 -8.959 1.00 0.00 C ATOM 1229 O ASP A 81 11.665 -4.410 -9.130 1.00 0.00 O ATOM 1230 CB ASP A 81 13.967 -2.136 -9.286 1.00 0.00 C ATOM 1231 CG ASP A 81 14.321 -0.821 -8.602 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.960 -0.661 -7.448 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.944 0.009 -9.243 1.00 0.00 O ATOM 0 H ASP A 81 15.519 -3.076 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 81 12.758 -2.725 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.832 -2.517 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.176 -1.973 -10.018 1.00 0.00 H new ATOM 1238 N VAL A 82 13.709 -5.306 -9.389 1.00 0.00 N ATOM 1239 CA VAL A 82 13.195 -6.475 -10.098 1.00 0.00 C ATOM 1240 C VAL A 82 12.085 -7.152 -9.299 1.00 0.00 C ATOM 1241 O VAL A 82 11.099 -7.621 -9.868 1.00 0.00 O ATOM 1242 CB VAL A 82 14.324 -7.474 -10.361 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.607 -8.280 -9.092 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.907 -8.426 -11.485 1.00 0.00 C ATOM 0 H VAL A 82 14.721 -5.291 -9.262 1.00 0.00 H new ATOM 0 HA VAL A 82 12.783 -6.138 -11.049 1.00 0.00 H new ATOM 0 HB VAL A 82 15.224 -6.933 -10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.411 -8.990 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.903 -7.604 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.708 -8.821 -8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.710 -9.139 -11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.006 -8.964 -11.191 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.708 -7.854 -12.391 1.00 0.00 H new ATOM 1254 N HIS A 83 12.244 -7.195 -7.980 1.00 0.00 N ATOM 1255 CA HIS A 83 11.240 -7.815 -7.123 1.00 0.00 C ATOM 1256 C HIS A 83 9.887 -7.135 -7.309 1.00 0.00 C ATOM 1257 O HIS A 83 8.850 -7.797 -7.358 1.00 0.00 O ATOM 1258 CB HIS A 83 11.670 -7.716 -5.658 1.00 0.00 C ATOM 1259 CG HIS A 83 12.906 -8.545 -5.443 1.00 0.00 C ATOM 1260 ND1 HIS A 83 14.182 -8.020 -5.582 1.00 0.00 N ATOM 1261 CD2 HIS A 83 13.079 -9.863 -5.101 1.00 0.00 C ATOM 1262 CE1 HIS A 83 15.057 -9.009 -5.326 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.438 -10.154 -5.028 1.00 0.00 N ATOM 0 H HIS A 83 13.050 -6.812 -7.485 1.00 0.00 H new ATOM 0 HA HIS A 83 11.147 -8.865 -7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.866 -6.677 -5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.868 -8.064 -5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.281 -10.567 -4.917 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.130 -8.891 -5.358 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.869 -11.049 -4.797 1.00 0.00 H new ATOM 1271 N PHE A 84 9.908 -5.810 -7.413 1.00 0.00 N ATOM 1272 CA PHE A 84 8.679 -5.047 -7.596 1.00 0.00 C ATOM 1273 C PHE A 84 7.953 -5.498 -8.859 1.00 0.00 C ATOM 1274 O PHE A 84 6.731 -5.653 -8.866 1.00 0.00 O ATOM 1275 CB PHE A 84 9.006 -3.556 -7.696 1.00 0.00 C ATOM 1276 CG PHE A 84 7.726 -2.758 -7.744 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.084 -2.391 -6.555 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.179 -2.383 -8.978 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.897 -1.650 -6.599 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.993 -1.642 -9.022 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.352 -1.275 -7.833 1.00 0.00 C ATOM 0 H PHE A 84 10.757 -5.246 -7.374 1.00 0.00 H new ATOM 0 HA PHE A 84 8.030 -5.221 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.607 -3.247 -6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.600 -3.363 -8.589 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.505 -2.680 -5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.673 -2.666 -9.896 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.402 -1.368 -5.682 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.572 -1.353 -9.974 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.437 -0.702 -7.867 1.00 0.00 H new ATOM 1291 N ASP A 85 8.713 -5.703 -9.928 1.00 0.00 N ATOM 1292 CA ASP A 85 8.134 -6.135 -11.194 1.00 0.00 C ATOM 1293 C ASP A 85 7.419 -7.474 -11.038 1.00 0.00 C ATOM 1294 O ASP A 85 6.382 -7.711 -11.658 1.00 0.00 O ATOM 1295 CB ASP A 85 9.231 -6.263 -12.252 1.00 0.00 C ATOM 1296 CG ASP A 85 8.608 -6.505 -13.623 1.00 0.00 C ATOM 1297 OD1 ASP A 85 7.393 -6.456 -13.717 1.00 0.00 O ATOM 1298 OD2 ASP A 85 9.356 -6.736 -14.559 1.00 0.00 O ATOM 0 H ASP A 85 9.725 -5.578 -9.944 1.00 0.00 H new ATOM 0 HA ASP A 85 7.407 -5.386 -11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.835 -5.356 -12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.899 -7.085 -11.997 1.00 0.00 H new ATOM 1303 N ALA A 86 7.983 -8.351 -10.212 1.00 0.00 N ATOM 1304 CA ALA A 86 7.394 -9.667 -9.993 1.00 0.00 C ATOM 1305 C ALA A 86 6.051 -9.555 -9.275 1.00 0.00 C ATOM 1306 O ALA A 86 5.022 -9.987 -9.797 1.00 0.00 O ATOM 1307 CB ALA A 86 8.344 -10.532 -9.165 1.00 0.00 C ATOM 0 H ALA A 86 8.840 -8.176 -9.688 1.00 0.00 H new ATOM 0 HA ALA A 86 7.229 -10.130 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.897 -11.513 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.289 -10.646 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.524 -10.055 -8.202 1.00 0.00 H new ATOM 1313 N ILE A 87 6.065 -8.976 -8.079 1.00 0.00 N ATOM 1314 CA ILE A 87 4.835 -8.821 -7.308 1.00 0.00 C ATOM 1315 C ILE A 87 3.845 -7.931 -8.050 1.00 0.00 C ATOM 1316 O ILE A 87 2.631 -8.087 -7.912 1.00 0.00 O ATOM 1317 CB ILE A 87 5.145 -8.219 -5.934 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.926 -8.373 -5.023 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.483 -6.734 -6.085 1.00 0.00 C ATOM 1320 CD1 ILE A 87 4.322 -8.052 -3.581 1.00 0.00 C ATOM 0 H ILE A 87 6.903 -8.610 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 87 4.388 -9.806 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 87 5.996 -8.740 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.128 -7.706 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.537 -9.389 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.703 -6.309 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.353 -6.623 -6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.634 -6.211 