USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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: A 1 MET N :NH3+ -118:sc= 0.307 (180deg=-0.00118) USER MOD Set 1.2: A 33 ASN :FLIP amide:sc= 0.249 F(o=-1.1,f=0.56) USER MOD Single : A 1 MET CE :methyl 159:sc= -1.84 (180deg=-3.54!) USER MOD Single : A 3 ASN : amide:sc= 0.25 K(o=0.25,f=-1.4!) USER MOD Single : A 4 MET CE :methyl -119:sc= -2.39 (180deg=-8.69!) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.16) USER MOD Single : A 9 SER OG : rot 41:sc= 0.0307 USER MOD Single : A 10 MET CE :methyl 169:sc= -0.532 (180deg=-0.998) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -68:sc= 0.319 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.57 USER MOD Single : A 22 CYS SG : rot -61:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 106:sc= 0.711 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.312 K(o=0.31,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.99) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.066) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0851) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -160:sc=-0.000856 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= 1.98 (180deg=0.477) USER MOD Single : A 63 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.39) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.1!) USER MOD Single : A 69 TYR OH : rot -159:sc= 0.537 USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.884) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.048) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.0936 K(o=0.094,f=-3.1!) USER MOD Single : A 91 SER OG : rot 2:sc= 0.0972 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 15.697 -1.541 6.348 1.00 0.00 N ATOM 26 CA MET A 1 14.411 -2.125 6.693 1.00 0.00 C ATOM 27 C MET A 1 14.419 -3.573 6.249 1.00 0.00 C ATOM 28 O MET A 1 14.977 -3.874 5.192 1.00 0.00 O ATOM 29 CB MET A 1 13.287 -1.401 5.954 1.00 0.00 C ATOM 30 CG MET A 1 11.914 -1.909 6.426 1.00 0.00 C ATOM 31 SD MET A 1 11.612 -1.702 8.210 1.00 0.00 S ATOM 32 CE MET A 1 10.244 -2.857 8.525 1.00 0.00 C ATOM 0 H1 MET A 1 16.183 -1.234 7.215 1.00 0.00 H new ATOM 0 H2 MET A 1 16.279 -2.249 5.857 1.00 0.00 H new ATOM 0 H3 MET A 1 15.550 -0.721 5.725 1.00 0.00 H new ATOM 0 HA MET A 1 14.248 -2.040 7.767 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.363 -0.328 6.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.390 -1.559 4.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.135 -1.383 5.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.824 -2.966 6.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.214 -3.105 9.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.302 -2.393 8.234 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.395 -3.767 7.944 1.00 0.00 H new ATOM 42 N ILE A 2 13.747 -4.428 7.015 1.00 0.00 N ATOM 43 CA ILE A 2 13.687 -5.859 6.809 1.00 0.00 C ATOM 44 C ILE A 2 12.244 -6.271 7.082 1.00 0.00 C ATOM 45 O ILE A 2 11.649 -5.789 8.043 1.00 0.00 O ATOM 46 CB ILE A 2 14.634 -6.555 7.806 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.085 -6.013 7.747 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.583 -8.071 7.593 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.030 -6.572 8.814 1.00 0.00 C ATOM 0 H ILE A 2 13.210 -4.123 7.827 1.00 0.00 H new ATOM 0 HA ILE A 2 13.989 -6.138 5.800 1.00 0.00 H new ATOM 0 HB ILE A 2 14.282 -6.325 8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.500 -6.235 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.055 -4.928 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.254 -8.560 8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.565 -8.427 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.894 -8.306 6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.020 -6.133 8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.646 -6.327 9.804 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.098 -7.655 8.709 1.00 0.00 H new ATOM 61 N ASN A 3 11.729 -7.235 6.321 1.00 0.00 N ATOM 62 CA ASN A 3 10.409 -7.825 6.487 1.00 0.00 C ATOM 63 C ASN A 3 9.311 -6.744 6.537 1.00 0.00 C ATOM 64 O ASN A 3 8.514 -6.692 7.479 1.00 0.00 O ATOM 65 CB ASN A 3 10.392 -8.854 7.639 1.00 0.00 C ATOM 66 CG ASN A 3 9.403 -9.990 7.376 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.209 -9.770 7.208 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.858 -11.232 7.316 1.00 0.00 N ATOM 0 H ASN A 3 12.245 -7.641 5.540 1.00 0.00 H new ATOM 0 HA ASN A 3 10.164 -8.412 5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.392 -9.267 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.129 -8.352 8.570 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.215 -12.002 7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.851 -11.419 7.455 1.00 0.00 H new ATOM 75 N MET A 4 9.279 -5.847 5.540 1.00 0.00 N ATOM 76 CA MET A 4 8.258 -4.806 5.381 1.00 0.00 C ATOM 77 C MET A 4 7.445 -5.099 4.129 1.00 0.00 C ATOM 78 O MET A 4 7.999 -5.395 3.073 1.00 0.00 O ATOM 79 CB MET A 4 8.902 -3.415 5.274 1.00 0.00 C ATOM 80 CG MET A 4 7.907 -2.248 5.118 1.00 0.00 C ATOM 81 SD MET A 4 8.202 -0.772 6.148 1.00 0.00 S ATOM 82 CE MET A 4 9.343 0.272 5.189 1.00 0.00 C ATOM 0 H MET A 4 9.983 -5.827 4.803 1.00 0.00 H new ATOM 0 HA MET A 4 7.609 -4.809 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.506 -3.241 6.164 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.581 -3.410 4.422 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.908 -1.938 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.907 -2.622 5.339 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.268 0.410 5.749 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.564 -0.210 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.882 1.242 5.006 1.00 0.00 H new ATOM 92 N LYS A 5 6.131 -4.929 4.224 1.00 0.00 N ATOM 93 CA LYS A 5 5.158 -5.100 3.142 1.00 0.00 C ATOM 94 C LYS A 5 4.242 -3.912 3.186 1.00 0.00 C ATOM 95 O LYS A 5 4.001 -3.310 4.224 1.00 0.00 O ATOM 96 CB LYS A 5 4.359 -6.399 3.397 1.00 0.00 C ATOM 97 CG LYS A 5 5.133 -7.659 2.995 1.00 0.00 C ATOM 98 CD LYS A 5 4.637 -8.967 3.621 1.00 0.00 C ATOM 99 CE LYS A 5 3.527 -9.653 2.826 1.00 0.00 C ATOM 100 NZ LYS A 5 3.958 -10.251 1.542 1.00 0.00 N ATOM 0 H LYS A 5 5.689 -4.654 5.101 1.00 0.00 H new ATOM 0 HA LYS A 5 5.642 -5.171 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.099 -6.459 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.423 -6.360 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.093 -7.758 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.180 -7.522 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.478 -9.653 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.275 -8.762 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.087 -10.435 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.741 -8.925 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.162 -10.765 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.271 -9.498 0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.744 -10.910 1.713 1.00 0.00 H new ATOM 114 N VAL A 6 3.690 -3.589 2.042 1.00 0.00 N ATOM 115 CA VAL A 6 2.834 -2.450 1.834 1.00 0.00 C ATOM 116 C VAL A 6 1.870 -2.910 0.790 1.00 0.00 C ATOM 117 O VAL A 6 2.300 -3.571 -0.156 1.00 0.00 O ATOM 118 CB VAL A 6 3.619 -1.257 1.277 1.00 0.00 C ATOM 119 CG1 VAL A 6 2.841 -0.056 0.761 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.799 -0.882 2.137 1.00 0.00 C ATOM 0 H VAL A 6 3.832 -4.138 1.194 1.00 0.00 H new ATOM 0 HA VAL A 6 2.367 -2.125 2.764 1.00 0.00 H new ATOM 0 HB VAL A 6 3.998 -1.666 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.537 0.702 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.190 -0.368 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.237 0.360 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.317 -0.032 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.452 -0.615 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.483 -1.728 2.205 1.00 0.00 H new ATOM 130 N ALA A 7 0.610 -2.521 0.916 1.00 0.00 N ATOM 131 CA ALA A 7 -0.339 -2.798 -0.130 1.00 0.00 C ATOM 132 C ALA A 7 -0.381 -1.595 -1.054 1.00 0.00 C ATOM 133 O ALA A 7 -1.103 -0.636 -0.789 1.00 0.00 O ATOM 134 CB ALA A 7 -1.723 -3.112 0.459 1.00 0.00 C ATOM 0 H ALA A 7 0.234 -2.021 1.722 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.035 -3.679 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.424 -3.318 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.652 -3.984 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.076 -2.257 1.036 1.00 0.00 H new ATOM 140 N ILE A 8 0.410 -1.644 -2.119 1.00 0.00 N ATOM 141 CA ILE A 8 0.501 -0.615 -3.128 1.00 0.00 C ATOM 142 C ILE A 8 -0.676 -0.864 -4.097 1.00 0.00 C ATOM 143 O ILE A 8 -0.638 -1.777 -4.914 1.00 0.00 O ATOM 144 CB ILE A 8 1.953 -0.628 -3.702 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.943 -0.097 -2.663 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.978 0.266 -4.959 1.00 0.00 C ATOM 147 CD1 ILE A 8 4.374 0.147 -3.165 1.00 0.00 C ATOM 0 H ILE A 8 1.026 -2.435 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 8 0.379 0.412 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 8 2.244 -1.648 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.554 0.840 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.985 -0.804 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.983 0.274 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.278 -0.125 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.690 1.282 -4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.988 0.522 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.794 -0.788 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.357 0.881 -3.971 1.00 0.00 H new ATOM 159 N SER A 9 -1.786 -0.141 -3.943 1.00 0.00 N ATOM 160 CA SER A 9 -3.010 -0.270 -4.744 1.00 0.00 C ATOM 161 C SER A 9 -2.823 0.180 -6.211 1.00 0.00 C ATOM 162 O SER A 9 -2.500 1.341 -6.472 1.00 0.00 O ATOM 163 CB SER A 9 -4.118 0.533 -4.046 1.00 0.00 C ATOM 164 OG SER A 9 -3.706 1.832 -3.654 1.00 0.00 O ATOM 0 H SER A 9 -1.863 0.582 -3.227 1.00 0.00 H new ATOM 0 HA SER A 9 -3.283 -1.324 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.973 0.617 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.455 -0.015 -3.166 1.00 0.00 H new ATOM 0 HG SER A 9 -3.156 2.228 -4.362 1.00 0.00 H new ATOM 170 N MET A 10 -3.112 -0.680 -7.193 1.00 0.00 N ATOM 171 CA MET A 10 -2.812 -0.453 -8.610 1.00 0.00 C ATOM 172 C MET A 10 -4.055 -0.564 -9.494 1.00 0.00 C ATOM 173 O MET A 10 -5.063 -1.157 -9.098 1.00 0.00 O ATOM 174 CB MET A 10 -1.796 -1.492 -9.098 1.00 0.00 C ATOM 175 CG MET A 10 -0.533 -1.615 -8.244 1.00 0.00 C ATOM 176 SD MET A 10 1.031 -1.870 -9.130 1.00 0.00 S ATOM 177 CE MET A 10 1.097 -0.410 -10.204 1.00 0.00 C ATOM 0 H MET A 10 -3.572 -1.574 -7.020 1.00 0.00 H new ATOM 0 HA MET A 10 -2.415 0.559 -8.688 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.285 -2.465 -9.138 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.504 -1.241 -10.117 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.440 -0.710 -7.643 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.671 -2.445 -7.551 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.086 -0.335 -10.656 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.345 -0.501 -10.988 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.899 0.485 -9.614 1.00 0.00 H new ATOM 187 N ASP A 11 -3.958 -0.018 -10.710 1.00 0.00 N ATOM 188 CA ASP A 11 -4.945 -0.188 -11.783 1.00 0.00 C ATOM 189 C ASP A 11 -4.470 -1.274 -12.742 1.00 0.00 C ATOM 190 O ASP A 11 -5.105 -2.316 -12.889 1.00 0.00 O ATOM 191 CB ASP A 11 -5.147 1.133 -12.542 1.00 0.00 C ATOM 192 CG ASP A 11 -6.520 1.168 -13.229 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.744 0.470 -14.238 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.407 1.899 -12.732 1.00 0.00 O ATOM 0 H ASP A 11 -3.171 0.570 -10.983 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.899 -0.482 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.061 1.971 -11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.360 1.253 -13.287 1.00 0.00 H new ATOM 199 N VAL A 12 -3.311 -1.061 -13.366 1.00 0.00 N ATOM 200 CA VAL A 12 -2.695 -2.001 -14.287 1.00 0.00 C ATOM 201 C VAL A 12 -1.198 -1.804 -14.071 1.00 0.00 C ATOM 202 O VAL A 12 -0.538 -2.592 -13.389 1.00 0.00 O ATOM 203 CB VAL A 12 -3.155 -1.741 -15.753 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.613 -2.828 -16.685 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.675 -1.648 -15.961 1.00 0.00 C ATOM 0 H VAL A 12 -2.766 -0.208 -13.238 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.983 -3.036 -14.105 