USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 MET CE :methyl 136:sc= -0.237 (180deg=-0.894) USER MOD Set 1.2: B 68 CYS SG : rot 45:sc= 0.0178 USER MOD Set 2.1: B 28 LYS NZ :NH3+ 174:sc= 0.871 (180deg=0.523) USER MOD Set 2.2: B 30 SER OG : rot 135:sc= 1.68 USER MOD Set 3.1: A 82 THR OG1 : rot 81:sc= 1.94 USER MOD Set 3.2: B 71 GLN : amide:sc= 0.821 K(o=2.8,f=1.8) USER MOD Set 4.1: A 71 GLN : amide:sc= 0.566 K(o=2.8,f=1.8) USER MOD Set 4.2: B 82 THR OG1 : rot 77:sc= 2.28 USER MOD Set 5.1: A 57 MET CE :methyl 149:sc= -0.553 (180deg=-3.71!) USER MOD Set 5.2: A 68 CYS SG : rot 180:sc= -0.249 USER MOD Set 6.1: A 17 TYR OH : rot 22:sc= 2.13 USER MOD Set 6.2: A 38 ASN : amide:sc= 1.04 K(o=3.2,f=0.65) USER MOD Set 7.1: A 29 LYS NZ :NH3+ 169:sc= 0.877 (180deg=0) USER MOD Set 7.2: A 50 GLN : amide:sc= 1.5 K(o=2.4,f=-3.9) USER MOD Set 8.1: A 15 HIS : no HD1:sc= 0.887 K(o=1.1,f=-8.2!) USER MOD Set 8.2: B 85 HIS : no HD1:sc= 0.197 K(o=1.1,f=-7.2!) USER MOD Single : A 1 SER N :NH3+ 170:sc= 0.746 (180deg=0.686) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00445 USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= 0.242 (180deg=0.148) USER MOD Single : A 16 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.41) USER MOD Single : A 18 SER OG : rot -176:sc= 1.49 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.301 (180deg=-0.847) USER MOD Single : A 25 HIS : no HE2:sc= 0.919 K(o=0.92,f=-2.8!) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0.16 (180deg=0.135) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc=-0.00378 (180deg=-0.0436) USER MOD Single : A 30 SER OG : rot 169:sc= 1.32 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.781 (180deg=0.666) USER MOD Single : A 37 ASN : amide:sc= 1.78 K(o=1.8,f=-5.8!) USER MOD Single : A 41 SER OG : rot -63:sc= 1.39 USER MOD Single : A 42 HIS : no HE2:sc= 0.719 K(o=0.72,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc=-0.00242 (180deg=-0.1) USER MOD Single : A 59 THR OG1 : rot 78:sc= 1.12 USER MOD Single : A 62 SER OG : rot 107:sc= 1.28 USER MOD Single : A 74 MET CE :methyl 179:sc= -0.087 (180deg=-0.0887) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 84 CYS SG : rot 159:sc= 0.306 USER MOD Single : A 85 HIS : no HE2:sc= -0.525 K(o=-0.53,f=-3.1!) USER MOD Single : B 1 SER N :NH3+ 131:sc= 0.0548 (180deg=0) USER MOD Single : B 1 SER OG : rot -171:sc= 0.636 USER MOD Single : B 5 LYS NZ :NH3+ -169:sc= -0.012 (180deg=-0.153) USER MOD Single : B 15 HIS : no HE2:sc= 0.818 K(o=0.82,f=-3!) USER MOD Single : B 16 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : B 17 TYR OH : rot 33:sc= 1.29 USER MOD Single : B 18 SER OG : rot 158:sc= 1.86 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HE2:sc= 0.903 K(o=0.9,f=-2.8!) USER MOD Single : B 26 LYS NZ :NH3+ -178:sc= 0.986 (180deg=0.983) USER MOD Single : B 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0243) USER MOD Single : B 33 LYS NZ :NH3+ 162:sc= 2.01 (180deg=1.33) USER MOD Single : B 37 ASN : amide:sc= 1.35 K(o=1.4,f=-2) USER MOD Single : B 38 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : B 41 SER OG : rot -66:sc= 1.3 USER MOD Single : B 42 HIS : no HE2:sc= 0.878 K(o=0.88,f=-3.3!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : B 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0678) USER MOD Single : B 59 THR OG1 : rot 83:sc= 1.21 USER MOD Single : B 62 SER OG : rot 160:sc= -0.425 USER MOD Single : B 74 MET CE :methyl 167:sc=-0.00339 (180deg=-0.347) USER MOD Single : B 79 MET CE :methyl 163:sc= 0 (180deg=-0.232) USER MOD Single : B 81 THR OG1 : rot 89:sc= 1.23 USER MOD Single : B 84 CYS SG : rot 56:sc= -0.227 USER MOD Single : D 74 THR OG1 : rot -18:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.462 3.222 -13.359 1.00 0.00 N ATOM 2 CA SER A 1 8.275 3.636 -14.130 1.00 0.00 C ATOM 3 C SER A 1 7.000 2.971 -13.615 1.00 0.00 C ATOM 4 O SER A 1 6.075 3.650 -13.177 1.00 0.00 O ATOM 5 CB SER A 1 8.468 3.387 -15.632 1.00 0.00 C ATOM 6 OG SER A 1 9.676 3.982 -16.067 1.00 0.00 O ATOM 0 H1 SER A 1 10.322 3.557 -13.839 1.00 0.00 H new ATOM 0 H2 SER A 1 9.416 3.632 -12.404 1.00 0.00 H new ATOM 0 H3 SER A 1 9.486 2.185 -13.289 1.00 0.00 H new ATOM 0 HA SER A 1 8.158 4.710 -13.985 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.487 2.316 -15.832 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.627 3.801 -16.189 1.00 0.00 H new ATOM 0 HG SER A 1 9.795 3.818 -17.026 1.00 0.00 H new ATOM 14 N GLU A 2 6.957 1.639 -13.669 1.00 0.00 N ATOM 15 CA GLU A 2 5.748 0.862 -13.421 1.00 0.00 C ATOM 16 C GLU A 2 5.117 1.226 -12.075 1.00 0.00 C ATOM 17 O GLU A 2 3.936 1.566 -12.004 1.00 0.00 O ATOM 18 CB GLU A 2 6.052 -0.644 -13.495 1.00 0.00 C ATOM 19 CG GLU A 2 6.807 -1.068 -14.764 1.00 0.00 C ATOM 20 CD GLU A 2 6.149 -0.536 -16.034 1.00 0.00 C ATOM 21 OE1 GLU A 2 5.101 -1.104 -16.411 1.00 0.00 O ATOM 22 OE2 GLU A 2 6.697 0.442 -16.587 1.00 0.00 O ATOM 0 H GLU A 2 7.771 1.066 -13.889 1.00 0.00 H new ATOM 0 HA GLU A 2 5.025 1.107 -14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.640 -0.929 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.114 -1.197 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.834 -0.707 -14.711 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.854 -2.156 -14.810 1.00 0.00 H new ATOM 29 N LEU A 3 5.919 1.169 -11.009 1.00 0.00 N ATOM 30 CA LEU A 3 5.463 1.495 -9.666 1.00 0.00 C ATOM 31 C LEU A 3 4.884 2.911 -9.633 1.00 0.00 C ATOM 32 O LEU A 3 3.782 3.121 -9.140 1.00 0.00 O ATOM 33 CB LEU A 3 6.609 1.345 -8.655 1.00 0.00 C ATOM 34 CG LEU A 3 7.259 -0.049 -8.646 1.00 0.00 C ATOM 35 CD1 LEU A 3 8.369 -0.070 -7.590 1.00 0.00 C ATOM 36 CD2 LEU A 3 6.254 -1.169 -8.350 1.00 0.00 C ATOM 0 H LEU A 3 6.900 0.895 -11.058 1.00 0.00 H new ATOM 0 HA LEU A 3 4.675 0.797 -9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.374 2.089 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.230 1.564 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 3 7.661 -0.234 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.838 -1.054 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.117 0.684 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.943 0.145 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.768 -2.130 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.804 -1.005 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.475 -1.169 -9.112 1.00 0.00 H new ATOM 48 N GLU A 4 5.622 3.883 -10.176 1.00 0.00 N ATOM 49 CA GLU A 4 5.208 5.278 -10.189 1.00 0.00 C ATOM 50 C GLU A 4 3.877 5.438 -10.929 1.00 0.00 C ATOM 51 O GLU A 4 2.978 6.127 -10.454 1.00 0.00 O ATOM 52 CB GLU A 4 6.307 6.135 -10.830 1.00 0.00 C ATOM 53 CG GLU A 4 7.614 6.038 -10.030 1.00 0.00 C ATOM 54 CD GLU A 4 8.753 6.821 -10.674 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.794 6.869 -11.923 1.00 0.00 O ATOM 56 OE2 GLU A 4 9.568 7.371 -9.901 1.00 0.00 O ATOM 0 H GLU A 4 6.526 3.718 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 4 5.057 5.617 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.478 5.807 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.982 7.174 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.446 6.412 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.903 4.991 -9.939 1.00 0.00 H new ATOM 63 N LYS A 5 3.754 4.788 -12.088 1.00 0.00 N ATOM 64 CA LYS A 5 2.563 4.824 -12.923 1.00 0.00 C ATOM 65 C LYS A 5 1.385 4.303 -12.101 1.00 0.00 C ATOM 66 O LYS A 5 0.377 4.988 -11.928 1.00 0.00 O ATOM 67 CB LYS A 5 2.808 4.003 -14.201 1.00 0.00 C ATOM 68 CG LYS A 5 1.754 4.194 -15.303 1.00 0.00 C ATOM 69 CD LYS A 5 0.367 3.644 -14.936 1.00 0.00 C ATOM 70 CE LYS A 5 -0.498 3.470 -16.190 1.00 0.00 C ATOM 71 NZ LYS A 5 -1.829 2.928 -15.860 1.00 0.00 N ATOM 0 H LYS A 5 4.500 4.210 -12.476 1.00 0.00 H new ATOM 0 HA LYS A 5 2.329 5.840 -13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.786 4.267 -14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.848 2.947 -13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.665 5.257 -15.528 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.100 3.704 -16.213 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.474 2.686 -14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.126 4.323 -14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.610 4.431 -16.692 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.004 2.802 -16.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.233 2.465 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.740 2.234 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.454 3.702 -15.557 1.00 0.00 H new ATOM 85 N ALA A 6 1.535 3.087 -11.574 1.00 0.00 N ATOM 86 CA ALA A 6 0.540 2.451 -10.728 1.00 0.00 C ATOM 87 C ALA A 6 0.118 3.403 -9.605 1.00 0.00 C ATOM 88 O ALA A 6 -1.062 3.695 -9.437 1.00 0.00 O ATOM 89 CB ALA A 6 1.134 1.149 -10.182 1.00 0.00 C ATOM 0 H ALA A 6 2.364 2.513 -11.728 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.358 2.215 -11.299 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.402 0.655 -9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.394 0.492 -11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.029 1.373 -9.602 1.00 0.00 H new ATOM 95 N VAL A 7 1.093 3.920 -8.864 1.00 0.00 N ATOM 96 CA VAL A 7 0.892 4.851 -7.770 1.00 0.00 C ATOM 97 C VAL A 7 0.069 6.075 -8.205 1.00 0.00 C ATOM 98 O VAL A 7 -0.966 6.363 -7.599 1.00 0.00 O ATOM 99 CB VAL A 7 2.273 5.180 -7.178 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.281 6.453 -6.341 1.00 0.00 C ATOM 101 CG2 VAL A 7 2.748 4.003 -6.313 1.00 0.00 C ATOM 0 H VAL A 7 2.075 3.692 -9.017 1.00 0.00 H new ATOM 0 HA VAL A 7 0.286 4.406 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 7 2.947 5.347 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.285 6.627 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.980 7.298 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.584 6.346 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.727 4.233 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.036 3.834 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.819 3.105 -6.927 1.00 0.00 H new ATOM 111 N VAL A 8 0.485 6.797 -9.254 1.00 0.00 N ATOM 112 CA VAL A 8 -0.295 7.953 -9.688 1.00 0.00 C ATOM 113 C VAL A 8 -1.688 7.525 -10.151 1.00 0.00 C ATOM 114 O VAL A 8 -2.649 8.252 -9.916 1.00 0.00 O ATOM 115 CB VAL A 8 0.425 8.851 -10.710 1.00 0.00 C ATOM 116 CG1 VAL A 8 1.728 9.409 -10.130 1.00 0.00 C ATOM 117 CG2 VAL A 8 0.692 8.180 -12.058 1.00 0.00 C ATOM 0 H VAL A 8 1.327 6.608 -9.798 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.414 8.591 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.268 9.668 -10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.216 10.040 -10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.507 10.000 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.390 8.585 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.202 8.881 -12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.319 7.301 -11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.254 7.879 -12.508 1.00 0.00 H new ATOM 127 N ALA A 9 -1.828 6.345 -10.765 1.00 0.00 N ATOM 128 CA ALA A 9 -3.139 5.822 -11.123 1.00 0.00 C ATOM 129 C ALA A 9 -4.011 5.639 -9.875 1.00 0.00 C ATOM 130 O ALA A 9 -5.151 6.100 -9.860 1.00 0.00 O ATOM 131 CB ALA A 9 -3.018 4.531 -11.937 1.00 0.00 C ATOM 0 H ALA A 9 -1.048 5.740 -11.021 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.636 6.552 -11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.013 4.165 -12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.462 4.729 -12.853 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.493 3.778 -11.349 1.00 0.00 H new ATOM 137 N LEU A 10 -3.480 5.012 -8.816 1.00 0.00 N ATOM 138 CA LEU A 10 -4.214 4.824 -7.567 1.00 0.00 C ATOM 139 C LEU A 10 -4.709 6.178 -7.055 1.00 0.00 C ATOM 140 O LEU A 10 -5.892 6.339 -6.754 1.00 0.00 O ATOM 141 CB LEU A 10 -3.333 4.163 -6.488 1.00 0.00 C ATOM 142 CG LEU A 10 -2.870 2.722 -6.758 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.035 2.234 -5.568 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.035 1.755 -6.974 1.00 0.00 C ATOM 0 H LEU A 10 -2.536 4.625 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.059 4.165 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.448 4.783 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.884 4.172 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.283 2.737 -7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.703 1.212 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.167 2.881 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.641 2.261 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.647 0.754 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.665 1.740 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.624 2.081 -7.831 1.00 0.00 H new ATOM 156 N ILE A 11 -3.800 7.152 -6.967 1.00 0.00 N ATOM 157 CA ILE A 11 -4.135 8.480 -6.468 1.00 0.00 C ATOM 158 C ILE A 11 -5.202 9.124 -7.358 1.00 0.00 C ATOM 159 O ILE A 11 -6.228 9.578 -6.859 1.00 0.00 O ATOM 160 CB ILE A 11 -2.861 9.338 -6.371 1.00 0.00 C ATOM 161 CG1 ILE A 11 -1.924 8.725 -5.316 1.00 0.00 C ATOM 162 CG2 ILE A 11 -3.197 10.790 -5.992 1.00 0.00 C ATOM 163 CD1 ILE A 11 -0.520 9.318 -5.380 1.00 0.00 C ATOM 0 H ILE A 11 -2.823 7.041 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.555 8.402 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.371 9.351 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.341 8.889 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.868 7.647 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.278 11.372 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.850 11.222 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.702 10.806 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.106 8.855 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.091 9.131 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.571 10.393 -5.205 1.00 0.00 H new ATOM 175 N ASP A 12 -4.973 9.160 -8.670 1.00 0.00 N ATOM 176 CA ASP A 12 -5.860 9.820 -9.619 1.00 0.00 C ATOM 177 C ASP A 12 -7.267 9.224 -9.559 1.00 0.00 C ATOM 178 O ASP A 12 -8.246 9.953 -9.403 1.00 0.00 O ATOM 179 CB ASP A 12 -5.280 9.710 -11.033 1.00 0.00 C ATOM 180 CG ASP A 12 -6.213 10.353 -12.053 1.00 0.00 C ATOM 181 OD1 ASP A 12 -6.192 11.600 -12.135 1.00 0.00 O ATOM 182 OD2 ASP A 12 -6.943 9.586 -12.717 1.00 0.00 O ATOM 0 H ASP A 12 -4.158 8.727 -9.105 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.937 10.874 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.305 10.195 -11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.124 8.661 -11.286 1.00 0.00 H new ATOM 187 N VAL A 13 -7.361 7.897 -9.658 1.00 0.00 N ATOM 188 CA VAL A 13 -8.631 7.194 -9.553 1.00 0.00 C ATOM 189 C VAL A 13 -9.289 7.549 -8.219 1.00 0.00 C ATOM 190 O VAL A 13 -10.447 7.966 -8.183 1.00 0.00 O ATOM 191 CB VAL A 13 -8.401 5.681 -9.710 1.00 0.00 C ATOM 192 CG1 VAL A 13 -9.664 4.883 -9.372 1.00 0.00 C ATOM 193 CG2 VAL A 13 -7.995 5.349 -11.151 1.00 0.00 C ATOM 0 H VAL A 13 -6.559 7.285 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.307 7.501 -10.351 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.605 5.405 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.465 3.818 -9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.955 5.082 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.472 5.180 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.836 4.275 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.786 5.660 -11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.074 5.876 -11.400 1.00 0.00 H new ATOM 203 N PHE A 14 -8.551 7.392 -7.117 1.00 0.00 N ATOM 204 CA PHE A 14 -9.100 7.679 -5.805 1.00 0.00 C ATOM 205 C PHE A 14 -9.680 9.094 -5.752 1.00 0.00 C ATOM 206 O PHE A 14 -10.842 9.266 -5.390 1.00 0.00 O ATOM 207 CB PHE A 14 -8.041 7.464 -4.726 1.00 0.00 C ATOM 208 CG PHE A 14 -8.601 7.697 -3.343 1.00 0.00 C ATOM 209 CD1 PHE A 14 -9.266 6.656 -2.671 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.545 8.978 -2.767 1.00 0.00 C ATOM 211 CE1 PHE A 14 -9.801 6.873 -1.392 1.00 0.00 C ATOM 212 CE2 PHE A 14 -9.145 9.209 -1.521 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.753 8.155 -0.821 1.00 0.00 C ATOM 0 H PHE A 14 -7.583 7.071 -7.114 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.919 6.986 -5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.651 6.448 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.203 8.139 -4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.365 5.688 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.041 9.782 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.249 6.055 -0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.139 10.203 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.183 8.330 0.154 1.00 0.00 H new ATOM 223 N HIS A 15 -8.893 10.100 -6.146 1.00 0.00 N ATOM 224 CA HIS A 15 -9.328 11.489 -6.187 1.00 0.00 C ATOM 225 C HIS A 15 -10.621 11.607 -6.994 1.00 0.00 C ATOM 226 O HIS A 15 -11.598 12.186 -6.515 1.00 0.00 O ATOM 227 CB HIS A 15 -8.239 12.363 -6.828 1.00 0.00 C ATOM 228 CG HIS A 15 -7.172 12.856 -5.884 1.00 0.00 C ATOM 229 ND1 HIS A 15 -6.712 14.152 -5.813 1.00 0.00 N ATOM 230 CD2 HIS A 15 -6.431 12.107 -5.009 1.00 0.00 C ATOM 231 CE1 HIS A 15 -5.718 14.179 -4.914 1.00 0.00 C ATOM 232 NE2 HIS A 15 -5.497 12.955 -4.404 1.00 0.00 N ATOM 0 H HIS A 15 -7.928 9.966 -6.447 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.508 11.831 -5.168 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.761 11.793 -7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.716 13.225 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.547 11.050 -4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.168 15.066 -4.636 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.791 12.697 -3.715 1.00 0.00 H new ATOM 240 N GLN A 16 -10.610 11.069 -8.220 1.00 0.00 N ATOM 241 CA GLN A 16 -11.740 11.154 -9.130 1.00 0.00 C ATOM 242 C GLN A 16 -13.021 10.688 -8.447 1.00 0.00 C ATOM 243 O GLN A 16 -14.041 11.359 -8.570 1.00 0.00 O ATOM 244 CB GLN A 16 -11.454 10.372 -10.423 1.00 0.00 C ATOM 245 CG GLN A 16 -12.564 10.498 -11.482 1.00 0.00 C ATOM 246 CD GLN A 16 -13.616 9.387 -11.412 1.00 0.00 C ATOM 247 OE1 GLN A 16 -13.498 8.375 -12.094 1.00 0.00 O ATOM 248 NE2 GLN A 16 -14.662 9.557 -10.609 1.00 0.00 N ATOM 0 H GLN A 16 -9.811 10.563 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.887 12.197 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.515 10.725 -10.850 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.317 9.319 -10.177 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.059 11.462 -11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.110 10.493 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.743 10.406 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.384 8.839 -10.553 1.00 0.00 H new ATOM 257 N TYR A 17 -12.998 9.526 -7.792 1.00 0.00 N ATOM 258 CA TYR A 17 -14.188 8.959 -7.162 1.00 0.00 C ATOM 259 C TYR A 17 -14.543 9.723 -5.885 1.00 0.00 C ATOM 260 O TYR A 17 -15.679 10.157 -5.688 1.00 0.00 O ATOM 261 CB TYR A 17 -13.969 7.467 -6.888 1.00 0.00 C ATOM 262 CG TYR A 17 -14.177 6.587 -8.104 1.00 0.00 C ATOM 263 CD1 TYR A 17 -13.283 6.641 -9.188 1.00 0.00 C ATOM 264 CD2 TYR A 17 -15.255 5.686 -8.139 1.00 0.00 C ATOM 265 CE1 TYR A 17 -13.381 5.708 -10.230 1.00 0.00 C ATOM 266 CE2 TYR A 17 -15.356 4.758 -9.188 1.00 0.00 C ATOM 267 CZ TYR A 17 -14.389 4.735 -10.203 1.00 0.00 C ATOM 268 OH TYR A 17 -14.343 3.695 -11.079 1.00 0.00 O ATOM 0 H TYR A 17 -12.159 8.956 -7.684 1.00 0.00 H new ATOM 0 HA TYR A 17 -15.034 9.059 -7.841 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.956 7.320 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.650 7.148 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.519 7.403 -9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.004 5.707 -7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.681 5.739 -11.052 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.180 4.061 -9.213 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.423 3.573 -11.394 1.00 0.00 H new ATOM 278 N SER A 18 -13.557 9.895 -5.010 1.00 0.00 N ATOM 279 CA SER A 18 -13.728 10.522 -3.710 1.00 0.00 C ATOM 280 C SER A 18 -14.303 11.935 -3.833 1.00 0.00 C ATOM 281 O SER A 18 -15.125 12.351 -3.017 1.00 0.00 O ATOM 282 CB SER A 18 -12.381 10.485 -2.985 1.00 0.00 C ATOM 283 OG SER A 18 -11.934 9.150 -2.924 1.00 0.00 O ATOM 0 H SER A 18 -12.599 9.595 -5.191 1.00 0.00 H new ATOM 0 HA SER A 18 -14.461 9.971 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.653 11.103 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.482 10.895 -1.980 1.00 0.00 H new ATOM 0 HG SER A 18 -11.103 9.107 -2.406 1.00 0.00 H new ATOM 289 N GLY A 19 -13.928 12.663 -4.893 1.00 0.00 N ATOM 290 CA GLY A 19 -14.429 14.004 -5.120 1.00 0.00 C ATOM 291 C GLY A 19 -15.944 14.031 -5.327 1.00 0.00 C ATOM 292 O GLY A 19 -16.564 15.068 -5.111 1.00 0.00 O ATOM 0 H GLY A 19 -13.275 12.334 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.170 14.635 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.937 14.430 -5.995 1.00 0.00 H new ATOM 296 N ARG A 20 -16.538 12.920 -5.777 1.00 0.00 N ATOM 297 CA ARG A 20 -17.938 12.905 -6.172 1.00 0.00 C ATOM 298 C ARG A 20 -18.846 12.834 -4.950 1.00 0.00 C ATOM 299 O ARG A 20 -19.767 13.639 -4.826 1.00 0.00 O ATOM 300 CB ARG A 20 -18.218 11.750 -7.135 1.00 0.00 C ATOM 301 CG ARG A 20 -17.146 11.684 -8.228 1.00 0.00 C ATOM 302 CD ARG A 20 -17.610 10.810 -9.394 1.00 0.00 C ATOM 303 NE ARG A 20 -17.726 9.420 -8.941 1.00 0.00 N ATOM 304 CZ ARG A 20 -17.806 8.331 -9.711 1.00 0.00 C ATOM 305 NH1 ARG A 20 -17.795 8.416 -11.045 1.00 0.00 N ATOM 306 NH2 ARG A 20 -17.899 7.146 -9.111 1.00 0.00 N ATOM 0 H ARG A 20 -16.064 12.022 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.154 13.837 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.242 10.809 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.200 11.879 