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.453 -8.162 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.105 -8.737 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.690 -7.028 -3.524 1.00 0.00 H new ATOM 1332 N ALA A 88 4.369 -6.999 -8.838 1.00 0.00 N ATOM 1333 CA ALA A 88 3.518 -6.090 -9.598 1.00 0.00 C ATOM 1334 C ALA A 88 2.705 -6.860 -10.633 1.00 0.00 C ATOM 1335 O ALA A 88 1.533 -6.563 -10.863 1.00 0.00 O ATOM 1336 CB ALA A 88 4.377 -5.037 -10.300 1.00 0.00 C ATOM 0 H ALA A 88 5.370 -6.853 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 88 2.833 -5.598 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.735 -4.362 -10.866 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.936 -4.469 -9.556 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.073 -5.529 -10.979 1.00 0.00 H new ATOM 1342 N GLU A 89 3.337 -7.852 -11.255 1.00 0.00 N ATOM 1343 CA GLU A 89 2.661 -8.659 -12.264 1.00 0.00 C ATOM 1344 C GLU A 89 1.469 -9.388 -11.653 1.00 0.00 C ATOM 1345 O GLU A 89 0.427 -9.536 -12.291 1.00 0.00 O ATOM 1346 CB GLU A 89 3.637 -9.676 -12.857 1.00 0.00 C ATOM 1347 CG GLU A 89 2.969 -10.415 -14.018 1.00 0.00 C ATOM 1348 CD GLU A 89 2.753 -9.462 -15.189 1.00 0.00 C ATOM 1349 OE1 GLU A 89 3.483 -8.487 -15.275 1.00 0.00 O ATOM 1350 OE2 GLU A 89 1.863 -9.720 -15.982 1.00 0.00 O ATOM 0 H GLU A 89 4.307 -8.114 -11.080 1.00 0.00 H new ATOM 0 HA GLU A 89 2.302 -7.999 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.537 -9.170 -13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.947 -10.387 -12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.590 -11.254 -14.331 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.014 -10.829 -13.695 1.00 0.00 H new ATOM 1357 N ASN A 90 1.631 -9.843 -10.415 1.00 0.00 N ATOM 1358 CA ASN A 90 0.560 -10.557 -9.730 1.00 0.00 C ATOM 1359 C ASN A 90 -0.688 -9.685 -9.632 1.00 0.00 C ATOM 1360 O ASN A 90 -1.810 -10.176 -9.755 1.00 0.00 O ATOM 1361 CB ASN A 90 1.014 -10.960 -8.326 1.00 0.00 C ATOM 1362 CG ASN A 90 2.165 -11.956 -8.417 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.382 -12.563 -9.466 1.00 0.00 O ATOM 1364 ND2 ASN A 90 2.921 -12.162 -7.373 1.00 0.00 N ATOM 0 H ASN A 90 2.486 -9.732 -9.870 1.00 0.00 H new ATOM 0 HA ASN A 90 0.321 -11.452 -10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.329 -10.077 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.182 -11.402 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.693 -12.827 -7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.740 -11.658 -6.505 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.484 -8.391 -9.409 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.602 -7.463 -9.296 1.00 0.00 C ATOM 1373 C LEU A 91 -2.420 -7.455 -10.584 1.00 0.00 C ATOM 1374 O LEU A 91 -3.649 -7.408 -10.548 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.082 -6.051 -9.009 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.261 -5.102 -8.771 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -2.956 -5.453 -7.453 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -1.745 -3.663 -8.703 1.00 0.00 C ATOM 0 H LEU A 91 0.437 -7.964 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.240 -7.788 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.431 -6.064 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.482 -5.697 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.974 -5.202 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.793 -4.774 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.324 -6.478 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.247 -5.357 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.581 -2.984 -8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.031 -3.571 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.255 -3.407 -9.642 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.730 -7.499 -11.718 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.405 -7.495 -13.011 1.00 0.00 C ATOM 1392 C VAL A 92 -3.259 -8.747 -13.180 1.00 0.00 C ATOM 1393 O VAL A 92 -4.389 -8.679 -13.665 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.371 -7.428 -14.137 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -2.072 -7.598 -15.485 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.665 -6.070 -14.098 1.00 0.00 C ATOM 0 H VAL A 92 -0.712 -7.538 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.054 -6.620 -13.056 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.639 -8.225 -14.006 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.335 -7.550 -16.287 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.577 -8.564 -15.513 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.804 -6.802 -15.617 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.072 -6.020 -14.899 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.399 -5.275 -14.230 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.165 -5.947 -13.137 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.712 -9.890 -12.777 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.433 -11.152 -12.892 1.00 0.00 C ATOM 1408 C LEU A 93 -4.705 -11.126 -12.049 1.00 0.00 C ATOM 1409 O LEU A 93 -5.733 -11.679 -12.442 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.540 -12.306 -12.432 1.00 0.00 C ATOM 1411 CG LEU A 93 -1.250 -12.320 -13.257 1.00 0.00 C ATOM 1412 CD1 LEU A 93 -0.384 -13.506 -12.829 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.595 -12.455 -14.742 1.00 0.00 C ATOM 0 H LEU A 93 -1.779 -9.968 -12.371 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.707 -11.296 -13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.305 -12.197 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.066 -13.254 -12.546 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.704 -11.391 -13.092 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.534 -13.516 -13.416 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.138 -13.414 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.931 -14.434 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.677 -12.465 -15.329 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.141 -13.384 -14.906 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.214 -11.612 -15.050 1.00 0.00 H new ATOM 1425 N THR A 94 -4.627 -10.487 -10.886 1.00 0.00 N ATOM 1426 CA THR A 94 -5.778 -10.403 -9.995 1.00 0.00 C ATOM 1427 C THR A 94 -6.948 -9.706 -10.683 1.00 0.00 C ATOM 1428 O THR A 94 -8.097 -10.129 -10.555 1.00 0.00 O ATOM 1429 CB THR A 94 -5.400 -9.635 -8.727 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.265 -10.243 -8.127 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.573 -9.658 -7.745 1.00 0.00 C ATOM 0 H THR A 94 -3.786 -10.024 -10.541 1.00 0.00 H new ATOM 0 HA THR A 94 -6.081 -11.417 -9.733 1.00 0.00 H new ATOM 0 HB THR A 94 -5.165 -8.602 -8.984 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.466 -10.040 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.302 -9.111 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.443 -9.190 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.811 -10.690 -7.486 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.649 -8.635 -11.412 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.688 -7.888 -12.112 1.00 0.00 C ATOM 1441 C LEU A 95 -8.358 -8.761 -13.168 1.00 0.00 C ATOM 1442 O LEU A 95 -9.561 -8.646 -13.409 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.085 -6.647 -12.777 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.363 -5.798 -11.728 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -5.861 -4.506 -12.377 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.325 -5.451 -10.589 1.00 0.00 C ATOM 0 H LEU A 95 -5.705 -8.268 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.438 -7.579 -11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.388 -6.945 -13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.870 -6.061 -13.255 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.520 -6.362 -11.329 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.347 -3.900 -11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.171 -4.749 -13.185 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.707 -3.947 -12.777 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.806 -4.847 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.171 -4.890 -10.986 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.684 -6.369 -10.124 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.576 -9.635 -13.796 1.00 0.00 N ATOM 1459 CA GLN A 96 -8.113 -10.520 -14.823 1.00 0.00 C ATOM 1460 C GLN A 96 -9.225 -11.390 -14.249 1.00 0.00 C ATOM 1461 O GLN A 96 -10.222 -11.665 -14.918 1.00 0.00 O ATOM 1462 CB GLN A 96 -7.000 -11.413 -15.376 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.918 -10.547 -16.023 1.00 0.00 C ATOM 1464 CD GLN A 96 -6.508 -9.750 -17.181 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -7.226 -10.302 -18.015 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -6.246 -8.475 -17.284 1.00 0.00 N ATOM 0 H GLN A 96 -6.579 -9.748 -13.614 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.522 -9.908 -15.627 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.569 -12.012 -14.574 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.409 -12.109 -16.109 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.494 -9.868 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.104 -11.176 -16.382 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.651 -8.019 -16.592 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.636 -7.935 -18.056 1.00 0.00 H new ATOM 1475 N GLU A 97 -9.049 -11.815 -13.003 1.00 0.00 N ATOM 1476 CA GLU A 97 -10.045 -12.650 -12.341 1.00 0.00 C ATOM 1477 C GLU A 97 -11.352 -11.885 -12.163 1.00 0.00 C ATOM 1478 O GLU A 97 -12.434 -12.470 -12.183 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.523 -13.101 -10.975 1.00 0.00 C ATOM 1480 CG GLU A 97 -8.298 -13.996 -11.169 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.800 -14.498 -9.817 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -8.279 -14.003 -8.811 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.945 -15.368 -9.810 1.00 0.00 O ATOM 0 H GLU A 97 -8.231 -11.597 -12.434 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.232 -13.524 -12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.261 -12.234 -10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.301 -13.642 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.552 -14.841 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.508 -13.440 -11.674 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.240 -10.572 -11.986 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.417 -9.730 -11.800 1.00 0.00 C ATOM 1492 C LEU A 98 -13.055 -9.392 -13.144 1.00 0.00 C ATOM 1493 O LEU A 98 -14.072 -8.700 -13.201 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.025 -8.438 -11.081 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.311 -8.774 -9.769 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -10.995 -7.481 -9.015 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.219 -9.654 -8.905 1.00 0.00 C ATOM 0 H LEU A 98 -10.352 -10.070 -11.967 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.140 -10.278 -11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.374 -7.839 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.913 -7.839 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.385 -9.306 -9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.487 -7.720 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.351 -6.851 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.922 -6.950 -8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.711 -9.894 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.144 -9.120 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.449 -10.576 -9.440 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.454 -9.882 -14.223 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.979 -9.619 -15.559 1.00 0.00 C ATOM 1511 C ASN A 99 -12.978 -8.122 -15.850 1.00 0.00 C ATOM 1512 O ASN A 99 -13.992 -7.559 -16.262 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.404 -10.164 -15.677 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.789 -10.302 -17.146 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -14.006 -9.953 -18.029 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.956 -10.792 -17.462 1.00 0.00 N ATOM 0 H ASN A 99 -11.612 -10.457 -14.201 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.338 -10.119 -16.286 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.474 -11.132 -15.182 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -15.101 -9.496 -15.171 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.221 -10.886 -18.442 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.603 -11.081 -16.729 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.834 -7.483 -15.630 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.709 -6.049 -15.868 1.00 0.00 C ATOM 1525 C VAL A 100 -10.989 -5.789 -17.189 1.00 0.00 C ATOM 1526 O VAL A 100 -10.016 -6.464 -17.520 1.00 0.00 O ATOM 1527 CB VAL A 100 -10.933 -5.395 -14.724 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -10.883 -3.882 -14.939 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.632 -5.694 -13.395 1.00 0.00 C ATOM 0 H VAL A 100 -10.984 -7.932 -15.289 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.709 -5.618 -15.919 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.919 -5.794 -14.701 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.330 -3.417 -14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.386 -3.665 -15.885 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.898 -3.484 -14.963 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.079 -5.228 -12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.646 -5.296 -13.420 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.669 -6.772 -13.238 1.00 0.00 H new ATOM 1539 N SER A 101 -11.480 -4.808 -17.941 1.00 0.00 N ATOM 1540 CA SER A 101 -10.879 -4.471 -19.227 1.00 0.00 C ATOM 1541 C SER A 101 -9.403 -4.120 -19.058 1.00 0.00 C ATOM 1542 O SER A 101 -9.011 -3.496 -18.072 1.00 0.00 O ATOM 1543 CB SER A 101 -11.618 -3.291 -19.856 1.00 0.00 C ATOM 1544 OG SER A 101 -11.073 -3.026 -21.142 1.00 0.00 O ATOM 0 H SER A 101 -12.285 -4.237 -17.685 1.00 0.00 H new ATOM 0 HA SER A 101 -10.959 -5.340 -19.881 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.681 -3.515 -19.938 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.527 -2.410 -19.221 1.00 0.00 H new ATOM 0 HG SER A 101 -11.546 -2.270 -21.549 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.592 -4.533 -20.026 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.158 -4.269 -19.983 1.00 0.00 C ATOM 1552 C GLN A 102 -6.874 -2.769 -19.937 1.00 0.00 C ATOM 1553 O GLN A 102 -5.935 -2.329 -19.274 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.483 -4.878 -21.213 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.962 -4.797 -21.057 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.489 -5.818 -20.029 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -3.298 -5.887 -19.724 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -5.355 -6.621 -19.474 1.00 0.00 N ATOM 0 H GLN A 102 -8.902 -5.051 -20.848 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.757 -4.723 -19.077 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.792 -5.917 -21.333 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.795 -4.347 -22.112 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.479 -4.984 -22.016 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.673 -3.793 -20.745 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.341 -6.562 -19.728 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.046 -7.308 -18.786 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.678 -1.990 -20.654 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.484 -0.544 -20.691 1.00 0.00 C ATOM 1569 C ASP A 103 -7.500 0.045 -19.283 1.00 0.00 C ATOM 1570 O ASP A 103 -6.676 0.896 -18.950 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.586 0.107 -21.529 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.434 -0.295 -22.992 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.400 -0.847 -23.331 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.355 -0.046 -23.752 1.00 0.00 O ATOM 0 H ASP A 103 -8.462 -2.330 -21.211 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.512 -0.342 -21.141 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.565 -0.199 -21.159 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.534 1.192 -21.434 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.435 -0.416 -18.460 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.535 0.076 -17.091 1.00 0.00 C ATOM 1581 C LEU A 104 -7.309 -0.339 -16.285 1.00 0.00 C ATOM 1582 O LEU A 104 -6.828 0.413 -15.437 1.00 0.00 O ATOM 1583 CB LEU A 104 -9.798 -0.473 -16.426 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.031 -0.043 -17.225 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.292 -0.576 -16.543 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.097 1.486 -17.284 1.00 0.00 C ATOM 0 H LEU A 104 -9.127 -1.121 -18.713 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.588 1.164 -17.119 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.749 -1.561 -16.372 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.870 -0.106 -15.402 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.963 -0.444 -18.236 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.170 -0.270 -17.112 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.249 -1.664 -16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.356 -0.174 -15.532 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.975 1.791 -17.853 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.163 1.887 -16.272 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.199 1.871 -17.768 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.809 -1.540 -16.557 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.638 -2.046 -15.852 1.00 0.00 C ATOM 1600 C ILE A 105 -4.439 -1.130 -16.076 1.00 0.00 C ATOM 1601 O ILE A 105 -3.667 -0.867 -15.154 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.303 -3.457 -16.338 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.492 -4.382 -16.068 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.072 -3.975 -15.592 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.221 -5.758 -16.678 1.00 0.00 C ATOM 0 H ILE A 105 -7.193 -2.177 -17.255 