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.746 -0.759 -15.990 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.944 -2.631 -17.705 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.524 -2.827 -16.650 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.985 -3.801 -16.364 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.888 -1.466 -17.014 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.142 -2.583 -15.653 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.075 -0.829 -15.363 1.00 0.00 H new ATOM 215 N ASP A 13 -0.694 -0.674 -14.569 1.00 0.00 N ATOM 216 CA ASP A 13 0.728 -0.389 -14.720 1.00 0.00 C ATOM 217 C ASP A 13 1.139 0.885 -13.973 1.00 0.00 C ATOM 218 O ASP A 13 2.316 1.227 -13.914 1.00 0.00 O ATOM 219 CB ASP A 13 1.031 -0.395 -16.229 1.00 0.00 C ATOM 220 CG ASP A 13 2.350 0.243 -16.663 1.00 0.00 C ATOM 221 OD1 ASP A 13 3.416 -0.386 -16.497 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.266 1.325 -17.296 1.00 0.00 O ATOM 0 H ASP A 13 -1.287 0.092 -14.888 1.00 0.00 H new ATOM 0 HA ASP A 13 1.346 -1.154 -14.249 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.022 -1.429 -16.574 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.218 0.119 -16.742 1.00 0.00 H new ATOM 227 N LYS A 14 0.188 1.545 -13.296 1.00 0.00 N ATOM 228 CA LYS A 14 0.474 2.575 -12.305 1.00 0.00 C ATOM 229 C LYS A 14 -0.443 2.426 -11.100 1.00 0.00 C ATOM 230 O LYS A 14 -1.329 1.560 -11.071 1.00 0.00 O ATOM 231 CB LYS A 14 0.374 3.984 -12.916 1.00 0.00 C ATOM 232 CG LYS A 14 -1.053 4.365 -13.354 1.00 0.00 C ATOM 233 CD LYS A 14 -1.206 4.356 -14.871 1.00 0.00 C ATOM 234 CE LYS A 14 -0.470 5.544 -15.496 1.00 0.00 C ATOM 235 NZ LYS A 14 -0.556 5.505 -16.964 1.00 0.00 N ATOM 0 H LYS A 14 -0.809 1.372 -13.427 1.00 0.00 H new ATOM 0 HA LYS A 14 1.502 2.443 -11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.729 4.713 -12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.038 4.045 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.766 3.668 -12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.298 5.356 -12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.812 3.424 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.263 4.397 -15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.898 6.476 -15.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.576 5.531 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.049 6.321 -17.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.126 4.625 -17.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.554 5.541 -17.254 1.00 0.00 H new ATOM 249 N ILE A 15 -0.217 3.309 -10.132 1.00 0.00 N ATOM 250 CA ILE A 15 -1.033 3.506 -8.949 1.00 0.00 C ATOM 251 C ILE A 15 -2.491 3.717 -9.373 1.00 0.00 C ATOM 252 O ILE A 15 -2.770 4.401 -10.359 1.00 0.00 O ATOM 253 CB ILE A 15 -0.487 4.709 -8.142 1.00 0.00 C ATOM 254 CG1 ILE A 15 1.044 4.602 -7.933 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.191 4.774 -6.783 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.695 5.649 -7.024 1.00 0.00 C ATOM 0 H ILE A 15 0.585 3.938 -10.158 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.993 2.627 -8.305 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.686 5.619 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.262 3.615 -7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.524 4.656 -8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.807 5.621 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.264 4.895 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.004 3.852 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.767 5.461 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.524 6.644 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.258 5.588 -6.027 1.00 0.00 H new ATOM 268 N SER A 16 -3.400 3.123 -8.607 1.00 0.00 N ATOM 269 CA SER A 16 -4.838 3.245 -8.772 1.00 0.00 C ATOM 270 C SER A 16 -5.359 4.645 -8.447 1.00 0.00 C ATOM 271 O SER A 16 -4.685 5.427 -7.776 1.00 0.00 O ATOM 272 CB SER A 16 -5.515 2.252 -7.831 1.00 0.00 C ATOM 273 OG SER A 16 -5.102 2.432 -6.486 1.00 0.00 O ATOM 0 H SER A 16 -3.142 2.521 -7.825 1.00 0.00 H new ATOM 0 HA SER A 16 -5.066 3.044 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.597 2.369 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.284 1.235 -8.149 1.00 0.00 H new ATOM 0 HG SER A 16 -4.158 2.183 -6.397 1.00 0.00 H new ATOM 279 N ASN A 17 -6.606 4.915 -8.839 1.00 0.00 N ATOM 280 CA ASN A 17 -7.347 6.126 -8.518 1.00 0.00 C ATOM 281 C ASN A 17 -7.691 6.218 -7.029 1.00 0.00 C ATOM 282 O ASN A 17 -7.486 7.282 -6.440 1.00 0.00 O ATOM 283 CB ASN A 17 -8.626 6.181 -9.355 1.00 0.00 C ATOM 284 CG ASN A 17 -9.359 7.499 -9.166 1.00 0.00 C ATOM 285 OD1 ASN A 17 -10.420 7.562 -8.566 1.00 0.00 O ATOM 286 ND2 ASN A 17 -8.823 8.583 -9.698 1.00 0.00 N ATOM 0 H ASN A 17 -7.145 4.266 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.709 6.977 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.379 6.049 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.281 5.356 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.296 9.482 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.936 8.521 -10.198 1.00 0.00 H new ATOM 293 N SER A 18 -8.193 5.137 -6.422 1.00 0.00 N ATOM 294 CA SER A 18 -8.465 5.030 -4.991 1.00 0.00 C ATOM 295 C SER A 18 -8.508 3.549 -4.589 1.00 0.00 C ATOM 296 O SER A 18 -8.562 2.669 -5.446 1.00 0.00 O ATOM 297 CB SER A 18 -9.775 5.759 -4.650 1.00 0.00 C ATOM 298 OG SER A 18 -9.970 5.770 -3.262 1.00 0.00 O ATOM 0 H SER A 18 -8.428 4.286 -6.934 1.00 0.00 H new ATOM 0 HA SER A 18 -7.669 5.509 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.742 6.780 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.614 5.265 -5.140 1.00 0.00 H new ATOM 0 HG SER A 18 -10.805 6.238 -3.053 1.00 0.00 H new ATOM 304 N PHE A 19 -8.513 3.272 -3.284 1.00 0.00 N ATOM 305 CA PHE A 19 -8.511 1.941 -2.676 1.00 0.00 C ATOM 306 C PHE A 19 -9.780 1.164 -3.044 1.00 0.00 C ATOM 307 O PHE A 19 -9.764 -0.056 -3.182 1.00 0.00 O ATOM 308 CB PHE A 19 -8.425 2.112 -1.152 1.00 0.00 C ATOM 309 CG PHE A 19 -8.115 0.864 -0.353 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.111 -0.101 -0.120 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.834 0.683 0.198 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.826 -1.255 0.626 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.543 -0.479 0.927 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.534 -1.453 1.141 1.00 0.00 C ATOM 0 H PHE A 19 -8.519 4.013 -2.583 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.658 1.374 -3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.659 2.857 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.373 2.517 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.104 0.047 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.075 1.438 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.598 -1.989 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.551 -0.627 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.303 -2.349 1.698 1.00 0.00 H new ATOM 324 N GLU A 20 -10.899 1.862 -3.193 1.00 0.00 N ATOM 325 CA GLU A 20 -12.178 1.306 -3.624 1.00 0.00 C ATOM 326 C GLU A 20 -12.478 1.726 -5.061 1.00 0.00 C ATOM 327 O GLU A 20 -13.629 1.756 -5.485 1.00 0.00 O ATOM 328 CB GLU A 20 -13.247 1.702 -2.598 1.00 0.00 C ATOM 329 CG GLU A 20 -13.723 0.485 -1.804 1.00 0.00 C ATOM 330 CD GLU A 20 -14.978 -0.196 -2.357 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.218 -0.194 -3.576 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.731 -0.725 -1.501 1.00 0.00 O ATOM 0 H GLU A 20 -10.944 2.865 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.157 0.217 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.842 2.450 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.094 2.161 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.916 -0.247 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.917 0.793 -0.777 1.00 0.00 H new ATOM 339 N ASP A 21 -11.439 2.040 -5.830 1.00 0.00 N ATOM 340 CA ASP A 21 -11.493 2.091 -7.289 1.00 0.00 C ATOM 341 C ASP A 21 -10.202 1.501 -7.873 1.00 0.00 C ATOM 342 O ASP A 21 -9.698 1.967 -8.895 1.00 0.00 O ATOM 343 CB ASP A 21 -11.770 3.526 -7.757 1.00 0.00 C ATOM 344 CG ASP A 21 -12.152 3.609 -9.240 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.508 2.589 -9.876 1.00 0.00 O ATOM 346 OD2 ASP A 21 -12.108 4.733 -9.788 1.00 0.00 O ATOM 0 H ASP A 21 -10.520 2.270 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.317 1.481 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.575 3.949 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.885 4.137 -7.581 1.00 0.00 H new ATOM 351 N CYS A 22 -9.605 0.513 -7.189 1.00 0.00 N ATOM 352 CA CYS A 22 -8.381 -0.151 -7.625 1.00 0.00 C ATOM 353 C CYS A 22 -8.699 -1.564 -8.092 1.00 0.00 C ATOM 354 O CYS A 22 -9.776 -2.102 -7.834 1.00 0.00 O ATOM 355 CB CYS A 22 -7.286 -0.138 -6.544 1.00 0.00 C ATOM 356 SG CYS A 22 -7.717 -1.109 -5.085 1.00 0.00 S ATOM 0 H CYS A 22 -9.969 0.153 -6.307 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.974 0.412 -8.465 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.360 -0.525 -6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -7.093 0.892 -6.243 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.784 -0.613 -4.533 1.00 0.00 H new ATOM 362 N LYS A 23 -7.744 -2.153 -8.806 1.00 0.00 N ATOM 363 CA LYS A 23 -7.907 -3.424 -9.494 1.00 0.00 C ATOM 364 C LYS A 23 -7.135 -4.512 -8.766 1.00 0.00 C ATOM 365 O LYS A 23 -7.546 -5.671 -8.834 1.00 0.00 O ATOM 366 CB LYS A 23 -7.394 -3.271 -10.932 1.00 0.00 C ATOM 367 CG LYS A 23 -8.366 -2.587 -11.911 1.00 0.00 C ATOM 368 CD LYS A 23 -8.888 -1.186 -11.546 1.00 0.00 C ATOM 369 CE LYS A 23 -9.930 -0.696 -12.552 1.00 0.00 C ATOM 370 NZ LYS A 23 -11.301 -1.136 -12.186 1.00 0.00 N ATOM 0 H LYS A 23 -6.815 -1.748 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.959 -3.708 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.466 -2.700 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.150 -4.260 -11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.871 -2.518 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.228 -3.242 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.327 -1.209 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.055 -0.484 -11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.900 0.392 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.681 -1.071 -13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.979 -0.784 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.337 -2.175 -12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.549 -0.757 -11.250 1.00 0.00 H new ATOM 384 N TYR A 24 -6.037 -4.165 -8.086 1.00 0.00 N ATOM 385 CA TYR A 24 -5.327 -5.089 -7.218 1.00 0.00 C ATOM 386 C TYR A 24 -4.444 -4.359 -6.210 1.00 0.00 C ATOM 387 O TYR A 24 -4.107 -3.184 -6.384 1.00 0.00 O ATOM 388 CB TYR A 24 -4.495 -6.061 -8.051 1.00 0.00 C ATOM 389 CG TYR A 24 -3.281 -5.502 -8.741 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.414 -4.805 -9.953 1.00 0.00 C ATOM 391 CD2 TYR A 24 -2.007 -5.783 -8.235 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.272 -4.441 -10.687 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.872 -5.395 -8.929 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.990 -4.744 -10.177 1.00 0.00 C ATOM 395 OH TYR A 24 0.116 -4.483 -10.921 1.00 0.00 O ATOM 0 H TYR A 24 -5.622 -3.234 -8.127 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.072 -5.649 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.171 -6.873 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.144 -6.499 -8.809 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.396 -4.548 -10.322 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.907 -6.307 -7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.374 -3.933 -11.635 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.106 -5.591 -8.514 1.00 0.00 H new ATOM 0 HH TYR A 24 0.578 -3.699 -10.556 1.00 0.00 H new ATOM 405 N PHE A 25 -4.034 -5.089 -5.176 1.00 0.00 N ATOM 406 CA PHE A 25 -3.133 -4.669 -4.124 1.00 0.00 C ATOM 407 C PHE A 25 -1.786 -5.326 -4.386 1.00 0.00 C ATOM 408 O PHE A 25 -1.646 -6.542 -4.241 1.00 0.00 O ATOM 409 CB PHE A 25 -3.712 -5.070 -2.761 1.00 0.00 C ATOM 410 CG PHE A 25 -5.008 -4.360 -2.428 1.00 0.00 C ATOM 411 CD1 PHE A 25 -5.023 -2.962 -2.251 1.00 0.00 C ATOM 412 CD2 PHE A 25 -6.210 -5.090 -2.351 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.239 -2.297 -2.019 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.420 -4.424 -2.076 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.434 -3.028 -1.928 1.00 0.00 C ATOM 0 H PHE A 25 -4.347 -6.051 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.007 -3.586 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.882 -6.147 -2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.978 -4.855 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.100 -2.402 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.204 -6.159 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.254 -1.223 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.337 -4.987 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.366 -2.515 -1.744 1.00 0.00 H new ATOM 425 N LEU A 26 -0.808 -4.534 -4.821 1.00 0.00 N ATOM 426 CA LEU A 26 0.571 -4.959 -4.980 1.00 0.00 C ATOM 427 C LEU A 26 1.183 -5.043 -3.577 1.00 0.00 C ATOM 428 O LEU A 26 1.603 -4.022 -3.035 1.00 0.00 O ATOM 429 CB LEU A 26 1.332 -3.994 -5.907 1.00 0.00 C ATOM 430 CG LEU A 26 2.620 -4.512 -6.564 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.627 -5.119 -5.624 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.456 -5.603 -7.625 1.00 0.00 C ATOM 0 H LEU A 26 -0.961 -3.559 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 26 0.635 -5.937 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.652 -3.682 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.582 -3.102 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 26 2.955 -3.570 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.497 -5.452 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.934 -4.374 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.179 -5.971 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.435 -5.884 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.979 -6.475 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.837 -5.228 -8.440 1.00 0.00 H new ATOM 444 N ILE A 27 1.172 -6.212 -2.933 1.00 0.00 N ATOM 445 CA ILE A 27 1.794 -6.421 -1.629 1.00 0.00 C ATOM 446 C ILE A 27 3.314 -6.439 -1.813 1.00 0.00 C ATOM 447 O ILE A 27 3.907 -7.464 -2.138 1.00 0.00 O ATOM 448 CB ILE A 27 1.271 -7.671 -0.888 1.00 0.00 C ATOM 449 CG1 ILE A 27 -0.254 -7.876 -1.028 1.00 0.00 C ATOM 450 CG2 ILE A 27 1.681 -7.597 0.590 1.00 0.00 C ATOM 451 CD1 ILE A 27 -1.121 -6.731 -0.484 1.00 0.00 C ATOM 0 H ILE A 27 0.725 -7.048 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 27 1.516 -5.593 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 27 1.729 -8.541 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.490 -8.019 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.530 -8.796 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.313 -8.479 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.768 -7.558 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.254 -6.701 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.174 -6.971 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.923 -6.598 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.882 -5.810 -1.015 1.00 0.00 H new ATOM 463 N VAL A 28 3.948 -5.284 -1.677 1.00 0.00 N ATOM 464 CA VAL A 28 5.377 -5.095 -1.894 1.00 0.00 C ATOM 465 C VAL A 28 6.183 -5.900 -0.841 1.00 0.00 C ATOM 466 O VAL A 28 5.591 -6.318 0.149 1.00 0.00 O ATOM 467 CB VAL A 28 5.632 -3.570 -1.855 1.00 0.00 C ATOM 468 CG1 VAL A 28 5.839 -3.089 -0.469 1.00 0.00 C ATOM 469 CG2 VAL A 28 6.799 -3.031 -2.681 1.00 0.00 C ATOM 0 H VAL A 28 3.469 -4.426 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 28 5.712 -5.477 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 28 4.719 -3.189 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.015 -2.013 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.953 -3.306 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.701 -3.594 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.861 -1.949 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.728 -3.488 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.642 -3.271 -3.733 1.00 0.00 H new ATOM 479 N ARG A 29 7.500 -6.115 -0.995 1.00 0.00 N ATOM 480 CA ARG A 29 8.390 -6.650 0.051 1.00 0.00 C ATOM 481 C ARG A 29 9.729 -5.892 0.058 1.00 0.00 C ATOM 482 O ARG A 29 10.378 -5.755 -0.984 1.00 0.00 O ATOM 483 CB ARG A 29 8.616 -8.173 -0.112 1.00 0.00 C ATOM 484 CG ARG A 29 8.070 -8.991 1.071 1.00 0.00 C ATOM 485 CD ARG A 29 8.904 -10.260 1.321 1.00 0.00 C ATOM 486 NE ARG A 29 8.268 -11.198 2.264 1.00 0.00 N ATOM 487 CZ ARG A 29 7.914 -10.981 3.537 1.00 0.00 C ATOM 488 NH1 ARG A 29 8.139 -9.826 4.148 1.00 0.00 N ATOM 489 NH2 ARG A 29 7.275 -11.946 4.181 1.00 0.00 N ATOM 0 H ARG A 29 7.987 -5.918 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 29 7.901 -6.498 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.137 -8.510 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.683 -8.367 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.068 -8.374 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.035 -9.269 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.073 -10.768 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.882 -9.974 1.708 1.00 0.00 H new ATOM 0 HE ARG A 29 8.073 -12.131 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.597 -9.065 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.854 -9.699 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.066 -12.824 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.992 -11.811 5.152 1.00 0.00 H new ATOM 503 N ILE A 30 10.136 -5.387 1.227 1.00 0.00 N ATOM 504 CA ILE A 30 11.397 -4.689 1.459 1.00 0.00 C ATOM 505 C ILE A 30 12.124 -5.430 2.566 1.00 0.00 C ATOM 506 O ILE A 30 11.701 -5.417 3.724 1.00 0.00 O ATOM 507 CB ILE A 30 11.191 -3.198 1.803 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.523 -2.446 0.638 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.498 -2.489 2.195 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.078 -2.074 0.974 1.00 0.00 C ATOM 0 H ILE A 30 9.568 -5.459 2.071 1.00 0.00 H new ATOM 0 HA ILE A 30 11.993 -4.688 0.546 1.00 0.00 H new ATOM 0 HB ILE A 30 10.533 -3.179 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.090 -1.543 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.542 -3.067 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.290 -1.444 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.927 -2.976 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.204 -2.544 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.633 -1.544 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.506 -2.980 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.063 -1.432 1.855 1.00 0.00 H new ATOM 522 N ASP A 31 13.221 -6.078 2.191 1.00 0.00 N ATOM 523 CA ASP A 31 13.928 -7.033 3.041 1.00 0.00 C ATOM 524 C ASP A 31 15.341 -6.574 3.337 1.00 0.00 C ATOM 525 O ASP A 31 15.977 -7.109 4.242 1.00 0.00 O ATOM 526 CB ASP A 31 13.926 -8.424 2.400 1.00 0.00 C ATOM 527 CG ASP A 31 12.492 -8.925 2.334 1.00 0.00 C ATOM 528 OD1 ASP A 31 11.776 -8.524 1.391 1.00 0.00 O ATOM 529 OD2 ASP A 31 12.005 -9.532 3.319 1.00 0.00 O ATOM 0 H ASP A 31 13.652 -5.954 1.275 1.00 0.00 H new ATOM 0 HA ASP A 31 13.399 -7.090 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.358 -8.381 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.540 -9.110 2.983 1.00 0.00 H new ATOM 534 N ASP A 32 15.813 -5.574 2.592 1.00 0.00 N ATOM 535 CA ASP A 32 17.063 -4.888 2.884 1.00 0.00 C ATOM 536 C ASP A 32 17.027 -3.510 2.229 1.00 0.00 C ATOM 537 O ASP A 32 17.755 -3.199 1.288 1.00 0.00 O ATOM 538 CB ASP A 32 18.262 -5.765 2.448 1.00 0.00 C ATOM 539 CG ASP A 32 19.390 -5.794 3.476 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.525 -4.838 4.266 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.115 -6.824 3.488 1.00 0.00 O ATOM 0 H ASP A 32 15.333 -5.218 1.765 1.00 0.00 H new ATOM 0 HA ASP A 32 17.190 -4.730 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.914 -6.783 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.652 -5.392 1.501 1.00 0.00 H new ATOM 546 N ASN A 33 16.081 -2.696 2.706 1.00 0.00 N ATOM 547 CA ASN A 33 15.861 -1.288 2.350 1.00 0.00 C ATOM 548 C ASN A 33 15.712 -0.985 0.848 1.00 0.00 C ATOM 549 O ASN A 33 15.817 0.169 0.445 1.00 0.00 O ATOM 550 CB ASN A 33 16.922 -0.403 3.027 1.00 0.00 C ATOM 551 CG ASN A 33 16.372 0.949 3.464 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.452 0.948 4.417 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 16.795 1.995 2.998 1.00 0.00 N flip ATOM 0 H ASN A 33 15.404 -3.022 3.396 1.00 0.00 H new ATOM 0 HA ASN A 33 14.874 -1.040 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.323 -0.925 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.752 -0.247 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.504 1.977 2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.440 2.887 3.342 1.00 0.00 H new ATOM 560 N GLU A 34 15.414 -1.988 0.022 1.00 0.00 N ATOM 561 CA GLU A 34 15.040 -1.858 -1.383 1.00 0.00 C ATOM 562 C GLU A 34 13.918 -2.852 -1.676 1.00 0.00 C ATOM 563 O GLU A 34 13.629 -3.722 -0.848 1.00 0.00 O ATOM 564 CB GLU A 34 16.232 -2.187 -2.292 1.00 0.00 C ATOM 565 CG GLU A 34 17.422 -1.227 -2.186 1.00 0.00 C ATOM 566 CD GLU A 34 18.321 -1.313 -3.425 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.510 -2.441 -3.955 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.795 -0.251 -3.890 1.00 0.00 O ATOM 0 H GLU A 34 15.428 -2.960 0.331 1.00 0.00 H new ATOM 0 HA GLU A 34 14.720 -0.834 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.577 -3.194 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.887 -2.199 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.059 -0.206 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.004 -1.463 -1.295 1.00 0.00 H new ATOM 575 N VAL A 35 13.315 -2.767 -2.865 1.00 0.00 N ATOM 576 CA VAL A 35 12.438 -3.812 -3.374 1.00 0.00 C ATOM 577 C VAL A 35 13.268 -5.089 -3.561 1.00 0.00 C ATOM 578 O VAL A 35 14.201 -5.148 -4.371 1.00 0.00 O ATOM 579 CB VAL A 35 11.684 -3.329 -4.633 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.575 -2.951 -5.823 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.617 -4.350 -5.060 1.00 0.00 C ATOM 0 H VAL A 35 13.424 -1.973 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 35 11.646 -4.051 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 35 11.206 -2.398 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.951 -2.625 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.245 -2.141 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.163 -3.817 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.100 -3.987 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.095 -5.304 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.898 -4.484 -4.252 1.00 0.00 H new ATOM 591 N LYS A 36 12.971 -6.113 -2.760 1.00 0.00 N ATOM 592 CA LYS A 36 13.582 -7.433 -2.919 1.00 0.00 C ATOM 593 C LYS A 36 12.566 -8.386 -3.532 1.00 0.00 C ATOM 594 O LYS A 36 12.917 -9.142 -4.440 1.00 0.00 O ATOM 595 CB LYS A 36 14.160 -7.937 -1.588 1.00 0.00 C ATOM 596 CG LYS A 36 15.636 -7.542 -1.384 1.00 0.00 C ATOM 597 CD LYS A 36 15.949 -6.038 -1.395 1.00 0.00 C ATOM 598 CE LYS A 36 17.420 -5.770 -1.060 1.00 0.00 C ATOM 599 NZ LYS A 36 18.310 -5.806 -2.245 1.00 0.00 N ATOM 0 H LYS A 36 12.306 -6.052 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 36 14.429 -7.371 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.566 -7.538 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.071 -9.023 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.971 -7.954 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.228 -8.020 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.716 -5.624 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.311 -5.527 -0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.504 -4.794 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.761 -6.510 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.289 -5.617 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.257 -6.744 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.009 -5.082 -2.928 1.00 0.00 H new ATOM 613 N SER A 37 11.304 -8.302 -3.127 1.00 0.00 N ATOM 614 CA SER A 37 10.210 -9.094 -3.671 1.00 0.00 C ATOM 615 C SER A 37 8.951 -8.227 -3.671 1.00 0.00 C ATOM 616 O SER A 37 8.994 -7.099 -3.188 1.00 0.00 O ATOM 617 CB SER A 37 10.013 -10.384 -2.854 1.00 0.00 C ATOM 618 OG SER A 37 10.886 -10.513 -1.747 1.00 0.00 O ATOM 0 H SER A 37 11.006 -7.663 -2.390 1.00 0.00 H new ATOM 0 HA SER A 37 10.436 -9.402 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.984 -10.420 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.151 -11.242 -3.512 1.00 0.00 H new ATOM 0 HG SER A 37 10.699 -11.354 -1.279 1.00 0.00 H new ATOM 624 N THR A 38 7.835 -8.735 -4.197 1.00 0.00 N ATOM 625 CA THR A 38 6.535 -8.068 -4.293 1.00 0.00 C ATOM 626 C THR A 38 5.435 -9.149 -4.486 1.00 0.00 C ATOM 627 O THR A 38 5.749 -10.349 -4.508 1.00 0.00 O ATOM 628 CB THR A 38 6.594 -6.996 -5.411 1.00 0.00 C ATOM 629 OG1 THR A 38 7.508 -7.327 -6.444 1.00 0.00 O ATOM 630 CG2 THR A 38 6.974 -5.581 -4.895 1.00 0.00 C ATOM 0 H THR A 38 7.813 -9.676 -4.590 1.00 0.00 H new ATOM 0 HA THR A 38 6.280 -7.530 -3.380 1.00 0.00 H new ATOM 0 HB THR A 38 5.576 -6.979 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.505 -6.620 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.996 -4.882 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.236 -5.250 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.957 -5.617 -4.426 1.00 0.00 H new ATOM 638 N LYS A 39 4.143 -8.788 -4.539 1.00 0.00 N ATOM 639 CA LYS A 39 2.996 -9.699 -4.670 1.00 0.00 C ATOM 640 C LYS A 39 1.791 -8.973 -5.224 1.00 0.00 C ATOM 641 O LYS A 39 1.699 -7.777 -5.070 1.00 0.00 O ATOM 642 CB LYS A 39 2.543 -10.193 -3.280 1.00 0.00 C ATOM 643 CG LYS A 39 2.272 -11.695 -3.152 1.00 0.00 C ATOM 644 CD LYS A 39 3.368 -12.403 -2.354 1.00 0.00 C ATOM 645 CE LYS A 39 4.242 -13.363 -3.167 1.00 0.00 C ATOM 646 NZ LYS A 39 3.484 -14.553 -3.600 1.00 0.00 N ATOM 0 H LYS A 39 3.857 -7.810 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 39 3.320 -10.512 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.308 -9.920 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.635 -9.656 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.309 -11.851 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.202 -12.138 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.010 -11.649 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.903 -12.960 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.637 -12.845 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.097 -13.674 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.107 -15.181 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.128 -15.061 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.682 -14.257 -4.193 1.00 0.00 H new ATOM 660 N VAL A 40 0.780 -9.680 -5.696 1.00 0.00 N ATOM 661 CA VAL A 40 -0.559 -9.252 -5.989 1.00 0.00 C ATOM 662 C VAL A 40 -1.695 -10.123 -5.468 1.00 0.00 C ATOM 663 O VAL A 40 -1.616 -11.351 -5.466 1.00 0.00 O ATOM 664 CB VAL A 40 -0.553 -8.691 -7.401 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.305 -9.335 -8.457 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.973 -8.806 -8.023 1.00 0.00 C ATOM 0 H VAL A 40 0.899 -10.672 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.875 -8.424 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.156 -7.695 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.182 -8.802 -9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.350 -9.295 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.004 -10.375 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.961 -8.402 -9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.273 -9.853 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.683 -8.243 -7.416 1.00 0.00 H new ATOM 676 N ILE A 41 -2.738 -9.420 -5.021 1.00 0.00 N ATOM 677 CA ILE A 41 -4.060 -9.872 -4.625 1.00 0.00 C ATOM 678 C ILE A 41 -5.023 -8.961 -5.403 1.00 0.00 C ATOM 679 O ILE A 41 -4.963 -7.747 -5.197 1.00 0.00 O ATOM 680 CB ILE A 41 -4.231 -9.673 -3.094 1.00 0.00 C ATOM 681 CG1 ILE A 41 -3.157 -10.392 -2.238 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.646 -10.113 -2.683 1.00 0.00 C ATOM 683 CD1 ILE A 41 -3.295 -10.111 -0.733 1.00 0.00 C ATOM 0 H ILE A 41 -2.660 -8.408 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.238 -10.926 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.089 -8.611 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.225 -11.466 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.167 -10.079 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.772 -9.976 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.383 -9.511 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.787 -11.164 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.514 -10.643 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.197 -9.041 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.272 -10.450 -0.388 1.00 0.00 H new ATOM 695 N PHE A 42 -5.866 -9.491 -6.295 1.00 0.00 N ATOM 696 CA PHE A 42 -6.853 -8.680 -7.020 1.00 0.00 C ATOM 697 C PHE A 42 -7.904 -8.074 -6.069 1.00 0.00 C ATOM 698 O PHE A 42 -8.144 -8.585 -4.969 1.00 0.00 O ATOM 699 CB PHE A 42 -7.554 -9.513 -8.109 1.00 0.00 C ATOM 700 CG PHE A 42 -6.658 -10.066 -9.207 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.835 -9.202 -9.949 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.650 -11.441 -9.508 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.953 -9.706 -10.918 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.808 -11.938 -10.521 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.943 -11.076 -11.214 1.00 0.00 C ATOM 0 H PHE A 42 -5.885 -10.482 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.309 -7.862 -7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.063 -10.348 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.323 -8.895 -8.572 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.881 -8.138 -9.772 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.291 -12.116 -8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.281 -9.037 -11.436 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.828 -12.989 -10.767 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.276 -11.465 -11.969 1.00 0.00 H new ATOM 715 N ASN A 43 -8.566 -6.997 -6.508 1.00 0.00 N ATOM 716 CA ASN A 43 -9.673 -6.379 -5.784 1.00 0.00 C ATOM 717 C ASN A 43 -10.940 -7.205 -5.989 1.00 0.00 C ATOM 718 O ASN A 43 -11.690 -6.975 -6.939 1.00 0.00 O ATOM 719 CB ASN A 43 -9.949 -4.936 -6.225 1.00 0.00 C ATOM 720 CG ASN A 43 -11.074 -4.324 -5.392 1.00 0.00 C ATOM 721 OD1 ASN A 43 -11.409 -4.785 -4.294 1.00 0.00 O ATOM 722 ND2 ASN A 43 -11.667 -3.260 -5.884 1.00 0.00 N ATOM 0 H ASN A 43 -8.342 -6.528 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.385 -6.352 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.044 -4.338 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.220 -4.918 -7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.413 -2.804 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.381 -2.890 -6.791 1.00 0.00 H new ATOM 729 N ASP A 44 -11.175 -8.187 -5.124 1.00 0.00 N ATOM 730 CA ASP A 44 -12.237 -9.169 -5.341 1.00 0.00 C ATOM 731 C ASP A 44 -12.904 -9.605 -4.042 1.00 0.00 C ATOM 732 O ASP A 44 -13.374 -10.730 -3.898 1.00 0.00 O ATOM 733 CB ASP A 44 -11.660 -10.343 -6.122 1.00 0.00 C ATOM 734 CG ASP A 44 -12.713 -11.087 -6.931 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.706 -10.493 -7.415 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.474 -12.294 -7.147 1.00 0.00 O ATOM 0 H ASP A 44 -10.644 -8.326 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.034 -8.709 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.882 -9.980 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.184 -11.036 -5.428 1.00 0.00 H new ATOM 741 N GLU A 45 -12.921 -8.695 -3.067 1.00 0.00 N ATOM 742 CA GLU A 45 -13.649 -8.763 -1.807 1.00 0.00 C ATOM 743 C GLU A 45 -12.984 -9.728 -0.817 1.00 0.00 C ATOM 744 O GLU A 45 -12.590 -9.284 0.265 1.00 0.00 O ATOM 745 CB GLU A 45 -15.142 -9.058 -2.066 1.00 0.00 C ATOM 746 CG GLU A 45 -16.057 -8.478 -0.980 1.00 0.00 C ATOM 747 CD GLU A 45 -16.043 -6.947 -0.994 1.00 0.00 C ATOM 748 OE1 GLU A 45 -16.612 -6.373 -1.954 1.00 0.00 O ATOM 749 OE2 GLU A 45 -15.426 -6.354 -0.077 1.00 0.00 O ATOM 0 H GLU A 45 -12.386 -7.830 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.606 -7.789 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.427 -8.646 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.291 -10.136 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.076 -8.835 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.736 -8.837 -0.002 1.00 0.00 H new ATOM 756 N SER A 46 -12.769 -10.997 -1.186 1.00 0.00 N ATOM 757 CA SER A 46 -11.900 -11.935 -0.462 1.00 0.00 C ATOM 758 C SER A 46 -10.466 -11.394 -0.425 1.00 0.00 C ATOM 759 O SER A 46 -9.760 -11.613 0.557 1.00 0.00 O ATOM 760 CB SER A 46 -11.934 -13.300 -1.162 1.00 0.00 C ATOM 761 OG SER A 46 -11.227 -14.273 -0.414 1.00 0.00 O ATOM 0 H SER A 46 -13.202 -11.409 -2.012 1.00 0.00 H new ATOM 0 HA SER A 46 -12.256 -12.048 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.968 -13.619 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.497 -13.213 -2.157 1.00 0.00 H new ATOM 0 HG SER A 46 -11.264 -15.134 -0.880 1.00 0.00 H new ATOM 767 N GLY A 47 -10.065 -10.604 -1.430 1.00 0.00 N ATOM 768 CA GLY A 47 -8.746 -9.998 -1.483 1.00 0.00 C ATOM 769 C GLY A 47 -8.419 -9.269 -0.182 1.00 0.00 C ATOM 770 O GLY A 47 -7.374 -9.514 0.416 1.00 0.00 O ATOM 0 H GLY A 47 -10.656 -10.372 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.997 -10.768 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.698 -9.298 -2.317 1.00 0.00 H new ATOM 774 N LYS A 48 -9.328 -8.414 0.302 1.00 0.00 N ATOM 775 CA LYS A 48 -9.149 -7.671 1.551 1.00 0.00 C ATOM 776 C LYS A 48 -8.904 -8.619 2.728 1.00 0.00 C ATOM 777 O LYS A 48 -8.046 -8.327 3.554 1.00 0.00 O ATOM 778 CB LYS A 48 -10.372 -6.770 1.806 1.00 0.00 C ATOM 779 CG LYS A 48 -10.411 -5.530 0.889 1.00 0.00 C ATOM 780 CD LYS A 48 -11.840 -5.066 0.556 1.00 0.00 C ATOM 781 CE LYS A 48 -12.643 -4.673 1.803 1.00 0.00 C ATOM 782 NZ LYS A 48 -14.066 -4.412 1.495 1.00 0.00 N ATOM 0 H LYS A 48 -10.213 -8.218 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.266 -7.039 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.282 -7.352 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.366 -6.445 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.874 -4.713 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.884 -5.755 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.792 -4.215 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.363 -5.864 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.574 -5.470 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.201 -3.783 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.607 -4.351 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.150 -3.515 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.443 -5.186 0.912 1.00 0.00 H new ATOM 796 N LYS A 49 -9.583 -9.768 2.799 1.00 0.00 N ATOM 797 CA LYS A 49 -9.352 -10.766 3.832 1.00 0.00 C ATOM 798 C LYS A 49 -7.908 -11.261 3.818 1.00 0.00 C ATOM 799 O LYS A 49 -7.297 -11.355 4.884 1.00 0.00 O ATOM 800 CB LYS A 49 -10.325 -11.941 3.640 1.00 0.00 C ATOM 801 CG LYS A 49 -11.325 -12.030 4.787 1.00 0.00 C ATOM 802 CD LYS A 49 -12.191 -13.283 4.653 1.00 0.00 C ATOM 803 CE LYS A 49 -13.464 -13.020 3.872 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.451 -12.189 4.588 1.00 0.00 N ATOM 0 H LYS A 49 -10.312 -10.028 2.134 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.529 -10.303 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.860 -11.822 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.763 -12.873 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.794 -12.049 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.958 -11.143 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.618 -14.067 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.446 -13.654 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.206 -12.530 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.925 -13.974 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.366 -12.235 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.563 -12.542 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.121 -11.203 4.614 1.00 0.00 H new ATOM 818 N SER A 50 -7.376 -11.600 2.643 1.00 0.00 N ATOM 819 CA SER A 50 -6.015 -12.096 2.505 1.00 0.00 C ATOM 820 C SER A 50 -4.974 -11.043 2.910 1.00 0.00 C ATOM 821 O SER A 50 -3.953 -11.410 3.496 1.00 0.00 O ATOM 822 CB SER A 50 -5.801 -12.587 1.072 1.00 0.00 C ATOM 823 OG SER A 50 -6.534 -13.777 0.858 1.00 0.00 O ATOM 0 H SER A 50 -7.882 -11.536 1.760 1.00 0.00 H new ATOM 0 HA SER A 50 -5.876 -12.932 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.119 -11.821 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.741 -12.765 0.894 1.00 0.00 H new ATOM 0 HG SER A 50 -6.395 -14.086 -0.062 1.00 0.00 H new ATOM 829 N ILE A 51 -5.231 -9.746 2.677 1.00 0.00 N ATOM 830 CA ILE A 51 -4.346 -8.654 3.107 1.00 0.00 C ATOM 831 C ILE A 51 -4.105 -8.732 4.613 1.00 0.00 C ATOM 832 O ILE A 51 -2.984 -8.502 5.072 1.00 0.00 O ATOM 833 CB ILE A 51 -4.948 -7.276 2.750 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.100 -7.103 1.231 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.126 -6.093 3.277 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.782 -5.788 0.861 1.00 0.00 C ATOM 0 H ILE A 51 -6.063 -9.425 