USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 987 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 45 MET CE :methyl -179:sc= -2.81 (180deg=-2.55) USER MOD Set 1.2: A 90 TYR OH : rot 30:sc= -0.268 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -179:sc= 0.556 (180deg=0) USER MOD Set 2.2: A 65 SER OG : rot 84:sc= 1.77 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0.426 USER MOD Set 3.2: A 103 THR OG1 : rot -66:sc= 0.452 USER MOD Set 4.1: A 17 LYS NZ :NH3+ -173:sc= 0.422 (180deg=0) USER MOD Set 4.2: A 19 TYR OH : rot -60:sc= 0.37 USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00747 (180deg=-0.2) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.132 (180deg=-0.315) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.197 K(o=0.2,f=-0.94) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 113:sc= 0.797 USER MOD Single : A 24 GLN : amide:sc= 0.633 K(o=0.63,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0.709 (180deg=0.666) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0553) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.057) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0.874 (180deg=0.812) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.516 (180deg=0.502) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0.94 (180deg=0.643) USER MOD Single : A 64 HIS : no HD1:sc= 0.362 K(o=0.36,f=-2.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.67 K(o=0.67,f=-0.0038) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0185 K(o=-0.018,f=-1.2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0017 K(o=-0.0017,f=-0.92) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0849 K(o=-0.085,f=-0.91) USER MOD Single : A 115 HIS : no HE2:sc= 0.141 K(o=0.14,f=-3) USER MOD Single : A 116 HIS : no HD1:sc= -0.0938 K(o=-0.094,f=-0.64) USER MOD Single : A 117 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.139 9.624 -2.434 1.00 0.00 N ATOM 2 CA MET A 1 22.619 8.342 -3.004 1.00 0.00 C ATOM 3 C MET A 1 22.478 7.209 -1.977 1.00 0.00 C ATOM 4 O MET A 1 22.323 6.037 -2.346 1.00 0.00 O ATOM 5 CB MET A 1 24.072 8.465 -3.457 1.00 0.00 C ATOM 6 CG MET A 1 24.297 9.468 -4.581 1.00 0.00 C ATOM 7 SD MET A 1 23.328 9.090 -6.055 1.00 0.00 S ATOM 8 CE MET A 1 24.130 7.589 -6.612 1.00 0.00 C ATOM 0 H1 MET A 1 22.082 10.339 -3.187 1.00 0.00 H new ATOM 0 H2 MET A 1 21.197 9.487 -2.015 1.00 0.00 H new ATOM 0 H3 MET A 1 22.801 9.947 -1.700 1.00 0.00 H new ATOM 0 HA MET A 1 22.004 8.104 -3.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.684 8.753 -2.602 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.422 7.486 -3.784 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.040 10.467 -4.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.355 9.485 -4.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.805 7.358 -7.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.211 7.728 -6.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.863 6.766 -5.949 1.00 0.00 H new ATOM 20 N SER A 2 22.542 7.583 -0.683 1.00 0.00 N ATOM 21 CA SER A 2 22.730 6.639 0.431 1.00 0.00 C ATOM 22 C SER A 2 21.435 5.835 0.678 1.00 0.00 C ATOM 23 O SER A 2 21.469 4.632 0.938 1.00 0.00 O ATOM 24 CB SER A 2 23.145 7.382 1.686 1.00 0.00 C ATOM 25 OG SER A 2 24.404 7.983 1.551 1.00 0.00 O ATOM 0 H SER A 2 22.464 8.555 -0.383 1.00 0.00 H new ATOM 0 HA SER A 2 23.523 5.940 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.402 8.146 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.163 6.690 2.528 1.00 0.00 H new ATOM 0 HG SER A 2 24.633 8.452 2.380 1.00 0.00 H new ATOM 31 N GLY A 3 20.295 6.535 0.596 1.00 0.00 N ATOM 32 CA GLY A 3 18.984 5.910 0.587 1.00 0.00 C ATOM 33 C GLY A 3 18.016 6.663 -0.309 1.00 0.00 C ATOM 34 O GLY A 3 18.438 7.471 -1.146 1.00 0.00 O ATOM 0 H GLY A 3 20.266 7.553 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.073 4.879 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 3 18.589 5.875 1.602 1.00 0.00 H new ATOM 38 N LYS A 4 16.719 6.397 -0.141 1.00 0.00 N ATOM 39 CA LYS A 4 15.629 7.246 -0.644 1.00 0.00 C ATOM 40 C LYS A 4 14.470 7.139 0.362 1.00 0.00 C ATOM 41 O LYS A 4 14.206 6.045 0.889 1.00 0.00 O ATOM 42 CB LYS A 4 15.185 6.821 -2.045 1.00 0.00 C ATOM 43 CG LYS A 4 14.067 7.670 -2.635 1.00 0.00 C ATOM 44 CD LYS A 4 14.585 9.025 -3.095 1.00 0.00 C ATOM 45 CE LYS A 4 13.457 9.901 -3.618 1.00 0.00 C ATOM 46 NZ LYS A 4 13.898 11.306 -3.837 1.00 0.00 N ATOM 0 H LYS A 4 16.387 5.571 0.357 1.00 0.00 H new ATOM 0 HA LYS A 4 15.966 8.279 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.045 6.860 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.856 5.782 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.615 7.146 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.283 7.812 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.083 9.527 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.331 8.885 -3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.082 9.488 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.629 9.887 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.095 11.873 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.248 11.704 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.659 11.324 -4.545 1.00 0.00 H new ATOM 60 N LYS A 5 13.799 8.277 0.646 1.00 0.00 N ATOM 61 CA LYS A 5 12.721 8.331 1.641 1.00 0.00 C ATOM 62 C LYS A 5 11.394 8.695 0.947 1.00 0.00 C ATOM 63 O LYS A 5 11.340 9.594 0.099 1.00 0.00 O ATOM 64 CB LYS A 5 13.049 9.342 2.742 1.00 0.00 C ATOM 65 CG LYS A 5 12.018 9.408 3.860 1.00 0.00 C ATOM 66 CD LYS A 5 12.530 10.226 5.037 1.00 0.00 C ATOM 67 CE LYS A 5 12.319 11.716 4.809 1.00 0.00 C ATOM 68 NZ LYS A 5 12.785 12.527 5.967 1.00 0.00 N ATOM 0 H LYS A 5 13.991 9.171 0.194 1.00 0.00 H new ATOM 0 HA LYS A 5 12.621 7.351 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.019 9.091 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.145 10.331 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.096 9.849 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.775 8.399 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.015 9.919 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.591 10.026 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.854 12.025 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.261 11.910 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.624 13.536 5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.257 12.251 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.800 12.362 6.120 1.00 0.00 H new ATOM 82 N VAL A 6 10.354 7.952 1.299 1.00 0.00 N ATOM 83 CA VAL A 6 8.983 8.170 0.815 1.00 0.00 C ATOM 84 C VAL A 6 7.992 8.086 1.996 1.00 0.00 C ATOM 85 O VAL A 6 8.215 7.330 2.943 1.00 0.00 O ATOM 86 CB VAL A 6 8.587 7.146 -0.265 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.730 5.728 0.268 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.163 7.394 -0.739 1.00 0.00 C ATOM 0 H VAL A 6 10.433 7.164 1.941 1.00 0.00 H new ATOM 0 HA VAL A 6 8.945 9.162 0.366 1.00 0.00 H new ATOM 0 HB VAL A 6 9.259 7.265 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.446 5.017 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.765 5.552 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.081 5.598 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.901 6.661 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.478 7.302 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.089 8.397 -1.159 1.00 0.00 H new ATOM 98 N GLU A 7 6.910 8.880 1.935 1.00 0.00 N ATOM 99 CA GLU A 7 5.795 8.785 2.886 1.00 0.00 C ATOM 100 C GLU A 7 4.610 8.114 2.181 1.00 0.00 C ATOM 101 O GLU A 7 4.254 8.468 1.048 1.00 0.00 O ATOM 102 CB GLU A 7 5.399 10.164 3.418 1.00 0.00 C ATOM 103 CG GLU A 7 6.402 10.777 4.384 1.00 0.00 C ATOM 104 CD GLU A 7 5.868 12.042 4.996 1.00 0.00 C ATOM 105 OE1 GLU A 7 5.572 12.956 4.263 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.650 12.057 6.185 1.00 0.00 O ATOM 0 H GLU A 7 6.786 9.603 1.226 1.00 0.00 H new ATOM 0 HA GLU A 7 6.103 8.188 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.265 10.841 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.434 10.084 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.637 10.061 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.333 10.990 3.859 1.00 0.00 H new ATOM 113 N VAL A 8 4.037 7.132 2.866 1.00 0.00 N ATOM 114 CA VAL A 8 2.957 6.288 2.368 1.00 0.00 C ATOM 115 C VAL A 8 1.753 6.415 3.317 1.00 0.00 C ATOM 116 O VAL A 8 1.861 6.138 4.513 1.00 0.00 O ATOM 117 CB VAL A 8 3.384 4.812 2.257 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.222 3.957 1.772 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.574 4.670 1.318 1.00 0.00 C ATOM 0 H VAL A 8 4.321 6.893 3.816 1.00 0.00 H new ATOM 0 HA VAL A 8 2.691 6.624 1.366 1.00 0.00 H new ATOM 0 HB VAL A 8 3.681 4.465 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.541 2.917 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.394 4.034 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.897 4.306 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.862 3.621 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.302 5.035 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.412 5.253 1.701 1.00 0.00 H new ATOM 129 N GLN A 9 0.618 6.874 2.773 1.00 0.00 N ATOM 130 CA GLN A 9 -0.641 7.012 3.516 1.00 0.00 C ATOM 131 C GLN A 9 -1.536 5.819 3.148 1.00 0.00 C ATOM 132 O GLN A 9 -1.885 5.636 1.979 1.00 0.00 O ATOM 133 CB GLN A 9 -1.343 8.331 3.188 1.00 0.00 C ATOM 134 CG GLN A 9 -2.631 8.560 3.959 1.00 0.00 C ATOM 135 CD GLN A 9 -3.243 9.919 3.675 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.647 10.752 2.986 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.436 10.154 4.209 1.00 0.00 N ATOM 0 H GLN A 9 0.548 7.162 1.797 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.436 7.021 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.659 9.154 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.562 8.357 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.348 7.781 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.432 8.470 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.893 9.437 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.895 11.052 4.056 1.00 0.00 H new ATOM 146 N VAL A 10 -1.874 4.989 4.147 1.00 0.00 N ATOM 147 CA VAL A 10 -2.692 3.780 3.947 1.00 0.00 C ATOM 148 C VAL A 10 -4.057 3.985 4.617 1.00 0.00 C ATOM 149 O VAL A 10 -4.133 4.243 5.820 1.00 0.00 O ATOM 150 CB VAL A 10 -2.019 2.519 4.521 1.00 0.00 C ATOM 151 CG1 VAL A 10 -2.913 1.304 4.328 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.665 2.293 3.865 1.00 0.00 C ATOM 0 H VAL A 10 -1.589 5.136 5.115 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.808 3.626 2.874 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.864 2.667 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.422 0.422 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.861 1.464 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.098 1.154 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.203 1.398 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.798 2.166 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.022 3.153 4.051 1.00 0.00 H new ATOM 162 N LYS A 11 -5.119 3.903 3.807 1.00 0.00 N ATOM 163 CA LYS A 11 -6.507 4.048 4.251 1.00 0.00 C ATOM 164 C LYS A 11 -7.246 2.731 3.964 1.00 0.00 C ATOM 165 O LYS A 11 -7.323 2.310 2.818 1.00 0.00 O ATOM 166 CB LYS A 11 -7.193 5.222 3.551 1.00 0.00 C ATOM 167 CG LYS A 11 -8.645 5.436 3.957 1.00 0.00 C ATOM 168 CD LYS A 11 -9.314 6.487 3.085 1.00 0.00 C ATOM 169 CE LYS A 11 -8.775 7.879 3.382 1.00 0.00 C ATOM 170 NZ LYS A 11 -9.476 8.928 2.593 1.00 0.00 N ATOM 0 H LYS A 11 -5.034 3.731 2.805 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.528 4.260 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.632 6.133 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.150 5.062 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.189 4.495 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.691 5.744 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.150 6.248 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.391 6.469 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.885 8.091 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.708 7.910 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.079 9.861 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.350 8.741 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.490 8.917 2.824 1.00 0.00 H new ATOM 184 N ILE A 12 -7.799 2.085 4.995 1.00 0.00 N ATOM 185 CA ILE A 12 -8.569 0.842 4.820 1.00 0.00 C ATOM 186 C ILE A 12 -9.970 0.980 5.450 1.00 0.00 C ATOM 187 O ILE A 12 -10.126 1.507 6.552 1.00 0.00 O ATOM 188 CB ILE A 12 -7.846 -0.368 5.441 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.643 -1.651 5.192 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.632 -0.151 6.931 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.870 -2.917 5.484 1.00 0.00 C ATOM 0 H ILE A 12 -7.730 2.400 5.963 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.666 0.671 3.748 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.871 -0.472 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.541 -1.635 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.970 -1.668 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.120 -1.015 7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.026 0.742 7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.597 -0.024 7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.501 -3.783 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.985 -2.958 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.565 -2.924 6.531 1.00 0.00 H new ATOM 203 N THR A 13 -10.993 0.524 4.708 1.00 0.00 N ATOM 204 CA THR A 13 -12.386 0.560 5.131 1.00 0.00 C ATOM 205 C THR A 13 -12.817 -0.849 5.591 1.00 0.00 C ATOM 206 O THR A 13 -12.681 -1.823 4.837 1.00 0.00 O ATOM 207 CB THR A 13 -13.315 1.047 4.003 1.00 0.00 C ATOM 208 OG1 THR A 13 -12.940 2.375 3.613 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.763 1.047 4.465 1.00 0.00 C ATOM 0 H THR A 13 -10.863 0.115 3.783 1.00 0.00 H new ATOM 0 HA THR A 13 -12.470 1.267 5.956 1.00 0.00 H new ATOM 0 HB THR A 13 -13.217 0.370 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.530 2.684 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.404 1.394 3.654 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.054 0.036 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.871 1.711 5.323 1.00 0.00 H new ATOM 217 N CYS A 14 -13.308 -0.928 6.840 1.00 0.00 N ATOM 218 CA CYS A 14 -13.819 -2.157 7.468 1.00 0.00 C ATOM 219 C CYS A 14 -14.873 -1.773 8.528 1.00 0.00 C ATOM 220 O CYS A 14 -14.731 -0.746 9.200 1.00 0.00 O ATOM 221 CB CYS A 14 -12.626 -2.925 8.089 1.00 0.00 C ATOM 222 SG CYS A 14 -12.998 -4.395 9.114 1.00 0.00 S ATOM 0 H CYS A 14 -13.361 -0.117 7.456 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.300 -2.807 6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.971 -3.240 7.277 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.059 -2.224 8.702 1.00 0.00 H new ATOM 227 N ASN A 15 -15.953 -2.575 8.607 1.00 0.00 N ATOM 228 CA ASN A 15 -17.107 -2.364 9.515 1.00 0.00 C ATOM 229 C ASN A 15 -17.779 -0.994 9.231 1.00 0.00 C ATOM 230 O ASN A 15 -18.359 -0.356 10.123 1.00 0.00 O ATOM 231 CB ASN A 15 -16.697 -2.459 10.974 1.00 0.00 C ATOM 232 CG ASN A 15 -17.840 -2.753 11.906 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.825 -3.397 11.530 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.750 -2.214 13.095 1.00 0.00 N ATOM 0 H ASN A 15 -16.053 -3.409 8.029 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.828 -3.158 9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.943 -3.239 11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.229 -1.521 11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.516 -2.316 13.761 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.914 -1.691 13.356 1.00 0.00 H new ATOM 241 N GLY A 16 -17.692 -0.558 7.953 1.00 0.00 N ATOM 242 CA GLY A 16 -18.221 0.740 7.522 1.00 0.00 C ATOM 243 C GLY A 16 -17.401 1.938 8.011 1.00 0.00 C ATOM 244 O GLY A 16 -17.784 3.090 7.766 1.00 0.00 O ATOM 0 H GLY A 16 -17.256 -1.096 7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.263 0.761 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.245 0.842 7.882 1.00 0.00 H new ATOM 248 N LYS A 17 -16.263 1.666 8.685 1.00 0.00 N ATOM 249 CA LYS A 17 -15.402 2.698 9.301 1.00 0.00 C ATOM 250 C LYS A 17 -14.128 2.893 8.483 1.00 0.00 C ATOM 251 O LYS A 17 -13.682 1.985 7.800 1.00 0.00 O ATOM 252 CB LYS A 17 -15.047 2.324 10.741 1.00 0.00 C ATOM 253 CG LYS A 17 -16.240 2.259 11.686 1.00 0.00 C ATOM 254 CD LYS A 17 -15.866 1.593 13.002 1.00 0.00 C ATOM 255 CE LYS A 17 -14.934 2.471 13.823 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.401 1.757 15.015 1.00 0.00 N ATOM 0 H LYS A 17 -15.914 0.717 8.818 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.959 3.635 9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.547 1.355 10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.332 3.051 11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.610 3.266 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.052 1.706 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.769 1.383 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.385 0.635 12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.105 2.803 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.468 3.365 14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.867 2.423 15.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.190 1.360 15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.772 0.988 14.707 1.00 0.00 H new ATOM 270 N THR A 18 -13.544 4.096 8.568 1.00 0.00 N ATOM 271 CA THR A 18 -12.277 4.431 7.908 1.00 0.00 C ATOM 272 C THR A 18 -11.117 4.413 8.923 1.00 0.00 C ATOM 273 O THR A 18 -11.143 5.132 9.924 1.00 0.00 O ATOM 274 CB THR A 18 -12.338 5.812 7.229 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.363 5.809 6.226 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.004 6.149 6.582 1.00 0.00 C ATOM 0 H THR A 18 -13.942 4.869 9.101 1.00 0.00 H new ATOM 0 HA THR A 18 -12.104 3.676 7.141 1.00 0.00 H new ATOM 0 HB THR A 18 -12.562 6.562 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.402 6.689 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.067 7.128 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.224 6.164 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.764 5.397 5.831 1.00 0.00 H new ATOM 284 N TYR A 19 -10.110 3.579 8.638 1.00 0.00 N ATOM 285 CA TYR A 19 -8.881 3.447 9.435 1.00 0.00 C ATOM 286 C TYR A 19 -7.716 3.890 8.541 1.00 0.00 C ATOM 287 O TYR A 19 -7.404 3.193 7.571 1.00 0.00 O ATOM 288 CB TYR A 19 -8.678 2.014 9.929 1.00 0.00 C ATOM 289 CG TYR A 19 -9.820 1.489 10.772 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.847 1.701 12.143 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.866 0.784 10.196 1.00 0.00 C ATOM 292 CE1 TYR A 19 -10.887 1.225 12.918 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.912 0.303 10.961 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.917 0.526 12.323 1.00 0.00 C ATOM 295 OH TYR A 19 -12.956 0.048 13.091 1.00 0.00 O ATOM 0 H TYR A 19 -10.126 2.961 7.827 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.944 4.069 10.328 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.544 1.359 9.068 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.758 1.968 10.512 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.042 2.247 12.612 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.863 0.608 9.131 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.894 1.399 13.984 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.719 -0.243 10.496 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.607 -0.573 13.764 1.00 0.00 H new ATOM 305 N GLU A 20 -7.078 5.029 8.844 1.00 0.00 N ATOM 306 CA GLU A 20 -5.969 5.541 8.012 1.00 0.00 C ATOM 307 C GLU A 20 -4.830 6.111 8.863 1.00 0.00 C ATOM 308 O GLU A 20 -5.059 6.671 9.943 1.00 0.00 O ATOM 309 CB GLU A 20 -6.476 6.613 7.045 1.00 0.00 C ATOM 310 CG GLU A 20 -6.977 7.882 7.720 1.00 0.00 C ATOM 311 CD GLU A 20 -7.495 8.870 6.712 1.00 0.00 C ATOM 312 OE1 GLU A 20 -6.771 9.197 5.803 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.652 9.211 6.784 1.00 0.00 O ATOM 0 H GLU A 20 -7.304 5.612 9.650 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.576 4.696 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.672 6.875 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.283 6.192 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.768 7.632 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.168 8.335 8.294 1.00 0.00 H new ATOM 320 N ARG A 21 -3.600 5.942 8.349 1.00 0.00 N ATOM 321 CA ARG A 21 -2.368 6.407 8.997 1.00 0.00 C ATOM 322 C ARG A 21 -1.279 6.570 7.926 1.00 0.00 C ATOM 323 O ARG A 21 -1.228 5.797 6.957 1.00 0.00 O ATOM 324 CB ARG A 21 -1.949 5.392 10.111 1.00 0.00 C ATOM 325 CG ARG A 21 -0.698 5.763 10.938 1.00 0.00 C ATOM 326 CD ARG A 21 -0.577 4.927 12.231 1.00 0.00 C ATOM 327 NE ARG A 21 -0.493 3.477 11.957 1.00 0.00 N ATOM 328 CZ ARG A 21 -0.299 2.510 12.869 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.165 2.786 14.167 1.00 0.00 N ATOM 330 NH2 ARG A 21 -0.208 1.256 12.463 1.00 0.00 N ATOM 0 H ARG A 21 -3.434 5.472 7.459 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.522 7.374 9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.788 5.270 10.796 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.775 4.423 9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.194 5.616 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.737 6.821 11.195 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.309 5.242 12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.438 5.124 12.870 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.591 3.183 10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.209 3.752 14.490 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.019 2.031 14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.285 1.034 11.470 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.061 0.509 13.142 1.00 0.00 H new ATOM 344 N THR A 22 -0.443 7.611 8.077 1.00 0.00 N ATOM 345 CA THR A 22 0.702 7.872 7.197 1.00 0.00 C ATOM 346 C THR A 22 1.993 7.326 7.843 1.00 0.00 C ATOM 347 O THR A 22 2.222 7.510 9.040 1.00 0.00 O ATOM 348 CB THR A 22 0.868 9.374 6.904 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.302 9.866 6.239 1.00 0.00 O ATOM 350 CG2 THR A 22 2.086 9.615 6.024 1.00 0.00 C ATOM 0 H THR A 22 -0.547 8.300 8.822 1.00 0.00 H new ATOM 0 HA THR A 22 0.514 7.364 6.251 1.00 0.00 H new ATOM 0 HB THR A 22 1.006 9.900 7.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.196 10.823 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.187 10.682 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.980 9.253 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.965 9.082 5.081 1.00 0.00 H new ATOM 358 N TYR A 23 2.809 6.638 7.037 1.00 0.00 N ATOM 359 CA TYR A 23 4.040 5.964 7.484 1.00 0.00 C ATOM 360 C TYR A 23 5.239 6.594 6.773 1.00 0.00 C ATOM 361 O TYR A 23 5.130 6.964 5.613 1.00 0.00 O ATOM 362 CB TYR A 23 3.956 4.449 7.143 1.00 0.00 C ATOM 363 CG TYR A 23 2.755 3.736 7.787 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.483 3.777 7.199 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.883 3.045 8.991 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.394 3.157 7.787 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.796 2.421 9.579 1.00 0.00 C ATOM 368 CZ TYR A 23 0.553 2.480 8.974 1.00 0.00 C ATOM 369 OH TYR A 23 -0.536 1.853 9.563 1.00 0.00 O ATOM 0 H TYR A 23 2.632 6.530 6.038 1.00 0.00 H new ATOM 0 HA TYR A 23 4.156 6.078 8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.899 4.332 6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.875 3.961 7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.350 4.304 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.848 2.996 9.474 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.577 3.205 7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.918 1.888 10.510 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.405 0.882 9.542 1.00 0.00 H new ATOM 379 N GLN A 24 6.373 6.723 7.469 1.00 0.00 N ATOM 380 CA GLN A 24 7.631 7.185 6.847 1.00 0.00 C ATOM 381 C GLN A 24 8.468 5.937 6.560 1.00 0.00 C ATOM 382 O GLN A 24 8.841 5.204 7.485 1.00 0.00 O ATOM 383 CB GLN A 24 8.396 8.151 7.756 1.00 0.00 C ATOM 384 CG GLN A 24 7.758 9.524 7.883 1.00 0.00 C ATOM 385 CD GLN A 24 6.587 9.532 8.847 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.588 8.816 9.851 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.578 10.340 8.543 1.00 0.00 N ATOM 0 H GLN A 24 6.452 6.515 8.465 1.00 0.00 H new ATOM 0 HA GLN A 24 7.415 7.736 5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.480 7.709 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.409 8.268 7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.508 10.240 8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.419 9.856 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.621 10.915 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.760 10.386 9.151 1.00 0.00 H new ATOM 396 N LEU A 25 8.742 5.690 5.272 1.00 0.00 N ATOM 397 CA LEU A 25 9.545 4.548 4.818 1.00 0.00 C ATOM 398 C LEU A 25 10.867 5.059 4.227 1.00 0.00 C ATOM 399 O LEU A 25 10.884 5.674 3.152 1.00 0.00 O ATOM 400 CB LEU A 25 8.737 3.694 3.787 1.00 0.00 C ATOM 401 CG LEU A 25 7.356 3.136 4.293 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.680 2.247 3.227 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.492 2.381 5.644 1.00 0.00 C ATOM 0 H LEU A 25 8.410 6.282 4.511 1.00 0.00 H new ATOM 0 HA LEU A 25 9.778 3.899 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.559 4.302 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.356 2.852 3.477 1.00 0.00 H new ATOM 0 HG LEU A 25 6.712 3.998 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.728 1.879 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.505 2.831 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.328 1.402 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.514 2.013 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.175 1.540 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.883 3.060 6.402 1.00 0.00 H new ATOM 415 N TYR A 26 11.959 4.853 4.984 1.00 0.00 N ATOM 416 CA TYR A 26 13.322 5.206 4.555 1.00 0.00 C ATOM 417 C TYR A 26 14.115 3.922 4.260 1.00 0.00 C ATOM 418 O TYR A 26 14.478 3.187 5.181 1.00 0.00 O ATOM 419 CB TYR A 26 14.035 6.042 5.621 1.00 0.00 C ATOM 420 CG TYR A 26 15.400 6.539 5.199 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.787 6.515 3.868 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.297 7.033 6.134 1.00 0.00 C ATOM 423 CE1 TYR A 26 17.032 6.967 3.476 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.544 7.489 5.755 1.00 0.00 C ATOM 425 CZ TYR A 26 17.909 7.454 4.424 1.00 0.00 C ATOM 426 OH TYR A 26 19.151 7.908 4.042 1.00 0.00 O ATOM 0 H TYR A 26 11.920 4.435 5.914 1.00 0.00 H new ATOM 0 HA TYR A 26 13.259 5.808 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.410 6.898 5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.141 5.445 6.527 1.00 0.00 H new ATOM 0 HD1 TYR A 26 15.102 6.136 3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.016 7.062 7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.317 6.940 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.230 7.871 6.496 1.00 0.00 H new ATOM 0 HH TYR A 26 19.643 8.218 4.831 1.00 0.00 H new ATOM 436 N ALA A 27 14.413 3.699 2.973 1.00 0.00 N ATOM 437 CA ALA A 27 14.990 2.447 2.473 1.00 0.00 C ATOM 438 C ALA A 27 16.078 2.762 1.440 1.00 0.00 C ATOM 439 O ALA A 27 16.052 3.821 0.803 1.00 0.00 O ATOM 440 CB ALA A 27 13.877 1.581 1.866 1.00 0.00 C ATOM 0 H ALA A 27 14.258 4.393 2.242 1.00 0.00 H new ATOM 0 HA ALA A 27 15.449 1.891 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.303 0.649 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.131 1.359 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.405 2.119 1.044 1.00 0.00 H new ATOM 446 N VAL A 28 17.040 1.840 1.296 1.00 0.00 N ATOM 447 CA VAL A 28 18.204 2.014 0.397 1.00 0.00 C ATOM 448 C VAL A 28 17.945 1.267 -0.933 1.00 0.00 C ATOM 449 O VAL A 28 18.369 1.707 -2.004 1.00 0.00 O ATOM 450 CB VAL A 28 19.508 1.496 1.033 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.645 1.534 0.024 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.863 2.317 2.264 1.00 0.00 C ATOM 0 H VAL A 28 17.039 0.951 1.796 1.00 0.00 H new ATOM 0 HA VAL A 28 18.326 3.082 0.214 1.00 0.00 H new ATOM 0 HB VAL A 28 19.353 0.462 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.558 1.165 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.394 0.905 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.799 2.559 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.787 1.937 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.998 3.360 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.058 2.242 2.996 1.00 0.00 H new ATOM 462 N ARG A 29 17.223 0.131 -0.844 1.00 0.00 N ATOM 463 CA ARG A 29 16.911 -0.741 -1.996 1.00 0.00 C ATOM 464 C ARG A 29 15.380 -0.862 -2.159 1.00 0.00 C ATOM 465 O ARG A 29 14.637 -0.810 -1.173 1.00 0.00 O ATOM 466 CB ARG A 29 17.579 -2.105 -1.897 1.00 0.00 C ATOM 467 CG ARG A 29 19.096 -2.082 -1.989 1.00 0.00 C ATOM 468 CD ARG A 29 19.752 -3.363 -1.622 1.00 0.00 C ATOM 469 NE ARG A 29 19.682 -3.692 -0.207 1.00 0.00 N ATOM 470 CZ ARG A 29 20.088 -4.860 0.328 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.557 -5.826 -0.430 