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.865 -2.074 -14.786 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.095 -3.435 -17.408 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.657 -4.475 -14.995 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.401 -3.957 -16.494 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.833 -4.981 -15.938 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.226 -3.315 -15.783 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.278 -3.999 -14.522 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.069 -6.415 -16.485 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.078 -5.657 -17.754 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.323 -6.184 -16.231 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.290 -0.647 -17.305 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.181 0.239 -17.634 1.00 0.00 C ATOM 1619 C ASP A 106 -3.209 1.479 -16.749 1.00 0.00 C ATOM 1620 O ASP A 106 -2.168 1.949 -16.289 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.261 0.655 -19.104 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.013 -0.553 -20.001 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.577 -1.569 -19.487 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.262 -0.442 -21.191 1.00 0.00 O ATOM 0 H ASP A 106 -4.917 -0.852 -18.083 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.248 -0.297 -17.461 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.241 1.082 -19.317 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.524 1.430 -19.312 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.407 2.003 -16.510 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.555 3.187 -15.673 1.00 0.00 C ATOM 1631 C GLU A 107 -4.134 2.880 -14.240 1.00 0.00 C ATOM 1632 O GLU A 107 -3.556 3.727 -13.556 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.011 3.660 -15.689 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.385 4.112 -17.103 1.00 0.00 C ATOM 1635 CD GLU A 107 -7.812 4.647 -17.119 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -8.491 4.498 -16.117 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.205 5.201 -18.133 1.00 0.00 O ATOM 0 H GLU A 107 -5.281 1.630 -16.880 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.914 3.974 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.670 2.854 -15.367 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.145 4.482 -14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.694 4.885 -17.441 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.293 3.276 -17.797 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.427 1.664 -13.792 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.075 1.250 -12.439 1.00 0.00 C ATOM 1646 C VAL A 108 -2.561 1.222 -12.262 1.00 0.00 C ATOM 1647 O VAL A 108 -2.040 1.612 -11.217 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.648 -0.139 -12.153 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.136 -0.635 -10.801 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.176 -0.061 -12.121 1.00 0.00 C ATOM 0 H VAL A 108 -4.905 0.951 -14.343 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.498 1.970 -11.739 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.334 -0.830 -12.935 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.545 -1.625 -10.598 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.048 -0.689 -10.822 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.450 0.055 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.587 -1.050 -11.917 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.489 0.630 -11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.543 0.293 -13.085 1.00 0.00 H new ATOM 1660 N VAL A 109 -1.860 0.754 -13.290 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.405 0.674 -13.238 1.00 0.00 C ATOM 1662 C VAL A 109 0.207 2.057 -13.040 1.00 0.00 C ATOM 1663 O VAL A 109 1.169 2.218 -12.290 1.00 0.00 O ATOM 1664 CB VAL A 109 0.129 0.062 -14.535 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.655 0.160 -14.556 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.287 -1.408 -14.612 1.00 0.00 C ATOM 0 H VAL A 109 -2.273 0.427 -14.163 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.127 0.044 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.281 0.603 -15.388 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.035 -0.276 -15.480 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.953 1.207 -14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.066 -0.381 -13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.093 -1.846 -15.535 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.124 -1.948 -13.759 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.375 -1.480 -14.597 1.00 0.00 H new ATOM 1676 N THR A 110 -0.354 3.051 -13.720 1.00 0.00 N ATOM 1677 CA THR A 110 0.150 4.417 -13.613 1.00 0.00 C ATOM 1678 C THR A 110 0.093 4.906 -12.168 1.00 0.00 C ATOM 1679 O THR A 110 1.017 5.565 -11.691 1.00 0.00 O ATOM 1680 CB THR A 110 -0.678 5.348 -14.501 1.00 0.00 C ATOM 1681 OG1 THR A 110 -0.682 4.851 -15.831 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.068 6.751 -14.479 1.00 0.00 C ATOM 0 H THR A 110 -1.151 2.939 -14.346 1.00 0.00 H new ATOM 0 HA THR A 110 1.189 4.425 -13.942 1.00 0.00 H new ATOM 0 HB THR A 110 -1.701 5.393 -14.128 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.213 5.445 -16.401 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.658 7.414 -15.112 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.066 7.131 -13.457 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.955 6.709 -14.852 1.00 0.00 H new ATOM 1690 N ILE A 111 -0.998 4.587 -11.479 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.160 5.007 -10.092 1.00 0.00 C ATOM 1692 C ILE A 111 -0.023 4.471 -9.225 1.00 0.00 C ATOM 1693 O ILE A 111 0.612 5.222 -8.485 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.498 4.505 -9.548 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.639 5.092 -10.383 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.654 4.945 -8.091 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -4.964 4.455 -9.963 1.00 0.00 C ATOM 0 H ILE A 111 -1.776 4.044 -11.854 