2.182 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.398 -8.765 2.581 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.922 -7.267 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.116 -7.143 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.678 -7.935 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.608 -5.158 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.063 -6.149 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.123 -6.130 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.865 -5.714 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.777 -5.757 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.191 -4.953 1.237 1.00 0.00 H new ATOM 848 N VAL A 52 -5.138 -9.047 5.400 1.00 0.00 N ATOM 849 CA VAL A 52 -5.013 -9.113 6.849 1.00 0.00 C ATOM 850 C VAL A 52 -3.874 -10.076 7.217 1.00 0.00 C ATOM 851 O VAL A 52 -2.992 -9.707 7.996 1.00 0.00 O ATOM 852 CB VAL A 52 -6.363 -9.485 7.497 1.00 0.00 C ATOM 853 CG1 VAL A 52 -6.236 -9.418 9.019 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.501 -8.545 7.059 1.00 0.00 C ATOM 0 H VAL A 52 -6.072 -9.260 5.050 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.752 -8.133 7.249 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.610 -10.495 7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.190 -9.681 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.470 -10.118 9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.958 -8.407 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.430 -8.848 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.259 -7.522 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.621 -8.598 5.977 1.00 0.00 H new ATOM 864 N LYS A 53 -3.841 -11.262 6.603 1.00 0.00 N ATOM 865 CA LYS A 53 -2.853 -12.289 6.916 1.00 0.00 C ATOM 866 C LYS A 53 -1.501 -12.068 6.230 1.00 0.00 C ATOM 867 O LYS A 53 -0.522 -12.694 6.641 1.00 0.00 O ATOM 868 CB LYS A 53 -3.425 -13.676 6.582 1.00 0.00 C ATOM 869 CG LYS A 53 -4.266 -14.273 7.724 1.00 0.00 C ATOM 870 CD LYS A 53 -5.639 -13.612 7.898 1.00 0.00 C ATOM 871 CE LYS A 53 -6.531 -14.411 8.857 1.00 0.00 C ATOM 872 NZ LYS A 53 -6.992 -15.694 8.288 1.00 0.00 N ATOM 0 H LYS A 53 -4.501 -11.534 5.874 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.650 -12.223 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.041 -13.602 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.604 -14.355 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.407 -15.338 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.710 -14.183 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.510 -12.599 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.129 -13.529 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.981 -14.606 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.398 -13.807 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.732 -16.098 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.377 -15.533 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.192 -16.356 8.230 1.00 0.00 H new ATOM 886 N GLU A 54 -1.386 -11.175 5.240 1.00 0.00 N ATOM 887 CA GLU A 54 -0.092 -10.851 4.637 1.00 0.00 C ATOM 888 C GLU A 54 0.859 -10.199 5.644 1.00 0.00 C ATOM 889 O GLU A 54 2.063 -10.201 5.405 1.00 0.00 O ATOM 890 CB GLU A 54 -0.264 -9.884 3.455 1.00 0.00 C ATOM 891 CG GLU A 54 -0.745 -10.531 2.156 1.00 0.00 C ATOM 892 CD GLU A 54 0.259 -11.518 1.550 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.401 -11.131 1.226 1.00 0.00 O ATOM 894 OE2 GLU A 54 -0.128 -12.696 1.358 1.00 0.00 O ATOM 0 H GLU A 54 -2.174 -10.665 4.841 1.00 0.00 H new ATOM 0 HA GLU A 54 0.332 -11.795 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.973 -9.107 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.690 -9.391 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.683 -11.052 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.957 -9.748 1.427 1.00 0.00 H new ATOM 901 N ASN A 55 0.342 -9.650 6.750 1.00 0.00 N ATOM 902 CA ASN A 55 1.070 -8.790 7.684 1.00 0.00 C ATOM 903 C ASN A 55 1.657 -7.608 6.919 1.00 0.00 C ATOM 904 O ASN A 55 2.869 -7.388 6.907 1.00 0.00 O ATOM 905 CB ASN A 55 2.130 -9.560 8.493 1.00 0.00 C ATOM 906 CG ASN A 55 1.571 -10.815 9.133 1.00 0.00 C ATOM 907 OD1 ASN A 55 0.422 -10.852 9.567 1.00 0.00 O ATOM 908 ND2 ASN A 55 2.328 -11.892 9.148 1.00 0.00 N ATOM 0 H ASN A 55 -0.628 -9.799 7.027 1.00 0.00 H new ATOM 0 HA ASN A 55 0.371 -8.410 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.959 -9.828 7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.534 -8.909 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.962 -12.767 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.280 -11.851 8.785 1.00 0.00 H new ATOM 915 N VAL A 56 0.794 -6.859 6.230 1.00 0.00 N ATOM 916 CA VAL A 56 1.214 -5.610 5.625 1.00 0.00 C ATOM 917 C VAL A 56 1.563 -4.642 6.771 1.00 0.00 C ATOM 918 O VAL A 56 0.938 -4.676 7.834 1.00 0.00 O ATOM 919 CB VAL A 56 0.103 -5.021 4.739 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.693 -4.041 3.750 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.642 -6.003 3.835 1.00 0.00 C ATOM 0 H VAL A 56 -0.187 -7.098 6.082 1.00 0.00 H new ATOM 0 HA VAL A 56 2.078 -5.775 4.981 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.585 -4.606 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.101 -3.630 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.187 -3.233 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.420 -4.553 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.399 -5.468 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.064 -6.476 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.123 -6.767 4.446 1.00 0.00 H new ATOM 931 N ASN A 57 2.550 -3.789 6.528 1.00 0.00 N ATOM 932 CA ASN A 57 3.050 -2.721 7.384 1.00 0.00 C ATOM 933 C ASN A 57 2.317 -1.410 7.092 1.00 0.00 C ATOM 934 O ASN A 57 2.012 -0.645 8.004 1.00 0.00 O ATOM 935 CB ASN A 57 4.550 -2.565 7.088 1.00 0.00 C ATOM 936 CG ASN A 57 5.372 -2.455 8.341 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.578 -3.424 9.068 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.913 -1.293 8.570 1.00 0.00 N ATOM 0 H ASN A 57 3.066 -3.831 5.649 1.00 0.00 H new ATOM 0 HA ASN A 57 2.884 -2.965 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.893 -3.420 6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.706 -1.677 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.529 -1.167 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.721 -0.509 7.946 1.00 0.00 H new ATOM 945 N ALA A 58 2.009 -1.162 5.812 1.00 0.00 N ATOM 946 CA ALA A 58 1.463 0.100 5.332 1.00 0.00 C ATOM 947 C ALA A 58 0.549 -0.078 4.113 1.00 0.00 C ATOM 948 O ALA A 58 0.545 -1.113 3.459 1.00 0.00 O ATOM 949 CB ALA A 58 2.633 1.023 4.991 1.00 0.00 C ATOM 0 H ALA A 58 2.138 -1.852 5.072 1.00 0.00 H new ATOM 0 HA ALA A 58 0.842 0.532 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.250 1.977 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.237 1.190 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.247 0.561 4.218 1.00 0.00 H new ATOM 955 N ILE A 59 -0.193 0.950 3.732 1.00 0.00 N ATOM 956 CA ILE A 59 -0.938 1.032 2.481 1.00 0.00 C ATOM 957 C ILE A 59 -0.466 2.351 1.885 1.00 0.00 C ATOM 958 O ILE A 59 -0.655 3.373 2.539 1.00 0.00 O ATOM 959 CB ILE A 59 -2.460 1.087 2.780 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.924 -0.173 3.532 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.275 1.272 1.488 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.335 -0.115 4.128 1.00 0.00 C ATOM 0 H ILE A 59 -0.298 1.785 4.308 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.777 0.182 1.818 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.636 1.951 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.874 -1.020 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.218 -0.372 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.337 1.307 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.982 2.204 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.083 0.437 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.555 -1.055 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.394 0.705 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.060 0.047 3.331 1.00 0.00 H new ATOM 974 N ILE A 60 0.154 2.388 0.706 1.00 0.00 N ATOM 975 CA ILE A 60 0.278 3.652 -0.006 1.00 0.00 C ATOM 976 C ILE A 60 -0.916 3.617 -0.953 1.00 0.00 C ATOM 977 O ILE A 60 -1.136 2.583 -1.590 1.00 0.00 O ATOM 978 CB ILE A 60 1.628 3.721 -0.738 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.841 3.441 0.178 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.819 5.126 -1.351 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.128 3.180 -0.614 1.00 0.00 C ATOM 0 H ILE A 60 0.566 1.581 0.237 1.00 0.00 H new ATOM 0 HA ILE A 60 0.268 4.537 0.630 1.00 0.00 H new ATOM 0 HB ILE A 60 1.594 2.944 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.994 4.291 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.625 2.578 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.777 5.170 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.015 5.327 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.800 5.874 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.949 2.989 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.988 2.313 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.363 4.052 -1.224 1.00 0.00 H new ATOM 993 N CYS A 61 -1.699 4.689 -1.053 1.00 0.00 N ATOM 994 CA CYS A 61 -2.795 4.784 -2.011 1.00 0.00 C ATOM 995 C CYS A 61 -2.939 6.240 -2.446 1.00 0.00 C ATOM 996 O CYS A 61 -2.346 7.137 -1.842 1.00 0.00 O ATOM 997 CB CYS A 61 -4.084 4.172 -1.443 1.00 0.00 C ATOM 998 SG CYS A 61 -4.521 4.819 0.198 1.00 0.00 S ATOM 0 H CYS A 61 -1.590 5.518 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.576 4.195 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.905 4.365 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.968 3.090 -1.381 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.336 3.995 0.787 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.645 6.492 -3.550 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.028 7.860 -3.885 1.00 0.00 C ATOM 1006 C LYS A 62 -5.166 8.292 -2.975 1.00 0.00 C ATOM 1007 O LYS A 62 -5.167 9.416 -2.502 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.460 7.980 -5.349 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.274 7.966 -6.319 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.743 8.438 -7.700 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.626 8.458 -8.737 1.00 0.00 C ATOM 1012 NZ LYS A 62 -1.727 9.611 -8.551 1.00 0.00 N ATOM 0 H LYS A 62 -3.956 5.782 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.163 8.507 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.133 7.158 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.023 8.904 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.480 8.616 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.857 6.961 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.542 7.784 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.166 9.439 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.051 7.534 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.059 8.492 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.482 10.013 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.204 10.334 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.860 9.301 -8.068 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.124 7.409 -2.707 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.337 7.744 -1.973 1.00 0.00 C ATOM 1028 C ASN A 63 -7.881 6.450 -1.388 1.00 0.00 C ATOM 1029 O ASN A 63 -7.361 5.376 -1.714 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.338 8.445 -2.915 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.212 9.956 -2.779 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.284 10.477 -1.673 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.971 10.690 -3.852 1.00 0.00 N ATOM 0 H ASN A 63 -6.078 6.432 -2.997 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.143 8.443 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.149 8.148 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.355 8.134 -2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.843 11.698 -3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.913 10.248 -4.770 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.877 6.529 -0.504 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.361 5.393 0.271 1.00 0.00 C ATOM 1042 C ILE A 64 -10.747 5.689 0.880 1.00 0.00 C ATOM 1043 O ILE A 64 -10.891 6.668 1.615 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.281 5.001 1.315 