USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -11.4! C(o=-26!,f=-30!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -14.9! (180deg=-8.88!) USER MOD Set 2.1: A 75 SER OG : rot -25:sc= -2.19! USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -5.24! (180deg=-3.31!) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -12.5! C(o=-11!,f=-19!) USER MOD Set 3.2: A 34 TYR OH : rot 48:sc= 1.05 USER MOD Set 4.1: A 25 THR OG1 : rot -43:sc= 1.03 USER MOD Set 4.2: A 37 THR OG1 : rot 33:sc= 1.28 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -5.5! C(o=-9.2!,f=-12!) USER MOD Set 5.2: A 24 SER OG : rot 173:sc= -3.65! USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.133 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 17 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -15.2! C(o=-15!,f=-11!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 137:sc= 0.212 USER MOD Single : A 61 ASN : amide:sc= -3.24 K(o=-3.2,f=-1.4) USER MOD Single : A 68 SER OG : rot -109:sc= 1.23 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -58:sc= 0.844 USER MOD Single : A 84 HIS : no HD1:sc= -10.7! C(o=-11!,f=-8.6!) USER MOD Single : A 89 SER OG : rot -33:sc= 0.145 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -1:sc= 0.32! USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -6.33! (180deg=-6.33!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 34.001 1.229 -32.472 1.00 0.00 N ATOM 2 CA ALA A 1 32.679 1.684 -32.867 1.00 0.00 C ATOM 3 C ALA A 1 31.775 1.745 -31.634 1.00 0.00 C ATOM 4 O ALA A 1 32.217 1.462 -30.522 1.00 0.00 O ATOM 5 CB ALA A 1 32.123 0.761 -33.953 1.00 0.00 C ATOM 0 H1 ALA A 1 34.692 1.990 -32.631 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.993 0.973 -31.464 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.266 0.398 -33.038 1.00 0.00 H new ATOM 0 HA ALA A 1 32.730 2.688 -33.288 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.131 1.103 -34.249 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.785 0.777 -34.818 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.056 -0.256 -33.567 1.00 0.00 H new ATOM 11 N GLU A 2 30.525 2.117 -31.873 1.00 0.00 N ATOM 12 CA GLU A 2 29.555 2.218 -30.796 1.00 0.00 C ATOM 13 C GLU A 2 28.209 1.642 -31.239 1.00 0.00 C ATOM 14 O GLU A 2 28.040 1.272 -32.399 1.00 0.00 O ATOM 15 CB GLU A 2 29.406 3.666 -30.328 1.00 0.00 C ATOM 16 CG GLU A 2 29.322 3.744 -28.802 1.00 0.00 C ATOM 17 CD GLU A 2 30.699 4.007 -28.189 1.00 0.00 C ATOM 18 OE1 GLU A 2 31.432 3.013 -27.998 1.00 0.00 O ATOM 19 OE2 GLU A 2 30.987 5.194 -27.928 1.00 0.00 O ATOM 0 H GLU A 2 30.162 2.352 -32.797 1.00 0.00 H new ATOM 0 HA GLU A 2 29.917 1.633 -29.950 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.254 4.254 -30.680 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.510 4.104 -30.768 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.634 4.538 -28.512 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.917 2.812 -28.409 1.00 0.00 H new ATOM 26 N GLU A 3 27.286 1.585 -30.290 1.00 0.00 N ATOM 27 CA GLU A 3 25.959 1.062 -30.568 1.00 0.00 C ATOM 28 C GLU A 3 25.039 1.284 -29.366 1.00 0.00 C ATOM 29 O GLU A 3 25.484 1.738 -28.314 1.00 0.00 O ATOM 30 CB GLU A 3 26.023 -0.421 -30.943 1.00 0.00 C ATOM 31 CG GLU A 3 25.641 -0.632 -32.410 1.00 0.00 C ATOM 32 CD GLU A 3 25.813 -2.098 -32.816 1.00 0.00 C ATOM 33 OE1 GLU A 3 26.812 -2.698 -32.364 1.00 0.00 O ATOM 34 OE2 GLU A 3 24.943 -2.583 -33.570 1.00 0.00 O ATOM 0 H GLU A 3 27.431 1.892 -29.328 1.00 0.00 H new ATOM 0 HA GLU A 3 25.547 1.602 -31.421 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.029 -0.801 -30.767 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.350 -0.991 -30.303 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.607 -0.326 -32.568 1.00 0.00 H new ATOM 0 HG3 GLU A 3 26.261 0.000 -33.046 1.00 0.00 H new ATOM 41 N SER A 4 23.771 0.951 -29.563 1.00 0.00 N ATOM 42 CA SER A 4 22.784 1.108 -28.508 1.00 0.00 C ATOM 43 C SER A 4 21.460 0.470 -28.932 1.00 0.00 C ATOM 44 O SER A 4 21.308 0.049 -30.077 1.00 0.00 O ATOM 45 CB SER A 4 22.576 2.585 -28.165 1.00 0.00 C ATOM 46 OG SER A 4 21.953 3.298 -29.230 1.00 0.00 O ATOM 0 H SER A 4 23.405 0.573 -30.437 1.00 0.00 H new ATOM 0 HA SER A 4 23.153 0.604 -27.615 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.963 2.666 -27.267 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.538 3.043 -27.936 1.00 0.00 H new ATOM 0 HG SER A 4 21.836 4.236 -28.971 1.00 0.00 H new ATOM 52 N SER A 5 20.535 0.418 -27.985 1.00 0.00 N ATOM 53 CA SER A 5 19.228 -0.163 -28.245 1.00 0.00 C ATOM 54 C SER A 5 18.243 0.257 -27.153 1.00 0.00 C ATOM 55 O SER A 5 18.622 0.925 -26.192 1.00 0.00 O ATOM 56 CB SER A 5 19.310 -1.689 -28.329 1.00 0.00 C ATOM 57 OG SER A 5 18.797 -2.184 -29.563 1.00 0.00 O ATOM 0 H SER A 5 20.664 0.769 -27.036 1.00 0.00 H new ATOM 0 HA SER A 5 18.874 0.208 -29.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.348 -2.003 -28.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.752 -2.128 -27.502 1.00 0.00 H new ATOM 0 HG SER A 5 18.869 -3.161 -29.579 1.00 0.00 H new ATOM 63 N LYS A 6 16.996 -0.152 -27.336 1.00 0.00 N ATOM 64 CA LYS A 6 15.952 0.172 -26.380 1.00 0.00 C ATOM 65 C LYS A 6 14.721 -0.690 -26.661 1.00 0.00 C ATOM 66 O LYS A 6 14.148 -0.625 -27.748 1.00 0.00 O ATOM 67 CB LYS A 6 15.666 1.675 -26.389 1.00 0.00 C ATOM 68 CG LYS A 6 16.192 2.344 -25.116 1.00 0.00 C ATOM 69 CD LYS A 6 15.322 3.538 -24.723 1.00 0.00 C ATOM 70 CE LYS A 6 14.967 3.493 -23.237 1.00 0.00 C ATOM 71 NZ LYS A 6 15.358 4.758 -22.572 1.00 0.00 N ATOM 0 H LYS A 6 16.685 -0.706 -28.134 1.00 0.00 H new ATOM 0 HA LYS A 6 16.278 -0.062 -25.367 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.132 2.132 -27.262 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.593 1.844 -26.475 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.210 1.620 -24.302 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.219 2.674 -25.272 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.849 4.466 -24.946 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.409 3.539 -25.319 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.896 3.328 -23.118 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.474 2.653 -22.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.110 4.711 -21.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.384 4.899 -22.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.855 5.553 -23.015 1.00 0.00 H new ATOM 85 N ALA A 7 14.350 -1.478 -25.663 1.00 0.00 N ATOM 86 CA ALA A 7 13.196 -2.353 -25.790 1.00 0.00 C ATOM 87 C ALA A 7 13.056 -3.192 -24.518 1.00 0.00 C ATOM 88 O ALA A 7 13.410 -4.371 -24.505 1.00 0.00 O ATOM 89 CB ALA A 7 13.345 -3.217 -27.044 1.00 0.00 C ATOM 0 H ALA A 7 14.827 -1.529 -24.763 1.00 0.00 H new ATOM 0 HA ALA A 7 12.283 -1.769 -25.903 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.480 -3.873 -27.139 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.412 -2.575 -27.922 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.250 -3.819 -26.965 1.00 0.00 H new ATOM 95 N VAL A 8 12.538 -2.553 -23.480 1.00 0.00 N ATOM 96 CA VAL A 8 12.348 -3.225 -22.206 1.00 0.00 C ATOM 97 C VAL A 8 11.911 -4.672 -22.458 1.00 0.00 C ATOM 98 O VAL A 8 12.651 -5.607 -22.158 1.00 0.00 O ATOM 99 CB VAL A 8 11.354 -2.444 -21.345 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.398 -1.625 -22.217 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.581 -3.379 -20.412 1.00 0.00 C ATOM 0 H VAL A 8 12.244 -1.576 -23.495 1.00 0.00 H new ATOM 0 HA VAL A 8 13.284 -3.259 -21.649 1.00 0.00 H new ATOM 0 HB VAL A 8 11.922 -1.749 -20.726 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.702 -1.079 -21.580 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.969 -0.918 -22.819 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.841 -2.294 -22.874 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.882 -2.797 -19.812 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.030 -4.110 -21.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.280 -3.897 -19.755 1.00 0.00 H new ATOM 111 N LYS A 9 10.713 -4.807 -23.007 1.00 0.00 N ATOM 112 CA LYS A 9 10.171 -6.122 -23.303 1.00 0.00 C ATOM 113 C LYS A 9 9.668 -6.763 -22.008 1.00 0.00 C ATOM 114 O LYS A 9 8.495 -7.124 -21.905 1.00 0.00 O ATOM 115 CB LYS A 9 11.202 -6.971 -24.049 1.00 0.00 C ATOM 116 CG LYS A 9 10.681 -7.377 -25.430 1.00 0.00 C ATOM 117 CD LYS A 9 9.556 -8.407 -25.309 1.00 0.00 C ATOM 118 CE LYS A 9 8.705 -8.440 -26.581 1.00 0.00 C ATOM 119 NZ LYS A 9 8.696 -9.800 -27.164 1.00 0.00 N ATOM 0 H LYS A 9 10.103 -4.028 -23.254 1.00 0.00 H new ATOM 0 HA LYS A 9 9.315 -6.040 -23.973 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.131 -6.411 -24.157 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.434 -7.863 -23.467 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.317 -6.496 -25.959 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.496 -7.791 -26.023 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.980 -9.394 -25.125 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.927 -8.165 -24.452 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.686 -8.130 -26.352 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.099 -7.729 -27.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.114 -9.804 -28.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.668 -10.082 -27.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.299 -10.470 -26.475 1.00 0.00 H new ATOM 133 N TYR A 10 10.577 -6.888 -21.053 1.00 0.00 N ATOM 134 CA TYR A 10 10.240 -7.480 -19.771 1.00 0.00 C ATOM 135 C TYR A 10 10.844 -6.674 -18.618 1.00 0.00 C ATOM 136 O TYR A 10 12.051 -6.440 -18.585 1.00 0.00 O ATOM 137 CB TYR A 10 10.857 -8.880 -19.776 1.00 0.00 C ATOM 138 CG TYR A 10 11.733 -9.168 -20.998 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.046 -8.743 -21.023 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.209 -9.854 -22.076 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.869 -9.014 -22.172 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.032 -10.126 -23.224 1.00 0.00 C ATOM 143 CZ TYR A 10 13.322 -9.693 -23.216 1.00 0.00 C ATOM 144 OH TYR A 10 14.099 -9.949 -24.302 1.00 0.00 O ATOM 0 H TYR A 10 11.548 -6.589 -21.142 1.00 0.00 H new ATOM 0 HA TYR A 10 9.159 -7.500 -19.631 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.456 -9.005 -18.874 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.057 -9.619 -19.733 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.456 -8.207 -20.180 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.182 -10.186 -22.057 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.897 -8.686 -22.205 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.635 -10.662 -24.073 1.00 0.00 H new ATOM 0 HH TYR A 10 13.577 -10.442 -24.969 1.00 0.00 H new ATOM 154 N TYR A 11 9.977 -6.270 -17.701 1.00 0.00 N ATOM 155 CA TYR A 11 10.410 -5.496 -16.551 1.00 0.00 C ATOM 156 C TYR A 11 9.841 -6.075 -15.254 1.00 0.00 C ATOM 157 O TYR A 11 8.954 -6.927 -15.287 1.00 0.00 O ATOM 158 CB TYR A 11 9.848 -4.087 -16.757 1.00 0.00 C ATOM 159 CG TYR A 11 10.912 -3.029 -17.051 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.192 -3.181 -16.555 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.596 -1.924 -17.815 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.195 -2.185 -16.835 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.597 -0.929 -18.093 1.00 0.00 C ATOM 164 CZ TYR A 11 12.847 -1.108 -17.588 1.00 0.00 C ATOM 165 OH TYR A 11 13.794 -0.169 -17.851 1.00 0.00 O ATOM 0 H TYR A 11 8.976 -6.465 -17.732 1.00 0.00 H new ATOM 0 HA TYR A 11 11.497 -5.505 -16.468 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.135 -4.109 -17.581 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.295 -3.793 -15.864 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.441 -4.046 -15.958 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.596 -1.806 -18.205 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.200 -2.292 -16.455 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.361 -0.060 -18.689 1.00 0.00 H new ATOM 0 HH TYR A 11 13.405 0.543 -18.400 1.00 0.00 H new ATOM 175 N THR A 12 10.375 -5.590 -14.143 1.00 0.00 N ATOM 176 CA THR A 12 9.930 -6.050 -12.838 1.00 0.00 C ATOM 177 C THR A 12 9.096 -4.968 -12.148 1.00 0.00 C ATOM 178 O THR A 12 9.370 -3.779 -12.295 1.00 0.00 O ATOM 179 CB THR A 12 11.167 -6.466 -12.039 1.00 0.00 C ATOM 180 OG1 THR A 12 11.830 -5.235 -11.759 1.00 0.00 O ATOM 181 CG2 THR A 12 12.174 -7.249 -12.882 1.00 0.00 C ATOM 0 H THR A 12 11.111 -4.884 -14.119 1.00 0.00 H new ATOM 0 HA THR A 12 9.274 -6.916 -12.925 1.00 0.00 H new ATOM 0 HB THR A 12 10.861 -7.072 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.643 -5.412 -11.242 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.032 -7.519 -12.266 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.702 -8.154 -13.264 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.507 -6.633 -13.717 1.00 0.00 H new ATOM 189 N LEU A 13 8.094 -5.421 -11.410 1.00 0.00 N ATOM 190 CA LEU A 13 7.218 -4.509 -10.697 1.00 0.00 C ATOM 191 C LEU A 13 8.057 -3.411 -10.039 1.00 0.00 C ATOM 192 O LEU A 13 7.628 -2.261 -9.959 1.00 0.00 O ATOM 193 CB LEU A 13 6.329 -5.275 -9.714 1.00 0.00 C ATOM 194 CG LEU A 13 4.946 -5.675 -10.231 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.203 -6.530 -9.203 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.138 -4.442 -10.642 1.00 0.00 C ATOM 0 H LEU A 13 7.869 -6.409 -11.291 1.00 0.00 H new ATOM 0 HA LEU A 13 6.536 -4.018 -11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.856 -6.179 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.198 -4.664 -8.821 1.00 0.00 H new ATOM 0 HG LEU A 13 5.078 -6.287 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.223 -6.801 -9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.776 -7.435 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.080 -5.964 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.159 -4.753 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.013 -3.785 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.666 -3.908 -11.432 1.00 0.00 H new ATOM 208 N GLU A 14 9.238 -3.806 -9.587 1.00 0.00 N ATOM 209 CA GLU A 14 10.142 -2.870 -8.939 1.00 0.00 C ATOM 210 C GLU A 14 10.604 -1.803 -9.934 1.00 0.00 C ATOM 211 O GLU A 14 10.491 -0.608 -9.665 1.00 0.00 O ATOM 212 CB GLU A 14 11.337 -3.599 -8.323 1.00 0.00 C ATOM 213 CG GLU A 14 11.372 -3.410 -6.805 1.00 0.00 C ATOM 214 CD GLU A 14 11.130 -4.735 -6.081 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.941 -5.091 -5.930 1.00 0.00 O ATOM 216 OE2 GLU A 14 12.141 -5.363 -5.694 1.00 0.00 O ATOM 0 H GLU A 14 9.590 -4.761 -9.656 1.00 0.00 H new ATOM 0 HA GLU A 14 9.604 -2.376 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.281 -4.662 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.262 -3.224 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.338 -3.001 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.614 -2.686 -6.508 1.00 0.00 H new ATOM 223 N GLU A 15 11.114 -2.274 -11.062 1.00 0.00 N ATOM 224 CA GLU A 15 11.593 -1.375 -12.099 1.00 0.00 C ATOM 225 C GLU A 15 10.505 -0.366 -12.472 1.00 0.00 C ATOM 226 O GLU A 15 10.804 0.779 -12.808 1.00 0.00 O ATOM 227 CB GLU A 15 12.061 -2.157 -13.328 1.00 0.00 C ATOM 228 CG GLU A 15 13.313 -2.978 -13.011 1.00 0.00 C ATOM 229 CD GLU A 15 14.506 -2.504 -13.846 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.601 -1.275 -14.053 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.294 -3.382 -14.257 1.00 0.00 O ATOM 0 H GLU A 15 11.206 -3.266 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 15 12.451 -0.826 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.264 -2.819 -13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.272 -1.466 -14.