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.138 6.096 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.528 3.417 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.684 6.172 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.457 4.912 -11.443 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.608 4.587 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.841 4.529 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.624 6.033 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.774 4.875 -10.559 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.917 3.378 -10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.147 4.658 -8.908 1.00 0.00 H new ATOM 1709 N VAL A 112 0.229 3.170 -9.325 1.00 0.00 N ATOM 1710 CA VAL A 112 1.293 2.546 -8.547 1.00 0.00 C ATOM 1711 C VAL A 112 2.636 2.699 -9.253 1.00 0.00 C ATOM 1712 O VAL A 112 3.692 2.566 -8.637 1.00 0.00 O ATOM 1713 CB VAL A 112 0.987 1.061 -8.342 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.398 0.906 -7.713 1.00 0.00 C ATOM 1715 CG2 VAL A 112 1.016 0.345 -9.694 1.00 0.00 C ATOM 0 H VAL A 112 -0.285 2.531 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 112 1.348 3.043 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 112 1.736 0.624 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.615 -0.152 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.420 1.417 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.148 1.343 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.798 -0.713 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.267 0.783 -10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.003 0.454 -10.143 1.00 0.00 H new ATOM 1725 N GLY A 113 2.584 2.972 -10.552 1.00 0.00 N ATOM 1726 CA GLY A 113 3.800 3.134 -11.340 1.00 0.00 C ATOM 1727 C GLY A 113 4.448 4.491 -11.086 1.00 0.00 C ATOM 1728 O GLY A 113 5.344 4.905 -11.822 1.00 0.00 O ATOM 0 H GLY A 113 1.718 3.085 -11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.505 2.340 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.565 3.033 -12.400 1.00 0.00 H new ATOM 1732 N SER A 114 3.992 5.180 -10.046 1.00 0.00 N ATOM 1733 CA SER A 114 4.543 6.490 -9.718 1.00 0.00 C ATOM 1734 C SER A 114 6.041 6.384 -9.450 1.00 0.00 C ATOM 1735 O SER A 114 6.512 5.397 -8.884 1.00 0.00 O ATOM 1736 CB SER A 114 3.840 7.059 -8.486 1.00 0.00 C ATOM 1737 OG SER A 114 2.442 7.136 -8.737 1.00 0.00 O ATOM 0 H SER A 114 3.252 4.859 -9.422 1.00 0.00 H new ATOM 0 HA SER A 114 4.382 7.156 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.031 6.426 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.234 8.048 -8.252 1.00 0.00 H new ATOM 0 HG SER A 114 2.029 6.266 -8.556 1.00 0.00 H new ATOM 1743 N VAL A 115 6.784 7.405 -9.863 1.00 0.00 N ATOM 1744 CA VAL A 115 8.229 7.416 -9.666 1.00 0.00 C ATOM 1745 C VAL A 115 8.581 7.515 -8.185 1.00 0.00 C ATOM 1746 O VAL A 115 9.510 6.859 -7.713 1.00 0.00 O ATOM 1747 CB VAL A 115 8.848 8.597 -10.416 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.335 8.697 -10.074 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.686 8.385 -11.923 1.00 0.00 C ATOM 0 H VAL A 115 6.413 8.231 -10.333 1.00 0.00 H new ATOM 0 HA VAL A 115 8.630 6.480 -10.056 1.00 0.00 H new ATOM 0 HB VAL A 115 8.345 9.518 -10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.776 9.539 -10.609 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.452 8.847 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.839 7.776 -10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.127 9.226 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.189 7.464 -12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.626 8.314 -12.169 1.00 0.00 H new ATOM 1759 N GLN A 116 7.842 8.348 -7.459 1.00 0.00 N ATOM 1760 CA GLN A 116 8.099 8.535 -6.035 1.00 0.00 C ATOM 1761 C GLN A 116 7.991 7.215 -5.277 1.00 0.00 C ATOM 1762 O GLN A 116 8.822 6.916 -4.419 1.00 0.00 O ATOM 1763 CB GLN A 116 7.101 9.539 -5.455 1.00 0.00 C ATOM 1764 CG GLN A 116 7.490 9.872 -4.014 1.00 0.00 C ATOM 1765 CD GLN A 116 6.435 10.775 -3.384 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.279 10.375 -3.242 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.765 11.976 -2.996 1.00 0.00 N ATOM 0 H GLN A 116 7.068 8.900 -7.828 1.00 0.00 H new ATOM 0 HA GLN A 116 9.114 8.915 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.090 10.447 -6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.093 9.124 -5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.588 8.954 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.461 10.366 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.723 12.305 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.065 12.586 -2.574 1.00 0.00 H new ATOM 1776 N HIS A 117 6.966 6.429 -5.592 1.00 0.00 N ATOM 1777 CA HIS A 117 6.775 5.148 -4.920 1.00 0.00 C ATOM 1778 C HIS A 117 7.944 4.212 -5.211 1.00 0.00 C ATOM 1779 O HIS A 117 8.473 3.565 -4.309 1.00 0.00 O ATOM 1780 CB HIS A 117 5.466 4.501 -5.377 1.00 0.00 C ATOM 1781 CG HIS A 117 5.093 3.401 -4.419 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.414 3.459 -3.073 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.406 2.226 -4.593 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.926 2.348 -2.490 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.299 1.559 -3.374 1.00 0.00 N ATOM 0 H HIS A 117 6.264 6.652 -6.298 1.00 0.00 H new ATOM 0 HA HIS A 117 6.728 5.327 -3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.673 5.248 -5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.578 4.099 -6.384 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.927 4.208 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.008 1.872 -5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.027 2.120 -1.439 1.00 0.00 H new ATOM 1793 N ARG A 118 8.344 4.148 -6.477 1.00 0.00 N ATOM 1794 CA ARG A 118 9.455 3.289 -6.872 1.00 0.00 C ATOM 1795 C ARG A 118 10.725 3.682 -6.121 1.00 0.00 C ATOM 1796 O ARG A 118 11.468 2.825 -5.642 1.00 0.00 O ATOM 1797 CB ARG A 118 9.693 3.412 -8.379 1.00 0.00 C ATOM 1798 CG ARG A 118 10.788 2.434 -8.809 1.00 0.00 C ATOM 1799 CD ARG A 118 11.079 2.622 -10.299 1.00 0.00 C ATOM 1800 NE ARG A 