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.768 3.843 2.210 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.747 6.200 2.126 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.672 3.288 3.124 1.00 0.00 C ATOM 0 H ILE A 64 -9.375 7.397 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.516 4.528 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.419 4.640 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.601 4.190 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.148 3.039 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.996 5.853 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.298 6.926 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.569 6.668 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.078 2.476 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.848 2.912 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.308 4.080 3.779 1.00 0.00 H new ATOM 1059 N SER A 65 -11.754 4.840 0.617 1.00 0.00 N ATOM 1060 CA SER A 65 -13.081 4.940 1.234 1.00 0.00 C ATOM 1061 C SER A 65 -12.991 5.041 2.758 1.00 0.00 C ATOM 1062 O SER A 65 -12.203 4.328 3.381 1.00 0.00 O ATOM 1063 CB SER A 65 -13.955 3.731 0.866 1.00 0.00 C ATOM 1064 OG SER A 65 -14.505 3.837 -0.432 1.00 0.00 O ATOM 0 H SER A 65 -11.666 4.060 -0.035 1.00 0.00 H new ATOM 0 HA SER A 65 -13.537 5.851 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.358 2.822 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.762 3.635 1.593 1.00 0.00 H new ATOM 0 HG SER A 65 -15.051 3.045 -0.622 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.856 5.870 3.348 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.940 6.140 4.778 1.00 0.00 C ATOM 1072 C GLU A 66 -14.011 4.852 5.607 1.00 0.00 C ATOM 1073 O GLU A 66 -13.259 4.743 6.581 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.112 7.105 5.058 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.310 7.370 6.563 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.628 8.825 6.919 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -16.482 9.467 6.275 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -15.033 9.320 7.908 1.00 0.00 O ATOM 0 H GLU A 66 -14.548 6.394 2.812 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.021 6.632 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.930 8.050 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.029 6.688 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.119 6.736 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.406 7.069 7.093 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.846 3.875 5.220 1.00 0.00 N ATOM 1086 CA GLU A 67 -14.932 2.589 5.903 1.00 0.00 C ATOM 1087 C GLU A 67 -13.579 1.885 5.893 1.00 0.00 C ATOM 1088 O GLU A 67 -13.101 1.448 6.937 1.00 0.00 O ATOM 1089 CB GLU A 67 -15.967 1.665 5.237 1.00 0.00 C ATOM 1090 CG GLU A 67 -16.417 0.589 6.235 1.00 0.00 C ATOM 1091 CD GLU A 67 -16.966 -0.680 5.568 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.111 -0.671 5.057 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -16.244 -1.707 5.533 1.00 0.00 O ATOM 0 H GLU A 67 -15.478 3.961 4.424 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.241 2.793 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.826 2.247 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.535 1.197 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.573 0.319 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.184 1.008 6.886 1.00 0.00 H new ATOM 1100 N ASN A 68 -12.981 1.747 4.706 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.730 1.016 4.523 1.00 0.00 C ATOM 1102 C ASN A 68 -10.607 1.692 5.298 1.00 0.00 C ATOM 1103 O ASN A 68 -9.831 0.995 5.946 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.354 0.860 3.037 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.097 -0.281 2.342 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.482 -1.268 2.978 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.276 -0.176 1.034 1.00 0.00 N ATOM 0 H ASN A 68 -13.355 2.142 3.843 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.879 0.011 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.566 1.793 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.281 0.687 2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.744 -0.924 0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.946 0.653 0.539 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.541 3.023 5.282 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.604 3.792 6.082 1.00 0.00 C ATOM 1116 C TYR A 69 -9.775 3.435 7.558 1.00 0.00 C ATOM 1117 O TYR A 69 -8.844 2.916 8.172 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.811 5.290 5.813 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.798 6.152 6.530 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -8.987 6.504 7.879 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.619 6.535 5.869 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.004 7.239 8.551 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.622 7.250 6.549 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.808 7.600 7.901 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.788 8.173 8.591 1.00 0.00 O ATOM 0 H TYR A 69 -11.149 3.601 4.702 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.578 3.548 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.747 5.476 4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.815 5.577 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.889 6.208 8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.479 6.277 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.164 7.532 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.714 7.532 6.037 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.201 8.652 7.969 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.964 3.677 8.126 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.206 3.452 9.550 1.00 0.00 C ATOM 1137 C LYS A 70 -11.066 1.981 9.933 1.00 0.00 C ATOM 1138 O LYS A 70 -10.836 1.686 11.104 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.600 3.960 9.953 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.525 5.350 10.594 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.880 5.782 11.172 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.685 6.705 10.246 1.00 0.00 C ATOM 1143 NZ LYS A 70 -14.206 8.100 10.299 1.00 0.00 N ATOM 0 H LYS A 70 -11.774 4.030 7.615 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.444 4.014 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.243 3.997 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.056 3.259 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.776 5.346 11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.198 6.077 9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.472 4.893 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.713 6.291 12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.618 6.338 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.737 6.673 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.373 8.559 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.719 8.615 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.188 8.110 10.511 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.241 1.048 9.000 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.992 -0.369 9.211 1.00 0.00 C ATOM 1159 C LYS A 71 -9.492 -0.604 9.380 1.00 0.00 C ATOM 1160 O LYS A 71 -9.072 -1.111 10.424 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.567 -1.147 8.017 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.428 -2.666 8.167 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.751 -3.335 8.536 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.776 -3.253 7.394 1.00 0.00 C ATOM 1165 NZ LYS A 71 -14.263 -4.587 7.006 1.00 0.00 N ATOM 0 H LYS A 71 -11.567 1.264 8.058 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.481 -0.721 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.621 -0.894 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.060 -0.830 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.058 -3.089 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.685 -2.887 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.571 -4.380 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.162 -2.859 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.618 -2.634 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.322 -2.766 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.953 -4.494 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.463 -5.170 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.718 -5.042 7.823 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.712 -0.281 8.346 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.313 -0.663 8.239 1.00 0.00 C ATOM 1181 C PHE A 72 -6.410 0.146 9.179 1.00 0.00 C ATOM 1182 O PHE A 72 -5.348 -0.353 9.556 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.864 -0.561 6.770 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.243 -1.764 5.909 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.578 -2.985 6.116 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.212 -1.683 4.888 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -6.860 -4.108 5.319 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.509 -2.810 4.096 1.00 0.00 C ATOM 1189 CZ PHE A 72 -7.834 -4.024 4.312 1.00 0.00 C ATOM 0 H PHE A 72 -9.046 0.262 7.550 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.214 -1.699 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.300 0.336 6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.782 -0.436 6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.839 -3.061 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.730 -0.752 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.328 -5.034 5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.258 -2.741 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.064 -4.888 3.706 1.00 0.00 H new ATOM 1199 N SER A 73 -6.829 1.335 9.633 1.00 0.00 N ATOM 1200 CA SER A 73 -6.048 2.174 10.542 1.00 0.00 C ATOM 1201 C SER A 73 -5.787 1.531 11.923 1.00 0.00 C ATOM 1202 O SER A 73 -5.109 2.125 12.762 1.00 0.00 O ATOM 1203 CB SER A 73 -6.710 3.561 10.638 1.00 0.00 C ATOM 1204 OG SER A 73 -8.024 3.525 11.178 1.00 0.00 O ATOM 0 H SER A 73 -7.728 1.742 9.375 1.00 0.00 H new ATOM 0 HA SER A 73 -5.049 2.286 10.121 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.089 4.209 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.746 4.007 9.644 1.00 0.00 H new ATOM 0 HG SER A 73 -8.388 4.434 11.214 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.297 0.322 12.206 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.010 -0.370 13.463 1.00 0.00 C ATOM 1212 C LYS A 74 -4.573 -0.866 13.569 1.00 0.00 C ATOM 1213 O LYS A 74 -4.077 -0.931 14.700 1.00 0.00 O ATOM 1214 CB LYS A 74 -6.993 -1.526 13.711 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.321 -1.003 14.276 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.826 -1.756 15.511 1.00 0.00 C ATOM 1217 CE LYS A 74 -9.177 -3.226 15.253 1.00 0.00 C ATOM 1218 NZ LYS A 74 -9.805 -3.839 16.445 1.00 0.00 N ATOM 0 H LYS A 74 -6.911 -0.194 11.576 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.143 0.380 14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.175 -2.060 12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.553 -2.240 14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.203 0.050 14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.080 -1.059 13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.064 -1.708 16.289 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.708 -1.246 15.897 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.855 -3.298 14.403 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.275 -3.778 14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.033 -4.834 16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.146 -3.790 17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.678 -3.325 16.681 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.917 -1.268 12.478 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.580 -1.871 12.561 1.00 0.00 C ATOM 1234 C LYS A 75 -1.768 -1.676 11.281 1.00 0.00 C ATOM 1235 O LYS A 75 -0.793 -2.397 11.070 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.719 -3.370 12.905 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.592 -3.895 13.818 1.00 0.00 C ATOM 1238 CD LYS A 75 -1.794 -3.502 15.291 1.00 0.00 C ATOM 1239 CE LYS A 75 -0.577 -3.798 16.176 1.00 0.00 C ATOM 1240 NZ LYS A 75 -0.364 -5.231 16.452 1.00 0.00 N ATOM 0 H LYS A 75 -4.285 -1.189 11.530 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.028 -1.362 13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.679 -3.536 13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.727 -3.948 11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.541 -4.981 13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.636 -3.505 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.023 -2.438 15.347 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.659 -4.036 15.