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.550 -2.892 -11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.121 -4.032 -13.210 1.00 0.00 H new ATOM 238 N ILE A 16 9.265 -0.828 -12.400 1.00 0.00 N ATOM 239 CA ILE A 16 8.131 0.020 -12.726 1.00 0.00 C ATOM 240 C ILE A 16 7.790 0.895 -11.518 1.00 0.00 C ATOM 241 O ILE A 16 7.494 2.079 -11.669 1.00 0.00 O ATOM 242 CB ILE A 16 6.957 -0.825 -13.224 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.432 -1.899 -14.205 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.863 0.058 -13.828 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.834 -3.263 -13.856 1.00 0.00 C ATOM 0 H ILE A 16 9.021 -1.778 -12.121 1.00 0.00 H new ATOM 0 HA ILE A 16 8.381 0.692 -13.547 1.00 0.00 H new ATOM 0 HB ILE A 16 6.520 -1.340 -12.368 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.147 -1.622 -15.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.520 -1.959 -14.185 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.040 -0.568 -14.174 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.497 0.753 -13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.271 0.619 -14.669 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.187 -4.008 -14.568 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.141 -3.548 -12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.746 -3.206 -13.901 1.00 0.00 H new ATOM 257 N GLN A 17 7.841 0.277 -10.346 1.00 0.00 N ATOM 258 CA GLN A 17 7.542 0.985 -9.113 1.00 0.00 C ATOM 259 C GLN A 17 8.427 2.227 -8.985 1.00 0.00 C ATOM 260 O GLN A 17 8.117 3.137 -8.218 1.00 0.00 O ATOM 261 CB GLN A 17 7.706 0.067 -7.901 1.00 0.00 C ATOM 262 CG GLN A 17 6.668 0.390 -6.823 1.00 0.00 C ATOM 263 CD GLN A 17 7.337 0.946 -5.566 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.446 0.580 -5.209 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.608 1.848 -4.918 1.00 0.00 N ATOM 0 H GLN A 17 8.085 -0.706 -10.225 1.00 0.00 H new ATOM 0 HA GLN A 17 6.501 1.307 -9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.602 -0.973 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.709 0.178 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.952 1.115 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.107 -0.510 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.687 2.109 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.969 2.279 -4.067 1.00 0.00 H new ATOM 274 N LYS A 18 9.510 2.223 -9.748 1.00 0.00 N ATOM 275 CA LYS A 18 10.442 3.337 -9.730 1.00 0.00 C ATOM 276 C LYS A 18 9.948 4.426 -10.684 1.00 0.00 C ATOM 277 O LYS A 18 9.965 5.609 -10.346 1.00 0.00 O ATOM 278 CB LYS A 18 11.861 2.854 -10.031 1.00 0.00 C ATOM 279 CG LYS A 18 12.210 3.059 -11.508 1.00 0.00 C ATOM 280 CD LYS A 18 13.527 2.366 -11.862 1.00 0.00 C ATOM 281 CE LYS A 18 14.534 3.364 -12.436 1.00 0.00 C ATOM 282 NZ LYS A 18 15.745 2.661 -12.917 1.00 0.00 N ATOM 0 H LYS A 18 9.763 1.466 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 18 10.486 3.780 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.573 3.395 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.951 1.798 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.408 2.665 -12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.287 4.125 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.944 1.894 -10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.342 1.573 -12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.078 3.918 -13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.808 4.092 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.418 3.353 -13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.188 2.152 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.481 1.983 -13.660 1.00 0.00 H new ATOM 296 N HIS A 19 9.518 3.989 -11.859 1.00 0.00 N ATOM 297 CA HIS A 19 9.020 4.910 -12.865 1.00 0.00 C ATOM 298 C HIS A 19 7.652 5.446 -12.438 1.00 0.00 C ATOM 299 O HIS A 19 6.619 4.897 -12.820 1.00 0.00 O ATOM 300 CB HIS A 19 8.993 4.249 -14.243 1.00 0.00 C ATOM 301 CG HIS A 19 10.280 4.395 -15.022 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.309 4.627 -16.386 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.579 4.343 -14.612 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.575 4.707 -16.769 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.360 4.530 -15.668 1.00 0.00 N ATOM 0 H HIS A 19 9.505 3.008 -12.136 1.00 0.00 H new ATOM 0 HA HIS A 19 9.696 5.761 -12.949 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.773 3.188 -14.121 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.178 4.679 -14.825 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.495 4.720 -16.993 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.915 4.178 -13.599 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.924 4.882 -17.776 1.00 0.00 H new ATOM 314 N ASN A 20 7.688 6.512 -11.651 1.00 0.00 N ATOM 315 CA ASN A 20 6.465 7.128 -11.167 1.00 0.00 C ATOM 316 C ASN A 20 6.528 8.636 -11.408 1.00 0.00 C ATOM 317 O ASN A 20 5.759 9.396 -10.822 1.00 0.00 O ATOM 318 CB ASN A 20 6.287 6.895 -9.665 1.00 0.00 C ATOM 319 CG ASN A 20 5.951 5.433 -9.372 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.931 5.108 -8.788 1.00 0.00 O ATOM 321 ND2 ASN A 20 6.866 4.570 -9.810 1.00 0.00 N ATOM 0 H ASN A 20 8.546 6.965 -11.337 1.00 0.00 H new ATOM 0 HA ASN A 20 5.628 6.680 -11.702 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.200 7.174 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.492 7.537 -9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.735 3.569 -9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.698 4.910 -10.292 1.00 0.00 H new ATOM 328 N ASN A 21 7.453 9.027 -12.273 1.00 0.00 N ATOM 329 CA ASN A 21 7.628 10.433 -12.599 1.00 0.00 C ATOM 330 C ASN A 21 6.969 10.724 -13.949 1.00 0.00 C ATOM 331 O ASN A 21 6.830 9.829 -14.781 1.00 0.00 O ATOM 332 CB ASN A 21 9.111 10.793 -12.708 1.00 0.00 C ATOM 333 CG ASN A 21 9.844 10.502 -11.397 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.663 9.604 -11.300 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.502 11.310 -10.397 1.00 0.00 N ATOM 0 H ASN A 21 8.089 8.395 -12.758 1.00 0.00 H new ATOM 0 HA ASN A 21 7.172 11.023 -11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.568 10.225 -13.518 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.215 11.848 -12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.934 11.197 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.808 12.042 -10.548 1.00 0.00 H new ATOM 342 N SER A 22 6.584 11.979 -14.126 1.00 0.00 N ATOM 343 CA SER A 22 5.944 12.400 -15.360 1.00 0.00 C ATOM 344 C SER A 22 6.879 12.150 -16.544 1.00 0.00 C ATOM 345 O SER A 22 6.450 12.187 -17.697 1.00 0.00 O ATOM 346 CB SER A 22 5.546 13.875 -15.299 1.00 0.00 C ATOM 347 OG SER A 22 6.673 14.725 -15.108 1.00 0.00 O ATOM 0 H SER A 22 6.703 12.719 -13.434 1.00 0.00 H new ATOM 0 HA SER A 22 5.035 11.813 -15.492 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.036 14.151 -16.222 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.836 14.026 -14.485 1.00 0.00 H new ATOM 0 HG SER A 22 6.377 15.659 -15.076 1.00 0.00 H new ATOM 353 N LYS A 23 8.139 11.902 -16.221 1.00 0.00 N ATOM 354 CA LYS A 23 9.138 11.647 -17.244 1.00 0.00 C ATOM 355 C LYS A 23 9.386 10.140 -17.345 1.00 0.00 C ATOM 356 O LYS A 23 9.976 9.667 -18.315 1.00 0.00 O ATOM 357 CB LYS A 23 10.405 12.461 -16.972 1.00 0.00 C ATOM 358 CG LYS A 23 10.565 13.586 -17.998 1.00 0.00 C ATOM 359 CD LYS A 23 11.825 14.407 -17.719 1.00 0.00 C ATOM 360 CE LYS A 23 12.591 14.691 -19.012 1.00 0.00 C ATOM 361 NZ LYS A 23 14.005 15.011 -18.717 1.00 0.00 N ATOM 0 H LYS A 23 8.491 11.872 -15.264 1.00 0.00 H new ATOM 0 HA LYS A 23 8.777 11.978 -18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.362 12.883 -15.968 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.276 11.807 -17.006 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.617 13.163 -19.001 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.690 14.235 -17.970 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.552 15.347 -17.240 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.467 13.869 -17.022 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.538 13.824 -19.671 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.127 15.523 -19.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.511 15.201 -19.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.051 15.851 -18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.449 14.206 -18.232 1.00 0.00 H new ATOM 375 N SER A 24 8.924 9.428 -16.328 1.00 0.00 N ATOM 376 CA SER A 24 9.089 7.984 -16.289 1.00 0.00 C ATOM 377 C SER A 24 7.856 7.335 -15.658 1.00 0.00 C ATOM 378 O SER A 24 7.950 6.717 -14.598 1.00 0.00 O ATOM 379 CB SER A 24 10.348 7.594 -15.516 1.00 0.00 C ATOM 380 OG SER A 24 11.407 7.196 -16.385 1.00 0.00 O ATOM 0 H SER A 24 8.436 9.823 -15.525 1.00 0.00 H new ATOM 0 HA SER A 24 9.199 7.624 -17.312 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.676 8.437 -14.908 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.115 6.778 -14.831 1.00 0.00 H new ATOM 0 HG SER A 24 12.226 7.063 -15.863 1.00 0.00 H new ATOM 386 N THR A 25 6.729 7.495 -16.335 1.00 0.00 N ATOM 387 CA THR A 25 5.479 6.933 -15.853 1.00 0.00 C ATOM 388 C THR A 25 5.243 5.552 -16.470 1.00 0.00 C ATOM 389 O THR A 25 4.622 5.437 -17.526 1.00 0.00 O ATOM 390 CB THR A 25 4.361 7.933 -16.157 1.00 0.00 C ATOM 391 OG1 THR A 25 4.982 9.204 -16.004 1.00 0.00 O ATOM 392 CG2 THR A 25 3.262 7.922 -15.093 1.00 0.00 C ATOM 0 H THR A 25 6.655 8.006 -17.214 1.00 0.00 H new ATOM 0 HA THR A 25 5.507 6.773 -14.775 1.00 0.00 H new ATOM 0 HB THR A 25 3.925 7.707 -17.130 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.544 9.199 -15.201 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.494 8.649 -15.356 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.818 6.928 -15.039 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.690 8.181 -14.125 1.00 0.00 H new ATOM 400 N TRP A 26 5.753 4.538 -15.785 1.00 0.00 N ATOM 401 CA TRP A 26 5.607 3.171 -16.253 1.00 0.00 C ATOM 402 C TRP A 26 4.618 2.458 -15.327 1.00 0.00 C ATOM 403 O TRP A 26 4.666 2.632 -14.109 1.00 0.00 O ATOM 404 CB TRP A 26 6.964 2.469 -16.330 1.00 0.00 C ATOM 405 CG TRP A 26 7.594 2.488 -17.724 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.971 1.442 -18.473 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.908 3.656 -18.511 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.502 1.849 -19.680 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.464 3.239 -19.703 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.730 5.021 -18.223 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.884 4.122 -20.704 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.155 5.892 -19.234 1.00 0.00 C ATOM 413 CH2 TRP A 26 8.716 5.487 -20.439 1.00 0.00 C ATOM 0 H TRP A 26 6.268 4.637 -14.910 1.00 0.00 H new ATOM 0 HA TRP A 26 5.211 3.152 -17.268 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.648 2.944 -15.626 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.845 1.434 -16.010 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.872 0.410 -18.170 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.857 1.242 -20.419 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.300 5.370 -17.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.314 3.770 -21.