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.979 -5.018 1.636 1.00 0.00 N ATOM 0 H ARG A 29 16.837 -0.210 0.036 1.00 0.00 H new ATOM 0 HA ARG A 29 17.324 -0.275 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.294 -2.565 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.191 -2.742 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.382 -1.820 -3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.475 -1.294 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.291 -4.169 -2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.799 -3.319 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 29 19.299 -2.989 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.618 -5.698 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.860 -6.704 -0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.596 -4.267 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.278 -5.891 2.071 1.00 0.00 H new ATOM 486 N ASP A 30 14.931 -1.058 -3.411 1.00 0.00 N ATOM 487 CA ASP A 30 13.504 -1.226 -3.748 1.00 0.00 C ATOM 488 C ASP A 30 12.926 -2.446 -2.997 1.00 0.00 C ATOM 489 O ASP A 30 11.793 -2.407 -2.505 1.00 0.00 O ATOM 490 CB ASP A 30 13.316 -1.390 -5.257 1.00 0.00 C ATOM 491 CG ASP A 30 13.519 -0.111 -6.058 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.575 0.939 -5.462 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.772 -0.204 -7.236 1.00 0.00 O ATOM 0 H ASP A 30 15.549 -1.105 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 30 12.967 -0.330 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.014 -2.145 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.311 -1.768 -5.447 1.00 0.00 H new ATOM 498 N GLU A 31 13.750 -3.517 -2.889 1.00 0.00 N ATOM 499 CA GLU A 31 13.406 -4.759 -2.157 1.00 0.00 C ATOM 500 C GLU A 31 13.201 -4.487 -0.644 1.00 0.00 C ATOM 501 O GLU A 31 12.321 -5.080 -0.021 1.00 0.00 O ATOM 502 CB GLU A 31 14.495 -5.814 -2.356 1.00 0.00 C ATOM 503 CG GLU A 31 14.190 -7.162 -1.716 1.00 0.00 C ATOM 504 CD GLU A 31 13.036 -7.842 -2.398 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.645 -7.395 -3.449 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.619 -8.873 -1.926 1.00 0.00 O ATOM 0 H GLU A 31 14.678 -3.542 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 31 12.467 -5.133 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.651 -5.960 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.431 -5.434 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.073 -7.800 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.960 -7.022 -0.660 1.00 0.00 H new ATOM 513 N GLU A 32 14.011 -3.562 -0.088 1.00 0.00 N ATOM 514 CA GLU A 32 13.911 -3.130 1.324 1.00 0.00 C ATOM 515 C GLU A 32 12.591 -2.386 1.587 1.00 0.00 C ATOM 516 O GLU A 32 11.945 -2.591 2.622 1.00 0.00 O ATOM 517 CB GLU A 32 15.095 -2.237 1.698 1.00 0.00 C ATOM 518 CG GLU A 32 16.430 -2.965 1.777 1.00 0.00 C ATOM 519 CD GLU A 32 17.572 -1.997 1.919 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.336 -0.815 1.857 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.663 -2.434 2.202 1.00 0.00 O ATOM 0 H GLU A 32 14.754 -3.092 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 32 13.930 -4.025 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.175 -1.434 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.892 -1.769 2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.424 -3.650 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.571 -3.569 0.880 1.00 0.00 H new ATOM 528 N LEU A 33 12.201 -1.533 0.622 1.00 0.00 N ATOM 529 CA LEU A 33 10.925 -0.788 0.650 1.00 0.00 C ATOM 530 C LEU A 33 9.715 -1.763 0.548 1.00 0.00 C ATOM 531 O LEU A 33 8.721 -1.581 1.258 1.00 0.00 O ATOM 532 CB LEU A 33 10.910 0.298 -0.489 1.00 0.00 C ATOM 533 CG LEU A 33 10.011 1.577 -0.259 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.517 1.235 -0.078 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.527 2.434 0.928 1.00 0.00 C ATOM 0 H LEU A 33 12.765 -1.339 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 33 10.834 -0.268 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.935 0.631 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.582 -0.184 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 33 10.094 2.170 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.950 2.153 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.150 0.727 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.395 0.583 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.883 3.304 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.515 1.837 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.546 2.763 0.723 1.00 0.00 H new ATOM 547 N LYS A 34 9.835 -2.813 -0.312 1.00 0.00 N ATOM 548 CA LYS A 34 8.753 -3.798 -0.545 1.00 0.00 C ATOM 549 C LYS A 34 8.308 -4.496 0.752 1.00 0.00 C ATOM 550 O LYS A 34 7.111 -4.532 1.056 1.00 0.00 O ATOM 551 CB LYS A 34 9.200 -4.846 -1.566 1.00 0.00 C ATOM 552 CG LYS A 34 9.149 -4.376 -3.013 1.00 0.00 C ATOM 553 CD LYS A 34 9.826 -5.371 -3.943 1.00 0.00 C ATOM 554 CE LYS A 34 9.224 -6.762 -3.801 1.00 0.00 C ATOM 555 NZ LYS A 34 9.993 -7.781 -4.566 1.00 0.00 N ATOM 0 H LYS A 34 10.678 -2.995 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 34 7.898 -3.245 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.220 -5.152 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.570 -5.729 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.111 -4.240 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.637 -3.405 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.726 -5.033 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.893 -5.410 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.200 -7.041 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.192 -6.748 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.478 -8.685 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.111 -7.461 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.928 -7.910 -4.129 1.00 0.00 H new ATOM 569 N GLU A 35 9.297 -5.040 1.502 1.00 0.00 N ATOM 570 CA GLU A 35 9.057 -5.741 2.785 1.00 0.00 C ATOM 571 C GLU A 35 8.478 -4.795 3.849 1.00 0.00 C ATOM 572 O GLU A 35 7.676 -5.208 4.680 1.00 0.00 O ATOM 573 CB GLU A 35 10.353 -6.371 3.302 1.00 0.00 C ATOM 574 CG GLU A 35 11.449 -5.369 3.635 1.00 0.00 C ATOM 575 CD GLU A 35 12.687 -6.061 4.135 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.695 -7.268 4.175 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.664 -5.390 4.372 1.00 0.00 O ATOM 0 H GLU A 35 10.281 -5.005 1.235 1.00 0.00 H new ATOM 0 HA GLU A 35 8.325 -6.526 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.128 -6.955 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.729 -7.067 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.690 -4.782 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.089 -4.671 4.391 1.00 0.00 H new ATOM 584 N LYS A 36 8.879 -3.516 3.770 1.00 0.00 N ATOM 585 CA LYS A 36 8.371 -2.445 4.632 1.00 0.00 C ATOM 586 C LYS A 36 6.873 -2.218 4.372 1.00 0.00 C ATOM 587 O LYS A 36 6.093 -2.093 5.312 1.00 0.00 O ATOM 588 CB LYS A 36 9.154 -1.151 4.403 1.00 0.00 C ATOM 589 CG LYS A 36 10.563 -1.158 4.979 1.00 0.00 C ATOM 590 CD LYS A 36 11.272 0.164 4.725 1.00 0.00 C ATOM 591 CE LYS A 36 12.706 0.130 5.231 1.00 0.00 C ATOM 592 NZ LYS A 36 12.772 0.018 6.714 1.00 0.00 N ATOM 0 H LYS A 36 9.574 -3.196 3.096 1.00 0.00 H new ATOM 0 HA LYS A 36 8.504 -2.746 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.214 -0.962 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.599 -0.322 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.519 -1.349 6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.136 -1.971 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.266 0.382 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.729 0.970 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.230 -0.713 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.224 1.034 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.759 0.117 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.196 0.769 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.408 -0.910 7.009 1.00 0.00 H new ATOM 606 N LEU A 37 6.494 -2.213 3.079 1.00 0.00 N ATOM 607 CA LEU A 37 5.090 -2.106 2.637 1.00 0.00 C ATOM 608 C LEU A 37 4.250 -3.315 3.092 1.00 0.00 C ATOM 609 O LEU A 37 3.098 -3.142 3.483 1.00 0.00 O ATOM 610 CB LEU A 37 5.030 -1.964 1.112 1.00 0.00 C ATOM 611 CG LEU A 37 5.548 -0.630 0.559 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.671 -0.706 -0.958 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.604 0.491 0.968 1.00 0.00 C ATOM 0 H LEU A 37 7.157 -2.284 2.307 1.00 0.00 H new ATOM 0 HA LEU A 37 4.663 -1.217 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.608 -2.773 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.997 -2.095 0.791 1.00 0.00 H new ATOM 0 HG LEU A 37 6.536 -0.424 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.039 0.246 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.368 -1.500 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.694 -0.918 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.972 1.439 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.610 0.294 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.553 0.545 2.055 1.00 0.00 H new ATOM 625 N LYS A 38 4.840 -4.531 3.048 1.00 0.00 N ATOM 626 CA LYS A 38 4.217 -5.766 3.582 1.00 0.00 C ATOM 627 C LYS A 38 3.912 -5.639 5.088 1.00 0.00 C ATOM 628 O LYS A 38 2.815 -5.985 5.530 1.00 0.00 O ATOM 629 CB LYS A 38 5.120 -6.974 3.333 1.00 0.00 C ATOM 630 CG LYS A 38 5.246 -7.374 1.869 1.00 0.00 C ATOM 631 CD LYS A 38 6.199 -8.548 1.695 1.00 0.00 C ATOM 632 CE LYS A 38 6.424 -8.866 0.225 1.00 0.00 C ATOM 633 NZ LYS A 38 7.407 -9.967 0.037 1.00 0.00 N ATOM 0 H LYS A 38 5.763 -4.685 2.641 1.00 0.00 H new ATOM 0 HA LYS A 38 3.274 -5.911 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.114 -6.756 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.734 -7.823 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.264 -7.639 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.603 -6.524 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.153 -8.318 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.795 -9.425 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.476 -9.144 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.778 -7.972 -0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.621 -10.072 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.281 -9.744 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.007 -10.855 0.401 1.00 0.00 H new ATOM 647 N LYS A 39 4.889 -5.122 5.858 1.00 0.00 N ATOM 648 CA LYS A 39 4.734 -4.922 7.312 1.00 0.00 C ATOM 649 C LYS A 39 3.669 -3.848 7.617 1.00 0.00 C ATOM 650 O LYS A 39 2.820 -4.064 8.467 1.00 0.00 O ATOM 651 CB LYS A 39 6.071 -4.532 7.945 1.00 0.00 C ATOM 652 CG LYS A 39 7.099 -5.655 7.984 1.00 0.00 C ATOM 653 CD LYS A 39 8.397 -5.196 8.633 1.00 0.00 C ATOM 654 CE LYS A 39 9.437 -6.305 8.638 1.00 0.00 C ATOM 655 NZ LYS A 39 10.719 -5.862 9.249 1.00 0.00 N ATOM 0 H LYS A 39 5.798 -4.834 5.495 1.00 0.00 H new ATOM 0 HA LYS A 39 4.400 -5.865 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.490 -3.691 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.890 -4.186 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.694 -6.503 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.300 -6.002 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.788 -4.331 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.200 -4.875 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.050 -7.163 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.618 -6.637 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.401 -6.647 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.102 -5.060 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.552 -5.569 10.233 1.00 0.00 H new ATOM 669 N VAL A 40 3.698 -2.719 6.880 1.00 0.00 N ATOM 670 CA VAL A 40 2.700 -1.627 7.018 1.00 0.00 C ATOM 671 C VAL A 40 1.262 -2.135 6.763 1.00 0.00 C ATOM 672 O VAL A 40 0.354 -1.863 7.556 1.00 0.00 O ATOM 673 CB VAL A 40 2.998 -0.465 6.053 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.833 0.513 6.020 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.279 0.249 6.457 1.00 0.00 C ATOM 0 H VAL A 40 4.410 -2.534 6.173 1.00 0.00 H new ATOM 0 HA VAL A 40 2.775 -1.269 8.045 1.00 0.00 H new ATOM 0 HB VAL A 40 3.133 -0.876 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.061 1.328 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.934 -0.004 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.668 0.916 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.474 1.067 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.171 0.646 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.111 -0.454 6.431 1.00 0.00 H new ATOM 685 N LEU A 41 1.087 -2.920 5.688 1.00 0.00 N ATOM 686 CA LEU A 41 -0.204 -3.535 5.344 1.00 0.00 C ATOM 687 C LEU A 41 -0.644 -4.541 6.431 1.00 0.00 C ATOM 688 O LEU A 41 -1.786 -4.497 6.863 1.00 0.00 O ATOM 689 CB LEU A 41 -0.113 -4.226 3.978 1.00 0.00 C ATOM 690 CG LEU A 41 -0.156 -3.285 2.767 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.268 -4.031 1.510 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.560 -2.720 2.612 1.00 0.00 C ATOM 0 H LEU A 41 1.836 -3.146 5.034 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.956 -2.747 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.813 -4.800 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.933 -4.939 3.894 1.00 0.00 H new ATOM 0 HG LEU A 41 0.539 -2.460 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.234 -3.354 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.284 -4.407 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.409 -4.867 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.590 -2.051 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.266 -3.537 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.831 -2.167 3.511 1.00 0.00 H new ATOM 704 N ASN A 42 0.277 -5.403 6.907 1.00 0.00 N ATOM 705 CA ASN A 42 -0.016 -6.390 7.989 1.00 0.00 C ATOM 706 C ASN A 42 -0.351 -5.728 9.343 1.00 0.00 C ATOM 707 O ASN A 42 -1.283 -6.169 10.033 1.00 0.00 O ATOM 708 CB ASN A 42 1.139 -7.358 8.172 1.00 0.00 C ATOM 709 CG ASN A 42 1.262 -8.370 7.068 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.304 -8.635 6.332 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.409 -8.998 7.001 1.00 0.00 N ATOM 0 H ASN A 42 1.237 -5.442 6.563 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.903 -6.932 7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.068 -6.792 8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.016 -7.881 9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.543 -9.744 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.169 -8.741 7.631 1.00 0.00 H new ATOM 718 N GLU A 43 0.389 -4.667 9.709 1.00 0.00 N ATOM 719 CA GLU A 43 0.176 -3.962 10.988 1.00 0.00 C ATOM 720 C GLU A 43 -1.163 -3.195 10.970 1.00 0.00 C ATOM 721 O GLU A 43 -1.922 -3.239 11.948 1.00 0.00 O ATOM 722 CB GLU A 43 1.334 -3.003 11.274 1.00 0.00 C ATOM 723 CG GLU A 43 2.646 -3.689 11.626 1.00 0.00 C ATOM 724 CD GLU A 43 3.763 -2.691 11.764 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.531 -1.531 11.523 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.817 -3.069 12.218 1.00 0.00 O ATOM 0 H GLU A 43 1.140 -4.278 9.139 1.00 0.00 H new ATOM 0 HA GLU A 43 0.138 -4.706 11.784 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.491 -2.372 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.050 -2.345 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.531 -4.242 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.898 -4.416 10.854 1.00 0.00 H new ATOM 733 N ARG A 44 -1.457 -2.516 9.839 1.00 0.00 N ATOM 734 CA ARG A 44 -2.734 -1.790 9.652 1.00 0.00 C ATOM 735 C ARG A 44 -3.935 -2.754 9.630 1.00 0.00 C ATOM 736 O ARG A 44 -5.004 -2.443 10.172 1.00 0.00 O ATOM 737 CB ARG A 44 -2.716 -0.903 8.415 1.00 0.00 C ATOM 738 CG ARG A 44 -3.974 -0.076 8.202 1.00 0.00 C ATOM 739 CD ARG A 44 -4.085 1.109 9.091 1.00 0.00 C ATOM 740 NE ARG A 44 -4.738 0.849 10.363 1.00 0.00 N ATOM 741 CZ ARG A 44 -4.890 1.758 11.345 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.406 2.975 11.223 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.518 1.389 12.448 1.00 0.00 N ATOM 0 H ARG A 44 -0.826 -2.455 9.040 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.850 -1.133 10.514 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.862 -0.229 8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.558 -1.531 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.003 0.258 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.844 -0.714 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.085 1.498 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.636 1.890 8.567 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.107 -0.088 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.907 3.243 10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.530 3.651 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.873 0.437 12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.648 2.056 13.208 1.00 0.00 H new ATOM 757 N MET A 45 -3.747 -3.924 9.003 1.00 0.00 N ATOM 758 CA MET A 45 -4.826 -4.904 8.803 1.00 0.00 C ATOM 759 C MET A 45 -4.933 -5.918 9.943 1.00 0.00 C ATOM 760 O MET A 45 -5.947 -6.601 10.037 1.00 0.00 O ATOM 761 CB MET A 45 -4.619 -5.639 7.481 1.00 0.00 C ATOM 762 CG MET A 45 -4.695 -4.750 6.248 1.00 0.00 C ATOM 763 SD MET A 45 -4.602 -5.686 4.708 1.00 0.00 S ATOM 764 CE MET A 45 -6.207 -6.478 4.697 1.00 0.00 C ATOM 0 H MET A 45 -2.848 -4.217 8.622 1.00 0.00 H new ATOM 0 HA MET A 45 -5.761 -4.344 8.785 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.646 -6.130 7.501 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.370 -6.424 7.395 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.627 -4.185 6.269 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.882 -4.025 6.277 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.296 -7.108 3.812 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.316 -7.091 5.592 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.988 -5.718 4.680 1.00 0.00 H new ATOM 774 N ASP A 46 -3.920 -5.996 10.813 1.00 0.00 N ATOM 775 CA ASP A 46 -3.941 -6.913 11.967 1.00 0.00 C ATOM 776 C ASP A 46 -5.279 -6.791 12.777 1.00 0.00 C ATOM 777 O ASP A 46 -5.954 -7.816 12.978 1.00 0.00 O ATOM 778 CB ASP A 46 -2.740 -6.638 12.876 1.00 0.00 C ATOM 779 CG ASP A 46 -2.606 -7.600 14.049 1.00 0.00 C ATOM 780 OD1 ASP A 46 -2.455 -8.774 13.816 1.00 0.00 O ATOM 781 OD2 ASP A 46 -2.499 -7.137 15.160 1.00 0.00 O ATOM 0 H ASP A 46 -3.071 -5.435 10.743 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.878 -7.933 11.588 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.829 -6.684 12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.817 -5.622 13.262 1.00 0.00 H new ATOM 786 N PRO A 47 -5.731 -5.550 13.211 1.00 0.00 N ATOM 787 CA PRO A 47 -7.054 -5.376 13.903 1.00 0.00 C ATOM 788 C PRO A 47 -8.278 -5.594 12.968 1.00 0.00 C ATOM 789 O PRO A 47 -9.406 -5.769 13.449 1.00 0.00 O ATOM 790 CB PRO A 47 -7.000 -3.940 14.433 1.00 0.00 C ATOM 791 CG PRO A 47 -6.093 -3.229 13.488 1.00 0.00 C ATOM 792 CD PRO A 47 -5.024 -4.228 13.132 1.00 0.00 C ATOM 0 HA PRO A 47 -7.195 -6.122 14.686 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.991 -3.486 14.451 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.616 -3.907 15.453 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.632 -2.897 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.662 -2.341 13.950 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.623 -4.047 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.185 -4.181 13.826 1.00 0.00 H new ATOM 800 N ILE A 48 -8.051 -5.561 11.640 1.00 0.00 N ATOM 801 CA ILE A 48 -9.126 -5.649 10.621 1.00 0.00 C ATOM 802 C ILE A 48 -9.668 -7.103 10.526 1.00 0.00 C ATOM 803 O ILE A 48 -10.856 -7.332 10.229 1.00 0.00 O ATOM 804 CB ILE A 48 -8.632 -5.197 9.235 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.142 -3.747 9.289 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.737 -5.350 8.201 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.198 -2.762 9.738 1.00 0.00 C ATOM 0 H ILE A 48 -7.117 -5.473 11.239 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.927 -4.980 10.937 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.796 -5.832 8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.290 -3.686 9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.785 -3.457 8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.371 -5.026 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.041 -6.395 8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.592 -4.738 8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.776 -1.757 9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.041 -2.793 9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.539 -3.025 10.739 1.00 0.00 H new ATOM 819 N LYS A 49 -8.793 -8.080 10.831 1.00 0.00 N ATOM 820 CA LYS A 49 -9.146 -9.506 10.896 1.00 0.00 C ATOM 821 C LYS A 49 -10.029 -9.763 12.133 1.00 0.00 C ATOM 822 O LYS A 49 -10.990 -10.532 12.077 1.00 0.00 O ATOM 823 CB LYS A 49 -7.889 -10.376 10.944 1.00 0.00 C ATOM 824 CG LYS A 49 -7.007 -10.275 9.707 1.00 0.00 C ATOM 825 CD LYS A 49 -5.778 -11.164 9.829 1.00 0.00 C ATOM 826 CE LYS A 49 -4.883 -11.043 8.605 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.693 -11.932 8.696 1.00 0.00 N ATOM 0 H LYS A 49 -7.812 -7.897 11.041 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.702 -9.772 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.301 -10.096 11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.186 -11.416 11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.580 -10.562 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.697 -9.240 9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.216 -10.890 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.088 -12.201 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.455 -11.293 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.556 -10.009 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.034 -11.711 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.217 -11.783 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.995 -12.924 8.621 1.00 0.00 H new ATOM 841 N LYS A 50 -9.655 -9.102 13.248 1.00 0.00 N ATOM 842 CA LYS A 50 -10.420 -9.090 14.511 1.00 0.00 C ATOM 843 C LYS A 50 -11.811 -8.440 14.303 1.00 0.00 C ATOM 844 O LYS A 50 -12.766 -8.789 14.997 1.00 0.00 O ATOM 845 CB LYS A 50 -9.645 -8.348 15.601 1.00 0.00 C ATOM 846 CG LYS A 50 -8.397 -9.071 16.088 1.00 0.00 C ATOM 847 CD LYS A 50 -7.675 -8.268 17.159 1.00 0.00 C ATOM 848 CE LYS A 50 -6.424 -8.988 17.644 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.692 -8.200 18.671 1.00 0.00 N ATOM 0 H LYS A 50 -8.797 -8.552 13.296 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.566 -10.122 14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.357 -7.367 15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.307 -8.180 16.450 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.672 -10.048 16.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.725 -9.247 15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.403 -7.290 16.761 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.346 -8.094 18.000 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.701 -9.957 18.060 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.765 -9.181 16.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.847 -8.725 18.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.405 -7.286 18.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.311 -8.037 19.490 1.00 0.00 H new ATOM 863 N LEU A 51 -11.918 -7.511 13.328 1.00 0.00 N ATOM 864 CA LEU A 51 -13.207 -6.866 12.981 1.00 0.00 C ATOM 865 C LEU A 51 -14.035 -7.808 12.093 1.00 0.00 C ATOM 866 O LEU A 51 -15.270 -7.729 12.077 1.00 0.00 O ATOM 867 CB LEU A 51 -12.973 -5.526 12.272 1.00 0.00 C ATOM 868 CG LEU A 51 -12.339 -4.431 13.141 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.047 -3.198 12.295 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.274 -4.088 14.290 1.00 0.00 C ATOM 0 H LEU A 51 -11.129 -7.190 12.767 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.758 -6.667 13.900 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.333 -5.698 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.928 -5.161 11.894 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.397 -4.793 13.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.597 -2.426 12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.358 -3.462 11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.976 -2.822 11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.823 -3.310 14.906 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.224 -3.730 13.892 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.447 -4.977 14.896 1.00 0.00 H new ATOM 882 N GLY A 52 -13.330 -8.683 11.354 1.00 0.00 N ATOM 883 CA GLY A 52 -13.959 -9.796 10.640 1.00 0.00 C ATOM 884 C GLY A 52 -14.582 -9.360 9.327 1.00 0.00 C ATOM 885 O GLY A 52 -15.697 -9.782 8.984 1.00 0.00 O ATOM 0 H GLY A 52 -12.318 -8.635 11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.214 -10.568 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.726 -10.243 11.272 1.00 0.00 H new ATOM 889 N CYS A 53 -13.868 -8.479 8.604 1.00 0.00 N ATOM 890 CA CYS A 53 -14.304 -7.973 7.298 1.00 0.00 C ATOM 891 C CYS A 53 -13.856 -8.945 6.205 1.00 0.00 C ATOM 892 O CYS A 53 -12.675 -8.991 5.863 1.00 0.00 O ATOM 893 CB CYS A 53 -13.739 -6.569 7.071 1.00 0.00 C ATOM 894 SG CYS A 53 -14.508 -5.334 8.154 1.00 0.00 S ATOM 0 H CYS A 53 -12.973 -8.100 8.912 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.391 -7.902 7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.663 -6.581 7.244 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.892 -6.282 6.031 1.00 0.00 H new ATOM 899 N LYS A 54 -14.834 -9.717 5.688 1.00 0.00 N ATOM 900 CA LYS A 54 -14.651 -10.702 4.595 1.00 0.00 C ATOM 901 C LYS A 54 -13.929 -10.094 3.381 1.00 0.00 C ATOM 902 O LYS A 54 -12.982 -10.659 2.869 1.00 0.00 O ATOM 903 CB LYS A 54 -16.001 -11.272 4.159 1.00 0.00 C ATOM 904 CG LYS A 54 -15.914 -12.344 3.081 1.00 0.00 C ATOM 905 CD LYS A 54 -17.286 -12.912 2.753 1.00 0.00 C ATOM 906 CE LYS A 54 -17.206 -13.947 1.640 1.00 0.00 C ATOM 907 NZ LYS A 54 -18.550 -14.462 1.261 1.00 0.00 N ATOM 0 H LYS A 54 -15.796 -9.674 6.025 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.025 -11.503 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.503 -11.691 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.625 -10.456 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.468 -11.921 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.257 -13.146 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.716 -13.367 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.954 -12.104 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.728 -13.504 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.577 -14.777 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.462 -15.087 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.954 -14.996 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.174 -13.664 1.027 1.00 0.00 H new ATOM 921 N ARG A 55 -14.410 -8.937 2.932 1.00 0.00 N ATOM 922 CA ARG A 55 -13.772 -8.153 1.865 1.00 0.00 C ATOM 923 C ARG A 55 -13.427 -6.767 2.433 1.00 0.00 C ATOM 924 O ARG A 55 -14.179 -6.224 3.255 1.00 0.00 O ATOM 925 CB ARG A 55 -14.616 -8.066 0.601 1.00 0.00 C ATOM 926 CG ARG A 55 -13.955 -7.342 -0.561 1.00 0.00 C ATOM 927 CD ARG A 55 -14.760 -7.324 -1.809 1.00 0.00 C ATOM 928 NE ARG A 55 -14.860 -8.610 -2.480 1.00 0.00 N ATOM 929 CZ ARG A 55 -15.762 -8.907 -3.436 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.664 -8.028 -3.811 1.00 0.00 N ATOM 931 NH2 ARG A 55 -15.729 -10.114 -3.972 1.00 0.00 N ATOM 0 H ARG A 55 -15.260 -8.509 3.298 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.861 -8.660 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.872 -9.076 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.552 -7.560 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.747 -6.315 -0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.995 -7.814 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.764 -6.972 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.323 -6.602 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.201 -9.339 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.688 -7.105 -3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.340 -8.268 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.034 -10.792 -3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.399 -10.368 -4.698 1.00 0.00 H new ATOM 945 N VAL A 56 -12.285 -6.213 2.014 1.00 0.00 N ATOM 946 CA VAL A 56 -11.768 -4.928 2.521 1.00 0.00 C ATOM 947 C VAL A 56 -11.327 -4.062 1.334 1.00 0.00 C ATOM 948 O VAL A 56 -11.000 -4.592 0.271 1.00 0.00 O ATOM 949 CB VAL A 56 -10.584 -5.118 3.488 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.026 -5.883 4.726 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.441 -5.843 2.795 1.00 0.00 C ATOM 0 H VAL A 56 -11.686 -6.643 1.309 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.569 -4.440 3.077 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.231 -4.134 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.177 -6.008 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.813 -5.327 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.404 -6.862 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.613 -5.968 