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.314 -3.396 15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.694 -3.271 17.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.475 -5.347 17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.197 -5.618 16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.220 -5.739 15.556 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.216 -0.789 10.394 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.556 -0.519 9.126 1.00 0.00 C ATOM 1256 C ILE A 76 -1.506 0.999 8.924 1.00 0.00 C ATOM 1257 O ILE A 76 -2.502 1.702 9.129 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.261 -1.274 7.969 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.644 -2.730 8.334 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.322 -1.271 6.758 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.162 -3.577 7.170 1.00 0.00 C ATOM 0 H ILE A 76 -3.058 -0.233 10.541 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.532 -0.891 9.133 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.197 -0.759 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.770 -3.223 8.761 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.407 -2.704 9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.796 -1.797 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.112 -0.243 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.389 -1.771 7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.403 -4.578 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.058 -3.115 6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.395 -3.642 6.398 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.341 1.506 8.523 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.044 2.926 8.342 1.00 0.00 C ATOM 1275 C GLU A 77 -0.434 3.330 6.911 1.00 0.00 C ATOM 1276 O GLU A 77 -0.019 2.675 5.957 1.00 0.00 O ATOM 1277 CB GLU A 77 1.458 3.137 8.626 1.00 0.00 C ATOM 1278 CG GLU A 77 1.779 2.886 10.112 1.00 0.00 C ATOM 1279 CD GLU A 77 3.269 2.738 10.466 1.00 0.00 C ATOM 1280 OE1 GLU A 77 4.061 2.096 9.735 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.658 3.264 11.539 1.00 0.00 O ATOM 0 H GLU A 77 0.458 0.910 8.306 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.612 3.555 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.048 2.463 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.744 4.153 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.368 3.709 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.260 1.981 10.427 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.258 4.365 6.721 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.849 4.679 5.407 1.00 0.00 C ATOM 1290 C ILE A 78 -1.214 5.959 4.865 1.00 0.00 C ATOM 1291 O ILE A 78 -1.286 6.997 5.513 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.400 4.740 5.470 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -3.944 3.461 6.155 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.990 4.930 4.050 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.467 3.305 6.187 1.00 0.00 C ATOM 0 H ILE A 78 -1.535 5.007 7.464 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.628 3.873 4.707 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.708 5.599 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.522 2.594 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.576 3.439 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.078 4.971 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.615 5.860 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.693 4.093 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.727 2.374 6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.907 4.144 6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.852 3.286 5.168 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.597 5.890 3.684 1.00 0.00 N ATOM 1308 CA TYR A 79 0.294 6.882 3.091 1.00 0.00 C ATOM 1309 C TYR A 79 -0.231 7.372 1.744 1.00 0.00 C ATOM 1310 O TYR A 79 -0.859 6.614 0.999 1.00 0.00 O ATOM 1311 CB TYR A 79 1.684 6.264 2.930 1.00 0.00 C ATOM 1312 CG TYR A 79 2.467 6.103 4.218 1.00 0.00 C ATOM 1313 CD1 TYR A 79 3.304 7.148 4.646 1.00 0.00 C ATOM 1314 CD2 TYR A 79 2.411 4.906 4.957 1.00 0.00 C ATOM 1315 CE1 TYR A 79 4.127 6.993 5.772 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.257 4.732 6.071 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.120 5.774 6.482 1.00 0.00 C ATOM 1318 OH TYR A 79 4.923 5.627 7.570 1.00 0.00 O ATOM 0 H TYR A 79 -0.717 5.080 3.075 1.00 0.00 H new ATOM 0 HA TYR A 79 0.346 7.748 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.578 5.285 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.263 6.883 2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.314 8.081 4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.723 4.124 4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.763 7.804 6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.246 3.798 6.613 1.00 0.00 H new ATOM 0 HH TYR A 79 4.801 4.731 7.948 1.00 0.00 H new ATOM 1328 N HIS A 80 0.024 8.642 1.425 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.471 9.261 0.206 1.00 0.00 C ATOM 1330 C HIS A 80 0.531 9.079 -0.926 1.00 0.00 C ATOM 1331 O HIS A 80 1.741 9.090 -0.697 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.742 10.755 0.439 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.620 11.374 -0.633 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.542 12.668 -1.104 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.612 10.748 -1.344 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.464 12.810 -2.075 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.111 11.655 -2.278 1.00 0.00 N ATOM 0 H HIS A 80 0.581 9.266 2.009 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.406 8.775 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.219 10.885 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.207 11.289 0.476 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.948 9.731 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.655 13.726 -2.614 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.829 11.474 -2.979 1.00 0.00 H new ATOM 1345 N ALA A 81 0.028 8.940 -2.153 1.00 0.00 N ATOM 1346 CA ALA A 81 0.862 9.000 -3.342 1.00 0.00 C ATOM 1347 C ALA A 81 1.253 10.429 -3.706 1.00 0.00 C ATOM 1348 O ALA A 81 0.392 11.277 -3.941 1.00 0.00 O ATOM 1349 CB ALA A 81 0.181 8.353 -4.550 1.00 0.00 C ATOM 0 H ALA A 81 -0.962 8.784 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 81 1.764 8.441 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.838 8.420 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.028 7.306 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.753 8.872 -4.762 1.00 0.00 H new ATOM 1355 N GLU A 82 2.544 10.652 -3.923 1.00 0.00 N ATOM 1356 CA GLU A 82 3.081 11.920 -4.404 1.00 0.00 C ATOM 1357 C GLU A 82 3.207 11.952 -5.938 1.00 0.00 C ATOM 1358 O GLU A 82 3.966 12.745 -6.498 1.00 0.00 O ATOM 1359 CB GLU A 82 4.401 12.195 -3.679 1.00 0.00 C ATOM 1360 CG GLU A 82 4.155 12.504 -2.193 1.00 0.00 C ATOM 1361 CD GLU A 82 5.112 13.579 -1.697 1.00 0.00 C ATOM 1362 OE1 GLU A 82 5.005 14.736 -2.165 1.00 0.00 O ATOM 1363 OE2 GLU A 82 5.987 13.303 -0.855 1.00 0.00 O ATOM 0 H GLU A 82 3.261 9.943 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 82 2.386 12.727 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.058 11.330 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.911 13.035 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.126 12.834 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.283 11.597 -1.603 1.00 0.00 H new ATOM 1370 N GLY A 83 2.479 11.091 -6.653 1.00 0.00 N ATOM 1371 CA GLY A 83 2.598 10.974 -8.098 1.00 0.00 C ATOM 1372 C GLY A 83 1.874 9.754 -8.621 1.00 0.00 C ATOM 1373 O GLY A 83 1.032 9.170 -7.930 1.00 0.00 O ATOM 0 H GLY A 83 1.793 10.458 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.192 11.869 -8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.651 10.918 -8.373 1.00 0.00 H new ATOM 1377 N ASP A 84 2.186 9.408 -9.865 1.00 0.00 N ATOM 1378 CA ASP A 84 1.712 8.206 -10.547 1.00 0.00 C ATOM 1379 C ASP A 84 2.900 7.297 -10.864 1.00 0.00 C ATOM 1380 O ASP A 84 2.713 6.249 -11.473 1.00 0.00 O ATOM 1381 CB ASP A 84 0.955 8.543 -11.843 1.00 0.00 C ATOM 1382 CG ASP A 84 0.005 9.731 -11.709 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -1.107 9.559 -11.171 1.00 0.00 O ATOM 1384 OD2 ASP A 84 0.420 10.848 -12.092 1.00 0.00 O ATOM 0 H ASP A 84 2.799 9.977 -10.449 1.00 0.00 H new ATOM 0 HA ASP A 84 1.016 7.695 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.678 8.755 -12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.386 7.668 -12.159 1.00 0.00 H new ATOM 1389 N ASP A 85 4.119 7.695 -10.478 1.00 0.00 N ATOM 1390 CA ASP A 85 5.326 6.867 -10.602 1.00 0.00 C ATOM 1391 C ASP A 85 5.388 6.017 -9.333 1.00 0.00 C ATOM 1392 O ASP A 85 5.680 6.555 -8.253 1.00 0.00 O ATOM 1393 CB ASP A 85 6.584 7.746 -10.704 1.00 0.00 C ATOM 1394 CG ASP A 85 7.788 7.165 -11.428 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.875 7.344 -12.661 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.745 6.781 -10.720 1.00 0.00 O ATOM 0 H ASP A 85 4.297 8.611 -10.066 1.00 0.00 H new ATOM 0 HA ASP A 85 5.287 6.253 -11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.306 8.674 -11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.894 8.009 -9.693 1.00 0.00 H new ATOM 1401 N VAL A 86 5.057 4.729 -9.422 1.00 0.00 N ATOM 1402 CA VAL A 86 5.262 3.772 -8.337 1.00 0.00 C ATOM 1403 C VAL A 86 6.721 3.852 -7.888 1.00 0.00 C ATOM 1404 O VAL A 86 6.985 3.858 -6.689 1.00 0.00 O ATOM 1405 CB VAL A 86 4.889 2.337 -8.785 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.369 1.257 -7.796 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.372 2.162 -8.924 1.00 0.00 C ATOM 0 H VAL A 86 4.636 4.318 -10.255 1.00 0.00 H new ATOM 0 HA VAL A 86 4.611 4.021 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 86 5.388 2.210 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.079 0.273 -8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.454 1.305 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.914 1.429 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.151 1.142 -9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.894 2.356 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.992 2.863 -9.667 1.00 0.00 H new ATOM 1417 N ASP A 87 7.662 3.949 -8.828 1.00 0.00 N ATOM 1418 CA ASP A 87 9.087 3.784 -8.554 1.00 0.00 C ATOM 1419 C ASP A 87 9.515 4.913 -7.619 1.00 0.00 C ATOM 1420 O ASP A 87 10.138 4.686 -6.585 1.00 0.00 O ATOM 1421 CB ASP A 87 9.931 3.753 -9.852 1.00 0.00 C ATOM 1422 CG ASP A 87 9.509 2.719 -10.909 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.693 1.811 -10.605 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.922 2.853 -12.079 1.00 0.00 O ATOM 0 H ASP A 87 7.454 4.146 -9.807 1.00 0.00 H new ATOM 0 HA ASP A 87 9.261 2.820 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.896 4.743 -10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.970 3.563 -9.581 1.00 0.00 H new ATOM 1429 N LYS A 88 9.129 6.157 -7.933 1.00 0.00 N ATOM 1430 CA LYS A 88 9.366 7.303 -7.055 1.00 0.00 C ATOM 1431 C LYS A 88 8.659 7.142 -5.701 1.00 0.00 C ATOM 1432 O LYS A 88 9.206 7.536 -4.674 1.00 0.00 O ATOM 1433 CB LYS A 88 8.935 8.550 -7.842 1.00 0.00 C ATOM 1434 CG LYS A 88 9.029 9.933 -7.193 1.00 0.00 C ATOM 1435 CD LYS A 88 10.161 10.152 -6.184 1.00 0.00 C ATOM 1436 CE LYS A 88 10.582 11.622 -6.113 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.574 11.966 -7.154 1.00 0.00 N ATOM 0 H LYS A 88 8.646 6.393 -8.800 1.00 0.00 H new ATOM 0 HA LYS A 88 10.418 7.392 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.530 8.579 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.898 8.402 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.134 10.673 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.083 10.137 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.839 9.818 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.020 9.541 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.703 12.257 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.002 11.832 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.831 12.970 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.424 11.379 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.165 