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.039 6.952 -19.065 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.021 6.222 -21.169 1.00 0.00 H new ATOM 424 N LEU A 27 3.744 1.671 -15.937 1.00 0.00 N ATOM 425 CA LEU A 27 2.747 0.931 -15.183 1.00 0.00 C ATOM 426 C LEU A 27 2.456 -0.392 -15.893 1.00 0.00 C ATOM 427 O LEU A 27 2.920 -0.617 -17.009 1.00 0.00 O ATOM 428 CB LEU A 27 1.503 1.793 -14.953 1.00 0.00 C ATOM 429 CG LEU A 27 0.437 1.738 -16.049 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.079 1.695 -17.437 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.521 0.568 -15.824 1.00 0.00 C ATOM 0 H LEU A 27 3.706 1.530 -16.946 1.00 0.00 H new ATOM 0 HA LEU A 27 3.124 0.684 -14.191 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.044 1.490 -14.012 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.820 2.829 -14.834 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.154 2.652 -15.996 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.299 1.656 -18.198 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.686 2.588 -17.585 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.710 0.810 -17.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.269 0.552 -16.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.038 -0.367 -15.834 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.017 0.684 -14.860 1.00 0.00 H new ATOM 443 N ILE A 28 1.688 -1.233 -15.215 1.00 0.00 N ATOM 444 CA ILE A 28 1.329 -2.528 -15.766 1.00 0.00 C ATOM 445 C ILE A 28 -0.173 -2.556 -16.057 1.00 0.00 C ATOM 446 O ILE A 28 -0.981 -2.196 -15.203 1.00 0.00 O ATOM 447 CB ILE A 28 1.797 -3.653 -14.840 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.805 -3.134 -13.813 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.353 -4.830 -15.645 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.120 -2.736 -14.486 1.00 0.00 C ATOM 0 H ILE A 28 1.305 -1.042 -14.289 1.00 0.00 H new ATOM 0 HA ILE A 28 1.841 -2.693 -16.714 1.00 0.00 H new ATOM 0 HB ILE A 28 0.933 -4.021 -14.286 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.386 -2.275 -13.289 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.994 -3.903 -13.064 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.679 -5.616 -14.963 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.577 -5.220 -16.303 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.200 -4.494 -16.243 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.818 -2.371 -13.733 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.549 -3.603 -14.988 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.931 -1.950 -15.217 1.00 0.00 H new ATOM 462 N LEU A 29 -0.502 -2.986 -17.266 1.00 0.00 N ATOM 463 CA LEU A 29 -1.892 -3.065 -17.680 1.00 0.00 C ATOM 464 C LEU A 29 -2.170 -4.456 -18.254 1.00 0.00 C ATOM 465 O LEU A 29 -1.514 -4.883 -19.202 1.00 0.00 O ATOM 466 CB LEU A 29 -2.230 -1.925 -18.642 1.00 0.00 C ATOM 467 CG LEU A 29 -3.558 -1.207 -18.392 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.050 -0.507 -19.660 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.603 -2.171 -17.828 1.00 0.00 C ATOM 0 H LEU A 29 0.171 -3.284 -17.973 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.553 -2.935 -16.823 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.428 -1.189 -18.597 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.241 -2.323 -19.657 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.393 -0.434 -17.641 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.995 -0.005 -19.455 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.311 0.227 -19.980 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.195 -1.244 -20.450 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.538 -1.636 -17.659 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.771 -2.981 -18.538 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.246 -2.584 -16.885 1.00 0.00 H new ATOM 481 N HIS A 30 -3.146 -5.124 -17.653 1.00 0.00 N ATOM 482 CA HIS A 30 -3.519 -6.457 -18.093 1.00 0.00 C ATOM 483 C HIS A 30 -2.453 -7.461 -17.649 1.00 0.00 C ATOM 484 O HIS A 30 -2.776 -8.570 -17.227 1.00 0.00 O ATOM 485 CB HIS A 30 -3.767 -6.484 -19.602 1.00 0.00 C ATOM 486 CG HIS A 30 -4.824 -5.512 -20.067 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.594 -4.151 -20.182 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.117 -5.716 -20.449 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.707 -3.574 -20.610 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.649 -4.545 -20.775 1.00 0.00 N ATOM 0 H HIS A 30 -3.688 -4.766 -16.866 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.460 -6.747 -17.625 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.832 -6.263 -20.118 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.061 -7.492 -19.894 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.717 -3.674 -19.973 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.623 -6.670 -20.481 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.844 -2.519 -20.796 1.00 0.00 H new ATOM 499 N TYR A 31 -1.202 -7.036 -17.759 1.00 0.00 N ATOM 500 CA TYR A 31 -0.087 -7.883 -17.376 1.00 0.00 C ATOM 501 C TYR A 31 1.212 -7.409 -18.030 1.00 0.00 C ATOM 502 O TYR A 31 2.297 -7.859 -17.662 1.00 0.00 O ATOM 503 CB TYR A 31 -0.423 -9.284 -17.895 1.00 0.00 C ATOM 504 CG TYR A 31 0.784 -10.052 -18.435 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.816 -10.403 -17.587 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.841 -10.396 -19.769 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.952 -11.127 -18.096 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.977 -11.121 -20.279 1.00 0.00 C ATOM 509 CZ TYR A 31 2.976 -11.450 -19.417 1.00 0.00 C ATOM 510 OH TYR A 31 4.048 -12.135 -19.898 1.00 0.00 O ATOM 0 H TYR A 31 -0.937 -6.115 -18.108 1.00 0.00 H new ATOM 0 HA TYR A 31 0.058 -7.860 -16.296 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.876 -9.860 -17.088 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.170 -9.199 -18.685 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.771 -10.134 -16.542 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.034 -10.122 -20.432 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.766 -11.407 -17.444 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.034 -11.397 -21.322 1.00 0.00 H new ATOM 0 HH TYR A 31 3.929 -12.298 -20.857 1.00 0.00 H new ATOM 520 N LYS A 32 1.061 -6.506 -18.987 1.00 0.00 N ATOM 521 CA LYS A 32 2.208 -5.965 -19.695 1.00 0.00 C ATOM 522 C LYS A 32 2.594 -4.618 -19.080 1.00 0.00 C ATOM 523 O LYS A 32 1.938 -4.145 -18.154 1.00 0.00 O ATOM 524 CB LYS A 32 1.928 -5.898 -21.198 1.00 0.00 C ATOM 525 CG LYS A 32 1.463 -7.255 -21.730 1.00 0.00 C ATOM 526 CD LYS A 32 -0.004 -7.201 -22.160 1.00 0.00 C ATOM 527 CE LYS A 32 -0.300 -8.248 -23.236 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.558 -7.924 -23.943 1.00 0.00 N ATOM 0 H LYS A 32 0.160 -6.135 -19.289 1.00 0.00 H new ATOM 0 HA LYS A 32 3.069 -6.624 -19.584 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.165 -5.145 -21.396 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.829 -5.586 -21.726 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.083 -7.550 -22.576 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.592 -8.015 -20.960 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.646 -7.371 -21.296 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.239 -6.207 -22.541 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.524 -8.289 -23.948 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.376 -9.235 -22.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.743 -8.645 -24.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.344 -7.908 -23.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.472 -6.991 -24.395 1.00 0.00 H new ATOM 542 N VAL A 33 3.654 -4.038 -19.622 1.00 0.00 N ATOM 543 CA VAL A 33 4.135 -2.755 -19.138 1.00 0.00 C ATOM 544 C VAL A 33 3.885 -1.687 -20.206 1.00 0.00 C ATOM 545 O VAL A 33 4.290 -1.847 -21.356 1.00 0.00 O ATOM 546 CB VAL A 33 5.606 -2.864 -18.736 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.132 -1.528 -18.210 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.811 -3.978 -17.706 1.00 0.00 C ATOM 0 H VAL A 33 4.194 -4.433 -20.392 1.00 0.00 H new ATOM 0 HA VAL A 33 3.590 -2.456 -18.243 1.00 0.00 H new ATOM 0 HB VAL A 33 6.179 -3.121 -19.627 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.180 -1.634 -17.931 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.038 -0.769 -18.986 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.553 -1.227 -17.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.866 -4.035 -17.437 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.220 -3.763 -16.816 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.493 -4.930 -18.132 1.00 0.00 H new ATOM 558 N TYR A 34 3.219 -0.621 -19.787 1.00 0.00 N ATOM 559 CA TYR A 34 2.910 0.472 -20.691 1.00 0.00 C ATOM 560 C TYR A 34 3.554 1.775 -20.216 1.00 0.00 C ATOM 561 O TYR A 34 3.704 1.997 -19.015 1.00 0.00 O ATOM 562 CB TYR A 34 1.388 0.629 -20.661 1.00 0.00 C ATOM 563 CG TYR A 34 0.623 -0.667 -20.939 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.815 -1.768 -20.131 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.258 -0.734 -21.999 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.095 -2.989 -20.393 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.978 -1.953 -22.261 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.766 -3.021 -21.445 1.00 0.00 C ATOM 569 OH TYR A 34 -1.445 -4.171 -21.693 1.00 0.00 O ATOM 0 H TYR A 34 2.885 -0.492 -18.832 1.00 0.00 H new ATOM 0 HA TYR A 34 3.288 0.260 -21.691 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.092 1.011 -19.684 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.096 1.377 -21.398 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.505 -1.715 -19.302 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.407 0.128 -22.632 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.236 -3.858 -19.768 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.671 -2.018 -23.087 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.834 -4.508 -20.859 1.00 0.00 H new ATOM 579 N ASP A 35 3.918 2.606 -21.183 1.00 0.00 N ATOM 580 CA ASP A 35 4.542 3.882 -20.879 1.00 0.00 C ATOM 581 C ASP A 35 3.458 4.950 -20.716 1.00 0.00 C ATOM 582 O ASP A 35 2.986 5.514 -21.701 1.00 0.00 O ATOM 583 CB ASP A 35 5.475 4.322 -22.008 1.00 0.00 C ATOM 584 CG ASP A 35 6.065 5.726 -21.851 1.00 0.00 C ATOM 585 OD1 ASP A 35 5.491 6.495 -21.051 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.075 5.995 -22.535 1.00 0.00 O ATOM 0 H ASP A 35 3.792 2.419 -22.178 1.00 0.00 H new ATOM 0 HA ASP A 35 5.118 3.765 -19.961 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.294 3.606 -22.082 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.927 4.278 -22.949 1.00 0.00 H new ATOM 591 N LEU A 36 3.097 5.194 -19.465 1.00 0.00 N ATOM 592 CA LEU A 36 2.077 6.184 -19.161 1.00 0.00 C ATOM 593 C LEU A 36 2.581 7.570 -19.569 1.00 0.00 C ATOM 594 O LEU A 36 1.796 8.425 -19.976 1.00 0.00 O ATOM 595 CB LEU A 36 1.661 6.090 -17.691 1.00 0.00 C ATOM 596 CG LEU A 36 0.708 4.946 -17.338 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.017 5.226 -16.020 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.268 4.671 -18.483 1.00 0.00 C ATOM 0 H LEU A 36 3.492 4.724 -18.650 1.00 0.00 H new ATOM 0 HA LEU A 36 1.173 5.990 -19.738 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.561 5.988 -17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.190 7.031 -17.406 1.00 0.00 H new ATOM 0 HG LEU A 36 1.298 4.041 -17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.688 4.398 -15.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.714 5.333 -15.218 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.594 6.147 -16.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.933 3.854 -18.205 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.857 5.566 -18.682 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.290 4.397 -19.378 1.00 0.00 H new ATOM 610 N THR A 37 3.888 7.749 -19.446 1.00 0.00 N ATOM 611 CA THR A 37 4.506 9.017 -19.798 1.00 0.00 C ATOM 612 C THR A 37 4.168 9.392 -21.242 1.00 0.00 C ATOM 613 O THR A 37 4.249 10.561 -21.619 1.00 0.00 O ATOM 614 CB THR A 37 6.009 8.899 -19.537 1.00 0.00 C ATOM 615 OG1 THR A 37 6.203 9.591 -18.307 1.00 0.00 O ATOM 616 CG2 THR A 37 6.842 9.692 -20.546 1.00 0.00 C ATOM 0 H THR A 37 4.536 7.038 -19.108 1.00 0.00 H new ATOM 0 HA THR A 37 4.118 9.830 -19.185 1.00 0.00 H new ATOM 0 HB THR A 37 6.302 7.850 -19.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.412 9.477 -17.739 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.901 9.574 -20.316 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.646 9.320 -21.552 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.574 10.747 -20.490 1.00 0.00 H new ATOM 624 N LYS A 38 3.794 8.381 -22.011 1.00 0.00 N ATOM 625 CA LYS A 38 3.443 8.590 -23.406 1.00 0.00 C ATOM 626 C LYS A 38 1.934 8.818 -23.518 1.00 0.00 C ATOM 627 O LYS A 38 1.461 9.395 -24.497 1.00 0.00 O ATOM 628 CB LYS A 38 3.957 7.436 -24.267 1.00 0.00 C ATOM 629 CG LYS A 38 4.634 7.957 -25.536 1.00 0.00 C ATOM 630 CD LYS A 38 5.326 6.822 -26.295 1.00 0.00 C ATOM 631 CE LYS A 38 6.225 7.373 -27.403 1.00 0.00 C ATOM 632 NZ LYS A 38 7.648 7.307 -26.997 1.00 0.00 N ATOM 0 H LYS A 38 3.726 7.414 -21.695 1.00 0.00 H new ATOM 0 HA LYS A 38 3.931 9.485 -23.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.664 6.837 -23.693 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.128 6.781 -24.536 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.893 8.430 -26.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.364 8.723 -25.274 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.920 6.226 -25.602 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.577 6.158 -26.726 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.075 6.802 -28.319 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.951 8.405 -27.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.245 7.685 -27.