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.782 -6.822 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.107 -5.259 1.937 1.00 0.00 H new ATOM 961 N ARG A 57 -11.365 -2.730 1.498 1.00 0.00 N ATOM 962 CA ARG A 57 -10.896 -1.786 0.469 1.00 0.00 C ATOM 963 C ARG A 57 -9.724 -0.980 1.039 1.00 0.00 C ATOM 964 O ARG A 57 -9.851 -0.394 2.108 1.00 0.00 O ATOM 965 CB ARG A 57 -12.003 -0.888 -0.063 1.00 0.00 C ATOM 966 CG ARG A 57 -11.557 0.125 -1.106 1.00 0.00 C ATOM 967 CD ARG A 57 -12.663 0.924 -1.695 1.00 0.00 C ATOM 968 NE ARG A 57 -13.596 0.156 -2.505 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.789 0.610 -2.935 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.217 1.809 -2.605 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.531 -0.192 -3.678 1.00 0.00 N ATOM 0 H ARG A 57 -11.719 -2.279 2.341 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.559 -2.357 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.783 -1.514 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.451 -0.353 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.836 0.804 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.038 -0.401 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.214 1.408 -0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.235 1.716 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.328 -0.793 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.643 2.411 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.123 2.137 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.196 -1.127 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.439 0.124 -4.019 1.00 0.00 H new ATOM 985 N ILE A 58 -8.587 -0.968 0.334 1.00 0.00 N ATOM 986 CA ILE A 58 -7.370 -0.267 0.789 1.00 0.00 C ATOM 987 C ILE A 58 -6.950 0.757 -0.291 1.00 0.00 C ATOM 988 O ILE A 58 -6.746 0.386 -1.438 1.00 0.00 O ATOM 989 CB ILE A 58 -6.209 -1.239 1.064 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.604 -2.250 2.144 1.00 0.00 C ATOM 991 CG2 ILE A 58 -4.961 -0.474 1.476 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.609 -3.374 2.321 1.00 0.00 C ATOM 0 H ILE A 58 -8.479 -1.440 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.599 0.237 1.728 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.988 -1.785 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.720 -1.727 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.576 -2.674 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.150 -1.177 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.671 0.207 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.167 0.097 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.958 -4.049 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.510 -3.923 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.640 -2.961 2.603 1.00 0.00 H new ATOM 1004 N SER A 59 -6.825 2.038 0.080 1.00 0.00 N ATOM 1005 CA SER A 59 -6.309 3.095 -0.795 1.00 0.00 C ATOM 1006 C SER A 59 -4.976 3.587 -0.223 1.00 0.00 C ATOM 1007 O SER A 59 -4.876 3.916 0.961 1.00 0.00 O ATOM 1008 CB SER A 59 -7.306 4.232 -0.916 1.00 0.00 C ATOM 1009 OG SER A 59 -8.459 3.851 -1.615 1.00 0.00 O ATOM 0 H SER A 59 -7.083 2.372 1.009 1.00 0.00 H new ATOM 0 HA SER A 59 -6.152 2.701 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.584 4.577 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.836 5.073 -1.425 1.00 0.00 H new ATOM 0 HG SER A 59 -9.075 4.611 -1.669 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.948 3.596 -1.071 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.585 3.969 -0.699 1.00 0.00 C ATOM 1017 C ILE A 60 -2.159 5.181 -1.537 1.00 0.00 C ATOM 1018 O ILE A 60 -2.230 5.142 -2.769 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.590 2.813 -0.908 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.966 1.619 -0.024 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.171 3.272 -0.611 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.140 0.381 -0.289 1.00 0.00 C ATOM 0 H ILE A 60 -4.042 3.339 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.575 4.214 0.363 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.638 2.499 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.853 1.903 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.019 1.382 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.519 2.442 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.094 4.092 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.107 3.611 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.464 -0.421 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.272 0.071 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.088 0.600 -0.107 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.770 6.280 -0.875 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.217 7.444 -1.572 1.00 0.00 C ATOM 1036 C ARG A 61 0.268 7.540 -1.222 1.00 0.00 C ATOM 1037 O ARG A 61 0.642 7.474 -0.044 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.955 8.765 -1.191 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.528 9.966 -2.073 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.257 11.285 -1.771 1.00 0.00 C ATOM 1041 NE ARG A 61 -1.942 12.288 -2.809 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.165 13.610 -2.744 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -2.723 14.162 -1.666 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -1.830 14.374 -3.780 1.00 0.00 N ATOM 0 H ARG A 61 -1.829 6.385 0.138 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.354 7.314 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.031 8.615 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.756 8.999 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.456 10.124 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.695 9.707 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.333 11.115 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.959 11.658 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.510 11.939 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.988 13.578 -0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.885 15.169 -1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.410 13.954 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.993 15.380 -3.746 1.00 0.00 H new ATOM 1058 N VAL A 62 1.101 7.678 -2.255 1.00 0.00 N ATOM 1059 CA VAL A 62 2.556 7.650 -2.115 1.00 0.00 C ATOM 1060 C VAL A 62 3.050 9.106 -2.279 1.00 0.00 C ATOM 1061 O VAL A 62 2.499 9.857 -3.102 1.00 0.00 O ATOM 1062 CB VAL A 62 3.232 6.733 -3.152 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.011 7.267 -4.559 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.719 6.603 -2.861 1.00 0.00 C ATOM 0 H VAL A 62 0.783 7.813 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 62 2.820 7.242 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 62 2.780 5.744 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.495 6.607 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.942 7.310 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.437 8.267 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.180 5.952 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.185 7.587 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.859 6.177 -1.868 1.00 0.00 H new ATOM 1074 N LYS A 63 4.042 9.524 -1.480 1.00 0.00 N ATOM 1075 CA LYS A 63 4.561 10.904 -1.539 1.00 0.00 C ATOM 1076 C LYS A 63 5.595 10.971 -2.666 1.00 0.00 C ATOM 1077 O LYS A 63 6.507 10.134 -2.751 1.00 0.00 O ATOM 1078 CB LYS A 63 5.180 11.327 -0.206 1.00 0.00 C ATOM 1079 CG LYS A 63 5.569 12.798 -0.132 1.00 0.00 C ATOM 1080 CD LYS A 63 6.204 13.136 1.208 1.00 0.00 C ATOM 1081 CE LYS A 63 6.316 14.640 1.405 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.896 14.987 2.731 1.00 0.00 N ATOM 0 H LYS A 63 4.501 8.932 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 63 3.742 11.595 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.473 11.110 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.066 10.720 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.266 13.033 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.686 13.418 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.609 12.705 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.195 12.685 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.937 15.064 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.329 15.092 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.637 15.964 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.525 14.337 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.932 14.903 2.690 1.00 0.00 H new ATOM 1096 N HIS A 64 5.430 11.987 -3.521 1.00 0.00 N ATOM 1097 CA HIS A 64 6.254 12.204 -4.709 1.00 0.00 C ATOM 1098 C HIS A 64 7.254 13.327 -4.402 1.00 0.00 C ATOM 1099 O HIS A 64 6.949 14.249 -3.636 1.00 0.00 O ATOM 1100 CB HIS A 64 5.395 12.557 -5.927 1.00 0.00 C ATOM 1101 CG HIS A 64 4.282 11.587 -6.181 1.00 0.00 C ATOM 1102 ND1 HIS A 64 4.478 10.381 -6.820 1.00 0.00 N ATOM 1103 CD2 HIS A 64 2.963 11.646 -5.882 1.00 0.00 C ATOM 1104 CE1 HIS A 64 3.327 9.739 -6.902 1.00 0.00 C ATOM 1105 NE2 HIS A 64 2.392 10.485 -6.342 1.00 0.00 N ATOM 0 H HIS A 64 4.704 12.694 -3.401 1.00 0.00 H new ATOM 0 HA HIS A 64 6.788 11.286 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.973 13.552 -5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.033 12.603 -6.809 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.455 12.454 -5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.176 8.768 -7.351 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.405 10.239 -6.264 1.00 0.00 H new ATOM 1113 N SER A 65 8.462 13.196 -4.964 1.00 0.00 N ATOM 1114 CA SER A 65 9.594 14.102 -4.707 1.00 0.00 C ATOM 1115 C SER A 65 9.311 15.521 -5.245 1.00 0.00 C ATOM 1116 O SER A 65 9.591 16.526 -4.576 1.00 0.00 O ATOM 1117 CB SER A 65 10.858 13.543 -5.329 1.00 0.00 C ATOM 1118 OG SER A 65 11.241 12.329 -4.744 1.00 0.00 O ATOM 0 H SER A 65 8.686 12.448 -5.620 1.00 0.00 H new ATOM 0 HA SER A 65 9.730 14.177 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.701 13.396 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.665 14.267 -5.222 1.00 0.00 H new ATOM 0 HG SER A 65 10.751 11.593 -5.167 1.00 0.00 H new ATOM 1124 N ASP A 66 8.718 15.565 -6.442 1.00 0.00 N ATOM 1125 CA ASP A 66 8.426 16.808 -7.186 1.00 0.00 C ATOM 1126 C ASP A 66 7.391 16.496 -8.280 1.00 0.00 C ATOM 1127 O ASP A 66 7.109 15.327 -8.527 1.00 0.00 O ATOM 1128 CB ASP A 66 9.698 17.400 -7.799 1.00 0.00 C ATOM 1129 CG ASP A 66 9.606 18.884 -8.125 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.556 19.451 -7.934 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.622 19.473 -8.410 1.00 0.00 O ATOM 0 H ASP A 66 8.419 14.724 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 66 8.024 17.552 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.527 17.243 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.935 16.854 -8.712 1.00 0.00 H new ATOM 1136 N ALA A 67 6.836 17.544 -8.934 1.00 0.00 N ATOM 1137 CA ALA A 67 5.827 17.396 -10.012 1.00 0.00 C ATOM 1138 C ALA A 67 6.394 16.700 -11.275 1.00 0.00 C ATOM 1139 O ALA A 67 5.679 15.953 -11.945 1.00 0.00 O ATOM 1140 CB ALA A 67 5.206 18.763 -10.358 1.00 0.00 C ATOM 0 H ALA A 67 7.074 18.515 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 67 5.044 16.741 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.468 18.637 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.722 19.177 -9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.988 19.443 -10.695 1.00 0.00 H new ATOM 1146 N ALA A 68 7.678 16.942 -11.584 1.00 0.00 N ATOM 1147 CA ALA A 68 8.397 16.253 -12.682 1.00 0.00 C ATOM 1148 C ALA A 68 8.677 14.785 -12.303 1.00 0.00 C ATOM 1149 O ALA A 68 8.529 13.874 -13.129 1.00 0.00 O ATOM 1150 CB ALA A 68 9.711 16.989 -13.005 1.00 0.00 C ATOM 0 H ALA A 68 8.252 17.620 -11.083 1.00 0.00 H new ATOM 0 HA ALA A 68 7.767 16.264 -13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.228 16.472 -13.813 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.490 18.011 -13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.346 17.005 -12.119 1.00 0.00 H new ATOM 1156 N GLU A 69 9.054 14.582 -11.024 1.00 0.00 N ATOM 1157 CA GLU A 69 9.502 13.272 -10.495 1.00 0.00 C ATOM 1158 C GLU A 69 8.335 12.258 -10.386 1.00 0.00 C ATOM 1159 O GLU A 69 8.508 11.067 -10.670 1.00 0.00 O ATOM 1160 CB GLU A 69 10.163 13.451 -9.127 1.00 0.00 C ATOM 1161 CG GLU A 69 11.498 14.181 -9.166 1.00 0.00 C ATOM 1162 CD GLU A 69 12.487 13.464 -10.043 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.683 12.289 -9.847 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.963 14.061 -10.980 1.00 0.00 O ATOM 0 H GLU A 69 9.057 15.324 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 69 10.227 12.869 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.482 13.999 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.312 12.469 -8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.350 15.196 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.899 14.265 -8.156 1.00 0.00 H new ATOM 1171 N GLU A 70 7.144 12.764 -9.999 1.00 0.00 N ATOM 1172 CA GLU A 70 5.974 11.926 -9.664 1.00 0.00 C ATOM 1173 C GLU A 70 5.608 10.998 -10.828 1.00 0.00 C ATOM 1174 O GLU A 70 5.019 9.949 -10.610 1.00 0.00 O ATOM 1175 CB GLU A 70 4.772 12.797 -9.293 1.00 0.00 C ATOM 1176 CG GLU A 70 4.200 13.604 -10.451 1.00 0.00 C ATOM 1177 CD GLU A 70 3.048 14.460 -10.004 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.748 14.456 -8.834 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.540 15.205 -10.809 1.00 0.00 O ATOM 0 H GLU A 70 6.968 13.765 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 70 6.243 11.312 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.987 12.158 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.067 13.483 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.980 14.234 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.869 12.928 -11.240 1.00 0.00 H new ATOM 1186 N LYS A 71 5.950 11.406 -12.069 1.00 0.00 N ATOM 1187 CA LYS A 71 5.623 10.632 -13.286 1.00 0.00 C ATOM 1188 C LYS A 71 6.372 9.292 -13.269 1.00 0.00 C ATOM 1189 O LYS A 71 5.776 8.233 -13.487 1.00 0.00 O ATOM 1190 CB LYS A 71 5.973 11.421 -14.548 1.00 0.00 C ATOM 1191 CG LYS A 71 5.083 12.630 -14.801 1.00 0.00 C ATOM 1192 CD LYS A 71 5.490 13.359 -16.074 1.00 0.00 C ATOM 1193 CE LYS A 71 4.627 14.590 -16.306 1.00 0.00 C ATOM 1194 NZ LYS A 71 5.029 15.327 -17.535 1.00 0.00 N ATOM 0 H LYS A 71 6.455 12.272 -12.255 1.00 0.00 H new ATOM 0 HA LYS A 71 4.550 10.441 -13.296 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.008 11.755 -14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.912 10.754 -15.408 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.044 12.310 -14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.143 13.313 -13.953 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.537 13.654 -16.008 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.402 12.685 -16.926 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.582 14.290 -16.