118 12.031 1.618 -10.761 1.00 0.00 N ATOM 1801 CZ ARG A 118 11.621 0.442 -11.224 1.00 0.00 C ATOM 1802 NH1 ARG A 118 10.347 0.162 -11.261 1.00 0.00 N ATOM 1803 NH2 ARG A 118 12.493 -0.435 -11.642 1.00 0.00 N ATOM 0 H ARG A 118 7.920 4.675 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 118 9.204 2.258 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.771 3.202 -8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.984 4.432 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.693 2.605 -8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.472 1.409 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.153 2.545 -10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.479 3.620 -10.475 1.00 0.00 H new ATOM 0 HE ARG A 118 13.030 1.822 -10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 118 9.665 0.846 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.033 -0.741 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.489 -0.217 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.178 -1.338 -11.997 1.00 0.00 H new ATOM 1817 N ASN A 119 10.963 4.986 -6.021 1.00 0.00 N ATOM 1818 CA ASN A 119 12.142 5.488 -5.325 1.00 0.00 C ATOM 1819 C ASN A 119 12.116 5.081 -3.856 1.00 0.00 C ATOM 1820 O ASN A 119 13.153 4.785 -3.264 1.00 0.00 O ATOM 1821 CB ASN A 119 12.201 7.013 -5.432 1.00 0.00 C ATOM 1822 CG ASN A 119 12.377 7.428 -6.889 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.770 6.613 -7.725 1.00 0.00 O ATOM 1824 ND2 ASN A 119 12.107 8.654 -7.247 1.00 0.00 N ATOM 0 H ASN A 119 10.359 5.710 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 119 13.026 5.055 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.287 7.450 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.028 7.396 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.221 8.938 -8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.782 9.328 -6.554 1.00 0.00 H new ATOM 1831 N ASP A 120 10.921 5.072 -3.272 1.00 0.00 N ATOM 1832 CA ASP A 120 10.772 4.706 -1.868 1.00 0.00 C ATOM 1833 C ASP A 120 11.282 3.291 -1.620 1.00 0.00 C ATOM 1834 O ASP A 120 11.881 3.014 -0.582 1.00 0.00 O ATOM 1835 CB ASP A 120 9.303 4.804 -1.453 1.00 0.00 C ATOM 1836 CG ASP A 120 8.847 6.258 -1.493 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.700 7.124 -1.597 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.650 6.486 -1.421 1.00 0.00 O ATOM 0 H ASP A 120 10.049 5.312 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 120 11.364 5.399 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.687 4.202 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.172 4.401 -0.449 1.00 0.00 H new ATOM 1843 N VAL A 121 11.042 2.397 -2.573 1.00 0.00 N ATOM 1844 CA VAL A 121 11.485 1.014 -2.431 1.00 0.00 C ATOM 1845 C VAL A 121 13.005 0.952 -2.303 1.00 0.00 C ATOM 1846 O VAL A 121 13.538 0.226 -1.465 1.00 0.00 O ATOM 1847 CB VAL A 121 11.039 0.195 -3.644 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.683 -1.191 -3.590 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.516 0.049 -3.624 1.00 0.00 C ATOM 0 H VAL A 121 10.549 2.601 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 121 11.037 0.598 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 121 11.346 0.702 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.365 -1.774 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.768 -1.089 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.376 -1.700 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.195 -0.534 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.211 -0.459 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.055 1.036 -3.661 1.00 0.00 H new ATOM 1859 N LEU A 122 13.695 1.722 -3.139 1.00 0.00 N ATOM 1860 CA LEU A 122 15.154 1.752 -3.111 1.00 0.00 C ATOM 1861 C LEU A 122 15.660 2.512 -1.887 1.00 0.00 C ATOM 1862 O LEU A 122 16.819 2.371 -1.497 1.00 0.00 O ATOM 1863 CB LEU A 122 15.689 2.408 -4.385 1.00 0.00 C ATOM 1864 CG LEU A 122 15.231 1.608 -5.607 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.750 2.275 -6.881 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.785 0.184 -5.523 1.00 0.00 C ATOM 0 H LEU A 122 13.271 2.330 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 122 15.515 0.725 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.331 3.435 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.778 2.452 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 122 14.142 1.577 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.423 1.704 -7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.358 3.290 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.839 2.307 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.459 -0.385 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.874 0.218 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.417 -0.297 -4.616 1.00 0.00 H new ATOM 1878 N ASN A 123 14.789 3.326 -1.295 1.00 0.00 N ATOM 1879 CA ASN A 123 15.162 4.115 -0.123 1.00 0.00 C ATOM 1880 C ASN A 123 16.319 5.050 -0.453 1.00 0.00 C ATOM 1881 O ASN A 123 17.269 5.178 0.319 1.00 0.00 O ATOM 1882 CB ASN A 123 15.561 3.197 1.038 1.00 0.00 C ATOM 1883 CG ASN A 123 14.369 2.353 1.477 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.221 2.735 1.255 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.574 1.222 2.095 1.00 0.00 N ATOM 0 H ASN A 123 13.826 3.456 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 123 14.297 4.709 0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.382 2.548 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.921 3.794 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.782 0.654 2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.526 0.906 2.278 1.00 0.00 H new ATOM 1892 N ARG A 124 16.233 5.705 -1.608 1.00 0.00 N ATOM 1893 CA ARG A 124 17.278 6.628 -2.032 1.00 0.00 C ATOM 1894 C ARG A 124 16.767 8.066 -2.003 1.00 0.00 C ATOM 1895 O ARG A 124 16.512 8.561 -0.917 1.00 0.00 O ATOM 1896 CB ARG A 124 17.740 6.279 -3.448 1.00 0.00 C ATOM 1897 CG ARG A 124 18.398 4.898 -3.445 1.00 0.00 C ATOM 1898 CD ARG A 124 18.921 4.579 -4.846 1.00 0.00 C ATOM 1899 NE ARG A 124 20.047 5.446 -5.175 1.00 0.00 N ATOM 1900 CZ ARG A 124 21.218 5.317 -4.560 1.00 