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.790 7.872 -26.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.910 6.318 -26.810 1.00 0.00 H new ATOM 646 N PHE A 39 1.221 8.353 -22.504 1.00 0.00 N ATOM 647 CA PHE A 39 -0.225 8.498 -22.477 1.00 0.00 C ATOM 648 C PHE A 39 -0.658 9.475 -21.382 1.00 0.00 C ATOM 649 O PHE A 39 -1.840 9.563 -21.055 1.00 0.00 O ATOM 650 CB PHE A 39 -0.807 7.117 -22.170 1.00 0.00 C ATOM 651 CG PHE A 39 -2.332 7.043 -22.292 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.969 7.740 -23.270 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.047 6.281 -21.423 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.383 7.672 -23.383 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.460 6.212 -21.536 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.099 6.909 -22.515 1.00 0.00 C ATOM 0 H PHE A 39 1.617 7.875 -21.694 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.578 8.885 -23.433 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.363 6.388 -22.848 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.519 6.829 -21.159 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.400 8.345 -23.961 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.540 5.728 -20.646 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.890 8.227 -24.159 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.028 5.607 -20.845 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.174 6.856 -22.602 1.00 0.00 H new ATOM 666 N LEU A 40 0.325 10.187 -20.848 1.00 0.00 N ATOM 667 CA LEU A 40 0.061 11.156 -19.796 1.00 0.00 C ATOM 668 C LEU A 40 -0.854 12.255 -20.340 1.00 0.00 C ATOM 669 O LEU A 40 -1.990 12.400 -19.893 1.00 0.00 O ATOM 670 CB LEU A 40 1.371 11.680 -19.209 1.00 0.00 C ATOM 671 CG LEU A 40 1.952 10.881 -18.041 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.223 11.538 -17.503 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.904 10.675 -16.943 1.00 0.00 C ATOM 0 H LEU A 40 1.304 10.112 -21.124 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.465 10.684 -18.966 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.115 11.714 -20.005 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.212 12.706 -18.878 1.00 0.00 H new ATOM 0 HG LEU A 40 2.233 9.894 -18.409 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.614 10.949 -16.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.970 11.589 -18.296 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.993 12.545 -17.156 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.342 10.104 -16.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.570 11.644 -16.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.053 10.130 -17.350 1.00 0.00 H new ATOM 685 N GLU A 41 -0.323 13.002 -21.298 1.00 0.00 N ATOM 686 CA GLU A 41 -1.076 14.084 -21.908 1.00 0.00 C ATOM 687 C GLU A 41 -2.522 13.650 -22.156 1.00 0.00 C ATOM 688 O GLU A 41 -3.456 14.267 -21.643 1.00 0.00 O ATOM 689 CB GLU A 41 -0.415 14.549 -23.206 1.00 0.00 C ATOM 690 CG GLU A 41 0.352 15.856 -22.992 1.00 0.00 C ATOM 691 CD GLU A 41 1.405 16.060 -24.083 1.00 0.00 C ATOM 692 OE1 GLU A 41 2.379 15.277 -24.085 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.211 16.993 -24.892 1.00 0.00 O ATOM 0 H GLU A 41 0.620 12.878 -21.666 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.083 14.929 -21.219 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.266 13.779 -23.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.174 14.690 -23.975 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.344 16.695 -22.993 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.834 15.843 -22.014 1.00 0.00 H new ATOM 700 N GLU A 42 -2.664 12.592 -22.940 1.00 0.00 N ATOM 701 CA GLU A 42 -3.981 12.068 -23.262 1.00 0.00 C ATOM 702 C GLU A 42 -4.750 11.744 -21.979 1.00 0.00 C ATOM 703 O GLU A 42 -4.340 12.138 -20.889 1.00 0.00 O ATOM 704 CB GLU A 42 -3.876 10.838 -24.164 1.00 0.00 C ATOM 705 CG GLU A 42 -4.848 10.936 -25.341 1.00 0.00 C ATOM 706 CD GLU A 42 -4.220 10.381 -26.619 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.043 10.722 -26.868 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.929 9.628 -27.321 1.00 0.00 O ATOM 0 H GLU A 42 -1.888 12.082 -23.362 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.532 12.833 -23.810 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.856 10.742 -24.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.089 9.939 -23.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.760 10.385 -25.111 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.135 11.976 -25.495 1.00 0.00 H new ATOM 715 N HIS A 43 -5.851 11.028 -22.152 1.00 0.00 N ATOM 716 CA HIS A 43 -6.683 10.648 -21.023 1.00 0.00 C ATOM 717 C HIS A 43 -7.609 11.807 -20.652 1.00 0.00 C ATOM 718 O HIS A 43 -7.202 12.967 -20.693 1.00 0.00 O ATOM 719 CB HIS A 43 -5.821 10.178 -19.850 1.00 0.00 C ATOM 720 CG HIS A 43 -6.479 9.128 -18.987 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.261 9.441 -17.890 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.463 7.766 -19.071 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.692 8.312 -17.346 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.195 7.275 -18.080 1.00 0.00 N ATOM 0 H HIS A 43 -6.187 10.701 -23.058 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.313 9.802 -21.299 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.884 9.780 -20.238 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.569 11.038 -19.230 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.471 10.382 -17.556 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.942 7.186 -19.818 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.325 8.228 -16.475 1.00 0.00 H new ATOM 733 N PRO A 44 -8.868 11.444 -20.291 1.00 0.00 N ATOM 734 CA PRO A 44 -9.855 12.440 -19.914 1.00 0.00 C ATOM 735 C PRO A 44 -9.574 12.988 -18.513 1.00 0.00 C ATOM 736 O PRO A 44 -9.612 14.198 -18.296 1.00 0.00 O ATOM 737 CB PRO A 44 -11.194 11.728 -20.015 1.00 0.00 C ATOM 738 CG PRO A 44 -10.876 10.242 -19.993 1.00 0.00 C ATOM 739 CD PRO A 44 -9.385 10.079 -20.233 1.00 0.00 C ATOM 0 HA PRO A 44 -9.836 13.316 -20.562 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.845 12.001 -19.185 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.715 12.003 -20.932 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.158 9.806 -19.035 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.445 9.719 -20.761 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.914 9.511 -19.431 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.190 9.542 -21.161 1.00 0.00 H new ATOM 747 N GLY A 45 -9.299 12.069 -17.599 1.00 0.00 N ATOM 748 CA GLY A 45 -9.011 12.445 -16.224 1.00 0.00 C ATOM 749 C GLY A 45 -7.800 13.377 -16.152 1.00 0.00 C ATOM 750 O GLY A 45 -7.795 14.335 -15.381 1.00 0.00 O ATOM 0 H GLY A 45 -9.269 11.066 -17.783 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.880 12.938 -15.789 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.822 11.550 -15.631 1.00 0.00 H new ATOM 754 N GLY A 46 -6.802 13.062 -16.966 1.00 0.00 N ATOM 755 CA GLY A 46 -5.589 13.859 -17.004 1.00 0.00 C ATOM 756 C GLY A 46 -4.347 12.966 -17.048 1.00 0.00 C ATOM 757 O GLY A 46 -4.423 11.813 -17.469 1.00 0.00 O ATOM 0 H GLY A 46 -6.810 12.266 -17.604 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.604 14.510 -17.878 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.546 14.505 -16.127 1.00 0.00 H new ATOM 761 N GLU A 47 -3.234 13.533 -16.606 1.00 0.00 N ATOM 762 CA GLU A 47 -1.977 12.802 -16.590 1.00 0.00 C ATOM 763 C GLU A 47 -1.835 12.021 -15.283 1.00 0.00 C ATOM 764 O GLU A 47 -1.487 10.841 -15.295 1.00 0.00 O ATOM 765 CB GLU A 47 -0.792 13.747 -16.797 1.00 0.00 C ATOM 766 CG GLU A 47 -0.904 14.484 -18.133 1.00 0.00 C ATOM 767 CD GLU A 47 -0.852 16.000 -17.929 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.920 16.566 -17.610 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.253 16.557 -18.096 1.00 0.00 O ATOM 0 H GLU A 47 -3.176 14.489 -16.256 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.981 12.091 -17.416 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.752 14.469 -15.982 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.139 13.181 -16.767 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.093 14.174 -18.792 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.837 14.212 -18.626 1.00 0.00 H new ATOM 776 N GLU A 48 -2.112 12.710 -14.185 1.00 0.00 N ATOM 777 CA GLU A 48 -2.018 12.095 -12.872 1.00 0.00 C ATOM 778 C GLU A 48 -2.774 10.765 -12.855 1.00 0.00 C ATOM 779 O GLU A 48 -2.246 9.753 -12.396 1.00 0.00 O ATOM 780 CB GLU A 48 -2.543 13.038 -11.787 1.00 0.00 C ATOM 781 CG GLU A 48 -1.465 13.322 -10.740 1.00 0.00 C ATOM 782 CD GLU A 48 -1.857 14.508 -9.856 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.316 15.519 -10.433 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.689 14.378 -8.624 1.00 0.00 O ATOM 0 H GLU A 48 -2.401 13.688 -14.178 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.968 11.897 -12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.870 13.974 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.415 12.595 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.312 12.438 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.517 13.531 -11.236 1.00 0.00 H new ATOM 791 N VAL A 49 -3.999 10.810 -13.358 1.00 0.00 N ATOM 792 CA VAL A 49 -4.831 9.620 -13.405 1.00 0.00 C ATOM 793 C VAL A 49 -3.971 8.414 -13.789 1.00 0.00 C ATOM 794 O VAL A 49 -4.260 7.288 -13.389 1.00 0.00 O ATOM 795 CB VAL A 49 -6.007 9.842 -14.359 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.515 10.091 -15.787 1.00 0.00 C ATOM 797 CG2 VAL A 49 -6.982 8.664 -14.312 1.00 0.00 C ATOM 0 H VAL A 49 -4.435 11.651 -13.736 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.258 9.415 -12.423 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.542 10.732 -14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.370 10.246 -16.445 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.880 10.976 -15.804 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.944 9.228 -16.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.808 8.848 -14.999 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.464 7.751 -14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.370 8.553 -13.300 1.00 0.00 H new ATOM 807 N LEU A 50 -2.930 8.691 -14.560 1.00 0.00 N ATOM 808 CA LEU A 50 -2.026 7.644 -15.002 1.00 0.00 C ATOM 809 C LEU A 50 -0.800 7.613 -14.084 1.00 0.00 C ATOM 810 O LEU A 50 -0.257 6.547 -13.806 1.00 0.00 O ATOM 811 CB LEU A 50 -1.680 7.823 -16.481 1.00 0.00 C ATOM 812 CG LEU A 50 -2.864 7.806 -17.453 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.061 9.177 -18.099 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.700 6.699 -18.496 1.00 0.00 C ATOM 0 H LEU A 50 -2.693 9.626 -14.890 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.508 6.669 -14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.152 8.769 -16.599 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.987 7.033 -16.770 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.769 7.584 -16.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.908 9.138 -18.785 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.255 9.919 -17.325 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.161 9.453 -18.649 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.554 6.708 -19.174 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.784 6.866 -19.063 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.645 5.732 -17.995 1.00 0.00 H new ATOM 826 N ARG A 51 -0.405 8.797 -13.641 1.00 0.00 N ATOM 827 CA ARG A 51 0.745 8.919 -12.760 1.00 0.00 C ATOM 828 C ARG A 51 0.436 8.304 -11.394 1.00 0.00 C ATOM 829 O ARG A 51 1.297 7.668 -10.788 1.00 0.00 O ATOM 830 CB ARG A 51 1.143 10.385 -12.574 1.00 0.00 C ATOM 831 CG ARG A 51 2.651 10.520 -12.353 1.00 0.00 C ATOM 832 CD ARG A 51 2.953 11.083 -10.962 1.00 0.00 C ATOM 833 NE ARG A 51 4.064 12.057 -11.041 1.00 0.00 N ATOM 834 CZ ARG A 51 4.741 12.513 -9.978 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.424 12.084 -8.749 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.735 13.396 -10.144 1.00 0.00 N ATOM 0 H ARG A 51 -0.860 9.680 -13.875 1.00 0.00 H new ATOM 0 HA ARG A 51 1.575 8.385 -13.223 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.848 10.960 -13.452 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.608 10.806 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.127 9.546 -12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.077 11.174 -13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.064 11.565 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.216 10.273 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 51 4.331 12.403 -11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.668 11.411 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.939 12.430 -7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.977 13.722 -11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.250 13.743 -9.334 1.00 0.00 H new ATOM 850 N GLU A 52 -0.794 8.515 -10.951 1.00 0.00 N ATOM 851 CA GLU A 52 -1.228 7.989 -9.668 1.00 0.00 C ATOM 852 C GLU A 52 -1.232 6.460 -9.696 1.00 0.00 C ATOM 853 O GLU A 52 -1.303 5.815 -8.649 1.00 0.00 O ATOM 854 CB GLU A 52 -2.605 8.534 -9.289 1.00 0.00 C ATOM 855 CG GLU A 52 -3.675 8.052 -10.271 1.00 0.00 C ATOM 856 CD GLU A 52 -5.051 8.002 -9.602 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.091 7.613 -8.415 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.031 8.353 -10.294 1.00 0.00 O ATOM 0 H GLU A 52 -1.504 9.043 -11.458 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.522 8.317 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.862 8.213 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.579 9.624 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.710 8.719 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.412 7.062 -10.644 1.00 0.00 H new ATOM 865 N GLN A 53 -1.156 5.921 -10.904 1.00 0.00 N ATOM 866 CA GLN A 53 -1.150 4.479 -11.082 1.00 0.00 C ATOM 867 C GLN A 53 0.250 3.997 -11.469 1.00 0.00 C ATOM 868 O GLN A 53 0.571 2.820 -11.310 1.00 0.00 O ATOM 869 CB GLN A 53 -2.186 4.051 -12.123 1.00 0.00 C ATOM 870 CG GLN A 53 -1.973 4.792 -13.444 1.00 0.00 C ATOM 871 CD GLN A 53 -3.041 4.404 -14.469 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.931 3.414 -15.175 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.077 5.235 -14.512 1.00 0.00 N ATOM 0 H GLN A 53 -1.098 6.458 -11.770 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.423 4.014 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.117 2.976 -12.290 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.189 4.252 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.004 5.868 -13.271 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.984 4.561 -13.839 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.107 6.045 -13.893 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.843 5.062 -15.164 1.00 0.00 H new ATOM 882 N ALA A 54 1.045 4.931 -11.970 1.00 0.00 N ATOM 883 CA ALA A 54 2.401 4.617 -12.381 1.00 0.00 C ATOM 884 C ALA A 54 3.192 4.112 -11.172 1.00 0.00 C ATOM 885 O ALA A 54 3.075 4.660 -10.077 1.00 0.00 O ATOM 886 CB ALA A 54 3.040 5.851 -13.021 1.00 0.00 C ATOM 0 H ALA A 54 0.775 5.906 -12.100 1.00 0.00 H new ATOM 0 HA ALA A 54 2.401 3.825 -13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.058 5.615 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.458 6.152 -13.