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.702 15.253 -15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.417 16.159 -17.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.018 15.635 -17.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.933 14.703 -18.361 1.00 0.00 H new ATOM 1208 N LYS A 72 7.685 9.360 -12.979 1.00 0.00 N ATOM 1209 CA LYS A 72 8.554 8.181 -12.929 1.00 0.00 C ATOM 1210 C LYS A 72 8.267 7.379 -11.653 1.00 0.00 C ATOM 1211 O LYS A 72 8.156 6.164 -11.704 1.00 0.00 O ATOM 1212 CB LYS A 72 10.028 8.588 -12.986 1.00 0.00 C ATOM 1213 CG LYS A 72 10.476 9.143 -14.332 1.00 0.00 C ATOM 1214 CD LYS A 72 11.957 9.491 -14.322 1.00 0.00 C ATOM 1215 CE LYS A 72 12.399 10.074 -15.656 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.841 10.439 -15.654 1.00 0.00 N ATOM 0 H LYS A 72 8.168 10.235 -12.774 1.00 0.00 H new ATOM 0 HA LYS A 72 8.345 7.556 -13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.215 9.338 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.642 7.721 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.278 8.410 -15.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.893 10.032 -14.573 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.159 10.207 -13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.541 8.597 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.209 9.350 -16.449 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.802 10.957 -15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.101 10.832 -16.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.018 11.149 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.413 9.592 -15.465 1.00 0.00 H new ATOM 1230 N GLU A 73 8.069 8.110 -10.538 1.00 0.00 N ATOM 1231 CA GLU A 73 7.889 7.523 -9.195 1.00 0.00 C ATOM 1232 C GLU A 73 6.561 6.758 -9.027 1.00 0.00 C ATOM 1233 O GLU A 73 6.553 5.715 -8.386 1.00 0.00 O ATOM 1234 CB GLU A 73 7.982 8.622 -8.135 1.00 0.00 C ATOM 1235 CG GLU A 73 9.375 9.209 -7.958 1.00 0.00 C ATOM 1236 CD GLU A 73 9.391 10.267 -6.891 1.00 0.00 C ATOM 1237 OE1 GLU A 73 8.581 11.160 -6.954 1.00 0.00 O ATOM 1238 OE2 GLU A 73 10.137 10.124 -5.951 1.00 0.00 O ATOM 0 H GLU A 73 8.029 9.129 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 73 8.688 6.793 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.294 9.425 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.647 8.218 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.076 8.416 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.714 9.636 -8.902 1.00 0.00 H new ATOM 1245 N ALA A 74 5.461 7.265 -9.605 1.00 0.00 N ATOM 1246 CA ALA A 74 4.143 6.588 -9.549 1.00 0.00 C ATOM 1247 C ALA A 74 4.187 5.236 -10.282 1.00 0.00 C ATOM 1248 O ALA A 74 3.716 4.234 -9.754 1.00 0.00 O ATOM 1249 CB ALA A 74 3.033 7.478 -10.132 1.00 0.00 C ATOM 0 H ALA A 74 5.452 8.145 -10.120 1.00 0.00 H new ATOM 0 HA ALA A 74 3.913 6.404 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.079 6.953 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.971 8.404 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.260 7.708 -11.173 1.00 0.00 H new ATOM 1255 N LYS A 75 4.741 5.238 -11.514 1.00 0.00 N ATOM 1256 CA LYS A 75 4.922 4.013 -12.339 1.00 0.00 C ATOM 1257 C LYS A 75 5.862 2.996 -11.632 1.00 0.00 C ATOM 1258 O LYS A 75 5.588 1.787 -11.584 1.00 0.00 O ATOM 1259 CB LYS A 75 5.475 4.373 -13.718 1.00 0.00 C ATOM 1260 CG LYS A 75 5.652 3.184 -14.655 1.00 0.00 C ATOM 1261 CD LYS A 75 6.131 3.628 -16.028 1.00 0.00 C ATOM 1262 CE LYS A 75 6.342 2.438 -16.953 1.00 0.00 C ATOM 1263 NZ LYS A 75 6.832 2.857 -18.295 1.00 0.00 N ATOM 0 H LYS A 75 5.077 6.087 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 75 3.945 3.545 -12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.806 5.094 -14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.438 4.867 -13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.369 2.484 -14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.706 2.651 -14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.401 4.308 -16.468 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.064 4.183 -15.928 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.059 1.751 -16.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.404 1.893 -17.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.963 2.017 -18.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.136 3.492 -18.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.740 3.355 -18.193 1.00 0.00 H new ATOM 1277 N LYS A 76 6.961 3.535 -11.092 1.00 0.00 N ATOM 1278 CA LYS A 76 8.020 2.789 -10.373 1.00 0.00 C ATOM 1279 C LYS A 76 7.436 2.086 -9.138 1.00 0.00 C ATOM 1280 O LYS A 76 7.574 0.867 -8.973 1.00 0.00 O ATOM 1281 CB LYS A 76 9.159 3.722 -9.957 1.00 0.00 C ATOM 1282 CG LYS A 76 10.298 3.035 -9.215 1.00 0.00 C ATOM 1283 CD LYS A 76 11.401 4.020 -8.860 1.00 0.00 C ATOM 1284 CE LYS A 76 12.521 3.341 -8.084 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.594 4.299 -7.703 1.00 0.00 N ATOM 0 H LYS A 76 7.151 4.536 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 76 8.422 2.036 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.561 4.204 -10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.753 4.511 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.915 2.572 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.707 2.235 -9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.803 4.462 -9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.987 4.835 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.112 2.879 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.947 2.540 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.337 3.797 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.003 4.721 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.193 5.049 -7.105 1.00 0.00 H new ATOM 1299 N PHE A 77 6.724 2.880 -8.318 1.00 0.00 N ATOM 1300 CA PHE A 77 6.103 2.425 -7.062 1.00 0.00 C ATOM 1301 C PHE A 77 4.920 1.489 -7.355 1.00 0.00 C ATOM 1302 O PHE A 77 4.663 0.569 -6.593 1.00 0.00 O ATOM 1303 CB PHE A 77 5.642 3.659 -6.242 1.00 0.00 C ATOM 1304 CG PHE A 77 5.428 3.422 -4.753 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.518 3.294 -3.893 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.144 3.366 -4.200 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.332 3.101 -2.545 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.965 3.171 -2.844 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.055 3.046 -2.018 1.00 0.00 C ATOM 0 H PHE A 77 6.562 3.868 -8.512 1.00 0.00 H new ATOM 0 HA PHE A 77 6.834 1.864 -6.479 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.383 4.449 -6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.710 4.028 -6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.521 3.347 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.282 3.477 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.187 2.992 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.968 3.117 -2.433 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.915 2.905 -0.957 1.00 0.00 H new ATOM 1319 N ALA A 78 4.236 1.734 -8.491 1.00 0.00 N ATOM 1320 CA ALA A 78 3.128 0.896 -8.979 1.00 0.00 C ATOM 1321 C ALA A 78 3.586 -0.559 -9.142 1.00 0.00 C ATOM 1322 O ALA A 78 2.864 -1.485 -8.772 1.00 0.00 O ATOM 1323 CB ALA A 78 2.592 1.442 -10.310 1.00 0.00 C ATOM 0 H ALA A 78 4.441 2.527 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 78 2.324 0.923 -8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.773 0.812 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.231 2.460 -10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.391 1.442 -11.052 1.00 0.00 H new ATOM 1329 N ALA A 79 4.817 -0.727 -9.680 1.00 0.00 N ATOM 1330 CA ALA A 79 5.490 -2.034 -9.789 1.00 0.00 C ATOM 1331 C ALA A 79 5.808 -2.607 -8.392 1.00 0.00 C ATOM 1332 O ALA A 79 5.617 -3.803 -8.145 1.00 0.00 O ATOM 1333 CB ALA A 79 6.770 -1.898 -10.630 1.00 0.00 C ATOM 0 H ALA A 79 5.370 0.046 -10.051 1.00 0.00 H new ATOM 0 HA ALA A 79 4.818 -2.732 -10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.261 -2.868 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.514 -1.543 -11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.444 -1.186 -10.154 1.00 0.00 H new ATOM 1339 N ILE A 80 6.276 -1.716 -7.484 1.00 0.00 N ATOM 1340 CA ILE A 80 6.647 -2.078 -6.094 1.00 0.00 C ATOM 1341 C ILE A 80 5.434 -2.653 -5.331 1.00 0.00 C ATOM 1342 O ILE A 80 5.501 -3.764 -4.797 1.00 0.00 O ATOM 1343 CB ILE A 80 7.203 -0.869 -5.321 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.495 -0.367 -5.971 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.442 -1.234 -3.864 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.612 -1.387 -5.974 1.00 0.00 C ATOM 0 H ILE A 80 6.407 -0.727 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 80 7.426 -2.837 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 80 6.467 -0.066 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.283 -0.071 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.832 0.526 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.835 -0.368 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.502 -1.544 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.160 -2.052 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.494 -0.959 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.853 -1.666 -4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.295 -2.272 -6.526 1.00 0.00 H new ATOM 1358 N LEU A 81 4.306 -1.903 -5.355 1.00 0.00 N ATOM 1359 CA LEU A 81 3.042 -2.300 -4.697 1.00 0.00 C ATOM 1360 C LEU A 81 2.447 -3.559 -5.360 1.00 0.00 C ATOM 1361 O LEU A 81 1.889 -4.402 -4.669 1.00 0.00 O ATOM 1362 CB LEU A 81 2.033 -1.145 -4.741 1.00 0.00 C ATOM 1363 CG LEU A 81 2.323 0.013 -3.778 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.347 1.155 -4.025 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.222 -0.482 -2.343 1.00 0.00 C ATOM 0 H LEU A 81 4.249 -1.004 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 81 3.260 -2.536 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.999 -0.752 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.042 -1.541 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 81 3.333 0.385 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.561 1.972 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.452 1.508 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.328 0.804 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.428 0.341 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.218 -0.863 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.948 -1.279 -2.181 1.00 0.00 H new ATOM 1377 N ASN A 82 2.606 -3.670 -6.700 1.00 0.00 N ATOM 1378 CA ASN A 82 2.126 -4.830 -7.496 1.00 0.00 C ATOM 1379 C ASN A 82 2.791 -6.121 -7.017 1.00 0.00 C ATOM 1380 O ASN A 82 2.130 -7.146 -6.842 1.00 0.00 O ATOM 1381 CB ASN A 82 2.369 -4.642 -8.982 1.00 0.00 C ATOM 1382 CG ASN A 82 1.904 -5.798 -9.823 1.00 0.00 C ATOM 1383 OD1 ASN A 82 2.710 -6.579 -10.343 1.00 0.00 O ATOM 1384 ND2 ASN A 82 0.613 -5.864 -10.029 1.00 0.00 N ATOM 0 H ASN A 82 3.071 -2.958 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 82 1.049 -4.900 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.860 -3.736 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.435 -4.488 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.231 -6.584 -10.642 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.011 -5.196 -9.576 1.00 0.00 H new ATOM 1391 N LYS A 83 4.113 -6.022 -6.774 1.00 0.00 N ATOM 1392 CA LYS A 83 4.932 -7.147 -6.296 1.00 0.00 C ATOM 1393 C LYS A 83 4.560 -7.507 -4.844 1.00 0.00 C ATOM 1394 O LYS A 83 4.387 -8.678 -4.514 1.00 0.00 O ATOM 1395 CB LYS A 83 6.421 -6.811 -6.396 1.00 0.00 C ATOM 1396 CG LYS A 83 6.961 -6.761 -7.819 1.00 0.00 C ATOM 1397 CD LYS A 83 8.442 -6.413 -7.837 1.00 0.00 C ATOM 1398 CE LYS A 83 8.973 -6.325 -9.261 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.416 -5.964 -9.295 1.00 0.00 N ATOM 0 H LYS A 83 4.640 -5.159 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 83 4.730 -8.010 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.596 -5.846 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.987 -7.552 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.806 -7.725 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.405 -6.022 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.600 -5.462 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.002 -7.167 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.826 -7.282 -9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.400 -5.583 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.738 -5.915 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.553 -5.039 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.966 -6.686 -8.787 1.00 0.00 H new ATOM 1413 N VAL A 84 4.364 -6.462 -4.015 1.00 0.00 N ATOM 1414 CA VAL A 84 4.009 -6.593 -2.592 1.00 0.00 C ATOM 1415 C VAL A 84 2.613 -7.238 -2.437 1.00 0.00 C ATOM 1416 O VAL A 84 2.467 -8.236 -1.730 1.00 0.00 O ATOM 1417 CB VAL A 84 4.024 -5.229 -1.876 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.399 -5.346 -0.494 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.445 -4.696 -1.773 1.00 0.00 C ATOM 0 H VAL A 84 4.449 -5.493 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 84 4.760 -7.234 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 84 3.434 -4.526 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.418 -4.373 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.367 -5.685 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.963 -6.064 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.436 -3.732 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.057 -5.399 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.862 -4.575 -2.773 1.00 0.00 H new ATOM 1429 N PHE A 85 1.619 -6.683 -3.162 1.00 0.00 N ATOM 1430 CA PHE A 85 0.208 -7.141 -3.127 1.00 0.00 C ATOM 1431 C PHE A 85 0.062 -8.575 -3.681 1.00 0.00 C ATOM 1432 O PHE A 85 -0.730 -9.369 -3.157 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.686 -6.184 -3.919 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.094 -4.960 -3.150 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.777 -5.074 -1.949 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.794 -3.692 -3.625 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.154 -3.950 -1.240 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.169 -2.565 -2.918 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.849 -2.694 -1.725 1.00 0.00 C ATOM 0 H PHE A 85 1.771 -5.897 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.108 -7.147 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.161 -5.876 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.582 -6.718 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.017 -6.054 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.261 -3.584 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.687 -4.054 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.930 -1.583 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.142 -1.814 -1.171 1.00 0.00 H new ATOM 1449 N ALA A 86 0.846 -8.881 -4.733 1.00 0.00 N ATOM 1450 CA ALA A 86 0.898 -10.225 -5.352 1.00 0.00 C ATOM 1451 C ALA A 86 1.407 -11.293 -4.364 1.00 0.00 C ATOM 1452 O ALA A 86 1.058 -12.466 -4.475 1.00 0.00 O ATOM 1453 CB ALA A 86 1.792 -10.207 -6.603 1.00 0.00 C ATOM 0 H ALA A 86 1.463 -8.203 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.121 -10.488 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.819 -11.203 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.390 -9.499 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.802 -9.906 -6.324 1.00 0.00 H new ATOM 1459 N GLU A 87 2.269 -10.873 -3.420 1.00 0.00 N ATOM 1460 CA GLU A 87 2.801 -11.749 -2.354 1.00 0.00 C ATOM 1461 C GLU A 87 1.802 -11.907 -1.187 1.00 0.00 C ATOM 1462 O GLU A 87 1.925 -12.842 -0.391 1.00 0.00 O ATOM 1463 CB GLU A 87 4.131 -11.202 -1.831 1.00 0.00 C ATOM 1464 CG GLU A 87 5.274 -11.263 -2.834 1.00 0.00 C ATOM 1465 CD GLU A 87 5.580 -12.681 -3.227 1.00 0.00 C ATOM 1466 OE1 GLU A 87 5.837 -13.477 -2.357 1.00 0.00 O ATOM 1467 OE2 GLU A 87 5.446 -12.997 -4.386 1.00 0.00 O ATOM 0 H GLU A 87 2.618 -9.916 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 87 2.961 -12.734 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.988 -10.166 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.415 -11.762 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.014 -10.686 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.163 -10.803 -2.404 1.00 0.00 H new ATOM 1474 N LEU A 88 0.802 -11.009 -1.099 1.00 0.00 N ATOM 1475 CA LEU A 88 -0.123 -10.947 0.063 1.00 0.00 C ATOM 1476 C LEU A 88 -1.478 -11.602 -0.288 1.00 0.00 C ATOM 1477 O LEU A 88 -2.349 -11.749 0.581 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.330 -9.494 0.507 1.00 0.00 C ATOM 1479 CG LEU A 88 0.928 -8.783 1.023 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.618 -7.322 1.318 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.437 -9.490 2.271 1.00 0.00 C ATOM 0 H LEU A 88 0.609 -10.312 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 88 0.324 -11.500 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.729 -8.927 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.086 -9.475 1.292 1.00 0.00 H new ATOM 0 HG LEU A 88 1.705 -8.819 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.517 -6.826 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.278 -6.831 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.163 -7.262 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.331 -8.984 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.666 -9.468 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.679 -10.525 2.030 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.645 -11.977 -1.572 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.836 -12.687 -2.049 1.00 0.00 C ATOM 1495 C GLY A 89 -3.811 -11.793 -2.810 1.00 0.00 C ATOM 1496 O GLY A 89 -4.980 -12.152 -2.971 1.00 0.00 O ATOM 0 H GLY A 89 -0.956 -11.794 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.526 -13.507 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.351 -13.131 -1.197 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.340 -10.614 -3.261 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.161 -9.680 -4.056 1.00 0.00 C ATOM 1502 C TYR A 90 -3.866 -9.915 -5.540 1.00 0.00 C ATOM 1503 O TYR A 90 -2.694 -10.062 -5.927 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.878 -8.225 -3.674 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.358 -7.849 -2.291 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.658 -7.411 -2.084 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.512 -7.932 -1.195 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.102 -7.065 -0.822 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.945 -7.590 0.071 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.243 -7.156 0.253 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.680 -6.813 1.512 1.00 0.00 O ATOM 0 H TYR A 90 -2.390 -10.285 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.215 -9.865 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.805 -8.046 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.354 -7.569 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.334 -7.339 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.496 -8.270 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.117 -6.725 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.273 -7.662 0.913 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.641 -6.990 1.584 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.925 -9.927 -6.359 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.828 -10.116 -7.817 1.00 0.00 C ATOM 1523 C ASN A 91 -4.635 -8.753 -8.516 1.00 0.00 C ATOM 1524 O ASN A 91 -5.080 -7.722 -7.994 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.046 -10.833 -8.371 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.143 -12.274 -7.952 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.137 -12.918 -7.631 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.336 -12.806 -8.030 1.00 0.00 N ATOM 0 H ASN A 91 -5.882 -9.805 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.961 -10.745 -8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.944 -10.308 -8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.023 -10.781 -9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.468 -13.796 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.134 -12.231 -8.300 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.972 -8.783 -9.693 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.730 -7.609 -10.572 1.00 0.00 C ATOM 1537 C ASP A 92 -5.055 -6.913 -10.960 1.00 0.00 C ATOM 1538 O ASP A 92 -5.131 -5.683 -11.019 1.00 0.00 O ATOM 1539 CB ASP A 92 -2.974 -8.030 -11.834 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.506 -8.367 -11.605 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.007 -8.066 -10.547 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -0.942 -9.057 -12.419 1.00 0.00 O ATOM 0 H ASP A 92 -3.579 -9.645 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.122 -6.898 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.470 -8.898 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.040 -7.226 -12.567 1.00 0.00 H new ATOM 1547 N SER A 93 -6.095 -7.738 -11.175 1.00 0.00 N ATOM 1548 CA SER A 93 -7.466 -7.296 -11.528 1.00 0.00 C ATOM 1549 C SER A 93 -8.210 -6.600 -10.357 1.00 0.00 C ATOM 1550 O SER A 93 -9.341 -6.132 -10.522 1.00 0.00 O ATOM 1551 CB SER A 93 -8.270 -8.485 -12.017 1.00 0.00 C ATOM 1552 OG SER A 93 -8.484 -9.427 -11.003 1.00 0.00 O ATOM 0 H SER A 93 -6.010 -8.752 -11.108 1.00 0.00 H new ATOM 0 HA SER A 93 -7.366 -6.550 -12.316 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.230 -8.140 -12.400 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.747 -8.959 -12.848 1.00 0.00 H new ATOM 0 HG SER A 93 -9.007 -10.176 -11.358 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.561 -6.557 -9.179 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.105 -5.941 -7.945 1.00 0.00 C ATOM 1560 C ASN A 94 -7.361 -4.642 -7.575 1.00 0.00 C ATOM 1561 O ASN A 94 -7.621 -4.049 -6.520 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.065 -6.912 -6.779 1.00 0.00 C ATOM 1563 CG ASN A 94 -8.996 -8.083 -6.935 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -10.047 -7.985 -7.578 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.656 -9.164 -6.280 1.00 0.00 N ATOM 0 H ASN A 94 -6.630 -6.954 -9.051 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.145 -5.688 -8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.047 -7.282 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.318 -6.377 -5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.271 -9.978 -6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.776 -9.193 -5.765 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.427 -4.215 -8.436 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.601 -3.016 -8.215 1.00 0.00 C ATOM 1574 C VAL A 95 -5.930 -1.952 -9.289 1.00 0.00 C ATOM 1575 O VAL A 95 -5.822 -2.218 -10.488 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.096 -3.343 -8.256 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.272 -2.082 -8.040 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.749 -4.389 -7.209 1.00 0.00 C ATOM 0 H VAL A 95 -6.221 -4.694 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.833 -2.630 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.858 -3.748 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.211 -2.331 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.499 -1.360 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.515 -1.651 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.682 -4.607 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.002 -4.010 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.314 -5.300 -7.404 1.00 0.00 H new ATOM 1588 N THR A 96 -6.368 -0.763 -8.836 1.00 0.00 N ATOM 1589 CA THR A 96 -6.705 0.379 -9.709 1.00 0.00 C ATOM 1590 C THR A 96 -5.873 1.627 -9.326 1.00 0.00 C ATOM 1591 O THR A 96 -5.982 2.108 -8.209 1.00 0.00 O ATOM 1592 CB THR A 96 -8.203 0.726 -9.635 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.979 -0.405 -10.049 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.521 1.912 -10.533 1.00 0.00 C ATOM 0 H THR A 96 -6.500 -0.565 -7.844 1.00 0.00 H new ATOM 0 HA THR A 96 -6.466 0.082 -10.730 1.00 0.00 H new ATOM 0 HB THR A 96 -8.450 0.987 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.932 -0.183 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.584 2.143 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.941 2.777 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.266 1.667 -11.564 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.045 2.138 -10.249 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.299 3.403 -10.053 1.00 0.00 C ATOM 1604 C TRP A 97 -5.083 4.597 -10.591 1.00 0.00 C ATOM 1605 O TRP A 97 -5.675 4.535 -11.678 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.917 3.339 -10.752 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.840 2.768 -9.868 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.485 1.452 -9.732 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.997 3.505 -8.964 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.485 1.339 -8.799 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.160 2.578 -8.328 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.864 4.867 -8.641 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.788 2.953 -7.383 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.085 5.242 -7.703 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.903 4.284 -7.087 1.00 0.00 C ATOM 0 H TRP A 97 -4.870 1.693 -11.150 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.155 3.532 -8.980 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.999 2.733 -11.654 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.628 4.342 -11.067 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.925 0.629 -10.276 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.052 0.464 -8.503 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.490 5.608 -9.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.413 2.218 -6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.196 6.284 -7.443 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.639 4.603 -6.364 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.050 5.698 -9.815 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.540 7.019 -10.235 1.00 0.00 C ATOM 1628 C ASP A 98 -4.376 8.023 -10.117 1.00 0.00 C ATOM 1629 O ASP A 98 -4.388 8.903 -9.250 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.733 7.463 -9.387 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.411 8.738 -9.875 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.084 9.188 -10.947 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.354 9.161 -9.250 1.00 0.00 O ATOM 0 H ASP A 98 -4.676 5.691 -8.866 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.887 6.971 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.469 6.659 -9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.398 7.614 -8.361 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.361 7.822 -10.996 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.211 8.742 -11.209 1.00 0.00 C ATOM 1640 C GLY A 99 -1.590 9.423 -9.975 1.00 0.00 C ATOM 1641 O GLY A 99 -1.029 10.520 -10.103 1.00 0.00 O ATOM 0 H GLY A 99 -3.318 6.995 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.424 8.181 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.533 9.525 -11.896 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.637 8.767 -8.795 1.00 0.00 N ATOM 1646 CA ASP A 100 -1.124 9.340 -7.521 1.00 0.00 C ATOM 1647 C ASP A 100 -1.512 8.447 -6.330 1.00 0.00 C ATOM 1648 O ASP A 100 -0.692 8.159 -5.443 1.00 0.00 O ATOM 1649 CB ASP A 100 -1.656 10.760 -7.307 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.030 11.494 -6.130 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -0.203 10.916 -5.464 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -1.261 12.673 -6.000 1.00 0.00 O ATOM 0 H ASP A 100 -2.028 7.831 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.037 9.384 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.485 11.340 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.735 10.712 -7.158 1.00 0.00 H new ATOM 1657 N THR A 101 -2.785 8.020 -6.334 1.00 0.00 N ATOM 1658 CA THR A 101 -3.381 7.163 -5.290 1.00 0.00 C ATOM 1659 C THR A 101 -3.909 5.863 -5.932 1.00 0.00 C ATOM 1660 O THR A 101 -4.539 5.909 -6.994 1.00 0.00 O ATOM 1661 CB THR A 101 -4.526 7.872 -4.546 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.034 9.074 -3.939 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.106 6.966 -3.470 1.00 0.00 C ATOM 0 H THR A 101 -3.442 8.264 -7.075 1.00 0.00 H new ATOM 0 HA THR A 101 -2.603 6.936 -4.561 1.00 0.00 H new ATOM 0 HB THR A 101 -5.310 8.114 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.765 9.525 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.914 7.485 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.493 6.057 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.326 6.707 -2.754 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.626 4.708 -5.299 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.070 3.391 -5.784 1.00 0.00 C ATOM 1673 C VAL A 102 -5.094 2.749 -4.803 1.00 0.00 C ATOM 1674 