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.924 12.689 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.221 11.283 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.570 11.164 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.901 10.878 -10.219 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.748 9.269 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.724 9.327 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.857 7.569 -11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.908 7.089 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.962 6.295 -9.670 1.00 0.00 H new ATOM 320 N GLU A 21 -18.600 11.867 -4.057 1.00 0.00 N ATOM 321 CA GLU A 21 -19.335 11.752 -2.807 1.00 0.00 C ATOM 322 C GLU A 21 -18.380 11.387 -1.669 1.00 0.00 C ATOM 323 O GLU A 21 -17.969 10.233 -1.534 1.00 0.00 O ATOM 324 CB GLU A 21 -20.493 10.750 -2.913 1.00 0.00 C ATOM 325 CG GLU A 21 -21.456 11.009 -4.079 1.00 0.00 C ATOM 326 CD GLU A 21 -22.622 10.021 -4.094 1.00 0.00 C ATOM 327 OE1 GLU A 21 -22.573 9.046 -3.309 1.00 0.00 O ATOM 328 OE2 GLU A 21 -23.556 10.263 -4.888 1.00 0.00 O ATOM 0 H GLU A 21 -17.887 11.149 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.783 12.721 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.080 9.747 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.058 10.768 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.844 12.025 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.911 10.940 -5.020 1.00 0.00 H new ATOM 335 N GLY A 22 -18.083 12.382 -0.833 1.00 0.00 N ATOM 336 CA GLY A 22 -17.278 12.263 0.366 1.00 0.00 C ATOM 337 C GLY A 22 -16.443 13.530 0.505 1.00 0.00 C ATOM 338 O GLY A 22 -16.866 14.483 1.153 1.00 0.00 O ATOM 0 H GLY A 22 -18.416 13.334 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.915 12.130 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.632 11.387 0.305 1.00 0.00 H new ATOM 342 N ASP A 23 -15.283 13.552 -0.147 1.00 0.00 N ATOM 343 CA ASP A 23 -14.331 14.658 -0.200 1.00 0.00 C ATOM 344 C ASP A 23 -13.167 14.129 -1.029 1.00 0.00 C ATOM 345 O ASP A 23 -13.049 12.920 -1.167 1.00 0.00 O ATOM 346 CB ASP A 23 -13.856 15.052 1.212 1.00 0.00 C ATOM 347 CG ASP A 23 -12.630 15.958 1.169 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.802 17.132 0.778 1.00 0.00 O ATOM 349 OD2 ASP A 23 -11.525 15.441 1.446 1.00 0.00 O ATOM 0 H ASP A 23 -14.963 12.747 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.775 15.555 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.664 15.560 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.622 14.152 1.780 1.00 0.00 H new ATOM 354 N LYS A 24 -12.273 14.983 -1.531 1.00 0.00 N ATOM 355 CA LYS A 24 -11.080 14.530 -2.243 1.00 0.00 C ATOM 356 C LYS A 24 -10.365 13.365 -1.530 1.00 0.00 C ATOM 357 O LYS A 24 -9.846 12.468 -2.190 1.00 0.00 O ATOM 358 CB LYS A 24 -10.113 15.703 -2.459 1.00 0.00 C ATOM 359 CG LYS A 24 -10.731 16.973 -3.067 1.00 0.00 C ATOM 360 CD LYS A 24 -11.544 16.774 -4.359 1.00 0.00 C ATOM 361 CE LYS A 24 -10.714 16.326 -5.570 1.00 0.00 C ATOM 362 NZ LYS A 24 -10.456 14.876 -5.589 1.00 0.00 N ATOM 0 H LYS A 24 -12.355 15.997 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.411 14.150 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.665 15.962 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.304 15.368 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.379 17.432 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.929 17.682 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.322 16.033 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.047 17.709 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.235 16.608 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.763 16.858 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.237 14.575 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.650 14.659 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.299 14.369 -5.251 1.00 0.00 H new ATOM 376 N HIS A 25 -10.364 13.370 -0.191 1.00 0.00 N ATOM 377 CA HIS A 25 -9.690 12.379 0.641 1.00 0.00 C ATOM 378 C HIS A 25 -10.598 11.216 1.087 1.00 0.00 C ATOM 379 O HIS A 25 -10.080 10.286 1.707 1.00 0.00 O ATOM 380 CB HIS A 25 -9.138 13.078 1.890 1.00 0.00 C ATOM 381 CG HIS A 25 -8.278 14.284 1.602 1.00 0.00 C ATOM 382 ND1 HIS A 25 -8.731 15.572 1.428 1.00 0.00 N ATOM 383 CD2 HIS A 25 -6.910 14.315 1.555 1.00 0.00 C ATOM 384 CE1 HIS A 25 -7.654 16.361 1.270 1.00 0.00 C ATOM 385 NE2 HIS A 25 -6.522 15.642 1.346 1.00 0.00 N ATOM 0 H HIS A 25 -10.847 14.085 0.353 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.899 11.944 0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.974 13.385 2.519 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.554 12.360 2.465 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -9.706 15.873 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -6.249 13.467 1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.694 17.428 1.105 1.00 0.00 H new ATOM 393 N LYS A 26 -11.917 11.256 0.825 1.00 0.00 N ATOM 394 CA LYS A 26 -12.901 10.331 1.405 1.00 0.00 C ATOM 395 C LYS A 26 -13.836 9.675 0.372 1.00 0.00 C ATOM 396 O LYS A 26 -14.377 10.370 -0.485 1.00 0.00 O ATOM 397 CB LYS A 26 -13.766 11.118 2.402 1.00 0.00 C ATOM 398 CG LYS A 26 -12.998 11.791 3.553 1.00 0.00 C ATOM 399 CD LYS A 26 -12.297 10.816 4.510 1.00 0.00 C ATOM 400 CE LYS A 26 -13.287 9.791 5.074 1.00 0.00 C ATOM 401 NZ LYS A 26 -12.704 8.970 6.145 1.00 0.00 N ATOM 0 H LYS A 26 -12.333 11.942 0.195 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.337 9.525 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.314 11.886 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.506 10.441 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.252 12.464 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.693 12.405 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.494 10.300 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.838 11.371 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.164 10.312 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.629 9.141 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.434 8.341 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.925 8.399 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.340 9.589 6.898 1.00 0.00 H new ATOM 415 N LEU A 27 -14.096 8.364 0.505 1.00 0.00 N ATOM 416 CA LEU A 27 -15.027 7.587 -0.328 1.00 0.00 C ATOM 417 C LEU A 27 -16.249 7.130 0.476 1.00 0.00 C ATOM 418 O LEU A 27 -16.085 6.432 1.476 1.00 0.00 O ATOM 419 CB LEU A 27 -14.366 6.281 -0.812 1.00 0.00 C ATOM 420 CG LEU A 27 -13.290 6.391 -1.895 1.00 0.00 C ATOM 421 CD1 LEU A 27 -12.632 5.018 -2.062 1.00 0.00 C ATOM 422 CD2 LEU A 27 -13.877 6.774 -3.257 1.00 0.00 C ATOM 0 H LEU A 27 -13.646 7.795 1.223 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.307 8.242 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.923 5.788 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.152 5.625 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.585 7.162 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.861 5.075 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.181 4.713 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.385 4.287 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.076 6.840 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.595 6.016 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.378 7.739 -3.179 1.00 0.00 H new ATOM 434 N LYS A 28 -17.468 7.450 0.024 1.00 0.00 N ATOM 435 CA LYS A 28 -18.684 6.860 0.588 1.00 0.00 C ATOM 436 C LYS A 28 -18.797 5.384 0.195 1.00 0.00 C ATOM 437 O LYS A 28 -18.083 4.916 -0.690 1.00 0.00 O ATOM 438 CB LYS A 28 -19.910 7.590 0.035 1.00 0.00 C ATOM 439 CG LYS A 28 -20.013 9.020 0.559 1.00 0.00 C ATOM 440 CD LYS A 28 -21.094 9.224 1.633 1.00 0.00 C ATOM 441 CE LYS A 28 -22.529 8.908 1.184 1.00 0.00 C ATOM 442 NZ LYS A 28 -22.884 9.570 -0.083 1.00 0.00 N ATOM 0 H LYS A 28 -17.636 8.115 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.636 6.951 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.861 7.606 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.811 7.040 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.048 9.314 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -20.218 9.687 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -20.853 8.598 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -21.056 10.259 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -22.641 7.830 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -23.226 9.221 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -23.882 9.380 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -22.739 10.596 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -22.282 9.203 -0.847 1.00 0.00 H new ATOM 456 N LYS A 29 -19.751 4.664 0.801 1.00 0.00 N ATOM 457 CA LYS A 29 -20.078 3.294 0.409 1.00 0.00 C ATOM 458 C LYS A 29 -20.412 3.207 -1.080 1.00 0.00 C ATOM 459 O LYS A 29 -20.016 2.251 -1.737 1.00 0.00 O ATOM 460 CB LYS A 29 -21.192 2.700 1.292 1.00 0.00 C ATOM 461 CG LYS A 29 -22.476 3.541 1.350 1.00 0.00 C ATOM 462 CD LYS A 29 -23.571 2.772 2.099 1.00 0.00 C ATOM 463 CE LYS A 29 -24.857 3.603 2.156 1.00 0.00 C ATOM 464 NZ LYS A 29 -25.968 2.842 2.755 1.00 0.00 N ATOM 0 H LYS A 29 -20.314 5.017 1.574 1.00 0.00 H new ATOM 0 HA LYS A 29 -19.191 2.683 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -21.441 1.706 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.808 2.576 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -22.278 4.489 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -22.812 3.778 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -23.765 1.822 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -23.235 2.538 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -24.680 4.508 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.132 3.918 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -26.763 3.484 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -26.276 2.099 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.650 2.405 3.644 1.00 0.00 H new ATOM 478 N SER A 30 -21.117 4.202 -1.625 1.00 0.00 N ATOM 479 CA SER A 30 -21.476 4.249 -3.031 1.00 0.00 C ATOM 480 C SER A 30 -20.215 4.307 -3.896 1.00 0.00 C ATOM 481 O SER A 30 -20.036 3.502 -4.814 1.00 0.00 O ATOM 482 CB SER A 30 -22.324 5.509 -3.240 1.00 0.00 C ATOM 483 OG SER A 30 -21.782 6.561 -2.456 1.00 0.00 O ATOM 0 H SER A 30 -21.455 5.002 -1.091 1.00 0.00 H new ATOM 0 HA SER A 30 -22.034 3.358 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.331 5.789 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.358 5.319 -2.954 1.00 0.00 H new ATOM 0 HG SER A 30 -22.203 7.409 -2.710 1.00 0.00 H new ATOM 489 N GLU A 31 -19.327 5.258 -3.584 1.00 0.00 N ATOM 490 CA GLU A 31 -18.112 5.440 -4.361 1.00 0.00 C ATOM 491 C GLU A 31 -17.232 4.199 -4.246 1.00 0.00 C ATOM 492 O GLU A 31 -16.802 3.657 -5.260 1.00 0.00 O ATOM 493 CB GLU A 31 -17.379 6.720 -3.928 1.00 0.00 C ATOM 494 CG GLU A 31 -18.273 7.962 -4.051 1.00 0.00 C ATOM 495 CD GLU A 31 -18.822 8.162 -5.462 1.00 0.00 C ATOM 496 OE1 GLU A 31 -18.045 7.943 -6.419 1.00 0.00 O ATOM 497 OE2 GLU A 31 -20.016 8.514 -5.561 1.00 0.00 O ATOM 0 H GLU A 31 -19.432 5.906 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.369 5.565 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.044 6.615 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.487 6.853 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.105 7.875 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.703 8.844 -3.760 1.00 0.00 H new ATOM 504 N LEU A 32 -17.002 3.737 -3.012 1.00 0.00 N ATOM 505 CA LEU A 32 -16.207 2.554 -2.717 1.00 0.00 C ATOM 506 C LEU A 32 -16.762 1.351 -3.484 1.00 0.00 C ATOM 507 O LEU A 32 -16.013 0.650 -4.163 1.00 0.00 O ATOM 508 CB LEU A 32 -16.192 2.350 -1.192 1.00 0.00 C ATOM 509 CG LEU A 32 -15.325 1.202 -0.647 1.00 0.00 C ATOM 510 CD1 LEU A 32 -15.993 -0.172 -0.790 1.00 0.00 C ATOM 511 CD2 LEU A 32 -13.910 1.189 -1.233 1.00 0.00 C ATOM 0 H LEU A 32 -17.374 4.189 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.175 2.675 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.854 3.278 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.218 2.185 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.229 1.405 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.333 -0.941 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.934 -0.178 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.187 -0.375 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.348 0.356 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.966 1.076 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.408 2.126 -0.992 1.00 0.00 H new ATOM 523 N LYS A 33 -18.079 1.136 -3.425 1.00 0.00 N ATOM 524 CA LYS A 33 -18.727 0.053 -4.147 1.00 0.00 C ATOM 525 C LYS A 33 -18.385 0.157 -5.628 1.00 0.00 C ATOM 526 O LYS A 33 -17.788 -0.766 -6.188 1.00 0.00 O ATOM 527 CB LYS A 33 -20.247 0.118 -3.917 1.00 0.00 C ATOM 528 CG LYS A 33 -21.056 -0.783 -4.864 1.00 0.00 C ATOM 529 CD LYS A 33 -22.554 -0.740 -4.529 1.00 0.00 C ATOM 530 CE LYS A 33 -23.398 -1.420 -5.614 1.00 0.00 C ATOM 531 NZ LYS A 33 -22.924 -2.780 -5.929 1.00 0.00 N ATOM 0 H LYS A 33 -18.719 1.709 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.370 -0.909 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.462 -0.167 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.580 1.149 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -20.902 -0.463 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -20.694 -1.809 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -22.727 -1.232 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -22.872 0.296 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -24.436 -1.468 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -23.378 -0.813 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -23.619 -3.258 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -22.011 -2.723 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.807 -3.320 -5.048 1.00 0.00 H new ATOM 545 N GLU A 34 -18.774 1.259 -6.272 1.00 0.00 N ATOM 546 CA GLU A 34 -18.616 1.380 -7.713 1.00 0.00 C ATOM 547 C GLU A 34 -17.153 1.164 -8.088 1.00 0.00 C ATOM 548 O GLU A 34 -16.847 0.384 -8.984 1.00 0.00 O ATOM 549 CB GLU A 34 -19.125 2.749 -8.181 1.00 0.00 C ATOM 550 CG GLU A 34 -18.891 2.919 -9.688 1.00 0.00 C ATOM 551 CD GLU A 34 -19.458 4.231 -10.216 1.00 0.00 C ATOM 552 OE1 GLU A 34 -20.686 4.416 -10.084 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.647 5.031 -10.733 1.00 0.00 O ATOM 0 H GLU A 34 -19.196 2.070 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 34 -19.209 0.616 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -20.188 2.845 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -18.612 3.541 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.821 2.879 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -19.350 2.086 -10.221 1.00 0.00 H new ATOM 560 N LEU A 35 -16.264 1.852 -7.376 1.00 0.00 N ATOM 561 CA LEU A 35 -14.826 1.759 -7.531 1.00 0.00 C ATOM 562 C LEU A 35 -14.379 0.295 -7.540 1.00 0.00 C ATOM 563 O LEU A 35 -13.740 -0.137 -8.501 1.00 0.00 O ATOM 564 CB LEU A 35 -14.237 2.616 -6.402 1.00 0.00 C ATOM 565 CG LEU A 35 -12.719 2.657 -6.190 1.00 0.00 C ATOM 566 CD1 LEU A 35 -12.181 1.342 -5.609 1.00 0.00 C ATOM 567 CD2 LEU A 35 -11.974 3.092 -7.452 1.00 0.00 C ATOM 0 H LEU A 35 -16.542 2.512 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.465 2.140 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.571 3.641 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.687 2.278 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.524 3.424 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.102 1.418 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.653 1.150 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.406 0.523 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.902 3.107 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.185 2.390 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.303 4.090 -7.743 1.00 0.00 H new ATOM 579 N ILE A 36 -14.736 -0.492 -6.518 1.00 0.00 N ATOM 580 CA ILE A 36 -14.315 -1.890 -6.479 1.00 0.00 C ATOM 581 C ILE A 36 -14.924 -2.660 -7.656 1.00 0.00 C ATOM 582 O ILE A 36 -14.195 -3.320 -8.394 1.00 0.00 O ATOM 583 CB ILE A 36 -14.617 -2.547 -5.117 1.00 0.00 C ATOM 584 CG1 ILE A 36 -13.797 -1.866 -4.004 1.00 0.00 C ATOM 585 CG2 ILE A 36 -14.236 -4.034 -5.165 1.00 0.00 C ATOM 586 CD1 ILE A 36 -14.054 -2.465 -2.617 1.00 0.00 C ATOM 0 H ILE A 36 -15.303 -0.190 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.231 -1.925 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.681 -2.438 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.736 -1.950 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.035 -0.803 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.450 -4.496 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.814 -4.533 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.173 -4.130 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.447 -1.943 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.109 -2.357 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.789 -3.522 -2.622 1.00 0.00 H new ATOM 598 N ASN A 37 -16.247 -2.585 -7.839 1.00 0.00 N ATOM 599 CA ASN A 37 -16.938 -3.326 -8.899 1.00 0.00 C ATOM 600 C ASN A 37 -16.288 -3.063 -10.256 1.00 0.00 C ATOM 601 O ASN A 37 -16.059 -3.982 -11.038 1.00 0.00 O ATOM 602 CB ASN A 37 -18.420 -2.932 -8.992 1.00 0.00 C ATOM 603 CG ASN A 37 -19.285 -3.573 -7.915 1.00 0.00 C ATOM 604 OD1 ASN A 37 -20.004 -4.534 -8.159 1.00 0.00 O ATOM 605 ND2 ASN A 37 -19.256 -3.037 -6.707 1.00 0.00 N ATOM 0 H ASN A 37 -16.864 -2.014 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 37 -16.861 -4.383 -8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.505 -1.848 -8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -18.803 -3.216 -9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -19.837 -3.424 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.652 -2.237 -6.518 1.00 0.00 H new ATOM 612 N ASN A 38 -16.034 -1.788 -10.539 1.00 0.00 N ATOM 613 CA ASN A 38 -15.571 -1.294 -11.825 1.00 0.00 C ATOM 614 C ASN A 38 -14.085 -1.586 -12.042 1.00 0.00 C ATOM 615 O ASN A 38 -13.662 -1.828 -13.173 1.00 0.00 O ATOM 616 CB ASN A 38 -15.850 0.214 -11.866 1.00 0.00 C ATOM 617 CG ASN A 38 -15.544 0.865 -13.209 1.00 0.00 C ATOM 618 OD1 ASN A 38 -15.586 0.231 -14.256 1.00 0.00 O ATOM 619 ND2 ASN A 38 -15.270 2.165 -13.192 1.00 0.00 N ATOM 0 H ASN A 38 -16.151 -1.045 -9.850 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.101 -1.803 -12.631 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.898 0.386 -11.621 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.258 0.704 -11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.088 2.659 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.241 2.669 -12.305 1.00 0.00 H new ATOM 626 N GLU A 39 -13.274 -1.518 -10.975 1.00 0.00 N ATOM 627 CA GLU A 39 -11.825 -1.558 -11.118 1.00 0.00 C ATOM 628 C GLU A 39 -11.111 -2.745 -10.471 1.00 0.00 C ATOM 629 O GLU A 39 -9.896 -2.853 -10.637 1.00 0.00 O ATOM 630 CB GLU A 39 -11.218 -0.211 -10.727 1.00 0.00 C ATOM 631 CG GLU A 39 -11.896 0.915 -11.526 1.00 0.00 C ATOM 632 CD GLU A 39 -11.065 2.188 -11.584 1.00 0.00 C ATOM 633 OE1 GLU A 39 -9.834 2.061 -11.771 1.00 0.00 O ATOM 634 OE2 GLU A 39 -11.688 3.266 -11.472 1.00 0.00 O ATOM 0 H GLU A 39 -13.602 -1.436 -10.013 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.647 -1.739 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.347 -0.040 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.146 -0.214 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.089 0.567 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.863 1.140 -11.077 1.00 0.00 H new ATOM 641 N LEU A 40 -11.831 -3.638 -9.789 1.00 0.00 N ATOM 642 CA LEU A 40 -11.278 -4.862 -9.209 1.00 0.00 C ATOM 643 C LEU A 40 -11.960 -6.109 -9.798 1.00 0.00 C ATOM 644 O LEU A 40 -11.793 -7.213 -9.278 1.00 0.00 O ATOM 645 CB LEU A 40 -11.451 -4.785 -7.682 1.00 0.00 C ATOM 646 CG LEU A 40 -10.300 -5.408 -6.881 1.00 0.00 C ATOM 647 CD1 LEU A 40 -9.018 -4.568 -6.938 1.00 0.00 C ATOM 648 CD2 LEU A 40 -10.732 -5.493 -5.418 1.00 0.00 C ATOM 0 H LEU A 40 -12.831 -3.528 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.219 -4.948 -9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.554 -3.739 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.380 -5.285 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.086 -6.385 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.237 -5.056 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.691 -4.473 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.213 -3.578 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.929 -5.933 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.951 -4.493 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.624 -6.114 -5.338 1.00 0.00 H new ATOM 660 N SER A 41 -12.712 -5.937 -10.891 1.00 0.00 N ATOM 661 CA SER A 41 -13.611 -6.908 -11.502 1.00 0.00 C ATOM 662 C SER A 41 -12.995 -8.295 -11.707 1.00 0.00 C ATOM 663 O SER A 41 -13.647 -9.312 -11.494 1.00 0.00 O ATOM 664 CB SER A 41 -14.067 -6.325 -12.843 1.00 0.00 C ATOM 665 OG SER A 41 -14.129 -4.912 -12.748 1.00 0.00 O ATOM 0 H SER A 41 -12.704 -5.054 -11.402 1.00 0.00 H new ATOM 0 HA SER A 41 -14.445 -7.071 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.375 -6.617 -13.633 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.045 -6.725 -13.112 1.00 0.00 H new ATOM 0 HG SER A 41 -14.807 -4.658 -12.087 1.00 0.00 H new ATOM 671 N HIS A 42 -11.740 -8.335 -12.162 1.00 0.00 N ATOM 672 CA HIS A 42 -11.031 -9.583 -12.416 1.00 0.00 C ATOM 673 C HIS A 42 -10.932 -10.420 -11.135 1.00 0.00 C ATOM 674 O HIS A 42 -10.903 -11.647 -11.199 1.00 0.00 O ATOM 675 CB HIS A 42 -9.638 -9.261 -12.977 1.00 0.00 C ATOM 676 CG HIS A 42 -8.865 -10.437 -13.529 1.00 0.00 C ATOM 677 ND1 HIS A 42 -8.993 -11.758 -13.161 