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.060 6.667 -12.298 1.00 0.00 H new ATOM 892 N GLY A 55 3.980 3.074 -11.411 1.00 0.00 N ATOM 893 CA GLY A 55 4.789 2.489 -10.356 1.00 0.00 C ATOM 894 C GLY A 55 4.169 1.184 -9.848 1.00 0.00 C ATOM 895 O GLY A 55 4.411 0.779 -8.713 1.00 0.00 O ATOM 0 H GLY A 55 4.075 2.623 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.795 2.297 -10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.884 3.196 -9.532 1.00 0.00 H new ATOM 899 N GLY A 56 3.383 0.564 -10.715 1.00 0.00 N ATOM 900 CA GLY A 56 2.728 -0.686 -10.370 1.00 0.00 C ATOM 901 C GLY A 56 1.683 -1.066 -11.421 1.00 0.00 C ATOM 902 O GLY A 56 1.388 -0.282 -12.321 1.00 0.00 O ATOM 0 H GLY A 56 3.185 0.904 -11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.471 -1.479 -10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.251 -0.593 -9.394 1.00 0.00 H new ATOM 906 N ASP A 57 1.150 -2.270 -11.271 1.00 0.00 N ATOM 907 CA ASP A 57 0.144 -2.764 -12.196 1.00 0.00 C ATOM 908 C ASP A 57 -1.178 -2.039 -11.941 1.00 0.00 C ATOM 909 O ASP A 57 -1.755 -2.153 -10.860 1.00 0.00 O ATOM 910 CB ASP A 57 -0.093 -4.263 -12.001 1.00 0.00 C ATOM 911 CG ASP A 57 -1.502 -4.744 -12.353 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.445 -4.288 -11.672 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.604 -5.560 -13.295 1.00 0.00 O ATOM 0 H ASP A 57 1.396 -2.918 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 57 0.500 -2.584 -13.210 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.625 -4.812 -12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.112 -4.516 -10.961 1.00 0.00 H new ATOM 918 N ALA A 58 -1.621 -1.307 -12.953 1.00 0.00 N ATOM 919 CA ALA A 58 -2.864 -0.563 -12.852 1.00 0.00 C ATOM 920 C ALA A 58 -4.030 -1.470 -13.246 1.00 0.00 C ATOM 921 O ALA A 58 -5.192 -1.111 -13.063 1.00 0.00 O ATOM 922 CB ALA A 58 -2.779 0.693 -13.721 1.00 0.00 C ATOM 0 H ALA A 58 -1.140 -1.214 -13.848 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.035 -0.237 -11.826 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.712 1.252 -13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.954 1.317 -13.379 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.611 0.406 -14.759 1.00 0.00 H new ATOM 928 N THR A 59 -3.680 -2.630 -13.784 1.00 0.00 N ATOM 929 CA THR A 59 -4.683 -3.592 -14.208 1.00 0.00 C ATOM 930 C THR A 59 -5.853 -3.611 -13.223 1.00 0.00 C ATOM 931 O THR A 59 -6.917 -3.060 -13.506 1.00 0.00 O ATOM 932 CB THR A 59 -3.999 -4.951 -14.365 1.00 0.00 C ATOM 933 OG1 THR A 59 -2.846 -4.670 -15.153 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.812 -5.920 -15.225 1.00 0.00 C ATOM 0 H THR A 59 -2.715 -2.925 -13.936 1.00 0.00 H new ATOM 0 HA THR A 59 -5.113 -3.316 -15.171 1.00 0.00 H new ATOM 0 HB THR A 59 -3.834 -5.390 -13.381 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.075 -5.152 -14.788 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.282 -6.869 -15.304 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.786 -6.086 -14.764 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.949 -5.497 -16.220 1.00 0.00 H new ATOM 942 N GLU A 60 -5.618 -4.249 -12.086 1.00 0.00 N ATOM 943 CA GLU A 60 -6.639 -4.346 -11.057 1.00 0.00 C ATOM 944 C GLU A 60 -7.494 -3.078 -11.036 1.00 0.00 C ATOM 945 O GLU A 60 -8.687 -3.134 -10.739 1.00 0.00 O ATOM 946 CB GLU A 60 -6.013 -4.609 -9.686 1.00 0.00 C ATOM 947 CG GLU A 60 -4.806 -3.699 -9.452 1.00 0.00 C ATOM 948 CD GLU A 60 -5.063 -2.734 -8.292 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.620 -1.649 -8.570 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.697 -3.103 -7.156 1.00 0.00 O ATOM 0 H GLU A 60 -4.735 -4.704 -11.855 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.285 -5.192 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.755 -4.443 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.705 -5.652 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.926 -4.305 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.591 -3.134 -10.359 1.00 0.00 H new ATOM 957 N ASN A 61 -6.851 -1.964 -11.353 1.00 0.00 N ATOM 958 CA ASN A 61 -7.538 -0.684 -11.374 1.00 0.00 C ATOM 959 C ASN A 61 -8.360 -0.572 -12.660 1.00 0.00 C ATOM 960 O ASN A 61 -9.575 -0.384 -12.609 1.00 0.00 O ATOM 961 CB ASN A 61 -6.541 0.477 -11.349 1.00 0.00 C ATOM 962 CG ASN A 61 -7.114 1.676 -10.592 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.555 2.153 -9.618 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.258 2.135 -11.092 1.00 0.00 N ATOM 0 H ASN A 61 -5.862 -1.921 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.177 -0.630 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.613 0.154 -10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.294 0.771 -12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.721 2.933 -10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.672 1.689 -11.910 1.00 0.00 H new ATOM 971 N PHE A 62 -7.666 -0.692 -13.781 1.00 0.00 N ATOM 972 CA PHE A 62 -8.317 -0.607 -15.077 1.00 0.00 C ATOM 973 C PHE A 62 -9.444 -1.635 -15.193 1.00 0.00 C ATOM 974 O PHE A 62 -10.281 -1.546 -16.091 1.00 0.00 O ATOM 975 CB PHE A 62 -7.253 -0.913 -16.132 1.00 0.00 C ATOM 976 CG PHE A 62 -7.592 -2.107 -17.028 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.374 -3.374 -16.584 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.109 -1.901 -18.270 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.688 -4.482 -17.415 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.423 -3.009 -19.101 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.205 -4.276 -18.656 1.00 0.00 C ATOM 0 H PHE A 62 -6.659 -0.848 -13.819 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.751 0.384 -15.212 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.111 -0.031 -16.757 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.304 -1.105 -15.631 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.962 -3.537 -15.599 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.280 -0.895 -18.624 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.516 -5.488 -17.062 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.835 -2.846 -20.086 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.443 -5.119 -19.288 1.00 0.00 H new ATOM 991 N GLU A 63 -9.432 -2.586 -14.271 1.00 0.00 N ATOM 992 CA GLU A 63 -10.442 -3.630 -14.259 1.00 0.00 C ATOM 993 C GLU A 63 -11.716 -3.127 -13.576 1.00 0.00 C ATOM 994 O GLU A 63 -12.818 -3.548 -13.923 1.00 0.00 O ATOM 995 CB GLU A 63 -9.917 -4.894 -13.576 1.00 0.00 C ATOM 996 CG GLU A 63 -9.431 -5.913 -14.608 1.00 0.00 C ATOM 997 CD GLU A 63 -10.552 -6.882 -14.991 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.354 -7.207 -14.089 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.581 -7.277 -16.177 1.00 0.00 O ATOM 0 H GLU A 63 -8.738 -2.655 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.682 -3.888 -15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.100 -4.635 -12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.705 -5.336 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.075 -5.394 -15.498 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.586 -6.470 -14.204 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.521 -2.233 -12.618 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.640 -1.667 -11.882 1.00 0.00 C ATOM 1008 C ASP A 64 -13.287 -0.561 -12.718 1.00 0.00 C ATOM 1009 O ASP A 64 -14.495 -0.582 -12.954 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.178 -1.054 -10.561 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.039 -1.406 -9.346 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.516 -2.560 -9.305 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.202 -0.511 -8.488 1.00 0.00 O ATOM 0 H ASP A 64 -10.605 -1.886 -12.334 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.349 -2.469 -11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.155 -1.376 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.156 0.030 -10.669 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.455 0.378 -13.143 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.930 1.491 -13.948 1.00 0.00 C ATOM 1020 C VAL A 65 -13.563 0.953 -15.233 1.00 0.00 C ATOM 1021 O VAL A 65 -14.259 1.680 -15.939 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.786 2.472 -14.211 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.440 1.747 -14.253 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.026 3.260 -15.500 1.00 0.00 C ATOM 0 H VAL A 65 -11.454 0.391 -12.945 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.701 2.046 -13.414 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.757 3.182 -13.385 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.644 2.468 -14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.263 1.253 -13.298 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.452 1.003 -15.050 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.198 3.950 -15.664 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.095 2.570 -16.341 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.956 3.822 -15.415 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.298 -0.319 -15.497 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.833 -0.963 -16.684 1.00 0.00 C ATOM 1036 C GLY A 66 -13.607 -0.099 -17.927 1.00 0.00 C ATOM 1037 O GLY A 66 -14.562 0.359 -18.551 1.00 0.00 O ATOM 0 H GLY A 66 -12.720 -0.920 -14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.357 -1.934 -16.821 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.900 -1.146 -16.553 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.337 0.099 -18.248 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.972 0.899 -19.404 1.00 0.00 C ATOM 1043 C HIS A 67 -12.693 0.367 -20.644 1.00 0.00 C ATOM 1044 O HIS A 67 -13.476 -0.576 -20.554 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.453 0.947 -19.576 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.749 1.833 -18.575 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.028 1.333 -17.507 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.664 3.193 -18.494 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.536 2.353 -16.819 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.932 3.504 -17.433 1.00 0.00 N ATOM 0 H HIS A 67 -11.547 -0.281 -17.727 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.294 1.929 -19.253 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.056 -0.065 -19.493 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.222 1.298 -20.582 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -8.897 0.346 -17.286 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.116 3.896 -19.178 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.928 2.285 -15.929 1.00 0.00 H new ATOM 1059 N SER A 68 -12.400 0.996 -21.774 1.00 0.00 N ATOM 1060 CA SER A 68 -13.011 0.597 -23.031 1.00 0.00 C ATOM 1061 C SER A 68 -11.994 -0.160 -23.889 1.00 0.00 C ATOM 1062 O SER A 68 -10.790 0.059 -23.769 1.00 0.00 O ATOM 1063 CB SER A 68 -13.548 1.811 -23.792 1.00 0.00 C ATOM 1064 OG SER A 68 -12.546 2.420 -24.602 1.00 0.00 O ATOM 0 H SER A 68 -11.749 1.778 -21.845 1.00 0.00 H new ATOM 0 HA SER A 68 -13.852 -0.060 -22.810 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.385 1.504 -24.420 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.934 2.542 -23.082 1.00 0.00 H new ATOM 0 HG SER A 68 -12.297 3.287 -24.218 1.00 0.00 H new ATOM 1070 N THR A 69 -12.518 -1.034 -24.735 1.00 0.00 N ATOM 1071 CA THR A 69 -11.671 -1.825 -25.614 1.00 0.00 C ATOM 1072 C THR A 69 -10.705 -0.920 -26.378 1.00 0.00 C ATOM 1073 O THR A 69 -9.622 -1.353 -26.769 1.00 0.00 O ATOM 1074 CB THR A 69 -12.579 -2.654 -26.523 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.990 -3.746 -25.705 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.811 -3.317 -27.670 1.00 0.00 C ATOM 0 H THR A 69 -13.518 -1.213 -24.831 1.00 0.00 H new ATOM 0 HA THR A 69 -11.042 -2.512 -25.047 1.00 0.00 H new ATOM 0 HB THR A 69 -13.363 -2.016 -26.931 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.584 -4.333 -26.217 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.502 -3.893 -28.285 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.335 -2.550 -28.281 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.049 -3.981 -27.262 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.131 0.320 -26.570 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.317 1.291 -27.282 1.00 0.00 C ATOM 1086 C ASP A 70 -9.140 1.708 -26.398 1.00 0.00 C ATOM 1087 O ASP A 70 -7.993 1.712 -26.844 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.123 2.545 -27.620 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.393 3.568 -28.493 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.693 4.419 -27.902 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.551 3.477 -29.728 1.00 0.00 O ATOM 0 H ASP A 70 -12.030 0.675 -26.245 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.970 0.828 -28.206 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.039 2.244 -28.129 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.420 3.030 -26.690 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.463 2.052 -25.160 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.447 2.470 -24.209 1.00 0.00 C ATOM 1098 C ALA A 71 -7.362 1.396 -24.122 1.00 0.00 C ATOM 1099 O ALA A 71 -6.172 1.705 -24.163 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.100 2.751 -22.854 1.00 0.00 C ATOM 0 H ALA A 71 -10.415 2.050 -24.793 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.970 3.393 -24.539 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.338 3.065 -22.141 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.841 3.543 -22.964 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.587 1.846 -22.490 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.811 0.155 -24.005 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.892 -0.968 -23.912 1.00 0.00 C ATOM 1108 C ARG A 72 -6.019 -1.044 -25.166 1.00 0.00 C ATOM 1109 O ARG A 72 -4.810 -1.249 -25.073 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.651 -2.287 -23.746 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.700 -2.180 -22.637 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.444 -3.504 -22.458 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.556 -3.334 -21.497 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.213 -4.349 -20.921 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.875 -5.615 -21.204 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.211 -4.100 -20.060 1.00 0.00 N ATOM 0 H ARG A 72 -8.799 -0.098 -23.972 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.262 -0.811 -23.036 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.136 -2.553 -24.686 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.949 -3.088 -23.512 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.217 -1.900 -21.701 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.410 -1.389 -22.878 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.831 -3.846 -23.418 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.757 -4.271 -22.100 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.840 -2.384 -21.258 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.117 -5.806 -21.859 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.376 -6.387 -20.765 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.470 -3.137 -19.844 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.711 -4.873 -19.622 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.666 -0.876 -26.309 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.963 -0.923 -27.580 1.00 0.00 C ATOM 1132 C GLU A 73 -4.901 0.177 -27.640 1.00 0.00 C ATOM 1133 O GLU A 73 -3.756 -0.081 -28.012 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.941 -0.805 -28.752 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.755 -1.959 -29.739 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.991 -2.130 -30.623 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.532 -1.087 -31.051 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.369 -3.300 -30.851 1.00 0.00 O ATOM 0 H GLU A 73 -7.669 -0.707 -26.382 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.464 -1.888 -27.661 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.965 -0.803 -28.377 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.788 0.145 -29.264 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.881 -1.771 -30.363 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.564 -2.882 -29.192 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.317 1.379 -27.270 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.415 2.518 -27.279 1.00 0.00 C ATOM 1147 C LEU A 74 -3.193 2.200 -26.413 1.00 0.00 C ATOM 1148 O LEU A 74 -2.068 2.549 -26.771 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.153 3.789 -26.856 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.716 4.409 -25.527 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.598 5.432 -25.743 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.908 5.013 -24.784 1.00 0.00 C ATOM 0 H LEU A 74 -6.266 1.589 -26.962 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.052 2.709 -28.289 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.029 4.535 -27.640 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.218 3.564 -26.796 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.313 3.617 -24.896 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.305 5.859 -24.784 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.739 4.941 -26.200 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.953 6.226 -26.400 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.569 5.446 -23.843 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.364 5.790 -25.398 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.643 4.234 -24.580 1.00 0.00 H new ATOM 1164 N SER A 75 -3.455 1.544 -25.293 1.00 0.00 N ATOM 1165 CA SER A 75 -2.391 1.177 -24.374 1.00 0.00 C ATOM 1166 C SER A 75 -1.439 0.183 -25.047 1.00 0.00 C ATOM 1167 O SER A 75 -0.238 0.196 -24.786 1.00 0.00 O ATOM 1168 CB SER A 75 -2.956 0.579 -23.085 1.00 0.00 C ATOM 1169 OG SER A 75 -4.340 0.880 -22.921 1.00 0.00 O ATOM 0 H SER A 75 -4.389 1.257 -25.001 1.00 0.00 H new ATOM 0 HA SER A 75 -1.840 2.080 -24.112 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.818 -0.502 -23.096 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.397 0.963 -22.231 1.00 0.00 H new ATOM 0 HG SER A 75 -4.556 1.702 -23.409 1.00 0.00 H new ATOM 1175 N LYS A 76 -2.014 -0.653 -25.899 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.233 -1.650 -26.609 1.00 0.00 C ATOM 1177 C LYS A 76 -0.223 -0.949 -27.519 1.00 0.00 C ATOM 1178 O LYS A 76 0.748 -1.559 -27.962 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.153 -2.625 -27.349 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.822 -4.074 -26.988 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.990 -4.740 -26.261 1.00 0.00 C ATOM 1182 CE LYS A 76 -3.266 -6.134 -26.828 1.00 0.00 C ATOM 1183 NZ LYS A 76 -4.514 -6.688 -26.255 1.00 0.00 N ATOM 0 H LYS A 76 -3.011 -0.660 -26.113 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.662 -2.256 -25.906 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.192 -2.412 -27.097 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.050 -2.482 -28.425 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.587 -4.633 -27.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.934 -4.101 -26.357 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.766 -4.814 -25.197 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.882 -4.122 -26.356 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.349 -6.082 -27.914 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.430 -6.797 -26.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.687 -7.634 -26.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.421 -6.756 -25.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.311 -6.063 -26.491 1.00 0.00 H new ATOM 1197 N THR A 77 -0.488 0.324 -27.772 1.00 0.00 N ATOM 1198 CA THR A 77 0.386 1.117 -28.620 1.00 0.00 C ATOM 1199 C THR A 77 1.490 1.772 -27.787 1.00 0.00 C ATOM 1200 O THR A 77 2.527 2.163 -28.321 1.00 0.00 O ATOM 1201 CB THR A 77 -0.478 2.124 -29.382 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.622 3.213 -28.475 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.909 1.624 -29.594 1.00 0.00 C ATOM 0 H THR A 77 -1.296 0.826 -27.404 1.00 0.00 H new ATOM 0 HA THR A 77 0.901 0.491 -29.349 1.00 0.00 H new ATOM 0 HB THR A 77 -0.021 2.338 -30.348 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.022 2.892 -27.640 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.480 2.376 -30.139 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.889 0.697 -30.167 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.378 1.443 -28.627 1.00 0.00 H new ATOM 1211 N PHE A 78 1.227 1.872 -26.492 1.00 0.00 N ATOM 1212 CA PHE A 78 2.185 2.473 -25.579 1.00 0.00 C ATOM 1213 C PHE A 78 2.993 1.399 -24.846 1.00 0.00 C ATOM 1214 O PHE A 78 3.940 1.712 -24.128 1.00 0.00 O ATOM 1215 CB PHE A 78 1.383 3.278 -24.554 1.00 0.00 C ATOM 1216 CG PHE A 78 0.925 4.647 -25.060 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.768 5.415 -25.801 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.325 5.096 -24.769 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.343 6.686 -26.270 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.751 6.367 -25.239 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.093 7.136 -25.979 1.00 0.00 C ATOM 0 H PHE A 78 0.365 1.547 -26.054 1.00 0.00 H new ATOM 0 HA PHE A 78 2.883 3.100 -26.133 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.508 2.700 -24.258 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.991 3.417 -23.660 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.761 5.058 -26.033 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.994 4.486 -24.180 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.013 7.296 -26.858 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.744 6.723 -25.009 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.230 8.103 -26.335 1.00 0.00 H new ATOM 1231 N ILE A 79 2.588 0.155 -25.054 1.00 0.00 N ATOM 1232 CA ILE A 79 3.261 -0.967 -24.422 1.00 0.00 C ATOM 1233 C ILE A 79 4.744 -0.942 -24.798 1.00 0.00 C ATOM 1234 O ILE A 79 5.089 -0.925 -25.979 1.00 0.00 O ATOM 1235 CB ILE A 79 2.560 -2.280 -24.773 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.590 -2.697 -23.664 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.577 -3.379 -25.087 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.163 -4.157 -23.830 1.00 0.00 C ATOM 0 H ILE A 79 1.802 -0.101 -25.652 1.00 0.00 H new ATOM 0 HA ILE A 79 3.204 -0.883 -23.337 1.00 0.00 H new ATOM 0 HB ILE A 79 1.970 -2.121 -25.675 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.063 -2.561 -22.692 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.711 -2.053 -23.683 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.051 -4.302 -25.333 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.192 -3.075 -25.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.213 -3.545 -24.218 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.474 -4.428 -23.030 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.668 -4.284 -24.793 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.042 -4.800 -23.786 1.00 0.00 H new ATOM 1250 N ILE A 80 5.582 -0.941 -23.771 1.00 0.00 N ATOM 1251 CA ILE A 80 7.020 -0.920 -23.978 1.00 0.00 C ATOM 1252 C ILE A 80 7.603 -2.289 -23.624 1.00 0.00 C ATOM 1253 O ILE A 80 8.668 -2.660 -24.114 1.00 0.00 O ATOM 1254 CB ILE A 80 7.656 0.239 -23.206 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.849 0.566 -21.948 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.837 1.463 -24.106 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.995 -0.539 -20.900 1.00 0.00 C ATOM 0 H ILE A 80 5.292 -0.954 -22.793 1.00 0.00 H new ATOM 0 HA ILE A 80 7.251 -0.738 -25.028 1.00 0.00 H new ATOM 0 HB ILE A 80 8.649 -0.070 -22.880 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.187 1.515 -21.531 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.798 0.689 -22.208 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.291 2.272 -23.533 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.484 1.205 -24.945 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.866 1.785 -24.482 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.412 -0.282 -20.016 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.633 -1.481 -21.312 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.044 -0.643 -20.624 1.00 0.00 H new ATOM 1269 N GLY A 81 6.879 -3.002 -22.774 1.00 0.00 N ATOM 1270 CA GLY A 81 7.312 -4.322 -22.347 1.00 0.00 C ATOM 1271 C GLY A 81 6.190 -5.053 -21.607 1.00 0.00 C ATOM 1272 O GLY A 81 5.012 -4.810 -21.861 1.00 0.00 O ATOM 0 H GLY A 81 5.996 -2.691 -22.370 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.621 -4.906 -23.214 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.182 -4.231 -21.697 1.00 0.00 H new ATOM 1276 N GLU A 82 6.595 -5.937 -20.707 1.00 0.00 N ATOM 1277 CA GLU A 82 5.640 -6.706 -19.929 1.00 0.00 C ATOM 1278 C GLU A 82 6.249 -7.103 -18.582 1.00 0.00 C ATOM 1279 O GLU A 82 7.468 -7.114 -18.427 1.00 0.00 O ATOM 1280 CB GLU A 82 5.171 -7.940 -20.702 1.00 0.00 C ATOM 1281 CG GLU A 82 5.318 -7.731 -22.211 1.00 0.00 C ATOM 1282 CD GLU A 82 4.892 -8.982 -22.982 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.450 -10.056 -22.673 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.018 -8.834 -23.864 1.00 0.00 O ATOM 0 H GLU A 82 7.573 -6.138 -20.499 1.00 0.00 H new ATOM 0 HA GLU A 82 4.767 -6.081 -19.741 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.752 -8.809 -20.393 