11.791 -8.094 1.00 0.00 H new ATOM 1451 N ASN A 89 7.453 6.567 -5.659 1.00 0.00 N ATOM 1452 CA ASN A 89 6.735 6.391 -4.398 1.00 0.00 C ATOM 1453 C ASN A 89 7.445 5.398 -3.489 1.00 0.00 C ATOM 1454 O ASN A 89 7.401 5.557 -2.272 1.00 0.00 O ATOM 1455 CB ASN A 89 5.293 5.928 -4.640 1.00 0.00 C ATOM 1456 CG ASN A 89 4.391 7.121 -4.889 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.567 7.478 -4.066 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.545 7.788 -6.015 1.00 0.00 N ATOM 0 H ASN A 89 6.958 6.218 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 89 6.715 7.363 -3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.259 5.253 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.935 5.367 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.972 8.610 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.237 7.482 -6.698 1.00 0.00 H new ATOM 1465 N ILE A 90 8.084 4.380 -4.064 1.00 0.00 N ATOM 1466 CA ILE A 90 8.795 3.356 -3.320 1.00 0.00 C ATOM 1467 C ILE A 90 9.958 4.024 -2.586 1.00 0.00 C ATOM 1468 O ILE A 90 10.100 3.811 -1.380 1.00 0.00 O ATOM 1469 CB ILE A 90 9.235 2.207 -4.261 1.00 0.00 C ATOM 1470 CG1 ILE A 90 8.019 1.361 -4.714 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.269 1.314 -3.555 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.352 0.375 -5.842 1.00 0.00 C ATOM 0 H ILE A 90 8.119 4.247 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 90 8.149 2.890 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 90 9.690 2.648 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.632 0.807 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.225 2.029 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.572 0.509 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.141 1.910 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.828 0.889 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.457 -0.185 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.711 0.925 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.125 -0.316 -5.505 1.00 0.00 H new ATOM 1484 N SER A 91 10.787 4.807 -3.285 1.00 0.00 N ATOM 1485 CA SER A 91 11.965 5.382 -2.654 1.00 0.00 C ATOM 1486 C SER A 91 11.576 6.358 -1.535 1.00 0.00 C ATOM 1487 O SER A 91 12.207 6.343 -0.475 1.00 0.00 O ATOM 1488 CB SER A 91 12.903 5.970 -3.716 1.00 0.00 C ATOM 1489 OG SER A 91 12.274 6.898 -4.583 1.00 0.00 O ATOM 0 H SER A 91 10.663 5.050 -4.268 1.00 0.00 H new ATOM 0 HA SER A 91 12.533 4.597 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.739 6.461 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.320 5.157 -4.310 1.00 0.00 H new ATOM 0 HG SER A 91 11.338 7.013 -4.316 1.00 0.00 H new ATOM 1495 N LEU A 92 10.499 7.138 -1.723 1.00 0.00 N ATOM 1496 CA LEU A 92 9.993 8.044 -0.692 1.00 0.00 C ATOM 1497 C LEU A 92 9.511 7.244 0.517 1.00 0.00 C ATOM 1498 O LEU A 92 9.785 7.616 1.661 1.00 0.00 O ATOM 1499 CB LEU A 92 8.831 8.892 -1.236 1.00 0.00 C ATOM 1500 CG LEU A 92 9.229 9.972 -2.255 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.971 10.505 -2.955 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.974 11.148 -1.612 1.00 0.00 C ATOM 0 H LEU A 92 9.961 7.155 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 92 10.805 8.707 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.104 8.227 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.330 9.374 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 92 9.905 9.502 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.253 11.271 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.468 9.687 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.297 10.936 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.230 11.879 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.336 11.616 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.886 10.785 -1.138 1.00 0.00 H new ATOM 1514 N PHE A 93 8.781 6.151 0.274 1.00 0.00 N ATOM 1515 CA PHE A 93 8.220 5.330 1.333 1.00 0.00 C ATOM 1516 C PHE A 93 9.312 4.763 2.243 1.00 0.00 C ATOM 1517 O PHE A 93 9.159 4.752 3.473 1.00 0.00 O ATOM 1518 CB PHE A 93 7.380 4.195 0.744 1.00 0.00 C ATOM 1519 CG PHE A 93 6.933 3.193 1.787 1.00 0.00 C ATOM 1520 CD1 PHE A 93 5.954 3.545 2.735 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.566 1.940 1.858 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.609 2.642 3.755 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.229 1.046 2.884 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.240 1.390 3.822 1.00 0.00 C ATOM 0 H PHE A 93 8.567 5.817 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 93 7.577 5.969 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.503 4.616 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.959 3.680 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.468 4.508 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.310 1.667 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.860 2.911 4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.730 0.092 2.954 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.965 0.689 4.596 1.00 0.00 H new ATOM 1534 N ILE A 94 10.387 4.255 1.633 1.00 0.00 N ATOM 1535 CA ILE A 94 11.489 3.607 2.324 1.00 0.00 C ATOM 1536 C ILE A 94 12.128 4.597 3.307 1.00 0.00 C ATOM 1537 O ILE A 94 12.322 4.238 4.472 1.00 0.00 O ATOM 1538 CB ILE A 94 12.473 3.024 1.281 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.856 1.786 0.582 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.796 2.614 1.940 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.553 1.417 -0.734 1.00 0.00 C ATOM 0 H ILE A 94 10.511 4.287 0.621 1.00 0.00 H new ATOM 0 HA ILE A 94 11.143 2.765 2.924 1.00 0.00 H new ATOM 0 HB ILE A 94 12.667 3.803 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.903 0.934 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.801 1.978 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.468 2.208 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.257 3.486 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.605 1.857 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.070 0.542 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.483 2.253 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.602 1.193 -0.540 1.00 0.00 H new ATOM 1553 N GLU A 95 12.433 5.821 2.866 1.00 0.00 N ATOM 1554 CA GLU A 95 13.010 6.844 3.736 1.00 0.00 C ATOM 1555 C GLU A 95 12.025 7.242 4.840 1.00 0.00 C ATOM 1556 O GLU A 95 12.452 7.412 5.983 1.00 0.00 O ATOM 1557 CB GLU A 95 13.471 8.054 2.903 1.00 0.00 C ATOM 1558 CG GLU A 95 14.885 7.836 2.326 1.00 0.00 C ATOM 1559 CD GLU A 95 15.976 8.615 3.083 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.385 8.194 4.189 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.466 9.648 2.547 1.00 0.00 O ATOM 0 H GLU A 95 12.288 6.127 1.904 1.00 0.00 H new ATOM 0 HA GLU A 95 13.889 6.432 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.767 8.226 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.464 8.949 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.122 6.772 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.893 8.137 1.278 1.00 0.00 H new ATOM 1568 N GLY A 96 10.718 7.297 4.556 1.00 0.00 N ATOM 1569 CA GLY A 96 9.705 7.769 5.500 1.00 0.00 C ATOM 1570 C GLY A 96 9.063 9.093 5.084 1.00 0.00 C ATOM 1571 O GLY A 96 8.354 9.694 5.892 1.00 0.00 O ATOM 0 H GLY A 96 10.333 7.012 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.928 7.011 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.161 7.887 6.483 1.00 0.00 H new ATOM 1575 N GLU A 97 9.335 9.566 3.868 1.00 0.00 N ATOM 1576 CA GLU A 97 9.021 10.917 3.424 1.00 0.00 C ATOM 1577 C GLU A 97 7.530 11.092 3.125 1.00 0.00 C ATOM 1578 O GLU A 97 7.001 12.196 3.282 1.00 0.00 O ATOM 1579 CB GLU A 97 9.874 11.224 2.175 1.00 0.00 C ATOM 1580 CG GLU A 97 11.007 12.220 2.450 1.00 0.00 C ATOM 1581 CD GLU A 97 10.640 13.629 1.994 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.981 14.372 2.764 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.017 14.002 0.862 1.00 0.00 O ATOM 0 H GLU A 97 9.791 9.004 3.149 1.00 0.00 H new ATOM 0 HA GLU A 97 9.256 11.619 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.299 10.295 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.230 11.623 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.233 12.229 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.911 11.894 1.935 1.00 0.00 H new ATOM 1590 N LEU A 98 6.840 10.026 2.704 1.00 0.00 N ATOM 1591 CA LEU A 98 5.438 10.118 2.305 1.00 0.00 C ATOM 1592 C LEU A 98 4.608 10.552 3.505 1.00 0.00 C ATOM 1593 O LEU A 98 4.796 10.054 4.619 1.00 0.00 O ATOM 1594 CB LEU A 98 4.907 8.773 1.787 1.00 0.00 C ATOM 1595 CG LEU A 98 5.531 8.242 0.485 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.860 6.908 0.152 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.330 9.186 -0.703 1.00 0.00 C ATOM 0 H LEU A 98 7.235 9.088 2.632 1.00 0.00 H new ATOM 0 HA LEU A 98 5.361 10.846 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.056 8.025 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.832 8.867 1.636 1.00 0.00 H new ATOM 0 HG LEU A 98 6.604 8.143 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.284 6.507 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.028 6.203 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.789 7.062 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.792 8.756 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.264 9.326 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.791 10.149 -0.484 1.00 0.00 H new ATOM 1609 N SER A 99 3.653 11.451 3.278 1.00 0.00 N ATOM 1610 CA SER A 99 2.719 11.815 4.323 1.00 0.00 C ATOM 1611 C SER A 99 1.728 10.682 4.497 1.00 0.00 C ATOM 1612 O SER A 99 1.198 10.150 3.516 1.00 0.00 O ATOM 1613 CB SER A 99 2.025 13.140 4.010 1.00 0.00 C ATOM 1614 OG SER A 99 2.448 14.110 4.954 1.00 0.00 O ATOM 0 H SER A 99 3.512 11.932 2.389 1.00 0.00 H new ATOM 0 HA SER A 99 3.254 11.967 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.270 13.465 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.943 13.019 4.052 1.00 0.00 H new ATOM 0 HG SER A 99 2.010 14.966 4.762 1.00 0.00 H new ATOM 1620 N LYS A 100 1.448 10.331 5.751 1.00 0.00 N ATOM 1621 CA LYS A 100 0.279 9.529 6.039 1.00 0.00 C ATOM 1622 C LYS A 100 -0.960 10.335 5.673 1.00 0.00 C ATOM 1623 O LYS A 100 -1.056 11.498 6.069 1.00 0.00 O ATOM 1624 CB LYS A 100 0.249 9.052 7.485 1.00 0.00 C ATOM 1625 CG LYS A 100 1.438 8.122 7.778 1.00 0.00 C ATOM 1626 CD LYS A 100 1.199 7.239 9.005 1.00 0.00 C ATOM 1627 CE LYS A 100 0.587 7.991 10.189 1.00 0.00 C ATOM 1628 NZ LYS A 100 1.434 9.082 10.714 1.00 0.00 N ATOM 0 H LYS A 100 2.008 10.587 6.564 1.00 0.00 H new ATOM 0 HA LYS A 100 0.309 8.620 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.279 9.910 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.686 8.527 7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.624 7.490 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.335 8.721 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.540 6.416 8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.146 6.798 9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.374 8.406 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.388 7.282 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.952 9.542 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.342 8.692 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.605 9.781 9.963 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.896 9.730 4.945 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.189 10.333 4.641 1.00 0.00 C ATOM 1644 C ILE A 101 -3.838 10.619 5.991 1.00 0.00 C ATOM 1645 O ILE A 101 -3.971 9.701 6.802 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.050 9.385 3.767 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.389 9.163 2.392 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.470 9.937 3.570 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.138 8.205 1.458 1.00 0.00 C ATOM 0 H ILE A 101 -1.776 8.799 4.546 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.086 11.250 4.061 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.119 8.433 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.289 10.127 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.381 8.779 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.046 9.248 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.955 10.048 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.418 10.908 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.595 8.115 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.215 7.225 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.138 8.594 1.264 1.00 0.00 H new