1.00 0.00 N ATOM 678 CD2 HIS A 42 -7.875 -10.371 -14.475 1.00 0.00 C ATOM 679 CE1 HIS A 42 -8.107 -12.469 -13.877 1.00 0.00 C ATOM 680 NE2 HIS A 42 -7.404 -11.670 -14.695 1.00 0.00 N ATOM 0 H HIS A 42 -11.190 -7.500 -12.364 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.582 -10.174 -13.148 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.748 -8.519 -13.768 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.046 -8.800 -12.187 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -9.644 -12.129 -12.469 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.521 -9.475 -14.964 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.978 -13.539 -13.805 1.00 0.00 H new ATOM 688 N PHE A 43 -10.813 -9.751 -9.987 1.00 0.00 N ATOM 689 CA PHE A 43 -10.616 -10.386 -8.696 1.00 0.00 C ATOM 690 C PHE A 43 -11.972 -10.588 -8.019 1.00 0.00 C ATOM 691 O PHE A 43 -12.296 -11.702 -7.619 1.00 0.00 O ATOM 692 CB PHE A 43 -9.704 -9.510 -7.824 1.00 0.00 C ATOM 693 CG PHE A 43 -8.207 -9.530 -8.097 1.00 0.00 C ATOM 694 CD1 PHE A 43 -7.673 -9.856 -9.361 1.00 0.00 C ATOM 695 CD2 PHE A 43 -7.333 -9.163 -7.055 1.00 0.00 C ATOM 696 CE1 PHE A 43 -6.286 -9.809 -9.577 1.00 0.00 C ATOM 697 CE2 PHE A 43 -5.944 -9.144 -7.262 1.00 0.00 C ATOM 698 CZ PHE A 43 -5.420 -9.463 -8.526 1.00 0.00 C ATOM 0 H PHE A 43 -10.853 -8.733 -9.935 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.140 -11.357 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.045 -8.479 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.856 -9.803 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.333 -10.143 -10.166 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.734 -8.894 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.884 -10.039 -10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.280 -8.885 -6.451 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.353 -9.442 -8.690 1.00 0.00 H new ATOM 708 N LEU A 44 -12.738 -9.507 -7.839 1.00 0.00 N ATOM 709 CA LEU A 44 -13.978 -9.532 -7.071 1.00 0.00 C ATOM 710 C LEU A 44 -15.192 -9.512 -7.994 1.00 0.00 C ATOM 711 O LEU A 44 -15.256 -8.720 -8.932 1.00 0.00 O ATOM 712 CB LEU A 44 -14.035 -8.361 -6.077 1.00 0.00 C ATOM 713 CG LEU A 44 -13.407 -8.738 -4.727 1.00 0.00 C ATOM 714 CD1 LEU A 44 -11.901 -8.991 -4.838 1.00 0.00 C ATOM 715 CD2 LEU A 44 -13.690 -7.650 -3.682 1.00 0.00 C ATOM 0 H LEU A 44 -12.511 -8.590 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.998 -10.461 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.512 -7.501 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.072 -8.061 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.869 -9.672 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.503 -9.254 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.720 -9.809 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.406 -8.090 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.238 -7.933 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.266 -6.704 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.767 -7.540 -3.554 1.00 0.00 H new ATOM 727 N GLU A 45 -16.167 -10.371 -7.685 1.00 0.00 N ATOM 728 CA GLU A 45 -17.451 -10.405 -8.371 1.00 0.00 C ATOM 729 C GLU A 45 -18.240 -9.125 -8.086 1.00 0.00 C ATOM 730 O GLU A 45 -17.895 -8.365 -7.185 1.00 0.00 O ATOM 731 CB GLU A 45 -18.254 -11.627 -7.907 1.00 0.00 C ATOM 732 CG GLU A 45 -17.526 -12.947 -8.189 1.00 0.00 C ATOM 733 CD GLU A 45 -18.407 -14.159 -7.897 1.00 0.00 C ATOM 734 OE1 GLU A 45 -19.460 -13.975 -7.247 1.00 0.00 O ATOM 735 OE2 GLU A 45 -17.999 -15.265 -8.312 1.00 0.00 O ATOM 0 H GLU A 45 -16.081 -11.067 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.275 -10.476 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.450 -11.545 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.221 -11.634 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.210 -12.971 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.623 -13.000 -7.581 1.00 0.00 H new ATOM 742 N GLU A 46 -19.331 -8.915 -8.828 1.00 0.00 N ATOM 743 CA GLU A 46 -20.209 -7.772 -8.636 1.00 0.00 C ATOM 744 C GLU A 46 -20.780 -7.773 -7.217 1.00 0.00 C ATOM 745 O GLU A 46 -21.488 -8.697 -6.814 1.00 0.00 O ATOM 746 CB GLU A 46 -21.328 -7.806 -9.688 1.00 0.00 C ATOM 747 CG GLU A 46 -22.302 -6.630 -9.536 1.00 0.00 C ATOM 748 CD GLU A 46 -23.444 -6.727 -10.541 1.00 0.00 C ATOM 749 OE1 GLU A 46 -24.386 -7.496 -10.251 1.00 0.00 O ATOM 750 OE2 GLU A 46 -23.350 -6.040 -11.581 1.00 0.00 O ATOM 0 H GLU A 46 -19.626 -9.539 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.642 -6.850 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.888 -7.785 -10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -21.877 -8.744 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.705 -6.617 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.767 -5.691 -9.678 1.00 0.00 H new ATOM 757 N ILE A 47 -20.505 -6.711 -6.466 1.00 0.00 N ATOM 758 CA ILE A 47 -20.792 -6.627 -5.044 1.00 0.00 C ATOM 759 C ILE A 47 -22.176 -6.005 -4.869 1.00 0.00 C ATOM 760 O ILE A 47 -22.353 -4.977 -4.216 1.00 0.00 O ATOM 761 CB ILE A 47 -19.653 -5.905 -4.295 1.00 0.00 C ATOM 762 CG1 ILE A 47 -18.297 -6.260 -4.932 1.00 0.00 C ATOM 763 CG2 ILE A 47 -19.673 -6.355 -2.825 1.00 0.00 C ATOM 764 CD1 ILE A 47 -17.098 -5.608 -4.267 1.00 0.00 C ATOM 0 H ILE A 47 -20.067 -5.869 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 47 -20.828 -7.616 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 47 -19.794 -4.826 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -18.169 -7.342 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -18.316 -5.969 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -18.873 -5.854 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -20.633 -6.097 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -19.527 -7.434 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.186 -5.914 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -17.198 -4.524 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -17.048 -5.918 -3.223 1.00 0.00 H new ATOM 776 N LYS A 48 -23.164 -6.653 -5.490 1.00 0.00 N ATOM 777 CA LYS A 48 -24.567 -6.257 -5.470 1.00 0.00 C ATOM 778 C LYS A 48 -25.091 -6.105 -4.037 1.00 0.00 C ATOM 779 O LYS A 48 -25.936 -5.256 -3.752 1.00 0.00 O ATOM 780 CB LYS A 48 -25.385 -7.273 -6.282 1.00 0.00 C ATOM 781 CG LYS A 48 -25.217 -8.720 -5.791 1.00 0.00 C ATOM 782 CD LYS A 48 -25.992 -9.686 -6.690 1.00 0.00 C ATOM 783 CE LYS A 48 -25.711 -11.129 -6.258 1.00 0.00 C ATOM 784 NZ LYS A 48 -26.456 -12.092 -7.088 1.00 0.00 N ATOM 0 H LYS A 48 -23.000 -7.497 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 48 -24.671 -5.275 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -26.439 -7.001 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -25.087 -7.215 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -24.160 -8.988 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -25.573 -8.805 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -27.060 -9.479 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -25.700 -9.544 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -24.643 -11.332 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -25.987 -11.258 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -26.245 -13.060 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.476 -11.913 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.173 -11.984 -8.083 1.00 0.00 H new ATOM 798 N GLU A 49 -24.581 -6.935 -3.126 1.00 0.00 N ATOM 799 CA GLU A 49 -24.950 -6.915 -1.726 1.00 0.00 C ATOM 800 C GLU A 49 -24.430 -5.630 -1.066 1.00 0.00 C ATOM 801 O GLU A 49 -23.352 -5.632 -0.474 1.00 0.00 O ATOM 802 CB GLU A 49 -24.388 -8.168 -1.034 1.00 0.00 C ATOM 803 CG GLU A 49 -24.782 -9.494 -1.706 1.00 0.00 C ATOM 804 CD GLU A 49 -26.291 -9.714 -1.770 1.00 0.00 C ATOM 805 OE1 GLU A 49 -26.956 -9.406 -0.759 1.00 0.00 O ATOM 806 OE2 GLU A 49 -26.748 -10.198 -2.828 1.00 0.00 O ATOM 0 H GLU A 49 -23.889 -7.649 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 49 -26.036 -6.924 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -23.301 -8.097 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -24.732 -8.182 0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -24.376 -9.516 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -24.324 -10.320 -1.161 1.00 0.00 H new ATOM 813 N GLN A 50 -25.207 -4.543 -1.124 1.00 0.00 N ATOM 814 CA GLN A 50 -24.876 -3.280 -0.460 1.00 0.00 C ATOM 815 C GLN A 50 -24.531 -3.500 1.023 1.00 0.00 C ATOM 816 O GLN A 50 -23.694 -2.794 1.587 1.00 0.00 O ATOM 817 CB GLN A 50 -26.006 -2.252 -0.668 1.00 0.00 C ATOM 818 CG GLN A 50 -25.556 -0.780 -0.548 1.00 0.00 C ATOM 819 CD GLN A 50 -25.905 -0.120 0.787 1.00 0.00 C ATOM 820 OE1 GLN A 50 -26.742 0.774 0.846 1.00 0.00 O ATOM 821 NE2 GLN A 50 -25.260 -0.516 1.879 1.00 0.00 N ATOM 0 H GLN A 50 -26.088 -4.516 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.978 -2.866 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -26.445 -2.406 -1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -26.792 -2.440 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -24.477 -0.730 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -26.013 -0.206 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.565 -1.261 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -25.459 -0.075 2.777 1.00 0.00 H new ATOM 830 N GLU A 51 -25.131 -4.511 1.655 1.00 0.00 N ATOM 831 CA GLU A 51 -24.787 -4.892 3.018 1.00 0.00 C ATOM 832 C GLU A 51 -23.289 -5.219 3.108 1.00 0.00 C ATOM 833 O GLU A 51 -22.600 -4.771 4.023 1.00 0.00 O ATOM 834 CB GLU A 51 -25.620 -6.113 3.434 1.00 0.00 C ATOM 835 CG GLU A 51 -27.131 -5.842 3.398 1.00 0.00 C ATOM 836 CD GLU A 51 -27.921 -7.087 3.795 1.00 0.00 C ATOM 837 OE1 GLU A 51 -27.820 -8.080 3.043 1.00 0.00 O ATOM 838 OE2 GLU A 51 -28.603 -7.024 4.842 1.00 0.00 O ATOM 0 H GLU A 51 -25.864 -5.083 1.236 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.005 -4.063 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.389 -6.947 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.334 -6.417 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.373 -5.022 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.423 -5.526 2.397 1.00 0.00 H new ATOM 845 N VAL A 52 -22.776 -5.989 2.146 1.00 0.00 N ATOM 846 CA VAL A 52 -21.377 -6.372 2.122 1.00 0.00 C ATOM 847 C VAL A 52 -20.500 -5.169 1.787 1.00 0.00 C ATOM 848 O VAL A 52 -19.462 -5.006 2.424 1.00 0.00 O ATOM 849 CB VAL A 52 -21.127 -7.573 1.196 1.00 0.00 C ATOM 850 CG1 VAL A 52 -19.650 -7.980 1.249 1.00 0.00 C ATOM 851 CG2 VAL A 52 -21.979 -8.775 1.631 1.00 0.00 C ATOM 0 H VAL A 52 -23.322 -6.359 1.368 1.00 0.00 H new ATOM 0 HA VAL A 52 -21.096 -6.708 3.120 1.00 0.00 H new ATOM 0 HB VAL A 52 -21.398 -7.279 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -19.483 -8.832 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -19.030 -7.144 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.385 -8.254 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -21.789 -9.616 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -21.719 -9.055 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -23.035 -8.508 1.586 1.00 0.00 H new ATOM 861 N VAL A 53 -20.883 -4.308 0.831 1.00 0.00 N ATOM 862 CA VAL A 53 -20.074 -3.124 0.552 1.00 0.00 C ATOM 863 C VAL A 53 -19.926 -2.286 1.826 1.00 0.00 C ATOM 864 O VAL A 53 -18.814 -1.920 2.209 1.00 0.00 O ATOM 865 CB VAL A 53 -20.552 -2.322 -0.674 1.00 0.00 C ATOM 866 CG1 VAL A 53 -21.043 -3.223 -1.807 1.00 0.00 C ATOM 867 CG2 VAL A 53 -21.537 -1.182 -0.393 1.00 0.00 C ATOM 0 H VAL A 53 -21.721 -4.408 0.258 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.079 -3.457 0.258 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.645 -1.814 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -21.368 -2.608 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -20.233 -3.877 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -21.879 -3.828 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.802 -0.691 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -22.437 -1.585 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.074 -0.458 0.278 1.00 0.00 H new ATOM 877 N ASP A 54 -21.051 -2.042 2.512 1.00 0.00 N ATOM 878 CA ASP A 54 -21.065 -1.371 3.801 1.00 0.00 C ATOM 879 C ASP A 54 -20.144 -2.092 4.791 1.00 0.00 C ATOM 880 O ASP A 54 -19.326 -1.451 5.443 1.00 0.00 O ATOM 881 CB ASP A 54 -22.496 -1.277 4.336 1.00 0.00 C ATOM 882 CG ASP A 54 -22.523 -0.536 5.668 1.00 0.00 C ATOM 883 OD1 ASP A 54 -22.571 0.712 5.617 1.00 0.00 O ATOM 884 OD2 ASP A 54 -22.491 -1.230 6.706 1.00 0.00 O ATOM 0 H ASP A 54 -21.977 -2.310 2.179 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.687 -0.356 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -23.127 -0.760 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.909 -2.278 4.462 1.00 0.00 H new ATOM 889 N LYS A 55 -20.252 -3.420 4.897 1.00 0.00 N ATOM 890 CA LYS A 55 -19.437 -4.182 5.834 1.00 0.00 C ATOM 891 C LYS A 55 -17.947 -4.017 5.537 1.00 0.00 C ATOM 892 O LYS A 55 -17.177 -3.737 6.456 1.00 0.00 O ATOM 893 CB LYS A 55 -19.860 -5.659 5.826 1.00 0.00 C ATOM 894 CG LYS A 55 -19.153 -6.505 6.899 1.00 0.00 C ATOM 895 CD LYS A 55 -17.862 -7.171 6.390 1.00 0.00 C ATOM 896 CE LYS A 55 -17.184 -8.006 7.484 1.00 0.00 C ATOM 897 NZ LYS A 55 -18.012 -9.151 7.906 1.00 0.00 N ATOM 0 H LYS A 55 -20.897 -3.985 4.344 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.604 -3.789 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -20.938 -5.721 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.651 -6.083 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.915 -5.872 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.837 -7.276 7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.094 -7.809 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.172 -6.405 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.224 -8.370 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.977 -7.372 8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.451 -9.779 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.840 -8.805 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.330 -9.678 7.067 1.00 0.00 H new ATOM 911 N VAL A 56 -17.510 -4.205 4.286 1.00 0.00 N ATOM 912 CA VAL A 56 -16.088 -4.121 3.978 1.00 0.00 C ATOM 913 C VAL A 56 -15.599 -2.689 4.197 1.00 0.00 C ATOM 914 O VAL A 56 -14.585 -2.476 4.857 1.00 0.00 O ATOM 915 CB VAL A 56 -15.704 -4.697 2.600 1.00 0.00 C ATOM 916 CG1 VAL A 56 -16.102 -6.175 2.479 1.00 0.00 C ATOM 917 CG2 VAL A 56 -16.265 -3.915 1.412 1.00 0.00 C ATOM 0 H VAL A 56 -18.111 -4.412 3.489 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.562 -4.774 4.674 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.619 -4.601 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -15.817 -6.549 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -15.592 -6.753 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.180 -6.273 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.947 -4.388 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.354 -3.909 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.894 -2.890 1.443 1.00 0.00 H new ATOM 927 N MET A 57 -16.318 -1.686 3.688 1.00 0.00 N ATOM 928 CA MET A 57 -15.857 -0.319 3.858 1.00 0.00 C ATOM 929 C MET A 57 -15.814 0.052 5.348 1.00 0.00 C ATOM 930 O MET A 57 -14.793 0.543 5.821 1.00 0.00 O ATOM 931 CB MET A 57 -16.596 0.624 2.903 1.00 0.00 C ATOM 932 CG MET A 57 -18.070 0.875 3.212 1.00 0.00 C ATOM 933 SD MET A 57 -18.470 2.333 4.195 1.00 0.00 S ATOM 934 CE MET A 57 -17.667 3.617 3.203 1.00 0.00 C ATOM 0 H MET A 57 -17.192 -1.793 3.173 1.00 0.00 H new ATOM 0 HA MET A 57 -14.818 -0.206 3.549 1.00 0.00 H new ATOM 0 HB2 MET A 57 -16.078 1.583 2.899 1.00 0.00 H new ATOM 0 HB3 MET A 57 -16.521 0.218 1.894 1.00 0.00 H new ATOM 0 HG2 MET A 57 -18.606 0.948 2.266 1.00 0.00 H new ATOM 0 HG3 MET A 57 -18.460 -0.000 3.732 1.00 0.00 H new ATOM 0 HE1 MET A 57 -18.220 4.551 3.300 1.00 0.00 H new ATOM 0 HE2 MET A 57 -16.645 3.762 3.554 1.00 0.00 H new ATOM 0 HE3 MET A 57 -17.652 3.312 2.157 1.00 0.00 H new ATOM 944 N GLU A 58 -16.845 -0.306 6.121 1.00 0.00 N ATOM 945 CA GLU A 58 -16.831 -0.176 7.575 1.00 0.00 C ATOM 946 C GLU A 58 -15.605 -0.872 8.184 1.00 0.00 C ATOM 947 O GLU A 58 -14.906 -0.289 9.009 1.00 0.00 O ATOM 948 CB GLU A 58 -18.139 -0.733 8.149 1.00 0.00 C ATOM 949 CG GLU A 58 -18.182 -0.619 9.677 1.00 0.00 C ATOM 950 CD GLU A 58 -19.562 -0.980 10.213 1.00 0.00 C ATOM 951 OE1 GLU A 58 -19.800 -2.194 10.390 1.00 0.00 O ATOM 952 OE2 GLU A 58 -20.354 -0.038 10.431 1.00 0.00 O ATOM 0 H GLU A 58 -17.713 -0.694 5.751 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.756 0.879 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.983 -0.194 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.248 -1.778 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -17.434 -1.279 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -17.926 0.397 9.977 1.00 0.00 H new ATOM 959 N THR A 59 -15.332 -2.107 7.760 1.00 0.00 N ATOM 960 CA THR A 59 -14.190 -2.893 8.215 1.00 0.00 C ATOM 961 C THR A 59 -12.880 -2.140 7.971 1.00 0.00 C ATOM 962 O THR A 59 -11.998 -2.157 8.827 1.00 0.00 O ATOM 963 CB THR A 59 -14.198 -4.271 7.523 1.00 0.00 C ATOM 964 OG1 THR A 59 -15.298 -5.025 7.990 1.00 0.00 O ATOM 965 CG2 THR A 59 -12.903 -5.078 7.675 1.00 0.00 C ATOM 0 H THR A 59 -15.911 -2.596 7.078 1.00 0.00 H new ATOM 0 HA THR A 59 -14.270 -3.053 9.290 1.00 0.00 H new ATOM 0 HB THR A 59 -14.285 -4.069 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 59 -16.117 -4.715 7.551 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.005 -6.031 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.073 -4.517 7.246 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.710 -5.260 8.732 1.00 0.00 H new ATOM 973 N LEU A 60 -12.732 -1.481 6.819 1.00 0.00 N ATOM 974 CA LEU A 60 -11.502 -0.758 6.515 1.00 0.00 C ATOM 975 C LEU A 60 -11.483 0.603 7.213 1.00 0.00 C ATOM 976 O LEU A 60 -10.406 1.131 7.471 1.00 0.00 O ATOM 977 CB LEU A 60 -11.316 -0.562 5.005 1.00 0.00 C ATOM 978 CG LEU A 60 -11.063 -1.810 4.135 1.00 0.00 C ATOM 979 CD1 LEU A 60 -11.254 -3.180 4.799 1.00 0.00 C ATOM 980 CD2 LEU A 60 -11.927 -1.708 2.874 1.00 0.00 C ATOM 0 H LEU A 60 -13.443 -1.435 6.090 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.677 -1.365 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.206 -0.063 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.480 0.122 4.858 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.995 -1.789 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.044 -3.968 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.572 -3.273 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.282 -3.274 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.760 -2.584 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.979 -1.659 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.658 -0.809 2.320 1.00 0.00 H new ATOM 992 N ASP A 61 -12.653 1.204 7.456 1.00 0.00 N ATOM 993 CA ASP A 61 -12.815 2.581 7.912 1.00 0.00 C ATOM 994 C ASP A 61 -12.262 2.832 9.326 1.00 0.00 C ATOM 995 O ASP A 61 -13.005 3.120 10.264 1.00 0.00 O ATOM 996 CB ASP A 61 -14.290 2.989 7.789 1.00 0.00 C ATOM 997 CG ASP A 61 -14.549 4.400 8.314 1.00 0.00 C ATOM 998 OD1 ASP A 61 -13.658 5.257 8.129 1.00 0.00 O ATOM 999 OD2 ASP A 61 -15.612 4.597 8.939 1.00 0.00 O ATOM 0 H ASP A 61 -13.544 0.723 7.335 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.211 3.215 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.594 2.931 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.908 2.280 8.340 1.00 0.00 H new ATOM 1004 N SER A 62 -10.936 2.841 9.459 1.00 0.00 N ATOM 1005 CA SER A 62 -10.241 3.211 10.683 1.00 0.00 C ATOM 1006 C SER A 62 -10.628 4.613 11.166 1.00 0.00 C ATOM 1007 O SER A 62 -10.503 4.910 12.350 1.00 0.00 O ATOM 1008 CB SER A 62 -8.730 3.131 10.459 1.00 0.00 C ATOM 1009 OG SER A 62 -8.371 1.842 9.994 1.00 0.00 O ATOM 0 H SER A 62 -10.305 2.585 8.700 1.00 0.00 H new ATOM 0 HA SER A 62 -10.539 2.508 11.460 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.422 3.885 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.205 3.349 11.389 1.00 0.00 H new ATOM 0 HG SER A 62 -8.147 1.889 9.041 1.00 0.00 H new ATOM 1015 N ASP A 63 -11.092 5.481 10.260 1.00 0.00 N ATOM 1016 CA ASP A 63 -11.489 6.840 10.605 1.00 0.00 C ATOM 1017 C ASP A 63 -12.812 6.854 11.374 1.00 0.00 C ATOM 1018 O ASP A 63 -13.153 7.881 11.955 1.00 0.00 O ATOM 1019 CB ASP A 63 -11.644 7.693 9.335 1.00 0.00 C ATOM 1020 CG ASP A 63 -10.483 7.538 8.362 1.00 0.00 C ATOM 1021 OD1 ASP A 63 -10.512 6.536 7.613 1.00 0.00 O ATOM 1022 OD2 ASP A 63 -9.599 8.421 8.375 1.00 0.00 O ATOM 0 H ASP A 63 -11.201 5.257 9.271 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.706 7.257 11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.571 7.418 8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.734 8.742 9.618 1.00 0.00 H new ATOM 1027 N GLY A 64 -13.575 5.752 11.361 1.00 0.00 N ATOM 1028 CA GLY A 64 -14.887 5.686 11.988 1.00 0.00 C ATOM 1029 C GLY A 64 -15.800 6.824 11.524 1.00 0.00 C ATOM 1030 O GLY A 64 -16.566 7.364 12.318 1.00 0.00 O ATOM 0 H GLY A 64 -13.291 4.882 10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.353 4.729 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.774 5.730 13.071 1.00 0.00 H new ATOM 1034 N ASP A 65 -15.722 7.180 10.237 1.00 0.00 N ATOM 1035 CA ASP A 65 -16.478 8.271 9.630 1.00 0.00 C ATOM 1036 C ASP A 65 -17.496 7.716 8.628 1.00 0.00 C ATOM 1037 O ASP A 65 -18.104 8.462 7.861 1.00 0.00 O ATOM 1038 CB ASP A 65 -15.481 9.219 8.949 1.00 0.00 C ATOM 1039 CG ASP A 65 -16.147 10.484 8.417 1.00 0.00 C ATOM 1040 OD1 ASP A 65 -16.692 11.236 9.254 1.00 0.00 O ATOM 1041 OD2 ASP A 65 -16.081 10.688 7.185 1.00 0.00 O ATOM 0 H ASP A 65 -15.113 6.701 9.574 1.00 0.00 H new ATOM 0 HA ASP A 65 -17.038 8.818 10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.702 9.494 