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.129 -8.151 -20.460 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.711 -6.882 -22.525 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.354 -7.488 -22.449 1.00 0.00 H new ATOM 1291 N LEU A 83 5.371 -7.418 -17.642 1.00 0.00 N ATOM 1292 CA LEU A 83 5.805 -7.813 -16.313 1.00 0.00 C ATOM 1293 C LEU A 83 6.440 -9.204 -16.382 1.00 0.00 C ATOM 1294 O LEU A 83 5.780 -10.175 -16.750 1.00 0.00 O ATOM 1295 CB LEU A 83 4.647 -7.716 -15.319 1.00 0.00 C ATOM 1296 CG LEU A 83 5.037 -7.519 -13.852 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.461 -8.013 -13.593 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.848 -6.063 -13.424 1.00 0.00 C ATOM 0 H LEU A 83 4.360 -7.408 -17.774 1.00 0.00 H new ATOM 0 HA LEU A 83 6.569 -7.129 -15.944 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.006 -6.887 -15.618 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.050 -8.625 -15.397 1.00 0.00 H new ATOM 0 HG LEU A 83 4.370 -8.123 -13.237 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.713 -7.862 -12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.527 -9.074 -13.833 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.159 -7.456 -14.218 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.132 -5.951 -12.378 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.474 -5.418 -14.041 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.803 -5.780 -13.548 1.00 0.00 H new ATOM 1310 N HIS A 84 7.714 -9.255 -16.024 1.00 0.00 N ATOM 1311 CA HIS A 84 8.446 -10.511 -16.041 1.00 0.00 C ATOM 1312 C HIS A 84 7.864 -11.458 -14.989 1.00 0.00 C ATOM 1313 O HIS A 84 6.866 -11.138 -14.345 1.00 0.00 O ATOM 1314 CB HIS A 84 9.945 -10.268 -15.855 1.00 0.00 C ATOM 1315 CG HIS A 84 10.802 -10.841 -16.958 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.179 -10.937 -16.866 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.461 -11.348 -18.179 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.638 -11.478 -17.986 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.571 -11.731 -18.799 1.00 0.00 N ATOM 0 H HIS A 84 8.259 -8.448 -15.720 1.00 0.00 H new ATOM 0 HA HIS A 84 8.332 -10.990 -17.014 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.123 -9.195 -15.791 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.257 -10.700 -14.904 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.459 -11.425 -18.574 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.673 -11.682 -18.215 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.619 -12.146 -19.730 1.00 0.00 H new ATOM 1328 N PRO A 85 8.530 -12.635 -14.844 1.00 0.00 N ATOM 1329 CA PRO A 85 8.090 -13.631 -13.883 1.00 0.00 C ATOM 1330 C PRO A 85 8.450 -13.213 -12.456 1.00 0.00 C ATOM 1331 O PRO A 85 8.341 -14.008 -11.526 1.00 0.00 O ATOM 1332 CB PRO A 85 8.769 -14.920 -14.314 1.00 0.00 C ATOM 1333 CG PRO A 85 9.922 -14.504 -15.211 1.00 0.00 C ATOM 1334 CD PRO A 85 9.715 -13.047 -15.591 1.00 0.00 C ATOM 0 HA PRO A 85 7.007 -13.753 -13.869 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.128 -15.480 -13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.074 -15.568 -14.847 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.873 -14.632 -14.694 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.957 -15.130 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.581 -12.441 -15.325 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.565 -12.935 -16.665 1.00 0.00 H new ATOM 1342 N ASP A 86 8.871 -11.962 -12.329 1.00 0.00 N ATOM 1343 CA ASP A 86 9.247 -11.427 -11.031 1.00 0.00 C ATOM 1344 C ASP A 86 7.985 -11.125 -10.223 1.00 0.00 C ATOM 1345 O ASP A 86 8.009 -11.151 -8.993 1.00 0.00 O ATOM 1346 CB ASP A 86 10.037 -10.126 -11.180 1.00 0.00 C ATOM 1347 CG ASP A 86 9.684 -9.035 -10.167 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.106 -9.185 -9.000 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.998 -8.076 -10.583 1.00 0.00 O ATOM 0 H ASP A 86 8.960 -11.304 -13.103 1.00 0.00 H new ATOM 0 HA ASP A 86 9.866 -12.169 -10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.100 -10.352 -11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.876 -9.734 -12.184 1.00 0.00 H new ATOM 1354 N ASP A 87 6.911 -10.845 -10.947 1.00 0.00 N ATOM 1355 CA ASP A 87 5.640 -10.537 -10.313 1.00 0.00 C ATOM 1356 C ASP A 87 4.598 -10.233 -11.391 1.00 0.00 C ATOM 1357 O ASP A 87 3.963 -9.180 -11.364 1.00 0.00 O ATOM 1358 CB ASP A 87 5.759 -9.307 -9.410 1.00 0.00 C ATOM 1359 CG ASP A 87 6.236 -9.596 -7.985 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.534 -10.370 -7.298 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.290 -9.035 -7.614 1.00 0.00 O ATOM 0 H ASP A 87 6.895 -10.825 -11.967 1.00 0.00 H new ATOM 0 HA ASP A 87 5.345 -11.398 -9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.449 -8.601 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.787 -8.816 -9.359 1.00 0.00 H new ATOM 1366 N ARG A 88 4.454 -11.174 -12.312 1.00 0.00 N ATOM 1367 CA ARG A 88 3.499 -11.020 -13.396 1.00 0.00 C ATOM 1368 C ARG A 88 2.179 -11.707 -13.042 1.00 0.00 C ATOM 1369 O ARG A 88 1.118 -11.086 -13.094 1.00 0.00 O ATOM 1370 CB ARG A 88 4.042 -11.615 -14.697 1.00 0.00 C ATOM 1371 CG ARG A 88 4.330 -13.109 -14.539 1.00 0.00 C ATOM 1372 CD ARG A 88 5.231 -13.618 -15.667 1.00 0.00 C ATOM 1373 NE ARG A 88 5.342 -15.091 -15.601 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.404 -15.937 -16.049 1.00 0.00 C ATOM 1375 NH1 ARG A 88 3.279 -15.459 -16.600 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.589 -17.260 -15.948 1.00 0.00 N ATOM 0 H ARG A 88 4.983 -12.046 -12.330 1.00 0.00 H new ATOM 0 HA ARG A 88 3.330 -9.953 -13.540 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.320 -11.463 -15.499 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.955 -11.094 -14.986 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.809 -13.291 -13.577 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.393 -13.665 -14.539 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.823 -13.319 -16.632 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.220 -13.167 -15.585 1.00 0.00 H new ATOM 0 HE ARG A 88 6.186 -15.488 -15.188 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.137 -14.452 -16.678 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.565 -16.102 -16.941 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.445 -17.625 -15.530 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.874 -17.902 -16.289 1.00 0.00 H new ATOM 1390 N SER A 89 2.286 -12.979 -12.688 1.00 0.00 N ATOM 1391 CA SER A 89 1.113 -13.757 -12.325 1.00 0.00 C ATOM 1392 C SER A 89 0.610 -13.331 -10.944 1.00 0.00 C ATOM 1393 O SER A 89 -0.410 -13.829 -10.471 1.00 0.00 O ATOM 1394 CB SER A 89 1.420 -15.255 -12.340 1.00 0.00 C ATOM 1395 OG SER A 89 0.233 -16.044 -12.312 1.00 0.00 O ATOM 0 H SER A 89 3.167 -13.491 -12.645 1.00 0.00 H new ATOM 0 HA SER A 89 0.334 -13.566 -13.063 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.996 -15.498 -13.233 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.042 -15.506 -11.481 1.00 0.00 H new ATOM 0 HG SER A 89 -0.454 -15.583 -11.786 1.00 0.00 H new ATOM 1401 N LYS A 90 1.349 -12.414 -10.337 1.00 0.00 N ATOM 1402 CA LYS A 90 0.991 -11.916 -9.021 1.00 0.00 C ATOM 1403 C LYS A 90 0.156 -10.641 -9.172 1.00 0.00 C ATOM 1404 O LYS A 90 -0.301 -10.074 -8.181 1.00 0.00 O ATOM 1405 CB LYS A 90 2.241 -11.733 -8.157 1.00 0.00 C ATOM 1406 CG LYS A 90 2.379 -12.873 -7.147 1.00 0.00 C ATOM 1407 CD LYS A 90 1.731 -12.504 -5.811 1.00 0.00 C ATOM 1408 CE LYS A 90 0.621 -13.494 -5.450 1.00 0.00 C ATOM 1409 NZ LYS A 90 -0.103 -13.041 -4.239 1.00 0.00 N ATOM 0 H LYS A 90 2.194 -12.003 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 90 0.372 -12.643 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.125 -11.697 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.188 -10.780 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.913 -13.774 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.434 -13.101 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.487 -12.497 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.320 -11.496 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.075 -13.589 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.048 -14.482 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.853 -13.723 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.562 -12.973 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.527 -12.108 -4.417 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.017 -10.231 -10.419 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.787 -9.034 -10.712 1.00 0.00 C ATOM 1425 C ILE A 91 -1.696 -9.300 -11.914 1.00 0.00 C ATOM 1426 O ILE A 91 -2.857 -8.894 -11.921 1.00 0.00 O ATOM 1427 CB ILE A 91 0.139 -7.831 -10.896 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.635 -7.737 -12.342 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.296 -7.872 -9.895 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.842 -6.802 -12.448 1.00 0.00 C ATOM 0 H ILE A 91 0.362 -10.706 -11.238 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.433 -8.782 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.432 -6.925 -10.692 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.906 -8.729 -12.702 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.168 -7.374 -12.983 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.940 -7.006 -10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.900 -7.856 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.874 -8.784 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.174 -6.753 -13.485 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.561 -5.805 -12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.652 -7.181 -11.825 1.00 0.00 H new ATOM 1442 N THR A 92 -1.134 -9.981 -12.903 1.00 0.00 N ATOM 1443 CA THR A 92 -1.877 -10.307 -14.107 1.00 0.00 C ATOM 1444 C THR A 92 -3.361 -10.499 -13.782 1.00 0.00 C ATOM 1445 O THR A 92 -4.224 -9.917 -14.437 1.00 0.00 O ATOM 1446 CB THR A 92 -1.231 -11.537 -14.744 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.785 -11.579 -16.057 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.698 -12.844 -14.101 1.00 0.00 C ATOM 0 H THR A 92 -0.171 -10.316 -12.894 1.00 0.00 H new ATOM 0 HA THR A 92 -1.837 -9.491 -14.829 1.00 0.00 H new ATOM 0 HB THR A 92 -0.147 -11.460 -14.663 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.418 -12.347 -16.542 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.209 -13.686 -14.591 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.440 -12.841 -13.042 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.778 -12.938 -14.211 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.610 -11.318 -12.770 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.973 -11.594 -12.349 1.00 0.00 C ATOM 1458 C LYS A 93 -5.434 -10.506 -11.377 1.00 0.00 C ATOM 1459 O LYS A 93 -4.794 -10.272 -10.353 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.082 -13.012 -11.782 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.517 -13.321 -11.351 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.783 -12.823 -9.929 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.784 -13.726 -9.209 1.00 0.00 C ATOM 1464 NZ LYS A 93 -7.395 -13.908 -7.793 1.00 0.00 N ATOM 0 H LYS A 93 -2.891 -11.799 -12.230 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.648 -11.564 -13.204 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.761 -13.734 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.411 -13.119 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.217 -12.851 -12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.692 -14.396 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.848 -12.793 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.167 -11.803 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.781 -13.290 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.832 -14.695 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.086 -14.524 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.452 -14.345 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.373 -12.983 -7.318 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.568 -9.851 -11.742 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.121 -8.793 -10.915 1.00 0.00 C ATOM 1480 C PRO A 94 -7.811 -9.369 -9.677 1.00 0.00 C ATOM 1481 O PRO A 94 -7.177 -9.557 -8.640 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.074 -8.038 -11.828 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.370 -8.973 -12.987 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.351 -10.102 -12.949 1.00 0.00 C ATOM 0 HA PRO A 94 -6.356 -8.125 -10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.989 -7.769 -11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.624 -7.110 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.382 -9.370 -12.908 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.311 -8.437 -13.934 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.839 -11.076 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.721 -10.097 -13.838 1.00 0.00 H new ATOM 1492 N SER A 95 -9.102 -9.634 -9.826 1.00 0.00 N ATOM 1493 CA SER A 95 -9.884 -10.185 -8.733 1.00 0.00 C ATOM 1494 C SER A 95 -11.326 -10.410 -9.186 1.00 0.00 C ATOM 1495 O SER A 95 -11.642 -10.269 -10.366 1.00 0.00 O ATOM 1496 CB SER A 95 -9.848 -9.263 -7.512 1.00 0.00 C ATOM 1497 OG SER A 95 -10.727 -8.152 -7.656 1.00 0.00 O ATOM 0 H SER A 95 -9.625 -9.477 -10.688 1.00 0.00 H new ATOM 0 HA SER A 95 -9.447 -11.141 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.122 -9.829 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.831 -8.903 -7.360 1.00 0.00 H new ATOM 0 HG SER A 95 -10.676 -7.589 -6.856 