0.00 C ATOM 1901 NH1 ARG A 124 21.374 4.402 -3.642 1.00 0.00 N ATOM 1902 NH2 ARG A 124 22.210 6.104 -4.873 1.00 0.00 N ATOM 1903 OXT ARG A 124 16.638 8.650 -3.066 1.00 0.00 O ATOM 0 H ARG A 124 15.456 5.614 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 124 18.118 6.538 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.891 6.287 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.445 7.029 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 124 19.217 4.875 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 124 17.678 4.141 -3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 124 19.230 3.535 -4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 124 18.125 4.712 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 124 19.934 6.164 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 124 20.598 3.787 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 124 22.272 4.302 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 124 22.087 6.819 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 124 23.109 6.005 -4.401 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.816 -2.387 1.728 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.538 -2.636 5.093 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.898 0.401 1.775 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.102 -2.142 -1.640 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.694 -5.203 1.675 1.00 0.00 C HETATM 1923 NA HEB A 125 3.920 -1.345 3.126 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.907 -1.580 4.485 1.00 0.00 C HETATM 1925 C2A HEB A 125 3.137 -0.584 5.188 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.662 0.268 4.248 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.155 -0.208 2.978 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.783 1.453 4.478 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.924 -0.497 6.664 1.00 0.00 C HETATM 1930 CBA HEB A 125 1.789 -1.403 7.144 1.00 0.00 C HETATM 1931 CGA HEB A 125 1.512 -1.153 8.622 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.273 -1.647 9.438 1.00 0.00 O HETATM 1933 O2A HEB A 125 0.544 -0.473 8.917 1.00 0.00 O HETATM 1934 NB HEB A 125 4.148 -1.141 0.367 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.357 -0.028 0.558 1.00 0.00 C HETATM 1936 C2B HEB A 125 3.066 0.637 -0.683 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.681 -0.063 -1.660 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.357 -1.172 -1.002 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.246 1.869 -0.857 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.628 0.257 -3.123 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.191 0.353 -3.637 1.00 0.00 C HETATM 1942 NC HEB A 125 5.701 -3.435 0.333 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.727 -3.194 -1.023 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.489 -4.196 -1.723 1.00 0.00 C HETATM 1945 C3C HEB A 125 6.935 -5.063 -0.788 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.445 -4.586 0.478 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.737 -4.265 -3.190 1.00 0.00 C HETATM 1948 CAC HEB A 125 7.709 -6.184 -1.004 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.139 -7.374 -1.408 1.00 0.00 C HETATM 1950 ND HEB A 125 5.472 -3.641 3.084 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.245 -4.770 2.898 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.521 -5.436 4.151 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.907 -4.710 5.113 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.265 -3.602 4.448 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.332 -6.675 4.349 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.881 -5.007 6.577 1.00 0.00 C HETATM 1957 CBD HEB A 125 6.914 -4.191 7.357 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.451 -4.008 8.799 1.00 0.00 C HETATM 1959 O1D HEB A 125 6.972 -3.124 9.459 1.00 0.00 O HETATM 1960 O2D HEB A 125 5.583 -4.754 9.221 1.00 0.00 O HETATM 0 HMD3 HEB A 125 6.884 -7.496 3.789 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.348 -6.505 3.994 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.356 -6.929 5.409 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 5.786 -4.342 -3.717 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.259 -3.364 -3.514 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.348 -5.139 -3.415 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.236 1.689 -0.489 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.696 2.688 -0.296 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.205 2.133 -1.914 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.848 1.129 4.936 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 2.287 2.157 5.140 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.571 1.939 3.526 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 7.879 -4.697 7.337 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 7.054 -3.219 6.885 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 7.766 -8.250 -1.574 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.062 -7.438 -1.561 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.684 -0.599 -3.479 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.663 1.140 -3.098 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.200 0.586 -4.702 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 0.889 -1.213 6.560 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 2.056 -2.448 6.987 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 4.886 -4.798 6.970 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.069 -6.069 6.733 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 3.845 -0.770 7.178 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.701 0.535 6.936 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.297 -6.111 1.655 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.202 -2.065 -2.723 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.279 1.298 1.789 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.454 -2.713 6.177 1.00 0.00 H new HETATM 0 HAC HEB A 125 8.787 -6.129 -0.853 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.162 -0.511 -3.682 1.00 0.00 H new