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.992 8.697 8.127 1.00 0.00 H new ATOM 1046 N GLY A 66 -17.660 6.391 8.590 1.00 0.00 N ATOM 1047 CA GLY A 66 -18.414 5.713 7.559 1.00 0.00 C ATOM 1048 C GLY A 66 -17.568 5.703 6.293 1.00 0.00 C ATOM 1049 O GLY A 66 -17.047 4.666 5.895 1.00 0.00 O ATOM 0 H GLY A 66 -17.264 5.761 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.652 4.695 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -19.361 6.222 7.381 1.00 0.00 H new ATOM 1053 N GLU A 67 -17.410 6.880 5.693 1.00 0.00 N ATOM 1054 CA GLU A 67 -16.593 7.103 4.522 1.00 0.00 C ATOM 1055 C GLU A 67 -15.155 6.632 4.773 1.00 0.00 C ATOM 1056 O GLU A 67 -14.588 6.914 5.828 1.00 0.00 O ATOM 1057 CB GLU A 67 -16.624 8.591 4.160 1.00 0.00 C ATOM 1058 CG GLU A 67 -18.044 9.174 4.082 1.00 0.00 C ATOM 1059 CD GLU A 67 -18.065 10.637 3.648 1.00 0.00 C ATOM 1060 OE1 GLU A 67 -16.967 11.193 3.424 1.00 0.00 O ATOM 1061 OE2 GLU A 67 -19.188 11.173 3.540 1.00 0.00 O ATOM 0 H GLU A 67 -17.867 7.729 6.027 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.991 6.526 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.051 9.149 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.128 8.734 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.635 8.584 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.522 9.083 5.057 1.00 0.00 H new ATOM 1068 N CYS A 68 -14.561 5.938 3.800 1.00 0.00 N ATOM 1069 CA CYS A 68 -13.198 5.418 3.888 1.00 0.00 C ATOM 1070 C CYS A 68 -12.211 6.505 3.474 1.00 0.00 C ATOM 1071 O CYS A 68 -12.456 7.198 2.489 1.00 0.00 O ATOM 1072 CB CYS A 68 -13.031 4.204 2.963 1.00 0.00 C ATOM 1073 SG CYS A 68 -13.658 2.724 3.783 1.00 0.00 S ATOM 0 H CYS A 68 -15.021 5.719 2.917 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.003 5.112 4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.568 4.369 2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.980 4.072 2.707 1.00 0.00 H new ATOM 0 HG CYS A 68 -13.517 1.699 2.996 1.00 0.00 H new ATOM 1079 N ASP A 69 -11.092 6.643 4.195 1.00 0.00 N ATOM 1080 CA ASP A 69 -10.016 7.554 3.818 1.00 0.00 C ATOM 1081 C ASP A 69 -9.055 6.851 2.857 1.00 0.00 C ATOM 1082 O ASP A 69 -8.995 5.619 2.824 1.00 0.00 O ATOM 1083 CB ASP A 69 -9.280 8.062 5.068 1.00 0.00 C ATOM 1084 CG ASP A 69 -8.170 9.051 4.731 1.00 0.00 C ATOM 1085 OD1 ASP A 69 -8.485 10.256 4.641 1.00 0.00 O ATOM 1086 OD2 ASP A 69 -7.030 8.573 4.541 1.00 0.00 O ATOM 0 H ASP A 69 -10.911 6.125 5.055 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.441 8.419 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.995 8.538 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.856 7.214 5.605 1.00 0.00 H new ATOM 1091 N PHE A 70 -8.263 7.635 2.118 1.00 0.00 N ATOM 1092 CA PHE A 70 -7.235 7.114 1.229 1.00 0.00 C ATOM 1093 C PHE A 70 -6.347 6.072 1.915 1.00 0.00 C ATOM 1094 O PHE A 70 -6.037 5.050 1.315 1.00 0.00 O ATOM 1095 CB PHE A 70 -6.389 8.250 0.639 1.00 0.00 C ATOM 1096 CG PHE A 70 -5.374 7.772 -0.387 1.00 0.00 C ATOM 1097 CD1 PHE A 70 -5.826 7.111 -1.542 1.00 0.00 C ATOM 1098 CD2 PHE A 70 -3.995 7.984 -0.210 1.00 0.00 C ATOM 1099 CE1 PHE A 70 -4.935 6.775 -2.571 1.00 0.00 C ATOM 1100 CE2 PHE A 70 -3.093 7.619 -1.227 1.00 0.00 C ATOM 1101 CZ PHE A 70 -3.566 7.035 -2.418 1.00 0.00 C ATOM 0 H PHE A 70 -8.322 8.653 2.124 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.750 6.608 0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.049 8.982 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.866 8.762 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.872 6.859 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.629 8.426 0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.302 6.318 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.035 7.787 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.876 6.788 -3.211 1.00 0.00 H new ATOM 1111 N GLN A 71 -5.962 6.292 3.176 1.00 0.00 N ATOM 1112 CA GLN A 71 -5.196 5.302 3.928 1.00 0.00 C ATOM 1113 C GLN A 71 -5.910 3.944 3.974 1.00 0.00 C ATOM 1114 O GLN A 71 -5.285 2.900 3.806 1.00 0.00 O ATOM 1115 CB GLN A 71 -4.910 5.815 5.347 1.00 0.00 C ATOM 1116 CG GLN A 71 -4.117 7.130 5.408 1.00 0.00 C ATOM 1117 CD GLN A 71 -2.762 7.046 4.721 1.00 0.00 C ATOM 1118 OE1 GLN A 71 -1.733 6.923 5.376 1.00 0.00 O ATOM 1119 NE2 GLN A 71 -2.749 7.133 3.395 1.00 0.00 N ATOM 0 H GLN A 71 -6.169 7.146 3.694 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.249 5.152 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.858 5.954 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.358 5.049 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.704 7.922 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.971 7.411 6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.625 7.235 2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.863 7.098 2.890 1.00 0.00 H new ATOM 1128 N GLU A 72 -7.225 3.952 4.188 1.00 0.00 N ATOM 1129 CA GLU A 72 -8.019 2.737 4.287 1.00 0.00 C ATOM 1130 C GLU A 72 -8.108 2.063 2.916 1.00 0.00 C ATOM 1131 O GLU A 72 -7.955 0.849 2.791 1.00 0.00 O ATOM 1132 CB GLU A 72 -9.385 3.075 4.896 1.00 0.00 C ATOM 1133 CG GLU A 72 -9.281 3.977 6.140 1.00 0.00 C ATOM 1134 CD GLU A 72 -8.114 3.651 7.067 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -7.948 2.459 7.400 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -7.412 4.613 7.444 1.00 0.00 O ATOM 0 H GLU A 72 -7.768 4.808 4.298 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.546 2.015 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.999 3.571 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.896 2.150 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.190 5.013 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.209 3.901 6.706 1.00 0.00 H new ATOM 1143 N PHE A 73 -8.298 2.867 1.871 1.00 0.00 N ATOM 1144 CA PHE A 73 -8.190 2.394 0.497 1.00 0.00 C ATOM 1145 C PHE A 73 -6.829 1.713 0.258 1.00 0.00 C ATOM 1146 O PHE A 73 -6.785 0.571 -0.193 1.00 0.00 O ATOM 1147 CB PHE A 73 -8.485 3.564 -0.448 1.00 0.00 C ATOM 1148 CG PHE A 73 -8.120 3.360 -1.906 1.00 0.00 C ATOM 1149 CD1 PHE A 73 -6.821 3.674 -2.346 1.00 0.00 C ATOM 1150 CD2 PHE A 73 -9.115 3.041 -2.849 1.00 0.00 C ATOM 1151 CE1 PHE A 73 -6.513 3.652 -3.716 1.00 0.00 C ATOM 1152 CE2 PHE A 73 -8.823 3.105 -4.224 1.00 0.00 C ATOM 1153 CZ PHE A 73 -7.522 3.396 -4.659 1.00 0.00 C ATOM 0 H PHE A 73 -8.529 3.857 1.954 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.929 1.620 0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.550 3.790 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.953 4.442 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.058 3.933 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.100 2.748 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.500 3.832 -4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.605 2.929 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.297 3.423 -5.715 1.00 0.00 H new ATOM 1163 N MET A 74 -5.718 2.373 0.598 1.00 0.00 N ATOM 1164 CA MET A 74 -4.386 1.798 0.442 1.00 0.00 C ATOM 1165 C MET A 74 -4.244 0.502 1.244 1.00 0.00 C ATOM 1166 O MET A 74 -3.691 -0.478 0.751 1.00 0.00 O ATOM 1167 CB MET A 74 -3.293 2.815 0.807 1.00 0.00 C ATOM 1168 CG MET A 74 -3.143 3.946 -0.225 1.00 0.00 C ATOM 1169 SD MET A 74 -2.778 3.476 -1.943 1.00 0.00 S ATOM 1170 CE MET A 74 -1.225 2.565 -1.761 1.00 0.00 C ATOM 0 H MET A 74 -5.720 3.316 0.987 1.00 0.00 H new ATOM 0 HA MET A 74 -4.254 1.545 -0.610 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.521 3.249 1.780 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.341 2.294 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.066 4.526 -0.224 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.349 4.610 0.117 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.898 2.205 -2.736 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.464 3.224 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.377 1.717 -1.093 1.00 0.00 H new ATOM 1180 N ALA A 75 -4.756 0.478 2.473 1.00 0.00 N ATOM 1181 CA ALA A 75 -4.765 -0.730 3.290 1.00 0.00 C ATOM 1182 C ALA A 75 -5.520 -1.860 2.580 1.00 0.00 C ATOM 1183 O ALA A 75 -5.048 -2.997 2.535 1.00 0.00 O ATOM 1184 CB ALA A 75 -5.361 -0.435 4.669 1.00 0.00 C ATOM 0 H ALA A 75 -5.173 1.291 2.927 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.737 -1.063 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.361 -1.346 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.763 0.327 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.384 -0.076 4.554 1.00 0.00 H new ATOM 1190 N PHE A 76 -6.687 -1.545 2.007 1.00 0.00 N ATOM 1191 CA PHE A 76 -7.493 -2.509 1.268 1.00 0.00 C ATOM 1192 C PHE A 76 -6.685 -3.051 0.085 1.00 0.00 C ATOM 1193 O PHE A 76 -6.514 -4.260 -0.069 1.00 0.00 O ATOM 1194 CB PHE A 76 -8.817 -1.886 0.827 1.00 0.00 C ATOM 1195 CG PHE A 76 -9.685 -2.810 0.001 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -10.321 -3.933 0.576 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -9.818 -2.557 -1.376 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -11.088 -4.787 -0.238 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -10.588 -3.407 -2.179 1.00 0.00 C ATOM 1200 CZ PHE A 76 -11.200 -4.540 -1.619 1.00 0.00 C ATOM 0 H PHE A 76 -7.095 -0.611 2.046 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.744 -3.348 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.373 -1.575 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.609 -0.986 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.219 -4.134 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.324 -1.703 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.593 -5.636 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.711 -3.191 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.756 -5.221 -2.247 1.00 0.00 H new ATOM 1210 N VAL A 77 -6.126 -2.144 -0.719 1.00 0.00 N ATOM 1211 CA VAL A 77 -5.240 -2.493 -1.820 1.00 0.00 C ATOM 1212 C VAL A 77 -4.133 -3.430 -1.320 1.00 0.00 C ATOM 1213 O VAL A 77 -3.878 -4.461 -1.941 1.00 0.00 O ATOM 1214 CB VAL A 77 -4.688 -1.204 -2.458 1.00 0.00 C ATOM 1215 CG1 VAL A 77 -3.532 -1.482 -3.429 1.00 0.00 C ATOM 1216 CG2 VAL A 77 -5.796 -0.473 -3.231 1.00 0.00 C ATOM 0 H VAL A 77 -6.280 -1.141 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.786 -3.032 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.317 -0.589 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.178 -0.542 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.717 -1.969 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.879 -2.133 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.390 0.436 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.180 -1.122 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.605 -0.213 -2.548 1.00 0.00 H new ATOM 1226 N ALA A 78 -3.491 -3.097 -0.197 1.00 0.00 N ATOM 1227 CA ALA A 78 -2.425 -3.910 0.364 1.00 0.00 C ATOM 1228 C ALA A 78 -2.905 -5.329 0.681 1.00 0.00 C ATOM 1229 O ALA A 78 -2.284 -6.287 0.219 1.00 0.00 O ATOM 1230 CB ALA A 78 -1.806 -3.227 1.588 1.00 0.00 C ATOM 0 H ALA A 78 -3.700 -2.257 0.343 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.643 -4.005 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.011 -3.854 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.394 -2.261 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.572 -3.080 2.349 1.00 0.00 H new ATOM 1236 N MET A 79 -4.001 -5.487 1.437 1.00 0.00 N ATOM 1237 CA MET A 79 -4.494 -6.827 1.770 1.00 0.00 C ATOM 1238 C MET A 79 -4.832 -7.609 0.497 1.00 0.00 C ATOM 1239 O MET A 79 -4.431 -8.762 0.355 1.00 0.00 O ATOM 1240 CB MET A 79 -5.656 -6.815 2.787 1.00 0.00 C ATOM 1241 CG MET A 79 -6.856 -5.974 2.351 1.00 0.00 C ATOM 1242 SD MET A 79 -8.379 -6.022 3.330 1.00 0.00 S ATOM 1243 CE MET A 79 -7.833 -5.310 4.892 1.00 0.00 C ATOM 0 H MET A 79 -4.552 -4.720 1.822 1.00 0.00 H new ATOM 0 HA MET A 79 -3.684 -7.350 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.986 -7.840 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 79 -5.287 -6.436 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.528 -4.935 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.112 -6.271 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.670 -5.278 5.590 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.034 -5.922 5.311 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.464 -4.299 4.722 1.00 0.00 H new ATOM 1253 N ILE A 80 -5.547 -6.982 -0.441 1.00 0.00 N ATOM 1254 CA ILE A 80 -5.974 -7.640 -1.670 1.00 0.00 C ATOM 1255 C ILE A 80 -4.751 -8.098 -2.463 1.00 0.00 C ATOM 1256 O ILE A 80 -4.622 -9.274 -2.810 1.00 0.00 O ATOM 1257 CB ILE A 80 -6.859 -6.683 -2.490 1.00 0.00 C ATOM 1258 CG1 ILE A 80 -8.183 -6.363 -1.771 1.00 0.00 C ATOM 1259 CG2 ILE A 80 -7.126 -7.236 -3.896 1.00 0.00 C ATOM 1260 CD1 ILE A 80 -9.204 -7.502 -1.755 1.00 0.00 C ATOM 0 H ILE A 80 -5.843 -6.009 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.567 -8.523 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.305 -5.749 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.961 -6.081 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.637 -5.495 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.753 -6.537 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.180 -7.368 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.635 -8.197 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.101 -7.179 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.463 -7.773 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.776 -8.367 -1.248 1.00 0.00 H new ATOM 1272 N THR A 81 -3.847 -7.163 -2.755 1.00 0.00 N ATOM 1273 CA THR A 81 -2.671 -7.469 -3.549 1.00 0.00 C ATOM 1274 C THR A 81 -1.825 -8.517 -2.828 1.00 0.00 C ATOM 1275 O THR A 81 -1.323 -9.432 -3.469 1.00 0.00 O ATOM 1276 CB THR A 81 -1.869 -6.200 -3.867 1.00 0.00 C ATOM 1277 OG1 THR A 81 -2.725 -5.175 -4.319 1.00 0.00 O ATOM 1278 CG2 THR A 81 -0.862 -6.473 -4.986 1.00 0.00 C ATOM 0 H THR A 81 -3.912 -6.191 -2.452 1.00 0.00 H new ATOM 0 HA THR A 81 -2.985 -7.884 -4.507 1.00 0.00 H new ATOM 0 HB THR A 81 -1.358 -5.899 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.116 -4.712 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.301 -5.563 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.174 -7.259 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.393 -6.792 -5.883 1.00 0.00 H new ATOM 1286 N THR A 82 -1.682 -8.418 -1.501 1.00 0.00 N ATOM 1287 CA THR A 82 -0.978 -9.432 -0.726 1.00 0.00 C ATOM 1288 C THR A 82 -1.640 -10.802 -0.886 1.00 0.00 C ATOM 1289 O THR A 82 -0.945 -11.793 -1.102 1.00 0.00 O ATOM 1290 CB THR A 82 -0.855 -9.018 0.746 1.00 0.00 C ATOM 1291 OG1 THR A 82 -0.121 -7.809 0.828 1.00 0.00 O ATOM 1292 CG2 THR A 82 -0.126 -10.090 1.564 1.00 0.00 C ATOM 0 H THR A 82 -2.047 -7.643 -0.946 1.00 0.00 H new ATOM 0 HA THR A 82 0.035 -9.517 -1.118 1.00 0.00 H new ATOM 0 HB THR A 82 -1.859 -8.891 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.714 -7.053 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.054 -9.768 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.680 -11.027 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.875 -10.238 1.160 1.00 0.00 H new ATOM 1300 N ALA A 83 -2.969 -10.881 -0.782 1.00 0.00 N ATOM 1301 CA ALA A 83 -3.654 -12.157 -0.919 1.00 0.00 C ATOM 1302 C ALA A 83 -3.382 -12.761 -2.299 1.00 0.00 C ATOM 1303 O ALA A 83 -2.999 -13.926 -2.413 1.00 0.00 O ATOM 1304 CB ALA A 83 -5.158 -11.956 -0.692 1.00 0.00 C ATOM 0 H ALA A 83 -3.581 -10.084 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.277 -12.854 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.672 -12.912 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.325 -11.560 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.547 -11.254 -1.430 1.00 0.00 H new ATOM 1310 N CYS A 84 -3.513 -11.945 -3.348 1.00 0.00 N ATOM 1311 CA CYS A 84 -3.234 -12.397 -4.707 1.00 0.00 C ATOM 1312 C CYS A 84 -1.772 -12.830 -4.847 1.00 0.00 C ATOM 1313 O CYS A 84 -1.490 -13.912 -5.357 1.00 0.00 O ATOM 1314 CB CYS A 84 -3.600 -11.308 -5.714 1.00 0.00 C ATOM 1315 SG CYS A 84 -3.099 -11.863 -7.362 1.00 0.00 S ATOM 0 H CYS A 84 -3.810 -10.972 -3.280 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.852 -13.269 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.672 -11.113 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.100 -10.373 -5.460 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.773 -11.211 -8.263 1.00 0.00 H new ATOM 1321 N HIS A 85 -0.847 -12.005 -4.355 1.00 0.00 N ATOM 1322 CA HIS A 85 0.582 -12.275 -4.340 1.00 0.00 C ATOM 1323 C HIS A 85 0.846 -13.640 -3.714 1.00 0.00 C ATOM 1324 O HIS A 85 1.311 -14.548 -4.394 1.00 0.00 O ATOM 1325 CB HIS A 85 1.312 -11.151 -3.589 1.00 0.00 C ATOM 1326 CG HIS A 85 2.783 -11.402 -3.396 1.00 0.00 C ATOM 1327 ND1 HIS A 85 3.755 -11.324 -4.364 1.00 0.00 N ATOM 1328 CD2 HIS A 85 3.378 -11.836 -2.242 1.00 0.00 C ATOM 1329 CE1 HIS A 85 4.909 -11.717 -3.802 1.00 0.00 C ATOM 1330 NE2 HIS A 85 4.731 -12.041 -2.512 1.00 0.00 N ATOM 0 H HIS A 85 -1.085 -11.102 -3.944 1.00 0.00 H new ATOM 0 HA HIS A 85 0.965 -12.300 -5.360 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.181 -10.217 -4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.845 -11.017 -2.613 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.624 -11.023 -5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.888 -11.992 -1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 85 5.856 -11.766 -4.320 1.00 0.00 H new ATOM 1338 N GLU A 86 0.546 -13.792 -2.423 1.00 0.00 N ATOM 1339 CA GLU A 86 0.850 -15.012 -1.690 1.00 0.00 C ATOM 1340 C GLU A 86 0.194 -16.235 -2.342 1.00 0.00 C ATOM 1341 O GLU A 86 0.822 -17.290 -2.411 1.00 0.00 O ATOM 1342 CB GLU A 86 0.472 -14.858 -0.213 1.00 0.00 C ATOM 1343 CG GLU A 86 1.373 -13.832 0.492 1.00 0.00 C ATOM 1344 CD GLU A 86 1.256 -13.910 2.012 1.00 0.00 C ATOM 1345 OE1 GLU A 86 1.613 -14.980 2.554 1.00 0.00 O ATOM 1346 OE2 GLU A 86 0.824 -12.902 2.610 1.00 0.00 O ATOM 0 H GLU A 86 0.088 -13.074 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 86 1.926 -15.184 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.569 -14.546 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.555 -15.822 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.410 -14.000 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.107 -12.829 0.160 1.00 0.00 H new ATOM 1353 N PHE A 87 -1.031 -16.090 -2.867 1.00 0.00 N ATOM 1354 CA PHE A 87 -1.645 -17.144 -3.673 1.00 0.00 C ATOM 1355 C PHE A 87 -0.708 -17.487 -4.837 1.00 0.00 C ATOM 1356 O PHE A 87 -0.279 -18.627 -4.994 1.00 0.00 O ATOM 1357 CB PHE A 87 -3.040 -16.685 -4.153 1.00 0.00 C ATOM 1358 CG PHE A 87 -3.958 -17.698 -4.831 1.00 0.00 C ATOM 1359 CD1 PHE A 87 -3.519 -18.477 -5.924 1.00 0.00 C ATOM 1360 CD2 PHE A 87 -5.336 -17.667 -4.531 1.00 0.00 C ATOM 1361 CE1 PHE A 87 -4.424 -19.284 -6.636 1.00 0.00 C ATOM 1362 CE2 PHE A 87 -6.248 -18.414 -5.296 1.00 0.00 C ATOM 1363 CZ PHE A 87 -5.790 -19.250 -6.325 1.00 0.00 C ATOM 0 H PHE A 87 -1.609 -15.258 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.791 -18.048 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.571 -16.286 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.894 -15.857 -4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.479 -18.453 -6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.692 -17.065 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.066 -19.931 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.306 -18.344 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.487 -19.865 -6.875 1.00 0.00 H new ATOM 1373 N PHE A 88 -0.417 -16.488 -5.672 1.00 0.00 N ATOM 1374 CA PHE A 88 0.272 -16.653 -6.942 1.00 0.00 C ATOM 1375 C PHE A 88 1.698 -17.177 -6.774 1.00 0.00 C ATOM 1376 O PHE A 88 2.137 -18.006 -7.567 1.00 0.00 O ATOM 1377 CB PHE A 88 0.264 -15.306 -7.675 1.00 0.00 C ATOM 1378 CG PHE A 88 0.877 -15.341 -9.062 1.00 0.00 C ATOM 1379 CD1 PHE A 88 0.200 -15.990 -10.109 1.00 0.00 C ATOM 1380 CD2 PHE A 88 2.135 -14.756 -9.300 1.00 0.00 C ATOM 1381 CE1 PHE A 88 0.774 -16.049 -11.392 1.00 0.00 C ATOM 1382 CE2 PHE A 88 2.704 -14.807 -10.585 1.00 0.00 C ATOM 1383 CZ PHE A 88 2.025 -15.457 -11.630 1.00 0.00 C ATOM 0 H PHE A 88 -0.663 -15.518 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.255 -17.406 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.765 -14.956 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.803 -14.575 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.763 -16.444 -9.928 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.664 -14.267 -8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.252 -16.550 -12.194 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.663 -14.346 -10.769 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.465 -15.501 -12.615 1.00 0.00 H new ATOM 1442 N SER B 1 -8.740 -2.707 -15.887 1.00 0.00 N ATOM 1443 CA SER B 1 -8.996 -1.450 -15.160 1.00 0.00 C ATOM 1444 C SER B 1 -7.775 -1.023 -14.340 1.00 0.00 C ATOM 1445 O SER B 1 -6.957 -1.862 -13.969 1.00 0.00 O ATOM 1446 CB SER B 1 -10.205 -1.608 -14.241 1.00 0.00 C ATOM 1447 OG SER B 1 -11.340 -2.062 -14.958 1.00 0.00 O ATOM 0 H1 SER B 1 -9.527 -3.368 -15.726 1.00 0.00 H new ATOM 0 H2 SER B 1 -8.657 -2.509 -16.905 1.00 0.00 H new ATOM 0 H3 SER B 1 -7.855 -3.132 -15.544 1.00 0.00 H new ATOM 0 HA SER B 1 -9.201 -0.674 -15.898 1.00 0.00 H new ATOM 0 HB2 SER B 1 -9.969 -2.313 -13.444 1.00 0.00 H new ATOM 0 HB3 SER B 1 -10.430 -0.654 -13.765 1.00 0.00 H new ATOM 0 HG SER B 1 -12.132 -2.013 -14.382 1.00 0.00 H new ATOM 1455 N GLU B 2 -7.664 0.276 -14.041 1.00 0.00 N ATOM 1456 CA GLU B 2 -6.475 0.848 -13.424 1.00 0.00 C ATOM 1457 C GLU B 2 -6.088 0.143 -12.122 1.00 0.00 C ATOM 1458 O GLU B 2 -4.939 -0.271 -11.984 1.00 0.00 O ATOM 1459 CB GLU B 2 -6.656 2.356 -13.204 1.00 0.00 C ATOM 1460 CG GLU B 2 -6.722 3.149 -14.516 1.00 0.00 C ATOM 1461 CD GLU B 2 -5.404 3.084 -15.286 1.00 0.00 C ATOM 1462 OE1 GLU B 2 -4.473 3.814 -14.885 1.00 0.00 O ATOM 1463 OE2 GLU B 2 -5.344 2.288 -16.248 1.00 0.00 O ATOM 0 H GLU B 2 -8.401 0.957 -14.223 1.00 0.00 H new ATOM 0 HA GLU B 2 -5.648 0.691 -14.116 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -7.570 2.528 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -5.830 2.731 -12.600 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.526 2.756 -15.138 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.966 4.189 -14.300 1.00 0.00 H new ATOM 1470 N LEU B 3 -7.015 0.009 -11.165 1.00 0.00 N ATOM 1471 CA LEU B 3 -6.665 -0.633 -9.900 1.00 0.00 C ATOM 1472 C LEU B 3 -6.170 -2.056 -10.151 1.00 0.00 C ATOM 1473 O LEU B 3 -5.056 -2.388 -9.762 1.00 0.00 O ATOM 1474 CB LEU B 3 -7.809 -0.630 -8.883 1.00 0.00 C ATOM 1475 CG LEU B 3 -8.405 0.745 -8.556 1.00 0.00 C ATOM 1476 CD1 LEU B 3 -9.319 0.555 -7.345 1.00 0.00 C ATOM 1477 CD2 LEU B 3 -7.353 1.805 -8.224 1.00 0.00 C ATOM 0 H LEU B 3 -7.982 0.326 -11.240 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.864 -0.040 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.606 -1.271 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -7.449 -1.079 -7.957 1.00 0.00 H new ATOM 0 HG LEU B 3 -8.935 1.108 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -9.768 1.511 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -10.106 -0.158 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -8.736 0.177 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.847 2.751 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -6.776 1.486 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -6.685 1.934 -9.076 1.00 0.00 H new ATOM 1489 N GLU B 4 -6.972 -2.886 -10.824 1.00 0.00 N ATOM 1490 CA GLU B 4 -6.576 -4.235 -11.222 1.00 0.00 C ATOM 1491 C GLU B 4 -5.166 -4.247 -11.829 1.00 0.00 C ATOM 1492 O GLU B 4 -4.327 -5.060 -11.443 1.00 0.00 O ATOM 1493 CB GLU B 4 -7.623 -4.792 -12.204 1.00 0.00 C ATOM 1494 CG GLU B 4 -7.711 -6.323 -12.233 1.00 0.00 C ATOM 1495 CD GLU B 4 -6.536 -7.021 -12.914 1.00 0.00 C ATOM 1496 OE1 GLU B 4 -5.966 -6.414 -13.847 1.00 0.00 O ATOM 1497 OE2 GLU B 4 -6.257 -8.168 -12.507 1.00 0.00 O ATOM 0 H GLU B 4 -7.919 -2.637 -11.109 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.538 -4.876 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.601 -4.389 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -7.390 -4.434 -13.207 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -7.787 -6.688 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.631 -6.610 -12.743 1.00 0.00 H new ATOM 1504 N LYS B 5 -4.907 -3.334 -12.768 1.00 0.00 N ATOM 1505 CA LYS B 5 -3.651 -3.262 -13.497 1.00 0.00 C ATOM 1506 C LYS B 5 -2.510 -2.981 -12.523 1.00 0.00 C ATOM 1507 O LYS B 5 -1.518 -3.704 -12.503 1.00 0.00 O ATOM 1508 CB LYS B 5 -3.750 -2.206 -14.609 1.00 0.00 C ATOM 1509 CG LYS B 5 -2.443 -1.980 -15.385 1.00 0.00 C ATOM 1510 CD LYS B 5 -1.908 -3.269 -16.029 1.00 0.00 C ATOM 1511 CE LYS B 5 -0.639 -3.010 -16.849 1.00 0.00 C ATOM 1512 NZ LYS B 5 -0.891 -2.133 -18.006 1.00 0.00 N ATOM 0 H LYS B 5 -5.578 -2.616 -13.043 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.441 -4.216 -13.980 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.528 -2.506 -15.311 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.066 -1.260 -14.169 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -2.610 -1.233 -16.161 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -1.689 -1.575 -14.710 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.695 -4.003 -15.252 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.675 -3.700 -16.672 1.00 0.00 H new ATOM 0 HE2 LYS B 5 0.118 -2.556 -16.210 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -0.234 -3.960 -17.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -0.060 -2.135 -18.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.719 -2.480 -18.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.072 -1.164 -17.674 1.00 0.00 H new ATOM 1526 N ALA B 6 -2.653 -1.934 -11.710 1.00 0.00 N ATOM 1527 CA ALA B 6 -1.697 -1.580 -10.672 1.00 0.00 C ATOM 1528 C ALA B 6 -1.410 -2.784 -9.767 1.00 0.00 C ATOM 1529 O ALA B 6 -0.256 -3.158 -9.547 1.00 0.00 O ATOM 1530 CB ALA B 6 -2.275 -0.405 -9.878 1.00 0.00 C ATOM 0 H ALA B 6 -3.451 -1.301 -11.759 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.746 -1.287 -11.116 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.577 -0.119 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.436 0.441 -10.546 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.224 -0.700 -9.431 1.00 0.00 H new ATOM 1536 N VAL B 7 -2.480 -3.393 -9.258 1.00 0.00 N ATOM 1537 CA VAL B 7 -2.449 -4.538 -8.365 1.00 0.00 C ATOM 1538 C VAL B 7 -1.603 -5.661 -8.981 1.00 0.00 C ATOM 1539 O VAL B 7 -0.623 -6.094 -8.373 1.00 0.00 O ATOM 1540 CB VAL B 7 -3.908 -4.931 -8.059 1.00 0.00 C ATOM 1541 CG1 VAL B 7 -4.079 -6.340 -7.494 1.00 0.00 C ATOM 1542 CG2 VAL B 7 -4.540 -3.929 -7.080 1.00 0.00 C ATOM 0 H VAL B 7 -3.429 -3.085 -9.469 1.00 0.00 H new ATOM 0 HA VAL B 7 -1.965 -4.308 -7.416 1.00 0.00 H new ATOM 0 HB VAL B 7 -4.413 -4.913 -9.025 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -5.136 -6.532 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL B 7 -3.698 -7.068 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL B 7 -3.525 -6.427 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -5.570 -4.221 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -3.972 -3.922 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -4.527 -2.932 -7.521 1.00 0.00 H new ATOM 1552 N VAL B 8 -1.930 -6.116 -10.197 1.00 0.00 N ATOM 1553 CA VAL B 8 -1.137 -7.178 -10.810 1.00 0.00 C ATOM 1554 C VAL B 8 0.280 -6.697 -11.135 1.00 0.00 C ATOM 1555 O VAL B 8 1.231 -7.452 -10.955 1.00 0.00 O ATOM 1556 CB VAL B 8 -1.836 -7.842 -12.010 1.00 0.00 C ATOM 1557 CG1 VAL B 8 -3.177 -8.451 -11.584 1.00 0.00 C ATOM 1558 CG2 VAL B 8 -2.031 -6.914 -13.212 1.00 0.00 C ATOM 0 H VAL B 8 -2.712 -5.777 -10.757 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.044 -7.970 -10.067 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.162 -8.630 -12.345 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.656 -8.916 -12.446 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -3.007 -9.204 -10.814 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -3.823 -7.667 -11.189 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.530 -7.458 -14.014 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -2.642 -6.061 -12.917 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.060 -6.562 -13.561 1.00 0.00 H new ATOM 1568 N ALA B 9 0.444 -5.451 -11.590 1.00 0.00 N ATOM 1569 CA ALA B 9 1.749 -4.898 -11.936 1.00 0.00 C ATOM 1570 C ALA B 9 2.717 -4.989 -10.757 1.00 0.00 C ATOM 1571 O ALA B 9 3.859 -5.410 -10.935 1.00 0.00 O ATOM 1572 CB ALA B 9 1.621 -3.453 -12.427 1.00 0.00 C ATOM 0 H ALA B 9 -0.329 -4.799 -11.728 1.00 0.00 H new ATOM 0 HA ALA B 9 2.157 -5.496 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA B 9 2.608 -3.065 -12.678 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.984 -3.424 -13.311 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.179 -2.840 -11.642 1.00 0.00 H new ATOM 1578 N LEU B 10 2.266 -4.619 -9.552 1.00 0.00 N ATOM 1579 CA LEU B 10 3.098 -4.723 -8.358 1.00 0.00 C ATOM 1580 C LEU B 10 3.610 -6.155 -8.188 1.00 0.00 C ATOM 1581 O LEU B 10 4.804 -6.358 -7.972 1.00 0.00 O ATOM 1582 CB LEU B 10 2.336 -4.273 -7.101 1.00 0.00 C ATOM 1583 CG LEU B 10 2.669 -2.828 -6.697 1.00 0.00 C ATOM 1584 CD1 LEU B 10 2.079 -1.804 -7.668 1.00 0.00 C ATOM 1585 CD2 LEU B 10 2.122 -2.554 -5.296 1.00 0.00 C ATOM 0 H LEU B 10 1.332 -4.247 -9.383 1.00 0.00 H new ATOM 0 HA LEU B 10 3.951 -4.056 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.264 -4.359 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.576 -4.942 -6.275 1.00 0.00 H new ATOM 0 HG LEU B 10 3.754 -2.725 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.342 -0.798 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU B 10 2.480 -1.976 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.994 -1.907 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.357 -1.530 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.041 -2.692 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.577 -3.244 -4.586 1.00 0.00 H new ATOM 1597 N ILE B 11 2.720 -7.146 -8.284 1.00 0.00 N ATOM 1598 CA ILE B 11 3.092 -8.551 -8.147 1.00 0.00 C ATOM 1599 C ILE B 11 4.091 -8.920 -9.249 1.00 0.00 C ATOM 1600 O ILE B 11 5.160 -9.468 -8.971 1.00 0.00 O ATOM 1601 CB ILE B 11 1.831 -9.441 -8.163 1.00 0.00 C ATOM 1602 CG1 ILE B 11 0.907 -9.030 -7.003 1.00 0.00 C ATOM 1603 CG2 ILE B 11 2.200 -10.931 -8.046 1.00 0.00 C ATOM 1604 CD1 ILE B 11 -0.410 -9.808 -6.964 1.00 0.00 C ATOM 0 H ILE B 11 1.726 -6.995 -8.458 1.00 0.00 H new ATOM 0 HA ILE B 11 3.581 -8.720 -7.188 1.00 0.00 H new ATOM 0 HB ILE B 11 1.315 -9.301 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.434 -9.177 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.688 -7.965 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.291 -11.533 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.837 -11.215 -8.884 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.734 -11.101 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.010 -9.465 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.958 -9.642 -7.891 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.201 -10.872 -6.852 1.00 0.00 H new ATOM 1616 N ASP B 12 3.744 -8.604 -10.500 1.00 0.00 N ATOM 1617 CA ASP B 12 4.548 -8.907 -11.673 1.00 0.00 C ATOM 1618 C ASP B 12 5.969 -8.377 -11.507 1.00 0.00 C ATOM 1619 O ASP B 12 6.928 -9.126 -11.682 1.00 0.00 O ATOM 1620 CB ASP B 12 3.904 -8.330 -12.936 1.00 0.00 C ATOM 1621 CG ASP B 12 4.773 -8.612 -14.158 1.00 0.00 C ATOM 1622 OD1 ASP B 12 4.631 -9.723 -14.710 1.00 0.00 O ATOM 1623 OD2 ASP B 12 5.580 -7.720 -14.498 1.00 0.00 O ATOM 0 H ASP B 12 2.875 -8.119 -10.723 1.00 0.00 H new ATOM 0 HA ASP B 12 4.597 -9.991 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.915 -8.765 -13.078 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.766 -7.255 -12.822 1.00 0.00 H new ATOM 1628 N VAL B 13 6.121 -7.102 -11.157 1.00 0.00 N ATOM 1629 CA VAL B 13 7.436 -6.537 -10.909 1.00 0.00 C ATOM 1630 C VAL B 13 8.070 -7.264 -9.728 1.00 0.00 C ATOM 1631 O VAL B 13 9.096 -7.924 -9.885 1.00 0.00 O ATOM 1632 CB VAL B 13 7.303 -5.019 -10.676 1.00 0.00 C ATOM 1633 CG1 VAL B 13 8.532 -4.403 -9.995 1.00 0.00 C ATOM 1634 CG2 VAL B 13 7.120 -4.341 -12.036 1.00 0.00 C ATOM 0 H VAL B 13 5.349 -6.446 -11.040 1.00 0.00 H new ATOM 0 HA VAL B 13 8.092 -6.673 -11.769 1.00 0.00 H new ATOM 0 HB VAL B 13 6.451 -4.863 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.375 -3.333 -9.860 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.683 -4.873 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.412 -4.565 -10.617 1.00 0.00 H new ATOM 0 HG21 VAL B 13 7.024 -3.264 -11.896 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.985 -4.549 -12.666 1.00 0.00 H new ATOM 0 HG23 VAL B 13 6.221 -4.726 -12.517 1.00 0.00 H new ATOM 1644 N PHE B 14 7.432 -7.184 -8.560 1.00 0.00 N ATOM 1645 CA PHE B 14 8.019 -7.637 -7.311 1.00 0.00 C ATOM 1646 C PHE B 14 8.579 -9.052 -7.439 1.00 0.00 C ATOM 1647 O PHE B 14 9.755 -9.280 -7.158 1.00 0.00 O ATOM 1648 CB PHE B 14 6.973 -7.543 -6.199 1.00 0.00 C ATOM 1649 CG PHE B 14 7.489 -7.953 -4.840 1.00 0.00 C ATOM 1650 CD1 PHE B 14 7.413 -9.298 -4.437 1.00 0.00 C ATOM 1651 CD2 PHE B 14 7.981 -6.983 -3.949 1.00 0.00 C ATOM 1652 CE1 PHE B 14 7.750 -9.658 -3.123 1.00 0.00 C ATOM 1653 CE2 PHE B 14 8.341 -7.350 -2.641 1.00 0.00 C ATOM 1654 CZ PHE B 14 8.222 -8.685 -2.225 1.00 0.00 C ATOM 0 H PHE B 14 6.492 -6.801 -8.459 1.00 0.00 H new ATOM 0 HA PHE B 14 8.860 -6.992 -7.058 1.00 0.00 H new ATOM 0 HB2 PHE B 14 6.606 -6.518 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.122 -8.173 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.095 -10.055 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE B 14 8.082 -5.957 -4.270 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.647 -10.684 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE B 14 8.710 -6.603 -1.954 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.492 -8.964 -1.217 1.00 0.00 H new ATOM 1664 N HIS B 15 7.758 -9.995 -7.916 1.00 0.00 N ATOM 1665 CA HIS B 15 8.161 -11.391 -7.930 1.00 0.00 C ATOM 1666 C HIS B 15 9.388 -11.644 -8.813 1.00 0.00 C ATOM 1667 O HIS B 15 10.120 -12.596 -8.558 1.00 0.00 O ATOM 1668 CB HIS B 15 6.988 -12.333 -8.228 1.00 0.00 C ATOM 1669 CG HIS B 15 6.680 -12.574 -9.683 1.00 0.00 C ATOM 1670 ND1 HIS B 15 6.602 -11.628 -10.676 1.00 0.00 N ATOM 1671 CD2 HIS B 15 6.423 -13.791 -10.256 1.00 0.00 C ATOM 1672 CE1 HIS B 15 6.308 -12.264 -11.824 1.00 0.00 C ATOM 1673 NE2 HIS B 15 6.184 -13.584 -11.618 1.00 0.00 N ATOM 0 H HIS B 15 6.827 -9.814 -8.290 1.00 0.00 H new ATOM 0 HA HIS B 15 8.483 -11.633 -6.917 1.00 0.00 H new ATOM 0 HB2 HIS B 15 7.193 -13.295 -7.758 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.095 -11.929 -7.751 1.00 0.00 H new ATOM 0 HD1 HIS B 15 6.742 -10.624 -10.563 1.00 0.00 H new ATOM 0 HD2 HIS B 15 6.408 -14.743 -9.746 1.00 0.00 H new ATOM 0 HE1 HIS B 15 6.188 -11.778 -12.781 1.00 0.00 H new ATOM 1681 N GLN B 16 9.646 -10.803 -9.824 1.00 0.00 N ATOM 1682 CA GLN B 16 10.850 -10.972 -10.628 1.00 0.00 C ATOM 1683 C GLN B 16 12.075 -10.687 -9.759 1.00 0.00 C ATOM 1684 O GLN B 16 12.975 -11.518 -9.675 1.00 0.00 O ATOM 1685 CB GLN B 16 10.813 -10.061 -11.864 1.00 0.00 C ATOM 1686 CG GLN B 16 9.774 -10.553 -12.877 1.00 0.00 C ATOM 1687 CD GLN B 16 9.589 -9.565 -14.025 1.00 0.00 C ATOM 1688 OE1 GLN B 16 10.358 -9.561 -14.980 1.00 0.00 O ATOM 1689 NE2 GLN B 16 8.563 -8.726 -13.943 1.00 0.00 N ATOM 0 H GLN B 16 9.051 -10.020 -10.095 1.00 0.00 H new ATOM 0 HA GLN B 16 10.906 -11.999 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN B 16 10.577 -9.041 -11.561 1.00 0.00 H new ATOM 0 HB3 GLN B 16 11.798 -10.035 -12.331 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.084 -11.519 -13.275 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.820 -10.707 -12.373 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.943 -8.757 -13.134 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.395 -8.051 -14.689 1.00 0.00 H new ATOM 1698 N TYR B 17 12.084 -9.544 -9.070 1.00 0.00 N ATOM 1699 CA TYR B 17 13.197 -9.153 -8.205 1.00 0.00 C ATOM 1700 C TYR B 17 13.324 -10.148 -7.037 1.00 0.00 C ATOM 1701 O TYR B 17 14.379 -10.747 -6.815 1.00 0.00 O ATOM 1702 CB TYR B 17 13.014 -7.694 -7.751 1.00 0.00 C ATOM 1703 CG TYR B 17 13.191 -6.658 -8.854 1.00 0.00 C ATOM 1704 CD1 TYR B 17 12.153 -6.431 -9.775 1.00 0.00 C ATOM 1705 CD2 TYR B 17 14.361 -5.876 -8.928 1.00 0.00 C ATOM 1706 CE1 TYR B 17 12.261 -5.418 -10.739 1.00 0.00 C ATOM 1707 CE2 TYR B 17 14.456 -4.841 -9.878 1.00 0.00 C ATOM 1708 CZ TYR B 17 13.389 -4.585 -10.754 1.00 0.00 C ATOM 1709 OH TYR B 17 13.407 -3.475 -11.542 1.00 0.00 O ATOM 0 H TYR B 17 11.322 -8.866 -9.096 1.00 0.00 H new ATOM 0 HA TYR B 17 14.139 -9.194 -8.751 1.00 0.00 H new ATOM 0 HB2 TYR B 17 12.018 -7.583 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.728 -7.483 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR B 17 11.264 -7.043 -9.740 1.00 0.00 H new ATOM 0 HD2 TYR B 17 15.184 -6.070 -8.257 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.477 -5.280 -11.469 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.353 -4.242 -9.933 1.00 0.00 H new ATOM 0 HH TYR B 17 12.502 -3.105 -11.606 1.00 0.00 H new ATOM 1719 N SER B 18 12.224 -10.377 -6.319 1.00 0.00 N ATOM 1720 CA SER B 18 12.150 -11.319 -5.209 1.00 0.00 C ATOM 1721 C SER B 18 12.466 -12.757 -5.613 1.00 0.00 C ATOM 1722 O SER B 18 12.886 -13.557 -4.774 1.00 0.00 O ATOM 1723 CB SER B 18 10.747 -11.251 -4.624 1.00 0.00 C ATOM 1724 OG SER B 18 10.510 -9.925 -4.223 1.00 0.00 O ATOM 0 H SER B 18 11.341 -9.900 -6.500 1.00 0.00 H new ATOM 0 HA SER B 18 12.907 -11.033 -4.478 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.010 -11.564 -5.364 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.654 -11.929 -3.775 1.00 0.00 H new ATOM 0 HG SER B 18 9.544 -9.763 -4.182 1.00 0.00 H new ATOM 1730 N GLY B 19 12.238 -13.112 -6.878 1.00 0.00 N ATOM 1731 CA GLY B 19 12.633 -14.400 -7.409 1.00 0.00 C ATOM 1732 C GLY B 19 14.148 -14.547 -7.337 1.00 0.00 C ATOM 1733 O GLY B 19 14.648 -15.638 -7.074 1.00 0.00 O ATOM 0 H GLY B 19 11.774 -12.509 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.154 -15.199 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY B 19 12.298 -14.496 -8.442 1.00 0.00 H new ATOM 1737 N ARG B 20 14.882 -13.452 -7.567 1.00 0.00 N ATOM 1738 CA ARG B 20 16.334 -13.489 -7.576 1.00 0.00 C ATOM 1739 C ARG B 20 16.862 -13.598 -6.148 1.00 0.00 C ATOM 1740 O ARG B 20 17.643 -14.501 -5.860 1.00 0.00 O ATOM 1741 CB ARG B 20 16.924 -12.269 -8.298 1.00 0.00 C ATOM 1742 CG ARG B 20 16.120 -11.872 -9.544 1.00 0.00 C ATOM 1743 CD ARG B 20 16.981 -11.142 -10.579 1.00 0.00 C ATOM 1744 NE ARG B 20 17.700 -10.024 -9.959 1.00 0.00 N ATOM 1745 CZ ARG B 20 18.221 -8.965 -10.590 1.00 0.00 C ATOM 1746 NH1 ARG B 20 18.121 -8.827 -11.917 1.00 0.00 N ATOM 1747 NH2 ARG B 20 18.843 -8.042 -9.856 1.00 0.00 N ATOM 0 H ARG B 20 14.485 -12.530 -7.749 1.00 0.00 H new ATOM 0 HA ARG B 20 16.652 -14.371 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG B 20 16.958 -11.425 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG B 20 17.952 -12.486 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG B 20 15.690 -12.765 -9.997 1.00 0.00 H new ATOM 0 HG3 ARG B 20 15.288 -11.232 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG B 20 17.693 -11.838 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG B 20 16.351 -10.772 -11.388 1.00 0.00 H new ATOM 0 HE ARG B 20 17.814 -10.057 -8.946 1.00 0.00 H new ATOM 0 HH11 ARG B 20 17.640 -9.537 -12.469 1.00 0.00 H new ATOM 0 HH12 ARG B 20 18.526 -8.011 -12.377 1.00 0.00 H new ATOM 0 HH21 ARG B 20 18.911 -8.155 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG B 20 19.251 -7.223 -10.306 1.00 0.00 H new ATOM 1761 N GLU B 21 16.444 -12.688 -5.256 1.00 0.00 N ATOM 1762 CA GLU B 21 16.855 -12.729 -3.855 1.00 0.00 C ATOM 1763 C GLU B 21 15.706 -12.314 -2.933 1.00 0.00 C ATOM 1764 O GLU B 21 15.419 -11.125 -2.777 1.00 0.00 O ATOM 1765 CB GLU B 21 18.092 -11.860 -3.600 1.00 0.00 C ATOM 1766 CG GLU B 21 19.287 -12.204 -4.498 1.00 0.00 C ATOM 1767 CD GLU B 21 20.528 -11.428 -4.077 1.00 0.00 C ATOM 1768 OE1 GLU B 21 20.570 -10.217 -4.384 1.00 0.00 O ATOM 1769 OE2 GLU B 21 21.394 -12.037 -3.413 1.00 0.00 O ATOM 0 H GLU B 21 15.820 -11.915 -5.486 1.00 0.00 H new ATOM 0 HA GLU B 21 17.123 -13.761 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU B 21 17.826 -10.814 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.391 -11.967 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU B 21 19.488 -13.274 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.045 -11.974 -5.536 1.00 0.00 H new ATOM 1776 N GLY B 22 15.113 -13.314 -2.276 1.00 0.00 N ATOM 1777 CA GLY B 22 14.052 -13.162 -1.289 1.00 0.00 C ATOM 1778 C GLY B 22 12.907 -14.156 -1.497 1.00 0.00 C ATOM 1779 O GLY B 22 11.778 -13.893 -1.082 1.00 0.00 O ATOM 0 H GLY B 22 15.373 -14.289 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY B 22 14.468 -13.296 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY B 22 13.659 -12.146 -1.337 1.00 0.00 H new ATOM 1783 N ASP B 23 13.197 -15.319 -2.097 1.00 0.00 N ATOM 1784 CA ASP B 23 12.294 -16.460 -2.209 1.00 0.00 C ATOM 1785 C ASP B 23 10.883 -16.049 -2.643 1.00 0.00 C ATOM 1786 O ASP B 23 9.896 -16.444 -2.020 1.00 0.00 O ATOM 1787 CB ASP B 23 12.299 -17.245 -0.887 1.00 0.00 C ATOM 1788 CG ASP B 23 11.496 -18.543 -0.971 1.00 0.00 C ATOM 1789 OD1 ASP B 23 11.700 -19.273 -1.965 1.00 0.00 O ATOM 1790 OD2 ASP B 23 10.698 -18.781 -0.039 1.00 0.00 O ATOM 0 H ASP B 23 14.103 -15.492 -2.532 1.00 0.00 H new ATOM 0 HA ASP B 23 12.656 -17.115 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP B 23 13.328 -17.476 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP B 23 11.888 -16.619 -0.095 1.00 0.00 H new ATOM 1795 N LYS B 24 10.786 -15.231 -3.697 1.00 0.00 N ATOM 1796 CA LYS B 24 9.533 -14.787 -4.312 1.00 0.00 C ATOM 1797 C LYS B 24 8.741 -13.786 -3.453 1.00 0.00 C ATOM 1798 O LYS B 24 8.128 -12.875 -4.003 1.00 0.00 O ATOM 1799 CB LYS B 24 8.644 -15.972 -4.735 1.00 0.00 C ATOM 1800 CG LYS B 24 9.402 -17.043 -5.536 1.00 0.00 C ATOM 1801 CD LYS B 24 8.480 -18.178 -6.005 1.00 0.00 C ATOM 1802 CE LYS B 24 7.613 -17.781 -7.206 1.00 0.00 C ATOM 1803 NZ LYS B 24 6.781 -18.911 -7.654 1.00 0.00 N ATOM 0 H LYS B 24 11.609 -14.847 -4.161 1.00 0.00 H new ATOM 0 HA LYS B 24 9.835 -14.249 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.213 -16.430 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS B 24 7.814 -15.599 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS B 24 9.874 -16.580 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS B 24 10.201 -17.457 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS B 24 9.085 -19.045 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS B 24 7.834 -18.480 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS B 24 6.975 -16.940 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.251 -17.447 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 6.204 -18.616 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 7.393 -19.704 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 6.157 -19.212 -6.878 1.00 0.00 H new ATOM 1817 N HIS B 25 8.740 -13.947 -2.127 1.00 0.00 N ATOM 1818 CA HIS B 25 7.884 -13.230 -1.190 1.00 0.00 C ATOM 1819 C HIS B 25 8.537 -11.985 -0.588 1.00 0.00 C ATOM 1820 O HIS B 25 7.824 -11.115 -0.082 1.00 0.00 O ATOM 1821 CB HIS B 25 7.480 -14.196 -0.071 1.00 0.00 C ATOM 1822 CG HIS B 25 6.712 -15.393 -0.569 1.00 0.00 C ATOM 1823 ND1 HIS B 25 7.250 -16.554 -1.079 1.00 0.00 N ATOM 1824 CD2 HIS B 25 5.350 -15.515 -0.602 1.00 0.00 C ATOM 1825 CE1 HIS B 25 6.226 -17.365 -1.393 1.00 0.00 C ATOM 1826 NE2 HIS B 25 5.050 -16.774 -1.125 1.00 0.00 N ATOM 0 H HIS B 25 9.362 -14.608 -1.662 1.00 0.00 H new ATOM 0 HA HIS B 25 7.017 -12.874 -1.746 1.00 0.00 H new ATOM 0 HB2 HIS B 25 8.376 -14.537 0.447 1.00 0.00 H new ATOM 0 HB3 HIS B 25 6.873 -13.662 0.660 1.00 0.00 H new ATOM 0 HD1 HIS B 25 8.242 -16.760 -1.196 1.00 0.00 H new ATOM 0 HD2 HIS B 25 4.636 -14.771 -0.281 1.00 0.00 H new ATOM 0 HE1 HIS B 25 6.334 -18.357 -1.805 1.00 0.00 H new ATOM 1834 N LYS B 26 9.873 -11.914 -0.591 1.00 0.00 N ATOM 1835 CA LYS B 26 10.640 -10.883 0.093 1.00 0.00 C ATOM 1836 C LYS B 26 11.621 -10.202 -0.864 1.00 0.00 C ATOM 1837 O LYS B 26 11.819 -10.668 -1.983 1.00 0.00 O ATOM 1838 CB LYS B 26 11.383 -11.498 1.293 1.00 0.00 C ATOM 1839 CG LYS B 26 10.465 -12.310 2.223 1.00 0.00 C ATOM 1840 CD LYS B 26 11.227 -12.935 3.399 1.00 0.00 C ATOM 1841 CE LYS B 26 12.080 -14.127 2.946 1.00 0.00 C ATOM 1842 NZ LYS B 26 12.797 -14.737 4.080 1.00 0.00 N ATOM 0 H LYS B 26 10.458 -12.590 -1.082 1.00 0.00 H new ATOM 0 HA LYS B 26 9.952 -10.119 0.457 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.181 -12.144 0.926 1.00 0.00 H new ATOM 0 HB3 LYS B 26 11.857 -10.701 1.866 1.00 0.00 H new ATOM 0 HG2 LYS B 26 9.677 -11.662 2.608 1.00 0.00 H new ATOM 0 HG3 LYS B 26 9.978 -13.098 1.650 1.00 0.00 H new ATOM 0 HD2 LYS B 26 11.867 -12.183 3.860 1.00 0.00 H new ATOM 0 HD3 LYS B 26 10.519 -13.261 4.161 1.00 0.00 H new ATOM 0 HE2 LYS B 26 11.442 -14.874 2.473 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.798 -13.798 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 13.391 -15.518 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 13.398 -14.021 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 12.109 -15.103 4.769 1.00 0.00 H new ATOM 1856 N LEU B 27 12.247 -9.104 -0.434 1.00 0.00 N ATOM 1857 CA LEU B 27 13.313 -8.430 -1.177 1.00 0.00 C ATOM 1858 C LEU B 27 14.495 -8.193 -0.248 1.00 0.00 C ATOM 1859 O LEU B 27 14.337 -7.489 0.751 1.00 0.00 O ATOM 1860 CB LEU B 27 12.850 -7.057 -1.689 1.00 0.00 C ATOM 1861 CG LEU B 27 11.844 -7.083 -2.846 1.00 0.00 C ATOM 1862 CD1 LEU B 27 11.344 -5.654 -3.074 1.00 0.00 C ATOM 1863 CD2 LEU B 27 12.474 -7.561 -4.158 1.00 0.00 C ATOM 0 H LEU B 27 12.024 -8.652 0.453 1.00 0.00 H new ATOM 0 HA LEU B 27 13.585 -9.063 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.405 -6.511 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.727 -6.494 -2.007 1.00 0.00 H new ATOM 0 HG LEU B 27 11.044 -7.772 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.626 -5.646 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.863 -5.288 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.187 -5.009 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.720 -7.561 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.288 -6.892 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.863 -8.571 -4.028 1.00 0.00 H new ATOM 1875 N LYS B 28 15.670 -8.746 -0.574 1.00 0.00 N ATOM 1876 CA LYS B 28 16.900 -8.390 0.126 1.00 0.00 C ATOM 1877 C LYS B 28 17.350 -6.989 -0.311 1.00 0.00 C ATOM 1878 O LYS B 28 16.914 -6.487 -1.347 1.00 0.00 O ATOM 1879 CB LYS B 28 17.976 -9.462 -0.107 1.00 0.00 C ATOM 1880 CG LYS B 28 19.182 -9.273 0.831 1.00 0.00 C ATOM 1881 CD LYS B 28 19.957 -10.569 1.097 1.00 0.00 C ATOM 1882 CE LYS B 28 20.452 -11.253 -0.179 1.00 0.00 C ATOM 1883 NZ LYS B 28 21.310 -10.372 -0.994 1.00 0.00 N ATOM 0 H LYS B 28 15.790 -9.437 -1.314 1.00 0.00 H new ATOM 0 HA LYS B 28 16.723 -8.356 1.201 1.00 0.00 H new ATOM 0 HB2 LYS B 28 17.545 -10.451 0.050 1.00 0.00 H new ATOM 0 HB3 LYS B 28 18.311 -9.422 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS B 28 19.858 -8.537 0.397 1.00 0.00 H new ATOM 0 HG3 LYS B 28 18.834 -8.865 1.780 1.00 0.00 H new ATOM 0 HD2 LYS B 28 20.811 -10.348 1.737 1.00 0.00 H new ATOM 0 HD3 LYS B 28 19.318 -11.260 1.646 1.00 0.00 H new ATOM 0 HE2 LYS B 28 21.008 -12.152 0.087 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.595 -11.572 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.701 -10.911 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.746 -9.577 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 22.088 -10.007 -0.408 1.00 0.00 H new ATOM 1897 N LYS B 29 18.232 -6.358 0.475 1.00 0.00 N ATOM 1898 CA LYS B 29 18.689 -4.989 0.260 1.00 0.00 C ATOM 1899 C LYS B 29 19.230 -4.763 -1.150 1.00 0.00 C ATOM 1900 O LYS B 29 19.026 -3.691 -1.708 1.00 0.00 O ATOM 1901 CB LYS B 29 19.678 -4.570 1.367 1.00 0.00 C ATOM 1902 CG LYS B 29 20.938 -5.440 1.519 1.00 0.00 C ATOM 1903 CD LYS B 29 22.118 -4.901 0.695 1.00 0.00 C ATOM 1904 CE LYS B 29 23.339 -5.822 0.786 1.00 0.00 C ATOM 1905 NZ LYS B 29 23.917 -5.842 2.142 1.00 0.00 N ATOM 0 H LYS B 29 18.653 -6.798 1.293 1.00 0.00 H new ATOM 0 HA LYS B 29 17.823 -4.331 0.334 1.00 0.00 H new ATOM 0 HB2 LYS B 29 19.992 -3.544 1.175 1.00 0.00 H new ATOM 0 HB3 LYS B 29 19.146 -4.568 2.318 1.00 0.00 H new ATOM 0 HG2 LYS B 29 21.222 -5.485 2.570 1.00 0.00 H new ATOM 0 HG3 LYS B 29 20.714 -6.460 1.205 1.00 0.00 H new ATOM 0 HD2 LYS B 29 21.817 -4.797 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS B 29 22.385 -3.906 1.050 1.00 0.00 H new ATOM 0 HE2 LYS B 29 23.052 -6.834 0.500 1.00 0.00 H new ATOM 0 HE3 LYS B 29 24.096 -5.492 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 24.779 -6.423 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 24.153 -4.872 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 23.227 -6.245 2.808 1.00 0.00 H new ATOM 1919 N SER B 30 19.886 -5.760 -1.742 1.00 0.00 N ATOM 1920 CA SER B 30 20.403 -5.673 -3.095 1.00 0.00 C ATOM 1921 C SER B 30 19.258 -5.457 -4.093 1.00 0.00 C ATOM 1922 O SER B 30 19.283 -4.525 -4.896 1.00 0.00 O ATOM 1923 CB SER B 30 21.126 -6.996 -3.379 1.00 0.00 C ATOM 1924 OG SER B 30 20.438 -8.059 -2.731 1.00 0.00 O ATOM 0 H SER B 30 20.072 -6.654 -1.288 1.00 0.00 H new ATOM 0 HA SER B 30 21.085 -4.829 -3.200 1.00 0.00 H new ATOM 0 HB2 SER B 30 21.168 -7.177 -4.453 1.00 0.00 H new ATOM 0 HB3 SER B 30 22.155 -6.944 -3.024 1.00 0.00 H new ATOM 0 HG SER B 30 20.350 -8.816 -3.347 1.00 0.00 H new ATOM 1930 N GLU B 31 18.236 -6.313 -4.015 1.00 0.00 N ATOM 1931 CA GLU B 31 17.100 -6.260 -4.916 1.00 0.00 C ATOM 1932 C GLU B 31 16.287 -4.998 -4.648 1.00 0.00 C ATOM 1933 O GLU B 31 15.947 -4.275 -5.582 1.00 0.00 O ATOM 1934 CB GLU B 31 16.252 -7.526 -4.765 1.00 0.00 C ATOM 1935 CG GLU B 31 16.995 -8.757 -5.302 1.00 0.00 C ATOM 1936 CD GLU B 31 17.250 -8.690 -6.806 1.00 0.00 C ATOM 1937 OE1 GLU B 31 16.322 -8.269 -7.528 1.00 0.00 O ATOM 1938 OE2 GLU B 31 18.372 -9.057 -7.217 1.00 0.00 O ATOM 0 H GLU B 31 18.180 -7.060 -3.322 1.00 0.00 H new ATOM 0 HA GLU B 31 17.450 -6.219 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.003 -7.677 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.311 -7.403 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU B 31 17.948 -8.855 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.415 -9.652 -5.077 1.00 0.00 H new ATOM 1945 N LEU B 32 16.003 -4.722 -3.372 1.00 0.00 N ATOM 1946 CA LEU B 32 15.272 -3.530 -2.971 1.00 0.00 C ATOM 1947 C LEU B 32 15.983 -2.289 -3.517 1.00 0.00 C ATOM 1948 O LEU B 32 15.354 -1.452 -4.158 1.00 0.00 O ATOM 1949 CB LEU B 32 15.101 -3.515 -1.441 1.00 0.00 C ATOM 1950 CG LEU B 32 14.195 -2.408 -0.864 1.00 0.00 C ATOM 1951 CD1 LEU B 32 14.921 -1.066 -0.708 1.00 0.00 C ATOM 1952 CD2 LEU B 32 12.868 -2.255 -1.614 1.00 0.00 C ATOM 0 H LEU B 32 16.276 -5.322 -2.593 1.00 0.00 H new ATOM 0 HA LEU B 32 14.268 -3.531 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU B 32 14.700 -4.480 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU B 32 16.088 -3.420 -0.988 1.00 0.00 H new ATOM 0 HG LEU B 32 13.939 -2.747 0.140 1.00 0.00 H new ATOM 0 HD11 LEU B 32 14.234 -0.326 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU B 32 15.769 -1.187 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU B 32 15.277 -0.730 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU B 32 12.281 -1.460 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU B 32 13.066 -2.005 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.312 -3.191 -1.565 1.00 0.00 H new ATOM 1964 N LYS B 33 17.302 -2.191 -3.338 1.00 0.00 N ATOM 1965 CA LYS B 33 18.075 -1.052 -3.807 1.00 0.00 C ATOM 1966 C LYS B 33 17.830 -0.828 -5.292 1.00 0.00 C ATOM 1967 O LYS B 33 17.383 0.249 -5.694 1.00 0.00 O ATOM 1968 CB LYS B 33 19.559 -1.342 -3.554 1.00 0.00 C ATOM 1969 CG LYS B 33 20.548 -0.372 -4.220 1.00 0.00 C ATOM 1970 CD LYS B 33 21.971 -0.833 -3.874 1.00 0.00 C ATOM 1971 CE LYS B 33 23.020 0.228 -4.217 1.00 0.00 C ATOM 1972 NZ LYS B 33 22.932 1.381 -3.306 1.00 0.00 N ATOM 0 H LYS B 33 17.859 -2.902 -2.863 1.00 0.00 H new ATOM 0 HA LYS B 33 17.774 -0.150 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS B 33 19.735 -1.330 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS B 33 19.778 -2.352 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS B 33 20.403 -0.362 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS B 33 20.381 0.645 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS B 33 22.027 -1.067 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS B 33 22.195 -1.752 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS B 33 24.016 -0.210 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS B 33 22.880 0.562 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 23.815 1.928 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 22.135 1.986 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 22.784 1.044 -2.333 1.00 0.00 H new ATOM 1986 N GLU B 34 18.152 -1.826 -6.114 1.00 0.00 N ATOM 1987 CA GLU B 34 18.123 -1.619 -7.549 1.00 0.00 C ATOM 1988 C GLU B 34 16.683 -1.412 -8.018 1.00 0.00 C ATOM 1989 O GLU B 34 16.445 -0.545 -8.852 1.00 0.00 O ATOM 1990 CB GLU B 34 18.861 -2.742 -8.286 1.00 0.00 C ATOM 1991 CG GLU B 34 18.206 -4.114 -8.104 1.00 0.00 C ATOM 1992 CD GLU B 34 19.097 -5.230 -8.629 1.00 0.00 C ATOM 1993 OE1 GLU B 34 19.288 -5.272 -9.866 1.00 0.00 O ATOM 1994 OE2 GLU B 34 19.567 -6.031 -7.793 1.00 0.00 O ATOM 0 H GLU B 34 18.429 -2.761 -5.815 1.00 0.00 H new ATOM 0 HA GLU B 34 18.666 -0.707 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU B 34 18.903 -2.504 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU B 34 19.890 -2.787 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.996 -4.281 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.250 -4.134 -8.626 1.00 0.00 H new ATOM 2001 N LEU B 35 15.722 -2.154 -7.454 1.00 0.00 N ATOM 2002 CA LEU B 35 14.298 -1.947 -7.694 1.00 0.00 C ATOM 2003 C LEU B 35 13.953 -0.468 -7.489 1.00 0.00 C ATOM 2004 O LEU B 35 13.415 0.174 -8.392 1.00 0.00 O ATOM 2005 CB LEU B 35 13.511 -2.884 -6.756 1.00 0.00 C ATOM 2006 CG LEU B 35 11.974 -2.767 -6.706 1.00 0.00 C ATOM 2007 CD1 LEU B 35 11.459 -1.485 -6.042 1.00 0.00 C ATOM 2008 CD2 LEU B 35 11.303 -2.952 -8.067 1.00 0.00 C ATOM 0 H LEU B 35 15.919 -2.922 -6.812 1.00 0.00 H new ATOM 0 HA LEU B 35 14.026 -2.191 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU B 35 13.755 -3.909 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU B 35 13.887 -2.730 -5.744 1.00 0.00 H new ATOM 0 HG LEU B 35 11.685 -3.601 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU B 35 10.369 -1.484 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU B 35 11.815 -1.440 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.826 -0.618 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.223 -2.857 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.665 -2.191 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.542 -3.941 -8.459 1.00 0.00 H new ATOM 2020 N ILE B 36 14.283 0.090 -6.317 1.00 0.00 N ATOM 2021 CA ILE B 36 13.929 1.468 -5.992 1.00 0.00 C ATOM 2022 C ILE B 36 14.634 2.427 -6.954 1.00 0.00 C ATOM 2023 O ILE B 36 13.979 3.242 -7.600 1.00 0.00 O ATOM 2024 CB ILE B 36 14.257 1.796 -4.523 1.00 0.00 C ATOM 2025 CG1 ILE B 36 13.463 0.948 -3.512 1.00 0.00 C ATOM 2026 CG2 ILE B 36 14.003 3.278 -4.238 1.00 0.00 C ATOM 2027 CD1 ILE B 36 11.985 1.291 -3.341 1.00 0.00 C ATOM 0 H ILE B 36 14.795 -0.396 -5.581 1.00 0.00 H new ATOM 0 HA ILE B 36 12.853 1.591 -6.112 1.00 0.00 H new ATOM 0 HB ILE B 36 15.312 1.554 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE B 36 13.537 -0.097 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE B 36 13.947 1.036 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE B 36 14.239 3.494 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE B 36 14.633 3.886 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE B 36 12.955 3.511 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE B 36 11.540 0.624 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.888 2.323 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE B 36 11.471 1.172 -4.295 1.00 0.00 H new ATOM 2039 N ASN B 37 15.963 2.333 -7.048 1.00 0.00 N ATOM 2040 CA ASN B 37 16.770 3.174 -7.933 1.00 0.00 C ATOM 2041 C ASN B 37 16.194 3.176 -9.348 1.00 0.00 C ATOM 2042 O ASN B 37 16.064 4.229 -9.967 1.00 0.00 O ATOM 2043 CB ASN B 37 18.226 2.686 -7.994 1.00 0.00 C ATOM 2044 CG ASN B 37 19.075 3.156 -6.819 1.00 0.00 C ATOM 2045 OD1 ASN B 37 19.916 4.035 -6.966 1.00 0.00 O ATOM 2046 ND2 ASN B 37 18.874 2.582 -5.640 1.00 0.00 N ATOM 0 H ASN B 37 16.513 1.665 -6.507 1.00 0.00 H new ATOM 0 HA ASN B 37 16.749 4.184 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN B 37 18.235 1.596 -8.025 1.00 0.00 H new ATOM 0 HB3 ASN B 37 18.679 3.035 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN B 37 19.425 2.870 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN B 37 18.168 1.852 -5.542 1.00 0.00 H new ATOM 2053 N ASN B 38 15.886 1.984 -9.860 1.00 0.00 N ATOM 2054 CA ASN B 38 15.462 1.767 -11.232 1.00 0.00 C ATOM 2055 C ASN B 38 14.054 2.298 -11.484 1.00 0.00 C ATOM 2056 O ASN B 38 13.835 2.984 -12.479 1.00 0.00 O ATOM 2057 CB ASN B 38 15.525 0.269 -11.550 1.00 0.00 C ATOM 2058 CG ASN B 38 15.182 -0.012 -13.007 1.00 0.00 C ATOM 2059 OD1 ASN B 38 14.021 -0.179 -13.365 1.00 0.00 O ATOM 2060 ND2 ASN B 38 16.200 -0.089 -13.860 1.00 0.00 N ATOM 0 H ASN B 38 15.928 1.124 -9.313 1.00 0.00 H new ATOM 0 HA ASN B 38 16.138 2.317 -11.887 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.524 -0.108 -11.332 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.833 -0.270 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.026 -0.292 -14.844 1.00 0.00 H new ATOM 0 HD22 ASN B 38 17.154 0.055 -13.530 1.00 0.00 H new ATOM 2067 N GLU B 39 13.095 1.947 -10.620 1.00 0.00 N ATOM 2068 CA GLU B 39 11.683 2.203 -10.885 1.00 0.00 C ATOM 2069 C GLU B 39 11.101 3.424 -10.167 1.00 0.00 C ATOM 2070 O GLU B 39 10.080 3.936 -10.626 1.00 0.00 O ATOM 2071 CB GLU B 39 10.859 0.935 -10.614 1.00 0.00 C ATOM 2072 CG GLU B 39 11.321 -0.205 -11.540 1.00 0.00 C ATOM 2073 CD GLU B 39 10.352 -1.383 -11.586 1.00 0.00 C ATOM 2074 OE1 GLU B 39 9.133 -1.121 -11.700 1.00 0.00 O ATOM 2075 OE2 GLU B 39 10.855 -2.526 -11.537 1.00 0.00 O ATOM 0 H GLU B 39 13.276 1.484 -9.730 1.00 0.00 H new ATOM 0 HA GLU B 39 11.618 2.463 -11.942 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.971 0.635 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.800 1.139 -10.775 1.00 0.00 H new ATOM 0 HG2 GLU B 39 11.452 0.187 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU B 39 12.296 -0.560 -11.207 1.00 0.00 H new ATOM 2082 N LEU B 40 11.691 3.880 -9.056 1.00 0.00 N ATOM 2083 CA LEU B 40 11.141 4.959 -8.229 1.00 0.00 C ATOM 2084 C LEU B 40 11.863 6.296 -8.469 1.00 0.00 C ATOM 2085 O LEU B 40 11.634 7.261 -7.739 1.00 0.00 O ATOM 2086 CB LEU B 40 11.219 4.540 -6.749 1.00 0.00 C ATOM 2087 CG LEU B 40 10.168 5.181 -5.826 1.00 0.00 C ATOM 2088 CD1 LEU B 40 8.738 4.720 -6.132 1.00 0.00 C ATOM 2089 CD2 LEU B 40 10.473 4.778 -4.385 1.00 0.00 C ATOM 0 H LEU B 40 12.572 3.506 -8.703 1.00 0.00 H new ATOM 0 HA LEU B 40 10.100 5.120 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.117 3.456 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU B 40 12.210 4.788 -6.370 1.00 0.00 H new ATOM 0 HG LEU B 40 10.223 6.258 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.044 5.208 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.482 4.985 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.670 3.639 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.736 5.225 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU B 40 10.433 3.693 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU B 40 11.469 5.128 -4.112 1.00 0.00 H new ATOM 2101 N SER B 41 12.714 6.372 -9.496 1.00 0.00 N ATOM 2102 CA SER B 41 13.638 7.468 -9.755 1.00 0.00 C ATOM 2103 C SER B 41 13.010 8.865 -9.689 1.00 0.00 C ATOM 2104 O SER B 41 13.631 9.800 -9.193 1.00 0.00 O ATOM 2105 CB SER B 41 14.263 7.233 -11.133 1.00 0.00 C ATOM 2106 OG SER B 41 14.359 5.842 -11.384 1.00 0.00 O ATOM 0 H SER B 41 12.777 5.635 -10.199 1.00 0.00 H new ATOM 0 HA SER B 41 14.383 7.462 -8.959 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.657 7.710 -11.904 1.00 0.00 H new ATOM 0 HB3 SER B 41 15.252 7.689 -11.177 1.00 0.00 H new ATOM 0 HG SER B 41 14.996 5.440 -10.758 1.00 0.00 H new ATOM 2112 N HIS B 42 11.801 9.027 -10.234 1.00 0.00 N ATOM 2113 CA HIS B 42 11.127 10.319 -10.274 1.00 0.00 C ATOM 2114 C HIS B 42 10.558 10.668 -8.894 1.00 0.00 C ATOM 2115 O HIS B 42 10.441 11.844 -8.555 1.00 0.00 O ATOM 2116 CB HIS B 42 10.032 10.299 -11.354 1.00 0.00 C ATOM 2117 CG HIS B 42 9.470 11.652 -11.722 1.00 0.00 C ATOM 2118 ND1 HIS B 42 9.382 12.760 -10.907 1.00 0.00 N ATOM 2119 CD2 HIS B 42 8.912 11.989 -12.928 1.00 0.00 C ATOM 2120 CE1 HIS B 42 8.791 13.740 -11.612 1.00 0.00 C ATOM 2121 NE2 HIS B 42 8.485 13.317 -12.849 1.00 0.00 N ATOM 0 H HIS B 42 11.268 8.267 -10.657 1.00 0.00 H new ATOM 0 HA HIS B 42 11.845 11.096 -10.535 1.00 0.00 H new ATOM 0 HB2 HIS B 42 10.438 9.835 -12.253 1.00 0.00 H new ATOM 0 HB3 HIS B 42 9.215 9.665 -11.009 1.00 0.00 H new ATOM 0 HD1 HIS B 42 9.707 12.825 -9.942 1.00 0.00 H new ATOM 0 HD2 HIS B 42 8.819 11.342 -13.788 1.00 0.00 H new ATOM 0 HE1 HIS B 42 8.590 14.732 -11.235 1.00 0.00 H new ATOM 2129 N PHE B 43 10.167 9.657 -8.115 1.00 0.00 N ATOM 2130 CA PHE B 43 9.541 9.847 -6.817 1.00 0.00 C ATOM 2131 C PHE B 43 10.602 10.016 -5.731 1.00 0.00 C ATOM 2132 O PHE B 43 10.360 10.701 -4.739 1.00 0.00 O ATOM 2133 CB PHE B 43 8.639 8.646 -6.503 1.00 0.00 C ATOM 2134 CG PHE B 43 7.182 8.823 -6.883 1.00 0.00 C ATOM 2135 CD1 PHE B 43 6.816 9.103 -8.214 1.00 0.00 C ATOM 2136 CD2 PHE B 43 6.186 8.686 -5.900 1.00 0.00 C ATOM 2137 CE1 PHE B 43 5.459 9.238 -8.556 1.00 0.00 C ATOM 2138 CE2 PHE B 43 4.831 8.770 -6.250 1.00 0.00 C ATOM 2139 CZ PHE B 43 4.468 9.070 -7.573 1.00 0.00 C ATOM 0 H PHE B 43 10.280 8.677 -8.375 1.00 0.00 H new ATOM 0 HA PHE B 43 8.935 10.753 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE B 43 9.031 7.771 -7.022 1.00 0.00 H new ATOM 0 HB3 PHE B 43 8.698 8.436 -5.435 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.578 9.214 -8.972 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.466 8.515 -4.871 1.00 0.00 H new ATOM 0 HE1 PHE B 43 5.178 9.470 -9.573 1.00 0.00 H new ATOM 0 HE2 PHE B 43 4.068 8.604 -5.504 1.00 0.00 H new ATOM 0 HZ PHE B 43 3.425 9.172 -7.836 1.00 0.00 H new ATOM 2149 N LEU B 44 11.747 9.351 -5.889 1.00 0.00 N ATOM 2150 CA LEU B 44 12.756 9.234 -4.858 1.00 0.00 C ATOM 2151 C LEU B 44 14.132 9.310 -5.511 1.00 0.00 C ATOM 2152 O LEU B 44 14.393 8.594 -6.476 1.00 0.00 O ATOM 2153 CB LEU B 44 12.527 7.895 -4.148 1.00 0.00 C ATOM 2154 CG LEU B 44 12.896 7.928 -2.664 1.00 0.00 C ATOM 2155 CD1 LEU B 44 12.323 6.672 -2.006 1.00 0.00 C ATOM 2156 CD2 LEU B 44 14.404 7.976 -2.431 1.00 0.00 C ATOM 0 H LEU B 44 11.995 8.873 -6.755 1.00 0.00 H new ATOM 0 HA LEU B 44 12.696 10.038 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.479 7.612 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.115 7.123 -4.645 1.00 0.00 H new ATOM 0 HG LEU B 44 12.479 8.837 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU B 44 12.573 6.671 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU B 44 11.239 6.662 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.748 5.787 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.606 7.998 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU B 44 14.868 7.093 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU B 44 14.816 8.872 -2.896 1.00 0.00 H new ATOM 2168 N GLU B 45 15.003 10.177 -4.986 1.00 0.00 N ATOM 2169 CA GLU B 45 16.382 10.278 -5.444 1.00 0.00 C ATOM 2170 C GLU B 45 17.030 8.891 -5.399 1.00 0.00 C ATOM 2171 O GLU B 45 16.870 8.169 -4.417 1.00 0.00 O ATOM 2172 CB GLU B 45 17.166 11.269 -4.575 1.00 0.00 C ATOM 2173 CG GLU B 45 16.580 12.689 -4.638 1.00 0.00 C ATOM 2174 CD GLU B 45 17.463 13.711 -3.925 1.00 0.00 C ATOM 2175 OE1 GLU B 45 18.230 13.292 -3.032 1.00 0.00 O ATOM 2176 OE2 GLU B 45 17.359 14.904 -4.288 1.00 0.00 O ATOM 0 H GLU B 45 14.768 10.825 -4.234 1.00 0.00 H new ATOM 0 HA GLU B 45 16.396 10.648 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU B 45 17.164 10.923 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU B 45 18.206 11.292 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU B 45 16.456 12.983 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU B 45 15.588 12.691 -4.186 1.00 0.00 H new ATOM 2183 N GLU B 46 17.735 8.507 -6.464 1.00 0.00 N ATOM 2184 CA GLU B 46 18.250 7.157 -6.602 1.00 0.00 C ATOM 2185 C GLU B 46 19.196 6.818 -5.443 1.00 0.00 C ATOM 2186 O GLU B 46 20.133 7.548 -5.114 1.00 0.00 O ATOM 2187 CB GLU B 46 18.836 6.963 -8.004 1.00 0.00 C ATOM 2188 CG GLU B 46 20.268 7.482 -8.042 1.00 0.00 C ATOM 2189 CD GLU B 46 20.790 7.621 -9.466 1.00 0.00 C ATOM 2190 OE1 GLU B 46 20.361 8.587 -10.133 1.00 0.00 O ATOM 2191 OE2 GLU B 46 21.606 6.760 -9.862 1.00 0.00 O ATOM 0 H GLU B 46 17.960 9.122 -7.246 1.00 0.00 H new ATOM 0 HA GLU B 46 17.444 6.428 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU B 46 18.815 5.907 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU B 46 18.228 7.492 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU B 46 20.316 8.450 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU B 46 20.914 6.804 -7.484 1.00 0.00 H new ATOM 2198 N ILE B 47 18.905 5.703 -4.790 1.00 0.00 N ATOM 2199 CA ILE B 47 19.526 5.305 -3.543 1.00 0.00 C ATOM 2200 C ILE B 47 20.835 4.595 -3.853 1.00 0.00 C ATOM 2201 O ILE B 47 20.942 3.375 -3.730 1.00 0.00 O ATOM 2202 CB ILE B 47 18.552 4.486 -2.678 1.00 0.00 C ATOM 2203 CG1 ILE B 47 17.148 5.090 -2.812 1.00 0.00 C ATOM 2204 CG2 ILE B 47 19.042 4.545 -1.225 1.00 0.00 C ATOM 2205 CD1 ILE B 47 16.140 4.555 -1.804 1.00 0.00 C ATOM 0 H ILE B 47 18.211 5.034 -5.125 1.00 0.00 H new ATOM 0 HA ILE B 47 19.768 6.178 -2.937 1.00 0.00 H new ATOM 0 HB ILE B 47 18.512 3.445 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE B 47 17.218 6.172 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE B 47 16.776 4.897 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE B 47 18.367 3.971 -0.590 1.00 0.00 H new ATOM 0 HG22 ILE B 47 20.046 4.124 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE B 47 19.062 5.582 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE B 47 15.174 5.033 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE B 47 16.037 3.477 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE B 47 16.486 4.772 -0.793 1.00 0.00 H new ATOM 2217 N LYS B 48 21.820 5.388 -4.270 1.00 0.00 N ATOM 2218 CA LYS B 48 23.184 4.940 -4.493 1.00 0.00 C ATOM 2219 C LYS B 48 23.836 4.466 -3.187 1.00 0.00 C ATOM 2220 O LYS B 48 24.674 3.568 -3.199 1.00 0.00 O ATOM 2221 CB LYS B 48 23.990 6.059 -5.173 1.00 0.00 C ATOM 2222 CG LYS B 48 24.052 7.363 -4.362 1.00 0.00 C ATOM 2223 CD LYS B 48 24.847 8.417 -5.138 1.00 0.00 C ATOM 2224 CE LYS B 48 24.928 9.722 -4.338 1.00 0.00 C ATOM 2225 NZ LYS B 48 25.676 10.756 -5.073 1.00 0.00 N ATOM 0 H LYS B 48 21.684 6.380 -4.465 1.00 0.00 H new ATOM 0 HA LYS B 48 23.172 4.078 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS B 48 25.005 5.705 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS B 48 23.550 6.269 -6.148 1.00 0.00 H new ATOM 0 HG2 LYS B 48 23.044 7.727 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS B 48 24.521 7.179 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS B 48 25.851 8.046 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS B 48 24.373 8.603 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS B 48 23.922 10.082 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS B 48 25.411 9.534 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 25.713 11.627 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 26.643 10.420 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 25.200 10.952 -5.977 1.00 0.00 H new ATOM 2239 N GLU B 49 23.459 5.068 -2.055 1.00 0.00 N ATOM 2240 CA GLU B 49 24.060 4.777 -0.763 1.00 0.00 C ATOM 2241 C GLU B 49 23.402 3.549 -0.119 1.00 0.00 C ATOM 2242 O GLU B 49 22.310 3.651 0.441 1.00 0.00 O ATOM 2243 CB GLU B 49 23.973 6.026 0.130 1.00 0.00 C ATOM 2244 CG GLU B 49 24.533 5.783 1.538 1.00 0.00 C ATOM 2245 CD GLU B 49 25.919 5.146 1.521 1.00 0.00 C ATOM 2246 OE1 GLU B 49 26.892 5.887 1.263 1.00 0.00 O ATOM 2247 OE2 GLU B 49 25.963 3.912 1.722 1.00 0.00 O ATOM 0 H GLU B 49 22.724 5.774 -2.016 1.00 0.00 H new ATOM 0 HA GLU B 49 25.113 4.528 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU B 49 24.521 6.843 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU B 49 22.933 6.342 0.206 1.00 0.00 H new ATOM 0 HG2 GLU B 49 24.580 6.731 2.074 1.00 0.00 H new ATOM 0 HG3 GLU B 49 23.849 5.139 2.090 1.00 0.00 H new ATOM 2254 N GLN B 50 24.098 2.407 -0.145 1.00 0.00 N ATOM 2255 CA GLN B 50 23.670 1.156 0.477 1.00 0.00 C ATOM 2256 C GLN B 50 23.166 1.358 1.915 1.00 0.00 C ATOM 2257 O GLN B 50 22.172 0.749 2.309 1.00 0.00 O ATOM 2258 CB GLN B 50 24.804 0.124 0.415 1.00 0.00 C ATOM 2259 CG GLN B 50 24.283 -1.296 0.696 1.00 0.00 C ATOM 2260 CD GLN B 50 25.415 -2.315 0.753 1.00 0.00 C ATOM 2261 OE1 GLN B 50 25.460 -3.249 -0.040 1.00 0.00 O ATOM 2262 NE2 GLN B 50 26.334 -2.155 1.700 1.00 0.00 N ATOM 0 H GLN B 50 25.000 2.329 -0.614 1.00 0.00 H new ATOM 0 HA GLN B 50 22.820 0.776 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN B 50 25.272 0.154 -0.569 1.00 0.00 H new ATOM 0 HB3 GLN B 50 25.574 0.382 1.142 1.00 0.00 H new ATOM 0 HG2 GLN B 50 23.740 -1.303 1.641 1.00 0.00 H new ATOM 0 HG3 GLN B 50 23.575 -1.583 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN B 50 26.270 -1.368 2.345 1.00 0.00 H new ATOM 0 HE22 GLN B 50 27.104 -2.820 1.781 1.00 0.00 H new ATOM 2271 N GLU B 51 23.811 2.227 2.702 1.00 0.00 N ATOM 2272 CA GLU B 51 23.371 2.469 4.074 1.00 0.00 C ATOM 2273 C GLU B 51 21.908 2.929 4.088 1.00 0.00 C ATOM 2274 O GLU B 51 21.127 2.512 4.943 1.00 0.00 O ATOM 2275 CB GLU B 51 24.249 3.533 4.750 1.00 0.00 C ATOM 2276 CG GLU B 51 25.718 3.116 4.905 1.00 0.00 C ATOM 2277 CD GLU B 51 26.570 4.292 5.379 1.00 0.00 C ATOM 2278 OE1 GLU B 51 26.621 5.293 4.631 1.00 0.00 O ATOM 2279 OE2 GLU B 51 27.141 4.177 6.485 1.00 0.00 O ATOM 0 H GLU B 51 24.628 2.766 2.415 1.00 0.00 H new ATOM 0 HA GLU B 51 23.463 1.535 4.628 1.00 0.00 H new ATOM 0 HB2 GLU B 51 24.202 4.453 4.168 1.00 0.00 H new ATOM 0 HB3 GLU B 51 23.839 3.757 5.735 1.00 0.00 H new ATOM 0 HG2 GLU B 51 25.794 2.295 5.618 1.00 0.00 H new ATOM 0 HG3 GLU B 51 26.098 2.747 3.953 1.00 0.00 H new ATOM 2286 N VAL B 52 21.525 3.778 3.130 1.00 0.00 N ATOM 2287 CA VAL B 52 20.168 4.284 3.060 1.00 0.00 C ATOM 2288 C VAL B 52 19.224 3.173 2.611 1.00 0.00 C ATOM 2289 O VAL B 52 18.162 3.035 3.209 1.00 0.00 O ATOM 2290 CB VAL B 52 20.086 5.545 2.187 1.00 0.00 C ATOM 2291 CG1 VAL B 52 18.637 6.047 2.103 1.00 0.00 C ATOM 2292 CG2 VAL B 52 20.957 6.652 2.795 1.00 0.00 C ATOM 0 H VAL B 52 22.142 4.124 2.396 1.00 0.00 H new ATOM 0 HA VAL B 52 19.846 4.597 4.053 1.00 0.00 H new ATOM 0 HB VAL B 52 20.440 5.295 1.187 1.00 0.00 H new ATOM 0 HG11 VAL B 52 18.597 6.941 1.481 1.00 0.00 H new ATOM 0 HG12 VAL B 52 18.008 5.272 1.665 1.00 0.00 H new ATOM 0 HG13 VAL B 52 18.276 6.285 3.104 1.00 0.00 H new ATOM 0 HG21 VAL B 52 20.897 7.545 2.173 1.00 0.00 H new ATOM 0 HG22 VAL B 52 20.602 6.884 3.799 1.00 0.00 H new ATOM 0 HG23 VAL B 52 21.992 6.314 2.845 1.00 0.00 H new ATOM 2302 N VAL B 53 19.590 2.368 1.603 1.00 0.00 N ATOM 2303 CA VAL B 53 18.738 1.258 1.180 1.00 0.00 C ATOM 2304 C VAL B 53 18.423 0.391 2.403 1.00 0.00 C ATOM 2305 O VAL B 53 17.261 0.118 2.709 1.00 0.00 O ATOM 2306 CB VAL B 53 19.319 0.444 -0.004 1.00 0.00 C ATOM 2307 CG1 VAL B 53 20.160 1.258 -0.990 1.00 0.00 C ATOM 2308 CG2 VAL B 53 20.029 -0.868 0.372 1.00 0.00 C ATOM 0 H VAL B 53 20.457 2.466 1.075 1.00 0.00 H new ATOM 0 HA VAL B 53 17.810 1.667 0.781 1.00 0.00 H new ATOM 0 HB VAL B 53 18.408 0.151 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL B 53 20.524 0.605 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL B 53 19.548 2.049 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL B 53 21.008 1.700 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL B 53 20.396 -1.355 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL B 53 20.868 -0.651 1.034 1.00 0.00 H new ATOM 0 HG23 VAL B 53 19.327 -1.529 0.881 1.00 0.00 H new ATOM 2318 N ASP B 54 19.487 0.006 3.118 1.00 0.00 N ATOM 2319 CA ASP B 54 19.404 -0.791 4.323 1.00 0.00 C ATOM 2320 C ASP B 54 18.473 -0.113 5.320 1.00 0.00 C ATOM 2321 O ASP B 54 17.541 -0.749 5.797 1.00 0.00 O ATOM 2322 CB ASP B 54 20.799 -1.016 4.913 1.00 0.00 C ATOM 2323 CG ASP B 54 20.719 -1.887 6.162 1.00 0.00 C ATOM 2324 OD1 ASP B 54 20.758 -3.125 5.991 1.00 0.00 O ATOM 2325 OD2 ASP B 54 20.612 -1.297 7.259 1.00 0.00 O ATOM 0 H ASP B 54 20.443 0.250 2.860 1.00 0.00 H new ATOM 0 HA ASP B 54 18.992 -1.771 4.084 1.00 0.00 H new ATOM 0 HB2 ASP B 54 21.441 -1.492 4.172 1.00 0.00 H new ATOM 0 HB3 ASP B 54 21.254 -0.057 5.160 1.00 0.00 H new ATOM 2330 N LYS B 55 18.687 1.172 5.620 1.00 0.00 N ATOM 2331 CA LYS B 55 17.867 1.857 6.607 1.00 0.00 C ATOM 2332 C LYS B 55 16.394 1.864 6.193 1.00 0.00 C ATOM 2333 O LYS B 55 15.536 1.489 6.992 1.00 0.00 O ATOM 2334 CB LYS B 55 18.399 3.281 6.834 1.00 0.00 C ATOM 2335 CG LYS B 55 17.643 4.041 7.939 1.00 0.00 C ATOM 2336 CD LYS B 55 16.503 4.920 7.392 1.00 0.00 C ATOM 2337 CE LYS B 55 15.724 5.612 8.517 1.00 0.00 C ATOM 2338 NZ LYS B 55 16.567 6.539 9.292 1.00 0.00 N ATOM 0 H LYS B 55 19.414 1.748 5.196 1.00 0.00 H new ATOM 0 HA LYS B 55 17.929 1.315 7.551 1.00 0.00 H new ATOM 0 HB2 LYS B 55 19.456 3.230 7.095 1.00 0.00 H new ATOM 0 HB3 LYS B 55 18.328 3.842 5.902 1.00 0.00 H new ATOM 0 HG2 LYS B 55 17.233 3.324 8.650 1.00 0.00 H new ATOM 0 HG3 LYS B 55 18.346 4.667 8.488 1.00 0.00 H new ATOM 0 HD2 LYS B 55 16.915 5.673 6.720 1.00 0.00 H new ATOM 0 HD3 LYS B 55 15.822 4.306 6.803 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.883 6.159 8.091 1.00 0.00 H new ATOM 0 HE3 LYS B 55 15.308 4.858 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 15.974 7.070 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 17.284 5.999 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 17.038 7.203 8.645 1.00 0.00 H new ATOM 2352 N VAL B 56 16.080 2.291 4.963 1.00 0.00 N ATOM 2353 CA VAL B 56 14.686 2.469 4.572 1.00 0.00 C ATOM 2354 C VAL B 56 13.962 1.124 4.569 1.00 0.00 C ATOM 2355 O VAL B 56 12.841 1.038 5.062 1.00 0.00 O ATOM 2356 CB VAL B 56 14.507 3.267 3.263 1.00 0.00 C ATOM 2357 CG1 VAL B 56 15.159 4.656 3.354 1.00 0.00 C ATOM 2358 CG2 VAL B 56 14.996 2.535 2.009 1.00 0.00 C ATOM 0 H VAL B 56 16.761 2.514 4.238 1.00 0.00 H new ATOM 0 HA VAL B 56 14.212 3.098 5.326 1.00 0.00 H new ATOM 0 HB VAL B 56 13.429 3.381 3.152 1.00 0.00 H new ATOM 0 HG11 VAL B 56 15.013 5.189 2.414 1.00 0.00 H new ATOM 0 HG12 VAL B 56 14.701 5.220 4.166 1.00 0.00 H new ATOM 0 HG13 VAL B 56 16.226 4.545 3.546 1.00 0.00 H new ATOM 0 HG21 VAL B 56 14.834 3.164 1.134 1.00 0.00 H new ATOM 0 HG22 VAL B 56 16.059 2.316 2.107 1.00 0.00 H new ATOM 0 HG23 VAL B 56 14.443 1.603 1.893 1.00 0.00 H new ATOM 2368 N MET B 57 14.593 0.061 4.058 1.00 0.00 N ATOM 2369 CA MET B 57 13.948 -1.245 4.069 1.00 0.00 C ATOM 2370 C MET B 57 13.879 -1.807 5.498 1.00 0.00 C ATOM 2371 O MET B 57 12.809 -2.217 5.950 1.00 0.00 O ATOM 2372 CB MET B 57 14.563 -2.157 2.999 1.00 0.00 C ATOM 2373 CG MET B 57 16.020 -2.582 3.222 1.00 0.00 C ATOM 2374 SD MET B 57 16.303 -4.255 3.839 1.00 0.00 S ATOM 2375 CE MET B 57 15.627 -5.229 2.472 1.00 0.00 C ATOM 0 H MET B 57 15.525 0.081 3.643 1.00 0.00 H new ATOM 0 HA MET B 57 12.902 -1.162 3.774 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.952 -3.057 2.924 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.499 -1.647 2.038 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.552 -2.476 2.277 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.473 -1.882 3.923 1.00 0.00 H new ATOM 0 HE1 MET B 57 16.302 -6.054 2.245 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.652 -5.625 2.755 1.00 0.00 H new ATOM 0 HE3 MET B 57 15.520 -4.595 1.592 1.00 0.00 H new ATOM 2385 N GLU B 58 14.977 -1.726 6.260 1.00 0.00 N ATOM 2386 CA GLU B 58 15.034 -2.161 7.653 1.00 0.00 C ATOM 2387 C GLU B 58 13.914 -1.518 8.469 1.00 0.00 C ATOM 2388 O GLU B 58 13.256 -2.189 9.261 1.00 0.00 O ATOM 2389 CB GLU B 58 16.405 -1.821 8.248 1.00 0.00 C ATOM 2390 CG GLU B 58 16.500 -2.212 9.725 1.00 0.00 C ATOM 2391 CD GLU B 58 17.930 -2.074 10.231 1.00 0.00 C ATOM 2392 OE1 GLU B 58 18.298 -0.929 10.572 1.00 0.00 O ATOM 2393 OE2 GLU B 58 18.627 -3.111 10.267 1.00 0.00 O ATOM 0 H GLU B 58 15.861 -1.350 5.917 1.00 0.00 H new ATOM 0 HA GLU B 58 14.894 -3.241 7.689 1.00 0.00 H new ATOM 0 HB2 GLU B 58 17.183 -2.337 7.685 1.00 0.00 H new ATOM 0 HB3 GLU B 58 16.591 -0.752 8.143 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.838 -1.580 10.316 1.00 0.00 H new ATOM 0 HG3 GLU B 58 16.161 -3.240 9.856 1.00 0.00 H new ATOM 2400 N THR B 59 13.656 -0.233 8.231 1.00 0.00 N ATOM 2401 CA THR B 59 12.603 0.514 8.908 1.00 0.00 C ATOM 2402 C THR B 59 11.236 -0.173 8.759 1.00 0.00 C ATOM 2403 O THR B 59 10.401 -0.038 9.650 1.00 0.00 O ATOM 2404 CB THR B 59 12.593 1.958 8.369 1.00 0.00 C ATOM 2405 OG1 THR B 59 13.782 2.611 8.763 1.00 0.00 O ATOM 2406 CG2 THR B 59 11.404 2.800 8.839 1.00 0.00 C ATOM 0 H THR B 59 14.179 0.323 7.555 1.00 0.00 H new ATOM 0 HA THR B 59 12.807 0.540 9.978 1.00 0.00 H new ATOM 0 HB THR B 59 12.510 1.871 7.286 1.00 0.00 H new ATOM 0 HG1 THR B 59 14.501 2.389 8.135 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.476 3.801 8.413 1.00 0.00 H new ATOM 0 HG22 THR B 59 10.475 2.332 8.512 1.00 0.00 H new ATOM 0 HG23 THR B 59 11.413 2.867 9.927 1.00 0.00 H new ATOM 2414 N LEU B 60 10.992 -0.910 7.666 1.00 0.00 N ATOM 2415 CA LEU B 60 9.750 -1.652 7.467 1.00 0.00 C ATOM 2416 C LEU B 60 9.919 -3.157 7.717 1.00 0.00 C ATOM 2417 O LEU B 60 8.966 -3.904 7.524 1.00 0.00 O ATOM 2418 CB LEU B 60 9.204 -1.416 6.048 1.00 0.00 C ATOM 2419 CG LEU B 60 8.626 -0.024 5.735 1.00 0.00 C ATOM 2420 CD1 LEU B 60 7.676 0.466 6.834 1.00 0.00 C ATOM 2421 CD2 LEU B 60 9.697 1.023 5.425 1.00 0.00 C ATOM 0 H LEU B 60 11.655 -1.005 6.897 1.00 0.00 H new ATOM 0 HA LEU B 60 9.037 -1.276 8.201 1.00 0.00 H new ATOM 0 HB2 LEU B 60 10.009 -1.614 5.340 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.425 -2.155 5.859 1.00 0.00 H new ATOM 0 HG LEU B 60 8.045 -0.151 4.821 1.00 0.00 H new ATOM 0 HD11 LEU B 60 7.293 1.452 6.571 1.00 0.00 H new ATOM 0 HD12 LEU B 60 6.845 -0.232 6.934 1.00 0.00 H new ATOM 0 HD13 LEU B 60 8.214 0.527 7.780 1.00 0.00 H new ATOM 0 HD21 LEU B 60 9.220 1.980 5.214 1.00 0.00 H new ATOM 0 HD22 LEU B 60 10.360 1.130 6.283 1.00 0.00 H new ATOM 0 HD23 LEU B 60 10.275 0.706 4.557 1.00 0.00 H new ATOM 2433 N ASP B 61 11.099 -3.640 8.114 1.00 0.00 N ATOM 2434 CA ASP B 61 11.393 -5.072 8.166 1.00 0.00 C ATOM 2435 C ASP B 61 10.706 -5.773 9.349 1.00 0.00 C ATOM 2436 O ASP B 61 11.367 -6.249 10.272 1.00 0.00 O ATOM 2437 CB ASP B 61 12.916 -5.288 8.168 1.00 0.00 C ATOM 2438 CG ASP B 61 13.319 -6.764 8.199 1.00 0.00 C ATOM 2439 OD1 ASP B 61 12.522 -7.602 7.728 1.00 0.00 O ATOM 2440 OD2 ASP B 61 14.430 -7.041 8.704 1.00 0.00 O ATOM 0 H ASP B 61 11.876 -3.049 8.408 1.00 0.00 H new ATOM 0 HA ASP B 61 10.977 -5.537 7.272 1.00 0.00 H new ATOM 0 HB2 ASP B 61 13.343 -4.821 7.281 1.00 0.00 H new ATOM 0 HB3 ASP B 61 13.346 -4.783 9.033 1.00 0.00 H new ATOM 2445 N SER B 62 9.378 -5.906 9.283 1.00 0.00 N ATOM 2446 CA SER B 62 8.566 -6.677 10.219 1.00 0.00 C ATOM 2447 C SER B 62 9.128 -8.086 10.408 1.00 0.00 C ATOM 2448 O SER B 62 9.064 -8.652 11.497 1.00 0.00 O ATOM 2449 CB SER B 62 7.130 -6.758 9.693 1.00 0.00 C ATOM 2450 OG SER B 62 7.103 -7.496 8.488 1.00 0.00 O ATOM 0 H SER B 62 8.823 -5.463 8.550 1.00 0.00 H new ATOM 0 HA SER B 62 8.581 -6.176 11.187 1.00 0.00 H new ATOM 0 HB2 SER B 62 6.487 -7.232 10.435 1.00 0.00 H new ATOM 0 HB3 SER B 62 6.737 -5.755 9.525 1.00 0.00 H new ATOM 0 HG SER B 62 6.193 -7.820 8.323 1.00 0.00 H new ATOM 2456 N ASP B 63 9.692 -8.642 9.329 1.00 0.00 N ATOM 2457 CA ASP B 63 10.185 -10.007 9.290 1.00 0.00 C ATOM 2458 C ASP B 63 11.463 -10.153 10.121 1.00 0.00 C ATOM 2459 O ASP B 63 11.857 -11.277 10.418 1.00 0.00 O ATOM 2460 CB ASP B 63 10.491 -10.397 7.833 1.00 0.00 C ATOM 2461 CG ASP B 63 9.325 -10.155 6.879 1.00 0.00 C ATOM 2462 OD1 ASP B 63 8.495 -11.082 6.757 1.00 0.00 O ATOM 2463 OD2 ASP B 63 9.287 -9.052 6.285 1.00 0.00 O ATOM 0 H ASP B 63 9.816 -8.141 8.449 1.00 0.00 H new ATOM 0 HA ASP B 63 9.419 -10.660 9.707 1.00 0.00 H new ATOM 0 HB2 ASP B 63 11.356 -9.830 7.488 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.766 -11.451 7.798 1.00 0.00 H new ATOM 2468 N GLY B 64 12.124 -9.040 10.475 1.00 0.00 N ATOM 2469 CA GLY B 64 13.401 -9.051 11.176 1.00 0.00 C ATOM 2470 C GLY B 64 14.427 -9.955 10.490 1.00 0.00 C ATOM 2471 O GLY B 64 15.282 -10.535 11.153 1.00 0.00 O ATOM 0 H GLY B 64 11.777 -8.102 10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 64 13.793 -8.035 11.231 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.248 -9.389 12.201 1.00 0.00 H new ATOM 2475 N ASP B 65 14.330 -10.085 9.162 1.00 0.00 N ATOM 2476 CA ASP B 65 15.096 -11.035 8.361 1.00 0.00 C ATOM 2477 C ASP B 65 15.987 -10.292 7.363 1.00 0.00 C ATOM 2478 O ASP B 65 16.593 -10.899 6.482 1.00 0.00 O ATOM 2479 CB ASP B 65 14.095 -11.948 7.638 1.00 0.00 C ATOM 2480 CG ASP B 65 14.775 -13.062 6.847 1.00 0.00 C ATOM 2481 OD1 ASP B 65 15.466 -13.881 7.490 1.00 0.00 O ATOM 2482 OD2 ASP B 65 14.573 -13.085 5.613 1.00 0.00 O ATOM 0 H ASP B 65 13.697 -9.514 8.603 1.00 0.00 H new ATOM 0 HA ASP B 65 15.752 -11.633 8.994 1.00 0.00 H new ATOM 0 HB2 ASP B 65 13.418 -12.389 8.370 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.486 -11.348 6.962 1.00 0.00 H new ATOM 2487 N GLY B 66 16.036 -8.960 7.454 1.00 0.00 N ATOM 2488 CA GLY B 66 16.657 -8.131 6.444 1.00 0.00 C ATOM 2489 C GLY B 66 15.726 -8.069 5.241 1.00 0.00 C ATOM 2490 O GLY B 66 15.150 -7.025 4.944 1.00 0.00 O ATOM 0 H GLY B 66 15.643 -8.435 8.235 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.841 -7.130 6.834 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.624 -8.543 6.156 1.00 0.00 H new ATOM 2494 N GLU B 67 15.558 -9.207 4.566 1.00 0.00 N ATOM 2495 CA GLU B 67 14.673 -9.339 3.429 1.00 0.00 C ATOM 2496 C GLU B 67 13.252 -8.909 3.813 1.00 0.00 C ATOM 2497 O GLU B 67 12.657 -9.476 4.728 1.00 0.00 O ATOM 2498 CB GLU B 67 14.703 -10.771 2.884 1.00 0.00 C ATOM 2499 CG GLU B 67 16.110 -11.386 2.808 1.00 0.00 C ATOM 2500 CD GLU B 67 16.116 -12.677 1.994 1.00 0.00 C ATOM 2501 OE1 GLU B 67 15.360 -13.594 2.377 1.00 0.00 O ATOM 2502 OE2 GLU B 67 16.865 -12.724 0.994 1.00 0.00 O ATOM 0 H GLU B 67 16.045 -10.071 4.805 1.00 0.00 H new ATOM 0 HA GLU B 67 15.019 -8.680 2.632 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.077 -11.401 3.515 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.261 -10.778 1.888 1.00 0.00 H new ATOM 0 HG2 GLU B 67 16.797 -10.669 2.359 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.474 -11.589 3.815 1.00 0.00 H new ATOM 2509 N CYS B 68 12.718 -7.904 3.114 1.00 0.00 N ATOM 2510 CA CYS B 68 11.444 -7.272 3.456 1.00 0.00 C ATOM 2511 C CYS B 68 10.323 -7.910 2.646 1.00 0.00 C ATOM 2512 O CYS B 68 10.461 -8.029 1.430 1.00 0.00 O ATOM 2513 CB CYS B 68 11.524 -5.771 3.165 1.00 0.00 C ATOM 2514 SG CYS B 68 12.462 -4.971 4.483 1.00 0.00 S ATOM 0 H CYS B 68 13.163 -7.504 2.288 1.00 0.00 H new ATOM 0 HA CYS B 68 11.236 -7.416 4.516 1.00 0.00 H new ATOM 0 HB2 CYS B 68 12.004 -5.599 2.202 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.523 -5.345 3.103 1.00 0.00 H new ATOM 0 HG CYS B 68 13.522 -5.674 4.750 1.00 0.00 H new ATOM 2520 N ASP B 69 9.235 -8.335 3.302 1.00 0.00 N ATOM 2521 CA ASP B 69 8.147 -9.068 2.666 1.00 0.00 C ATOM 2522 C ASP B 69 7.310 -8.156 1.771 1.00 0.00 C ATOM 2523 O ASP B 69 7.304 -6.938 1.948 1.00 0.00 O ATOM 2524 CB ASP B 69 7.288 -9.755 3.739 1.00 0.00 C ATOM 2525 CG ASP B 69 6.159 -10.590 3.137 1.00 0.00 C ATOM 2526 OD1 ASP B 69 6.438 -11.754 2.783 1.00 0.00 O ATOM 2527 OD2 ASP B 69 5.045 -10.032 3.017 1.00 0.00 O ATOM 0 H ASP B 69 9.090 -8.175 4.299 1.00 0.00 H new ATOM 0 HA ASP B 69 8.572 -9.836 2.020 1.00 0.00 H new ATOM 0 HB2 ASP B 69 7.922 -10.395 4.353 1.00 0.00 H new ATOM 0 HB3 ASP B 69 6.864 -8.999 4.400 1.00 0.00 H new ATOM 2532 N PHE B 70 6.553 -8.758 0.850 1.00 0.00 N ATOM 2533 CA PHE B 70 5.606 -8.055 -0.003 1.00 0.00 C ATOM 2534 C PHE B 70 4.706 -7.098 0.795 1.00 0.00 C ATOM 2535 O PHE B 70 4.495 -5.965 0.372 1.00 0.00 O ATOM 2536 CB PHE B 70 4.785 -9.074 -0.798 1.00 0.00 C ATOM 2537 CG PHE B 70 3.883 -8.421 -1.824 1.00 0.00 C ATOM 2538 CD1 PHE B 70 4.457 -7.896 -2.992 1.00 0.00 C ATOM 2539 CD2 PHE B 70 2.530 -8.169 -1.541 1.00 0.00 C ATOM 2540 CE1 PHE B 70 3.687 -7.151 -3.896 1.00 0.00 C ATOM 2541 CE2 PHE B 70 1.757 -7.413 -2.440 1.00 0.00 C ATOM 2542 CZ PHE B 70 2.344 -6.879 -3.603 1.00 0.00 C ATOM 0 H PHE B 70 6.585 -9.763 0.678 1.00 0.00 H new ATOM 0 HA PHE B 70 6.166 -7.430 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE B 70 5.460 -9.766 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.179 -9.663 -0.110 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.503 -8.068 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE B 70 2.085 -8.555 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE B 70 4.127 -6.789 -4.813 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.710 -7.241 -2.238 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.760 -6.261 -4.268 1.00 0.00 H new ATOM 2552 N GLN B 71 4.224 -7.519 1.970 1.00 0.00 N ATOM 2553 CA GLN B 71 3.506 -6.650 2.902 1.00 0.00 C ATOM 2554 C GLN B 71 4.288 -5.364 3.193 1.00 0.00 C ATOM 2555 O GLN B 71 3.746 -4.262 3.132 1.00 0.00 O ATOM 2556 CB GLN B 71 3.278 -7.400 4.223 1.00 0.00 C ATOM 2557 CG GLN B 71 2.147 -8.431 4.136 1.00 0.00 C ATOM 2558 CD GLN B 71 0.800 -7.814 4.516 1.00 0.00 C ATOM 2559 OE1 GLN B 71 0.439 -7.793 5.687 1.00 0.00 O ATOM 2560 NE2 GLN B 71 0.037 -7.301 3.555 1.00 0.00 N ATOM 0 H GLN B 71 4.323 -8.479 2.301 1.00 0.00 H new ATOM 0 HA GLN B 71 2.556 -6.379 2.442 1.00 0.00 H new ATOM 0 HB2 GLN B 71 4.200 -7.903 4.513 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.047 -6.680 5.008 1.00 0.00 H new ATOM 0 HG2 GLN B 71 2.093 -8.830 3.123 1.00 0.00 H new ATOM 0 HG3 GLN B 71 2.365 -9.269 4.798 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.352 -7.327 2.585 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.863 -6.882 3.788 1.00 0.00 H new ATOM 2569 N GLU B 72 5.564 -5.503 3.545 1.00 0.00 N ATOM 2570 CA GLU B 72 6.393 -4.392 3.985 1.00 0.00 C ATOM 2571 C GLU B 72 6.735 -3.491 2.803 1.00 0.00 C ATOM 2572 O GLU B 72 6.719 -2.266 2.907 1.00 0.00 O ATOM 2573 CB GLU B 72 7.638 -4.949 4.683 1.00 0.00 C ATOM 2574 CG GLU B 72 7.276 -5.914 5.825 1.00 0.00 C ATOM 2575 CD GLU B 72 6.124 -5.422 6.702 1.00 0.00 C ATOM 2576 OE1 GLU B 72 6.158 -4.245 7.121 1.00 0.00 O ATOM 2577 OE2 GLU B 72 5.222 -6.253 6.953 1.00 0.00 O ATOM 0 H GLU B 72 6.052 -6.398 3.532 1.00 0.00 H new ATOM 0 HA GLU B 72 5.854 -3.773 4.703 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.261 -5.468 3.954 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.231 -4.125 5.079 1.00 