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.168 -10.758 -8.221 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.571 -11.006 -8.507 1.00 0.00 C ATOM 1505 C GLU A 96 -14.453 -10.064 -7.682 1.00 0.00 C ATOM 1506 O GLU A 96 -13.948 -9.200 -6.969 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.935 -12.467 -8.243 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.567 -12.877 -6.816 1.00 0.00 C ATOM 1509 CD GLU A 96 -13.897 -14.349 -6.563 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -13.366 -15.188 -7.323 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.675 -14.602 -5.619 1.00 0.00 O ATOM 0 H GLU A 96 -11.905 -10.874 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.747 -10.808 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.003 -12.613 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.415 -13.109 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.504 -12.705 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.107 -12.253 -6.104 1.00 0.00 H new ATOM 1518 N SER A 97 -15.758 -10.264 -7.810 1.00 0.00 N ATOM 1519 CA SER A 97 -16.714 -9.445 -7.086 1.00 0.00 C ATOM 1520 C SER A 97 -17.881 -10.309 -6.602 1.00 0.00 C ATOM 1521 O SER A 97 -18.423 -11.108 -7.362 1.00 0.00 O ATOM 1522 CB SER A 97 -17.228 -8.299 -7.959 1.00 0.00 C ATOM 1523 OG SER A 97 -18.128 -8.755 -8.966 1.00 0.00 O ATOM 0 H SER A 97 -16.174 -10.981 -8.404 1.00 0.00 H new ATOM 0 HA SER A 97 -16.210 -9.010 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.730 -7.562 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.384 -7.795 -8.429 1.00 0.00 H new ATOM 0 HG SER A 97 -18.434 -7.993 -9.500 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.233 -10.115 -5.339 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.326 -10.866 -4.744 1.00 0.00 C ATOM 1531 C ILE A 98 -19.780 -10.168 -3.462 1.00 0.00 C ATOM 1532 O ILE A 98 -19.017 -10.065 -2.501 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.923 -12.327 -4.539 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -20.155 -13.227 -4.435 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -18.000 -12.476 -3.327 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -19.979 -14.499 -5.266 1.00 0.00 C ATOM 0 H ILE A 98 -17.781 -9.449 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 98 -20.184 -10.887 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.361 -12.652 -5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -20.329 -13.491 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -21.036 -12.684 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.728 -13.524 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.098 -11.883 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -18.515 -12.127 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -20.870 -15.120 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -19.830 -14.232 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.112 -15.052 -4.905 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.021 -9.703 -3.485 1.00 0.00 N ATOM 1549 CA ILE A 99 -21.586 -9.017 -2.336 1.00 0.00 C ATOM 1550 C ILE A 99 -22.911 -9.678 -1.952 1.00 0.00 C ATOM 1551 O ILE A 99 -23.349 -10.622 -2.608 1.00 0.00 O ATOM 1552 CB ILE A 99 -21.705 -7.517 -2.612 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -22.559 -7.255 -3.854 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.323 -6.868 -2.720 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -23.420 -6.002 -3.674 1.00 0.00 C ATOM 0 H ILE A 99 -21.651 -9.788 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.923 -9.108 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 99 -22.214 -7.053 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -21.914 -7.135 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -23.199 -8.116 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.436 -5.802 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.781 -7.009 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.767 -7.330 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -24.017 -5.839 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -24.081 -6.135 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.776 -5.139 -3.505 1.00 0.00 H new ATOM 1567 N THR A 100 -23.511 -9.157 -0.894 1.00 0.00 N ATOM 1568 CA THR A 100 -24.778 -9.685 -0.415 1.00 0.00 C ATOM 1569 C THR A 100 -25.410 -8.724 0.593 1.00 0.00 C ATOM 1570 O THR A 100 -24.708 -8.107 1.394 1.00 0.00 O ATOM 1571 CB THR A 100 -24.522 -11.081 0.155 1.00 0.00 C ATOM 1572 OG1 THR A 100 -25.825 -11.586 0.434 1.00 0.00 O ATOM 1573 CG2 THR A 100 -23.839 -11.040 1.524 1.00 0.00 C ATOM 0 H THR A 100 -23.144 -8.374 -0.353 1.00 0.00 H new ATOM 0 HA THR A 100 -25.501 -9.776 -1.226 1.00 0.00 H new ATOM 0 HB THR A 100 -23.905 -11.649 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.753 -12.490 0.806 1.00 0.00 H new ATOM 0 HG21 THR A 100 -23.681 -12.057 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 100 -22.878 -10.533 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.471 -10.501 2.230 1.00 0.00 H new ATOM 1581 N THR A 101 -26.728 -8.623 0.521 1.00 0.00 N ATOM 1582 CA THR A 101 -27.464 -7.748 1.417 1.00 0.00 C ATOM 1583 C THR A 101 -28.907 -8.231 1.570 1.00 0.00 C ATOM 1584 O THR A 101 -29.446 -8.885 0.678 1.00 0.00 O ATOM 1585 CB THR A 101 -27.355 -6.320 0.878 1.00 0.00 C ATOM 1586 OG1 THR A 101 -25.993 -5.967 1.108 1.00 0.00 O ATOM 1587 CG2 THR A 101 -28.148 -5.315 1.716 1.00 0.00 C ATOM 0 H THR A 101 -27.307 -9.134 -0.146 1.00 0.00 H new ATOM 0 HA THR A 101 -27.041 -7.765 2.422 1.00 0.00 H new ATOM 0 HB THR A 101 -27.710 -6.292 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 101 -25.532 -6.712 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.036 -4.318 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 101 -29.202 -5.593 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 101 -27.771 -5.317 2.739 1.00 0.00 H new ATOM 1595 N ILE A 102 -29.495 -7.890 2.708 1.00 0.00 N ATOM 1596 CA ILE A 102 -30.865 -8.281 2.989 1.00 0.00 C ATOM 1597 C ILE A 102 -31.422 -7.402 4.110 1.00 0.00 C ATOM 1598 O ILE A 102 -32.533 -6.882 4.003 1.00 0.00 O ATOM 1599 CB ILE A 102 -30.946 -9.779 3.287 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -32.398 -10.228 3.457 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -30.087 -10.144 4.500 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -32.510 -11.754 3.423 1.00 0.00 C ATOM 0 H ILE A 102 -29.047 -7.347 3.446 1.00 0.00 H new ATOM 0 HA ILE A 102 -31.493 -8.119 2.113 1.00 0.00 H new ATOM 0 HB ILE A 102 -30.541 -10.319 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -32.790 -9.852 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -33.010 -9.797 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -30.162 -11.215 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -29.047 -9.883 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -30.439 -9.595 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -33.553 -12.045 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -32.140 -12.125 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -31.916 -12.180 4.232 1.00 0.00 H new ATOM 1614 N ASP A 103 -30.626 -7.260 5.160 1.00 0.00 N ATOM 1615 CA ASP A 103 -31.025 -6.451 6.300 1.00 0.00 C ATOM 1616 C ASP A 103 -31.510 -5.087 5.805 1.00 0.00 C ATOM 1617 O ASP A 103 -31.346 -4.752 4.633 1.00 0.00 O ATOM 1618 CB ASP A 103 -29.849 -6.219 7.249 1.00 0.00 C ATOM 1619 CG ASP A 103 -30.230 -5.689 8.633 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -30.995 -6.397 9.322 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -29.749 -4.586 8.969 1.00 0.00 O ATOM 0 H ASP A 103 -29.706 -7.692 5.245 1.00 0.00 H new ATOM 0 HA ASP A 103 -31.816 -6.981 6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -29.310 -7.158 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -29.160 -5.514 6.784 1.00 0.00 H new ATOM 1626 N SER A 104 -32.100 -4.336 6.724 1.00 0.00 N ATOM 1627 CA SER A 104 -32.609 -3.015 6.398 1.00 0.00 C ATOM 1628 C SER A 104 -33.722 -3.128 5.354 1.00 0.00 C ATOM 1629 O SER A 104 -33.597 -3.874 4.385 1.00 0.00 O ATOM 1630 CB SER A 104 -31.491 -2.105 5.886 1.00 0.00 C ATOM 1631 OG SER A 104 -32.004 -0.943 5.237 1.00 0.00 O ATOM 0 H SER A 104 -32.237 -4.618 7.695 1.00 0.00 H new ATOM 0 HA SER A 104 -33.015 -2.570 7.307 1.00 0.00 H new ATOM 0 HB2 SER A 104 -30.857 -1.804 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 104 -30.861 -2.660 5.191 1.00 0.00 H new ATOM 0 HG SER A 104 -31.260 -0.387 4.926 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.265 5.434 -17.542 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.904 7.160 -18.781 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.127 4.871 -20.740 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.734 3.519 -16.284 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.259 6.159 -14.352 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.908 5.912 -19.366 1.00 0.00 N HETATM 1644 C1A HEM A 105 -10.064 6.549 -19.704 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.243 6.546 -21.168 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.138 5.966 -21.737 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.305 5.584 -20.619 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.842 5.757 -23.220 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.469 7.054 -21.900 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.644 6.101 -21.746 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.217 4.648 -21.699 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.095 4.027 -22.771 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.041 4.102 -20.595 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.752 4.445 -18.328 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.403 4.324 -19.684 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.212 3.508 -19.850 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.860 3.073 -18.586 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.796 3.686 -17.669 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.574 3.124 -21.186 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.968 2.052 -18.187 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.666 1.815 -18.569 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.631 4.940 -15.719 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.580 4.095 -15.383 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.459 3.909 -13.921 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.465 4.661 -13.385 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.164 5.318 -14.498 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.411 2.998 -13.233 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.793 4.812 -12.031 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.821 4.976 -11.058 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.795 6.422 -16.720 1.00 0.00 N HETATM 1671 C1D HEM A 105 -10.035 6.672 -15.364 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.161 7.549 -15.185 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.584 7.863 -16.422 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.778 7.121 -17.385 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.791 7.997 -13.873 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.631 8.889 -16.776 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.991 8.242 -16.862 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.738 8.650 -18.109 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.065 8.946 -19.118 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.991 8.660 -18.089 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.779 5.637 -23.765 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.232 4.863 -23.347 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.304 6.622 -23.609 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.345 3.065 -21.954 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.083 2.156 -21.090 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.838 3.877 -21.468 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.166 2.164 -13.891 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.820 2.614 -12.298 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.509 3.574 -13.025 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.663 7.217 -13.123 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.854 8.183 -14.025 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.308 8.912 -13.531 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.122 0.967 -18.153 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.180 2.475 -19.288 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.110 5.091 -10.013 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.767 4.990 -11.337 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.335 6.246 -22.577 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.187 6.345 -20.833 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.237 7.179 -22.958 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.743 8.036 -21.515 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.577 8.514 -15.984 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.878 7.158 -16.847 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.383 9.358 -17.728 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.644 9.679 -16.025 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.737 7.721 -19.178 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.736 4.726 -21.736 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.953 2.882 -15.895 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.528 6.438 -13.344 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.373 1.342 -17.465 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.842 4.800 -11.735 1.00 0.00 H new