0.00 H new ATOM 0 HG2 GLU B 72 7.010 -6.882 5.401 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.156 -6.070 6.450 1.00 0.00 H new ATOM 2584 N PHE B 73 7.004 -4.113 1.658 1.00 0.00 N ATOM 2585 CA PHE B 73 7.130 -3.412 0.393 1.00 0.00 C ATOM 2586 C PHE B 73 5.874 -2.562 0.152 1.00 0.00 C ATOM 2587 O PHE B 73 5.976 -1.356 -0.066 1.00 0.00 O ATOM 2588 CB PHE B 73 7.390 -4.452 -0.699 1.00 0.00 C ATOM 2589 CG PHE B 73 7.165 -3.981 -2.120 1.00 0.00 C ATOM 2590 CD1 PHE B 73 8.143 -3.190 -2.750 1.00 0.00 C ATOM 2591 CD2 PHE B 73 6.031 -4.397 -2.844 1.00 0.00 C ATOM 2592 CE1 PHE B 73 8.014 -2.866 -4.109 1.00 0.00 C ATOM 2593 CE2 PHE B 73 5.899 -4.061 -4.205 1.00 0.00 C ATOM 2594 CZ PHE B 73 6.910 -3.321 -4.847 1.00 0.00 C ATOM 0 H PHE B 73 7.140 -5.121 1.586 1.00 0.00 H new ATOM 0 HA PHE B 73 7.969 -2.716 0.392 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.420 -4.797 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.748 -5.313 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE B 73 8.993 -2.832 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.261 -4.975 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE B 73 8.769 -2.262 -4.591 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.023 -4.371 -4.756 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.837 -3.104 -5.902 1.00 0.00 H new ATOM 2604 N MET B 74 4.686 -3.165 0.259 1.00 0.00 N ATOM 2605 CA MET B 74 3.423 -2.451 0.141 1.00 0.00 C ATOM 2606 C MET B 74 3.280 -1.341 1.185 1.00 0.00 C ATOM 2607 O MET B 74 2.764 -0.274 0.872 1.00 0.00 O ATOM 2608 CB MET B 74 2.246 -3.434 0.157 1.00 0.00 C ATOM 2609 CG MET B 74 2.117 -4.143 -1.202 1.00 0.00 C ATOM 2610 SD MET B 74 0.629 -3.771 -2.169 1.00 0.00 S ATOM 2611 CE MET B 74 0.717 -1.967 -2.277 1.00 0.00 C ATOM 0 H MET B 74 4.579 -4.165 0.430 1.00 0.00 H new ATOM 0 HA MET B 74 3.415 -1.944 -0.824 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.391 -4.172 0.946 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.323 -2.901 0.385 1.00 0.00 H new ATOM 0 HG2 MET B 74 2.989 -3.887 -1.805 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.153 -5.219 -1.031 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.009 -1.612 -3.027 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.469 -1.532 -1.309 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.726 -1.668 -2.561 1.00 0.00 H new ATOM 2621 N ALA B 75 3.743 -1.560 2.415 1.00 0.00 N ATOM 2622 CA ALA B 75 3.741 -0.527 3.449 1.00 0.00 C ATOM 2623 C ALA B 75 4.627 0.661 3.048 1.00 0.00 C ATOM 2624 O ALA B 75 4.233 1.820 3.186 1.00 0.00 O ATOM 2625 CB ALA B 75 4.171 -1.115 4.797 1.00 0.00 C ATOM 0 H ALA B 75 4.128 -2.453 2.721 1.00 0.00 H new ATOM 0 HA ALA B 75 2.723 -0.152 3.554 1.00 0.00 H new ATOM 0 HB1 ALA B 75 4.164 -0.331 5.555 1.00 0.00 H new ATOM 0 HB2 ALA B 75 3.479 -1.906 5.086 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.177 -1.526 4.710 1.00 0.00 H new ATOM 2631 N PHE B 76 5.824 0.380 2.527 1.00 0.00 N ATOM 2632 CA PHE B 76 6.716 1.420 2.030 1.00 0.00 C ATOM 2633 C PHE B 76 6.023 2.170 0.887 1.00 0.00 C ATOM 2634 O PHE B 76 5.902 3.395 0.915 1.00 0.00 O ATOM 2635 CB PHE B 76 8.056 0.814 1.601 1.00 0.00 C ATOM 2636 CG PHE B 76 8.946 1.765 0.834 1.00 0.00 C ATOM 2637 CD1 PHE B 76 9.778 2.683 1.505 1.00 0.00 C ATOM 2638 CD2 PHE B 76 8.876 1.773 -0.572 1.00 0.00 C ATOM 2639 CE1 PHE B 76 10.557 3.588 0.758 1.00 0.00 C ATOM 2640 CE2 PHE B 76 9.629 2.695 -1.309 1.00 0.00 C ATOM 2641 CZ PHE B 76 10.479 3.597 -0.648 1.00 0.00 C ATOM 0 H PHE B 76 6.196 -0.566 2.440 1.00 0.00 H new ATOM 0 HA PHE B 76 6.935 2.137 2.822 1.00 0.00 H new ATOM 0 HB2 PHE B 76 8.588 0.471 2.488 1.00 0.00 H new ATOM 0 HB3 PHE B 76 7.865 -0.064 0.985 1.00 0.00 H new ATOM 0 HD1 PHE B 76 9.818 2.693 2.584 1.00 0.00 H new ATOM 0 HD2 PHE B 76 8.240 1.066 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.216 4.277 1.265 1.00 0.00 H new ATOM 0 HE2 PHE B 76 9.556 2.713 -2.386 1.00 0.00 H new ATOM 0 HZ PHE B 76 11.072 4.297 -1.218 1.00 0.00 H new ATOM 2651 N VAL B 77 5.507 1.428 -0.095 1.00 0.00 N ATOM 2652 CA VAL B 77 4.722 2.004 -1.177 1.00 0.00 C ATOM 2653 C VAL B 77 3.617 2.883 -0.592 1.00 0.00 C ATOM 2654 O VAL B 77 3.415 3.993 -1.074 1.00 0.00 O ATOM 2655 CB VAL B 77 4.155 0.892 -2.074 1.00 0.00 C ATOM 2656 CG1 VAL B 77 3.056 1.399 -3.022 1.00 0.00 C ATOM 2657 CG2 VAL B 77 5.264 0.265 -2.924 1.00 0.00 C ATOM 0 H VAL B 77 5.623 0.417 -0.158 1.00 0.00 H new ATOM 0 HA VAL B 77 5.358 2.631 -1.802 1.00 0.00 H new ATOM 0 HB VAL B 77 3.721 0.154 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.692 0.572 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL B 77 2.232 1.809 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL B 77 3.464 2.175 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.842 -0.520 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL B 77 5.716 1.031 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.025 -0.163 -2.271 1.00 0.00 H new ATOM 2667 N ALA B 78 2.915 2.424 0.445 1.00 0.00 N ATOM 2668 CA ALA B 78 1.837 3.184 1.052 1.00 0.00 C ATOM 2669 C ALA B 78 2.330 4.545 1.546 1.00 0.00 C ATOM 2670 O ALA B 78 1.744 5.556 1.160 1.00 0.00 O ATOM 2671 CB ALA B 78 1.126 2.380 2.145 1.00 0.00 C ATOM 0 H ALA B 78 3.082 1.517 0.882 1.00 0.00 H new ATOM 0 HA ALA B 78 1.090 3.381 0.283 1.00 0.00 H new ATOM 0 HB1 ALA B 78 0.325 2.981 2.576 1.00 0.00 H new ATOM 0 HB2 ALA B 78 0.706 1.472 1.713 1.00 0.00 H new ATOM 0 HB3 ALA B 78 1.840 2.114 2.924 1.00 0.00 H new ATOM 2677 N MET B 79 3.399 4.610 2.352 1.00 0.00 N ATOM 2678 CA MET B 79 3.871 5.915 2.829 1.00 0.00 C ATOM 2679 C MET B 79 4.213 6.839 1.655 1.00 0.00 C ATOM 2680 O MET B 79 3.798 7.998 1.620 1.00 0.00 O ATOM 2681 CB MET B 79 5.011 5.825 3.864 1.00 0.00 C ATOM 2682 CG MET B 79 6.359 5.282 3.379 1.00 0.00 C ATOM 2683 SD MET B 79 7.746 5.410 4.537 1.00 0.00 S ATOM 2684 CE MET B 79 7.200 4.299 5.843 1.00 0.00 C ATOM 0 H MET B 79 3.936 3.806 2.677 1.00 0.00 H new ATOM 0 HA MET B 79 3.040 6.362 3.374 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.176 6.822 4.272 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.671 5.197 4.687 1.00 0.00 H new ATOM 0 HG2 MET B 79 6.229 4.232 3.117 1.00 0.00 H new ATOM 0 HG3 MET B 79 6.629 5.808 2.463 1.00 0.00 H new ATOM 0 HE1 MET B 79 8.049 4.032 6.472 1.00 0.00 H new ATOM 0 HE2 MET B 79 6.441 4.795 6.449 1.00 0.00 H new ATOM 0 HE3 MET B 79 6.778 3.397 5.400 1.00 0.00 H new ATOM 2694 N ILE B 80 4.940 6.310 0.670 1.00 0.00 N ATOM 2695 CA ILE B 80 5.384 7.072 -0.491 1.00 0.00 C ATOM 2696 C ILE B 80 4.166 7.604 -1.260 1.00 0.00 C ATOM 2697 O ILE B 80 4.062 8.793 -1.564 1.00 0.00 O ATOM 2698 CB ILE B 80 6.278 6.165 -1.356 1.00 0.00 C ATOM 2699 CG1 ILE B 80 7.521 5.669 -0.591 1.00 0.00 C ATOM 2700 CG2 ILE B 80 6.672 6.838 -2.674 1.00 0.00 C ATOM 2701 CD1 ILE B 80 8.632 6.698 -0.394 1.00 0.00 C ATOM 0 H ILE B 80 5.238 5.334 0.658 1.00 0.00 H new ATOM 0 HA ILE B 80 5.970 7.940 -0.189 1.00 0.00 H new ATOM 0 HB ILE B 80 5.679 5.288 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.203 5.312 0.389 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.935 4.812 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE B 80 7.302 6.163 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.774 7.075 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE B 80 7.221 7.756 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE B 80 9.456 6.243 0.155 1.00 0.00 H new ATOM 0 HD12 ILE B 80 8.988 7.040 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE B 80 8.246 7.547 0.170 1.00 0.00 H new ATOM 2713 N THR B 81 3.222 6.711 -1.549 1.00 0.00 N ATOM 2714 CA THR B 81 1.974 7.023 -2.226 1.00 0.00 C ATOM 2715 C THR B 81 1.183 8.063 -1.428 1.00 0.00 C ATOM 2716 O THR B 81 0.570 8.948 -2.012 1.00 0.00 O ATOM 2717 CB THR B 81 1.168 5.727 -2.410 1.00 0.00 C ATOM 2718 OG1 THR B 81 1.920 4.804 -3.163 1.00 0.00 O ATOM 2719 CG2 THR B 81 -0.156 5.954 -3.133 1.00 0.00 C ATOM 0 H THR B 81 3.311 5.723 -1.310 1.00 0.00 H new ATOM 0 HA THR B 81 2.180 7.451 -3.207 1.00 0.00 H new ATOM 0 HB THR B 81 0.954 5.348 -1.411 1.00 0.00 H new ATOM 0 HG1 THR B 81 2.468 4.260 -2.560 1.00 0.00 H new ATOM 0 HG21 THR B 81 -0.682 5.005 -3.235 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.769 6.649 -2.560 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.036 6.370 -4.122 1.00 0.00 H new ATOM 2727 N THR B 82 1.189 7.971 -0.097 1.00 0.00 N ATOM 2728 CA THR B 82 0.512 8.940 0.754 1.00 0.00 C ATOM 2729 C THR B 82 1.185 10.311 0.637 1.00 0.00 C ATOM 2730 O THR B 82 0.504 11.318 0.462 1.00 0.00 O ATOM 2731 CB THR B 82 0.435 8.421 2.194 1.00 0.00 C ATOM 2732 OG1 THR B 82 -0.223 7.169 2.178 1.00 0.00 O ATOM 2733 CG2 THR B 82 -0.366 9.365 3.093 1.00 0.00 C ATOM 0 H THR B 82 1.661 7.226 0.415 1.00 0.00 H new ATOM 0 HA THR B 82 -0.517 9.071 0.418 1.00 0.00 H new ATOM 0 HB THR B 82 1.449 8.345 2.587 1.00 0.00 H new ATOM 0 HG1 THR B 82 0.394 6.479 1.855 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.398 8.963 4.106 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.110 10.345 3.107 1.00 0.00 H new ATOM 0 HG23 THR B 82 -1.381 9.460 2.708 1.00 0.00 H new ATOM 2741 N ALA B 83 2.519 10.368 0.689 1.00 0.00 N ATOM 2742 CA ALA B 83 3.230 11.623 0.470 1.00 0.00 C ATOM 2743 C ALA B 83 2.857 12.219 -0.893 1.00 0.00 C ATOM 2744 O ALA B 83 2.567 13.411 -1.011 1.00 0.00 O ATOM 2745 CB ALA B 83 4.741 11.401 0.590 1.00 0.00 C ATOM 0 H ALA B 83 3.120 9.566 0.879 1.00 0.00 H new ATOM 0 HA ALA B 83 2.933 12.339 1.237 1.00 0.00 H new ATOM 0 HB1 ALA B 83 5.262 12.344 0.425 1.00 0.00 H new ATOM 0 HB2 ALA B 83 4.976 11.027 1.586 1.00 0.00 H new ATOM 0 HB3 ALA B 83 5.062 10.674 -0.156 1.00 0.00 H new ATOM 2751 N CYS B 84 2.826 11.371 -1.922 1.00 0.00 N ATOM 2752 CA CYS B 84 2.426 11.795 -3.256 1.00 0.00 C ATOM 2753 C CYS B 84 0.991 12.331 -3.276 1.00 0.00 C ATOM 2754 O CYS B 84 0.754 13.439 -3.751 1.00 0.00 O ATOM 2755 CB CYS B 84 2.656 10.667 -4.253 1.00 0.00 C ATOM 2756 SG CYS B 84 2.080 11.208 -5.876 1.00 0.00 S ATOM 0 H CYS B 84 3.075 10.384 -1.852 1.00 0.00 H new ATOM 0 HA CYS B 84 3.053 12.632 -3.561 1.00 0.00 H new ATOM 0 HB2 CYS B 84 3.714 10.408 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS B 84 2.120 9.771 -3.941 1.00 0.00 H new ATOM 0 HG CYS B 84 2.687 12.309 -6.207 1.00 0.00 H new ATOM 2762 N HIS B 85 0.042 11.586 -2.704 1.00 0.00 N ATOM 2763 CA HIS B 85 -1.341 12.017 -2.520 1.00 0.00 C ATOM 2764 C HIS B 85 -1.383 13.401 -1.873 1.00 0.00 C ATOM 2765 O HIS B 85 -2.060 14.293 -2.377 1.00 0.00 O ATOM 2766 CB HIS B 85 -2.099 10.972 -1.695 1.00 0.00 C ATOM 2767 CG HIS B 85 -3.499 11.350 -1.274 1.00 0.00 C ATOM 2768 ND1 HIS B 85 -4.559 11.667 -2.098 1.00 0.00 N ATOM 2769 CD2 HIS B 85 -3.993 11.245 -0.001 1.00 0.00 C ATOM 2770 CE1 HIS B 85 -5.663 11.722 -1.334 1.00 0.00 C ATOM 2771 NE2 HIS B 85 -5.370 11.472 -0.047 1.00 0.00 N ATOM 0 H HIS B 85 0.220 10.646 -2.349 1.00 0.00 H new ATOM 0 HA HIS B 85 -1.833 12.100 -3.489 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -2.151 10.050 -2.273 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -1.518 10.754 -0.799 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -3.417 11.025 0.886 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -6.654 11.938 -1.705 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -6.021 11.452 0.738 1.00 0.00 H new ATOM 2779 N GLU B 86 -0.641 13.596 -0.780 1.00 0.00 N ATOM 2780 CA GLU B 86 -0.573 14.887 -0.112 1.00 0.00 C ATOM 2781 C GLU B 86 -0.143 16.001 -1.074 1.00 0.00 C ATOM 2782 O GLU B 86 -0.787 17.047 -1.084 1.00 0.00 O ATOM 2783 CB GLU B 86 0.313 14.816 1.139 1.00 0.00 C ATOM 2784 CG GLU B 86 -0.367 13.996 2.246 1.00 0.00 C ATOM 2785 CD GLU B 86 0.548 13.819 3.451 1.00 0.00 C ATOM 2786 OE1 GLU B 86 0.883 14.852 4.068 1.00 0.00 O ATOM 2787 OE2 GLU B 86 0.909 12.658 3.744 1.00 0.00 O ATOM 0 H GLU B 86 -0.078 12.868 -0.341 1.00 0.00 H new ATOM 0 HA GLU B 86 -1.578 15.143 0.224 1.00 0.00 H new ATOM 0 HB2 GLU B 86 1.273 14.366 0.885 1.00 0.00 H new ATOM 0 HB3 GLU B 86 0.519 15.823 1.501 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -1.286 14.493 2.556 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -0.649 13.018 1.855 1.00 0.00 H new ATOM 2794 N PHE B 87 0.898 15.804 -1.900 1.00 0.00 N ATOM 2795 CA PHE B 87 1.252 16.841 -2.876 1.00 0.00 C ATOM 2796 C PHE B 87 0.149 17.020 -3.917 1.00 0.00 C ATOM 2797 O PHE B 87 -0.165 18.141 -4.304 1.00 0.00 O ATOM 2798 CB PHE B 87 2.664 16.683 -3.480 1.00 0.00 C ATOM 2799 CG PHE B 87 2.907 15.720 -4.634 1.00 0.00 C ATOM 2800 CD1 PHE B 87 2.352 15.975 -5.906 1.00 0.00 C ATOM 2801 CD2 PHE B 87 3.971 14.800 -4.533 1.00 0.00 C ATOM 2802 CE1 PHE B 87 2.754 15.223 -7.025 1.00 0.00 C ATOM 2803 CE2 PHE B 87 4.407 14.081 -5.660 1.00 0.00 C ATOM 2804 CZ PHE B 87 3.785 14.279 -6.904 1.00 0.00 C ATOM 0 H PHE B 87 1.487 14.971 -1.913 1.00 0.00 H new ATOM 0 HA PHE B 87 1.318 17.778 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE B 87 2.984 17.671 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE B 87 3.330 16.388 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE B 87 1.613 16.754 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE B 87 4.456 14.646 -3.580 1.00 0.00 H new ATOM 0 HE1 PHE B 87 2.269 15.372 -7.978 1.00 0.00 H new ATOM 0 HE2 PHE B 87 5.220 13.376 -5.569 1.00 0.00 H new ATOM 0 HZ PHE B 87 4.099 13.707 -7.764 1.00 0.00 H new ATOM 2814 N PHE B 88 -0.446 15.913 -4.370 1.00 0.00 N ATOM 2815 CA PHE B 88 -1.532 15.921 -5.344 1.00 0.00 C ATOM 2816 C PHE B 88 -2.726 16.722 -4.825 1.00 0.00 C ATOM 2817 O PHE B 88 -3.415 17.377 -5.604 1.00 0.00 O ATOM 2818 CB PHE B 88 -1.967 14.478 -5.637 1.00 0.00 C ATOM 2819 CG PHE B 88 -1.577 13.967 -7.004 1.00 0.00 C ATOM 2820 CD1 PHE B 88 -0.275 13.491 -7.226 1.00 0.00 C ATOM 2821 CD2 PHE B 88 -2.535 13.909 -8.033 1.00 0.00 C ATOM 2822 CE1 PHE B 88 0.064 12.923 -8.467 1.00 0.00 C ATOM 2823 CE2 PHE B 88 -2.202 13.323 -9.268 1.00 0.00 C ATOM 2824 CZ PHE B 88 -0.903 12.826 -9.483 1.00 0.00 C ATOM 0 H PHE B 88 -0.181 14.977 -4.065 1.00 0.00 H new ATOM 0 HA PHE B 88 -1.173 16.393 -6.259 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -1.534 13.822 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -3.050 14.411 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE B 88 0.466 13.561 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -3.524 14.313 -7.875 1.00 0.00 H new ATOM 0 HE1 PHE B 88 1.067 12.561 -8.640 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -2.943 13.255 -10.051 1.00 0.00 H new ATOM 0 HZ PHE B 88 -0.649 12.370 -10.428 1.00 0.00 H new ATOM 3136 N PHE C 76 -16.683 -12.636 -2.645 1.00 0.00 N ATOM 3137 CA PHE C 76 -15.579 -11.711 -2.834 1.00 0.00 C ATOM 3138 C PHE C 76 -14.342 -12.219 -2.082 1.00 0.00 C ATOM 3139 O PHE C 76 -13.240 -12.263 -2.625 1.00 0.00 O ATOM 3140 CB PHE C 76 -16.038 -10.331 -2.336 1.00 0.00 C ATOM 3141 CG PHE C 76 -17.491 -10.025 -2.661 1.00 0.00 C ATOM 3142 CD1 PHE C 76 -17.917 -9.941 -4.000 1.00 0.00 C ATOM 3143 CD2 PHE C 76 -18.449 -10.125 -1.636 1.00 0.00 C ATOM 3144 CE1 PHE C 76 -19.290 -9.953 -4.305 1.00 0.00 C ATOM 3145 CE2 PHE C 76 -19.820 -10.154 -1.940 1.00 0.00 C ATOM 3146 CZ PHE C 76 -20.242 -10.064 -3.275 1.00 0.00 C ATOM 0 HA PHE C 76 -15.298 -11.633 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE C 76 -15.895 -10.277 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE C 76 -15.404 -9.563 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE C 76 -17.189 -9.867 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE C 76 -18.128 -10.180 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE C 76 -19.614 -9.877 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE C 76 -20.548 -10.245 -1.148 1.00 0.00 H new ATOM 0 HZ PHE C 76 -21.296 -10.080 -3.512 1.00 0.00 H new ATOM 3156 N LEU C 77 -14.521 -12.600 -0.814 1.00 0.00 N ATOM 3157 CA LEU C 77 -13.432 -12.956 0.085 1.00 0.00 C ATOM 3158 C LEU C 77 -12.871 -14.357 -0.179 1.00 0.00 C ATOM 3159 O LEU C 77 -11.851 -14.710 0.415 1.00 0.00 O ATOM 3160 CB LEU C 77 -13.863 -12.799 1.551 1.00 0.00 C ATOM 3161 CG LEU C 77 -14.376 -11.394 1.920 1.00 0.00 C ATOM 3162 CD1 LEU C 77 -14.619 -11.340 3.433 1.00 0.00 C ATOM 3163 CD2 LEU C 77 -13.402 -10.270 1.541 1.00 0.00 C ATOM 0 H LEU C 77 -15.442 -12.669 -0.382 1.00 0.00 H new ATOM 0 HA LEU C 77 -12.619 -12.259 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU C 77 -14.646 -13.526 1.766 1.00 0.00 H new ATOM 0 HB3 LEU C 77 -13.017 -13.043 2.193 1.00 0.00 H new ATOM 0 HG LEU C 77 -15.293 -11.230 1.353 1.00 0.00 H new ATOM 0 HD11 LEU C 77 -14.983 -10.350 3.708 1.00 0.00 H new ATOM 0 HD12 LEU C 77 -15.361 -12.089 3.709 1.00 0.00 H new ATOM 0 HD13 LEU C 77 -13.686 -11.543 3.959 1.00 0.00 H new ATOM 0 HD21 LEU C 77 -13.826 -9.308 1.829 1.00 0.00 H new ATOM 0 HD22 LEU C 77 -12.455 -10.419 2.060 1.00 0.00 H new ATOM 0 HD23 LEU C 77 -13.232 -10.284 0.464 1.00 0.00 H new ATOM 3588 N THR D 74 19.361 12.234 4.881 1.00 0.00 N ATOM 3589 CA THR D 74 18.587 13.458 4.767 1.00 0.00 C ATOM 3590 C THR D 74 18.203 13.756 3.318 1.00 0.00 C ATOM 3591 O THR D 74 17.043 14.069 3.054 1.00 0.00 O ATOM 3592 CB THR D 74 19.341 14.628 5.408 1.00 0.00 C ATOM 3593 OG1 THR D 74 20.606 14.823 4.814 1.00 0.00 O ATOM 3594 CG2 THR D 74 19.502 14.443 6.920 1.00 0.00 C ATOM 0 HA THR D 74 17.653 13.318 5.312 1.00 0.00 H new ATOM 0 HB THR D 74 18.734 15.516 5.232 1.00 0.00 H new ATOM 0 HG1 THR D 74 20.867 14.014 4.327 1.00 0.00 H new ATOM 0 HG21 THR D 74 20.042 15.294 7.335 1.00 0.00 H new ATOM 0 HG22 THR D 74 18.519 14.375 7.385 1.00 0.00 H new ATOM 0 HG23 THR D 74 20.061 13.528 7.117 1.00 0.00 H new ATOM 3602 N GLU D 75 19.149 13.617 2.382 1.00 0.00 N ATOM 3603 CA GLU D 75 18.938 13.890 0.963 1.00 0.00 C ATOM 3604 C GLU D 75 17.653 13.220 0.466 1.00 0.00 C ATOM 3605 O GLU D 75 16.897 13.810 -0.303 1.00 0.00 O ATOM 3606 CB GLU D 75 20.151 13.408 0.148 1.00 0.00 C ATOM 3607 CG GLU D 75 21.328 14.399 0.190 1.00 0.00 C ATOM 3608 CD GLU D 75 21.868 14.685 1.591 1.00 0.00 C ATOM 3609 OE1 GLU D 75 21.949 13.723 2.384 1.00 0.00 O ATOM 3610 OE2 GLU D 75 22.200 15.863 1.839 1.00 0.00 O ATOM 0 H GLU D 75 20.097 13.306 2.597 1.00 0.00 H new ATOM 0 HA GLU D 75 18.830 14.966 0.828 1.00 0.00 H new ATOM 0 HB2 GLU D 75 20.481 12.443 0.532 1.00 0.00 H new ATOM 0 HB3 GLU D 75 19.849 13.253 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU D 75 22.138 14.007 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU D 75 21.011 15.339 -0.262 1.00 0.00 H new ATOM 3617 N PHE D 76 17.402 11.999 0.935 1.00 0.00 N ATOM 3618 CA PHE D 76 16.220 11.228 0.601 1.00 0.00 C ATOM 3619 C PHE D 76 15.070 11.645 1.522 1.00 0.00 C ATOM 3620 O PHE D 76 14.001 12.052 1.066 1.00 0.00 O ATOM 3621 CB PHE D 76 16.554 9.735 0.727 1.00 0.00 C ATOM 3622 CG PHE D 76 17.842 9.340 0.023 1.00 0.00 C ATOM 3623 CD1 PHE D 76 17.835 9.020 -1.345 1.00 0.00 C ATOM 3624 CD2 PHE D 76 19.069 9.422 0.707 1.00 0.00 C ATOM 3625 CE1 PHE D 76 19.040 8.756 -2.014 1.00 0.00 C ATOM 3626 CE2 PHE D 76 20.275 9.162 0.036 1.00 0.00 C ATOM 3627 CZ PHE D 76 20.258 8.792 -1.318 1.00 0.00 C ATOM 0 H PHE D 76 18.033 11.513 1.572 1.00 0.00 H new ATOM 0 HA PHE D 76 15.904 11.417 -0.425 1.00 0.00 H new ATOM 0 HB2 PHE D 76 16.632 9.476 1.783 1.00 0.00 H new ATOM 0 HB3 PHE D 76 15.731 9.151 0.316 1.00 0.00 H new ATOM 0 HD1 PHE D 76 16.900 8.977 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE D 76 19.083 9.686 1.754 1.00 0.00 H new ATOM 0 HE1 PHE D 76 19.030 8.524 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE D 76 21.215 9.247 0.561 1.00 0.00 H new ATOM 0 HZ PHE D 76 21.178 8.536 -1.822 1.00 0.00 H new ATOM 3637 N LEU D 77 15.291 11.544 2.836 1.00 0.00 N ATOM 3638 CA LEU D 77 14.245 11.733 3.833 1.00 0.00 C ATOM 3639 C LEU D 77 13.648 13.143 3.830 1.00 0.00 C ATOM 3640 O LEU D 77 12.584 13.334 4.415 1.00 0.00 O ATOM 3641 CB LEU D 77 14.719 11.293 5.224 1.00 0.00 C ATOM 3642 CG LEU D 77 15.000 9.780 5.326 1.00 0.00 C ATOM 3643 CD1 LEU D 77 15.477 9.465 6.748 1.00 0.00 C ATOM 3644 CD2 LEU D 77 13.766 8.913 5.020 1.00 0.00 C ATOM 0 H LEU D 77 16.205 11.328 3.235 1.00 0.00 H new ATOM 0 HA LEU D 77 13.420 11.080 3.547 1.00 0.00 H new ATOM 0 HB2 LEU D 77 15.625 11.841 5.481 1.00 0.00 H new ATOM 0 HB3 LEU D 77 13.962 11.565 5.960 1.00 0.00 H new ATOM 0 HG LEU D 77 15.758 9.541 4.580 1.00 0.00 H new ATOM 0 HD11 LEU D 77 15.680 8.398 6.836 1.00 0.00 H new ATOM 0 HD12 LEU D 77 16.387 10.026 6.959 1.00 0.00 H new ATOM 0 HD13 LEU D 77 14.703 9.747 7.462 1.00 0.00 H new ATOM 0 HD21 LEU D 77 14.031 7.859 5.109 1.00 0.00 H new ATOM 0 HD22 LEU D 77 12.971 9.149 5.728 1.00 0.00 H new ATOM 0 HD23 LEU D 77 13.421 9.116 4.006 1.00 0.00 H new ATOM 3656 N ARG D 78 14.260 14.118 3.146 1.00 0.00 N ATOM 3657 CA ARG D 78 13.639 15.418 2.898 1.00 0.00 C ATOM 3658 C ARG D 78 12.186 15.240 2.445 1.00 0.00 C ATOM 3659 O ARG D 78 11.328 16.025 2.852 1.00 0.00 O ATOM 3660 CB ARG D 78 14.406 16.189 1.822 1.00 0.00 C ATOM 3661 CG ARG D 78 15.553 16.987 2.452 1.00 0.00 C ATOM 3662 CD ARG D 78 16.352 17.717 1.377 1.00 0.00 C ATOM 3663 NE ARG D 78 16.855 16.772 0.374 1.00 0.00 N ATOM 3664 CZ ARG D 78 17.258 17.079 -0.865 1.00 0.00 C ATOM 3665 NH1 ARG D 78 17.424 18.351 -1.238 1.00 0.00 N ATOM 3666 NH2 ARG D 78 17.476 16.079 -1.720 1.00 0.00 N ATOM 0 H ARG D 78 15.196 14.025 2.752 1.00 0.00 H new ATOM 0 HA ARG D 78 13.664 15.982 3.831 1.00 0.00 H new ATOM 0 HB2 ARG D 78 14.802 15.495 1.081 1.00 0.00 H new ATOM 0 HB3 ARG D 78 13.730 16.864 1.298 1.00 0.00 H new ATOM 0 HG2 ARG D 78 15.153 17.706 3.167 1.00 0.00 H new ATOM 0 HG3 ARG D 78 16.208 16.316 3.007 1.00 0.00 H new ATOM 0 HD2 ARG D 78 15.723 18.466 0.895 1.00 0.00 H new ATOM 0 HD3 ARG D 78 17.187 18.248 1.835 1.00 0.00 H new ATOM 0 HE ARG D 78 16.902 15.790 0.646 1.00 0.00 H new ATOM 0 HH11 ARG D 78 17.243 19.105 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG D 78 17.732 18.569 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG D 78 17.335 15.114 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG D 78 17.784 16.280 -2.672 1.00 0.00 H new