O VAL A 102 -4.902 2.749 -3.590 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.878 2.435 -5.979 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.126 2.249 -4.669 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.354 1.093 -6.513 1.00 0.00 C ATOM 0 H VAL A 102 -3.083 4.664 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.553 3.551 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.198 2.875 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.287 1.571 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.754 3.213 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.798 1.829 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.499 0.430 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.053 0.647 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.851 1.239 -7.472 1.00 0.00 H new ATOM 1687 N THR A 103 -6.197 2.222 -5.360 1.00 0.00 N ATOM 1688 CA THR A 103 -7.260 1.535 -4.618 1.00 0.00 C ATOM 1689 C THR A 103 -7.210 0.026 -4.945 1.00 0.00 C ATOM 1690 O THR A 103 -7.270 -0.381 -6.109 1.00 0.00 O ATOM 1691 CB THR A 103 -8.654 2.096 -4.957 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.716 3.481 -4.592 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.734 1.330 -4.209 1.00 0.00 C ATOM 0 H THR A 103 -6.376 2.264 -6.363 1.00 0.00 H new ATOM 0 HA THR A 103 -7.092 1.699 -3.554 1.00 0.00 H new ATOM 0 HB THR A 103 -8.822 1.987 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.647 3.566 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.712 1.740 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.698 0.278 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.568 1.421 -3.136 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.052 -0.780 -3.894 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.862 -2.229 -3.979 1.00 0.00 C ATOM 1703 C VAL A 104 -7.914 -2.903 -3.105 1.00 0.00 C ATOM 1704 O VAL A 104 -8.064 -2.567 -1.924 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.455 -2.664 -3.530 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.313 -4.176 -3.614 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.390 -1.983 -4.376 1.00 0.00 C ATOM 0 H VAL A 104 -7.053 -0.434 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.968 -2.529 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.317 -2.361 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.312 -4.466 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.053 -4.647 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.472 -4.500 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.402 -2.303 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.527 -2.256 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.477 -0.902 -4.269 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.644 -3.843 -3.692 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.711 -4.571 -2.999 1.00 0.00 C ATOM 1719 C GLU A 105 -9.341 -6.053 -2.934 1.00 0.00 C ATOM 1720 O GLU A 105 -8.692 -6.576 -3.847 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.055 -4.380 -3.704 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.547 -2.941 -3.742 1.00 0.00 C ATOM 1723 CD GLU A 105 -12.894 -2.840 -4.402 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.019 -3.268 -5.524 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.827 -2.439 -3.745 1.00 0.00 O ATOM 0 H GLU A 105 -8.516 -4.126 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.815 -4.176 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.971 -4.749 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.804 -4.994 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.607 -2.548 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.829 -2.323 -4.281 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.710 -6.714 -1.839 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.477 -8.149 -1.700 1.00 0.00 C ATOM 1734 C GLY A 106 -10.167 -8.729 -0.486 1.00 0.00 C ATOM 1735 O GLY A 106 -10.689 -7.974 0.349 1.00 0.00 O ATOM 0 H GLY A 106 -10.170 -6.281 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.831 -8.660 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.405 -8.335 -1.629 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.192 -10.077 -0.405 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.853 -10.800 0.684 1.00 0.00 C ATOM 1741 C GLN A 107 -9.778 -11.082 1.749 1.00 0.00 C ATOM 1742 O GLN A 107 -8.594 -11.255 1.430 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.490 -12.102 0.192 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.612 -11.906 -0.812 1.00 0.00 C ATOM 1745 CD GLN A 107 -13.199 -13.220 -1.289 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.825 -14.294 -0.809 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -14.123 -13.145 -2.240 1.00 0.00 N ATOM 0 H GLN A 107 -9.753 -10.686 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.665 -10.202 1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.717 -12.723 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.878 -12.651 1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.399 -11.303 -0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.235 -11.347 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.403 -12.236 -2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.553 -13.996 -2.602 1.00 0.00 H new ATOM 1756 N LEU A 108 -10.204 -11.062 3.015 1.00 0.00 N ATOM 1757 CA LEU A 108 -9.319 -11.193 4.173 1.00 0.00 C ATOM 1758 C LEU A 108 -9.901 -12.208 5.174 1.00 0.00 C ATOM 1759 O LEU A 108 -11.124 -12.303 5.345 1.00 0.00 O ATOM 1760 CB LEU A 108 -9.149 -9.804 4.847 1.00 0.00 C ATOM 1761 CG LEU A 108 -8.170 -9.740 6.054 1.00 0.00 C ATOM 1762 CD1 LEU A 108 -6.705 -9.887 5.590 1.00 0.00 C ATOM 1763 CD2 LEU A 108 -8.392 -8.458 6.882 1.00 0.00 C ATOM 0 H LEU A 108 -11.186 -10.953 3.266 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.344 -11.555 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.808 -9.096 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.129 -9.464 5.183 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.383 -10.584 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.043 -9.839 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.577 -10.846 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.459 -9.080 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.694 -8.440 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.225 -7.584 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.414 -8.442 7.261 1.00 0.00 H new ATOM 1775 N GLU A 109 -9.005 -12.961 5.824 1.00 0.00 N ATOM 1776 CA GLU A 109 -9.330 -13.817 6.969 1.00 0.00 C ATOM 1777 C GLU A 109 -9.681 -12.997 8.234 1.00 0.00 C ATOM 1778 O GLU A 109 -9.501 -11.768 8.300 1.00 0.00 O ATOM 1779 CB GLU A 109 -8.163 -14.761 7.263 1.00 0.00 C ATOM 1780 CG GLU A 109 -6.921 -14.073 7.816 1.00 0.00 C ATOM 1781 CD GLU A 109 -5.822 -15.062 8.083 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -6.009 -16.221 7.800 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -4.755 -14.645 8.467 1.00 0.00 O ATOM 0 H GLU A 109 -8.019 -12.992 5.564 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.214 -14.396 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.493 -15.516 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.895 -15.285 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.573 -13.322 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.173 -13.549 8.738 1.00 0.00 H new ATOM 1790 N GLY A 110 -10.141 -13.739 9.243 1.00 0.00 N ATOM 1791 CA GLY A 110 -10.439 -13.222 10.562 1.00 0.00 C ATOM 1792 C GLY A 110 -11.702 -13.879 11.088 1.00 0.00 C ATOM 1793 O GLY A 110 -12.079 -14.963 10.627 1.00 0.00 O ATOM 0 H GLY A 110 -10.318 -14.740 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.606 -13.417 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.569 -12.141 10.520 1.00 0.00 H new ATOM 1797 N VAL A 111 -12.401 -13.191 11.997 1.00 0.00 N ATOM 1798 CA VAL A 111 -13.620 -13.698 12.672 1.00 0.00 C ATOM 1799 C VAL A 111 -14.887 -13.317 11.866 1.00 0.00 C ATOM 1800 O VAL A 111 -14.789 -12.604 10.866 1.00 0.00 O ATOM 1801 CB VAL A 111 -13.747 -13.148 14.106 1.00 0.00 C ATOM 1802 CG1 VAL A 111 -12.548 -13.567 14.946 1.00 0.00 C ATOM 1803 CG2 VAL A 111 -13.880 -11.633 14.087 1.00 0.00 C ATOM 0 H VAL A 111 -12.139 -12.251 12.295 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.530 -14.783 12.724 1.00 0.00 H new ATOM 0 HB VAL A 111 -14.647 -13.567 14.556 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.654 -13.170 15.956 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -12.495 -14.655 14.988 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.635 -13.176 14.497 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -13.969 -11.263 15.108 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.998 -11.196 13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -14.769 -11.353 13.521 1.00 0.00 H new ATOM 1813 N ASP A 112 -16.051 -13.873 12.283 1.00 0.00 N ATOM 1814 CA ASP A 112 -17.409 -13.593 11.710 1.00 0.00 C ATOM 1815 C ASP A 112 -17.674 -14.260 10.331 1.00 0.00 C ATOM 1816 O ASP A 112 -18.832 -14.388 9.911 1.00 0.00 O ATOM 1817 CB ASP A 112 -17.616 -12.081 11.583 1.00 0.00 C ATOM 1818 CG ASP A 112 -17.740 -11.349 12.913 1.00 0.00 C ATOM 1819 OD1 ASP A 112 -17.962 -11.998 13.907 1.00 0.00 O ATOM 1820 OD2 ASP A 112 -17.458 -10.175 12.950 1.00 0.00 O ATOM 0 H ASP A 112 -16.082 -14.548 13.047 1.00 0.00 H new ATOM 0 HA ASP A 112 -18.121 -14.034 12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -16.780 -11.658 11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.516 -11.898 10.996 1.00 0.00 H new ATOM 1825 N LEU A 113 -16.609 -14.698 9.656 1.00 0.00 N ATOM 1826 CA LEU A 113 -16.639 -15.127 8.235 1.00 0.00 C ATOM 1827 C LEU A 113 -17.601 -16.329 8.031 1.00 0.00 C ATOM 1828 O LEU A 113 -17.767 -17.148 8.941 1.00 0.00 O ATOM 1829 CB LEU A 113 -15.224 -15.488 7.761 1.00 0.00 C ATOM 1830 CG LEU A 113 -14.211 -14.337 7.798 1.00 0.00 C ATOM 1831 CD1 LEU A 113 -12.830 -14.846 7.406 1.00 0.00 C ATOM 1832 CD2 LEU A 113 -14.664 -13.228 6.860 1.00 0.00 C ATOM 0 H LEU A 113 -15.683 -14.770 10.077 1.00 0.00 H new ATOM 0 HA LEU A 113 -17.012 -14.295 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.847 -16.303 8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.285 -15.865 6.740 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.153 -13.936 8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -12.117 -14.022 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.517 -15.622 8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -12.867 -15.259 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -13.943 -12.411 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.733 -13.617 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -15.641 -12.861 7.176 1.00 0.00 H new ATOM 1844 N GLU A 114 -18.184 -16.424 6.820 1.00 0.00 N ATOM 1845 CA GLU A 114 -19.097 -17.537 6.408 1.00 0.00 C ATOM 1846 C GLU A 114 -18.409 -18.921 6.339 1.00 0.00 C ATOM 1847 O GLU A 114 -19.011 -19.927 6.732 1.00 0.00 O ATOM 1848 CB GLU A 114 -19.726 -17.219 5.049 1.00 0.00 C ATOM 1849 CG GLU A 114 -20.748 -16.092 5.078 1.00 0.00 C ATOM 1850 CD GLU A 114 -21.112 -15.650 3.687 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -20.478 -16.092 2.759 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -22.093 -14.961 3.542 1.00 0.00 O ATOM 0 H GLU A 114 -18.041 -15.731 6.086 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.858 -17.604 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -18.934 -16.957 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.206 -18.119 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.644 -16.424 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -20.346 -15.247 5.637 1.00 0.00 H new ATOM 1859 N HIS A 115 -17.173 -18.961 5.811 1.00 0.00 N ATOM 1860 CA HIS A 115 -16.347 -20.192 5.762 1.00 0.00 C ATOM 1861 C HIS A 115 -15.598 -20.430 7.097 1.00 0.00 C ATOM 1862 O HIS A 115 -15.658 -19.579 8.000 1.00 0.00 O ATOM 1863 CB HIS A 115 -15.342 -20.121 4.606 1.00 0.00 C ATOM 1864 CG HIS A 115 -14.308 -19.052 4.774 1.00 0.00 C ATOM 1865 ND1 HIS A 115 -13.170 -19.229 5.531 1.00 0.00 N ATOM 1866 CD2 HIS A 115 -14.240 -17.793 4.281 1.00 0.00 C ATOM 1867 CE1 HIS A 115 -12.445 -18.124 5.497 1.00 0.00 C ATOM 1868 NE2 HIS A 115 -13.073 -17.238 4.746 1.00 0.00 N ATOM 0 H HIS A 115 -16.714 -18.145 5.405 1.00 0.00 H new ATOM 0 HA HIS A 115 -17.023 -21.031 5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -14.843 -21.085 4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -15.883 -19.948 3.676 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -12.925 -20.080 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -14.967 -17.315 3.642 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -11.500 -17.972 5.998 1.00 0.00 H new ATOM 1876 N HIS A 116 -14.897 -21.585 7.193 1.00 0.00 N ATOM 1877 CA HIS A 116 -14.148 -21.990 8.409 1.00 0.00 C ATOM 1878 C HIS A 116 -13.090 -20.930 8.802 1.00 0.00 C ATOM 1879 O HIS A 116 -12.342 -20.435 7.951 1.00 0.00 O ATOM 1880 CB HIS A 116 -13.472 -23.349 8.200 1.00 0.00 C ATOM 1881 CG HIS A 116 -12.917 -23.943 9.456 1.00 0.00 C ATOM 1882 ND1 HIS A 116 -11.750 -23.495 10.039 1.00 0.00 N ATOM 1883 CD2 HIS A 116 -13.366 -24.951 10.241 1.00 0.00 C ATOM 1884 CE1 HIS A 116 -11.506 -24.202 11.130 1.00 0.00 C ATOM 1885 NE2 HIS A 116 -12.472 -25.091 11.273 1.00 0.00 N ATOM 0 H HIS A 116 -14.834 -22.261 6.432 1.00 0.00 H new ATOM 0 HA HIS A 116 -14.868 -22.072 9.224 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -14.195 -24.042 7.769 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.666 -23.237 7.475 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -14.260 -25.536 10.084 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -10.661 -24.074 11.791 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -12.542 -25.772 12.029 1.00 0.00 H new ATOM 1893 N HIS A 117 -13.075 -20.569 10.092 1.00 0.00 N ATOM 1894 CA HIS A 117 -12.121 -19.604 10.665 1.00 0.00 C ATOM 1895 C HIS A 117 -11.924 -19.886 12.162 1.00 0.00 C ATOM 1896 O HIS A 117 -12.565 -20.781 12.735 1.00 0.00 O ATOM 1897 CB HIS A 117 -12.600 -18.163 10.456 1.00 0.00 C ATOM 1898 CG HIS A 117 -13.888 -17.851 11.154 1.00 0.00 C ATOM 1899 ND1 HIS A 117 -13.943 -17.481 12.482 1.00 0.00 N ATOM 1900 CD2 HIS A 117 -15.167 -17.854 10.710 1.00 0.00 C ATOM 1901 CE1 HIS A 117 -15.203 -17.269 12.823 1.00 0.00 C ATOM 1902 NE2 HIS A 117 -15.964 -17.489 11.767 1.00 0.00 N ATOM 0 H HIS A 117 -13.732 -20.942 10.777 1.00 0.00 H new ATOM 0 HA HIS A 117 -11.167 -19.720 10.150 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -11.830 -17.478 10.810 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -12.722 -17.981 9.388 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -13.139 -17.386 13.103 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -15.498 -18.098 9.711 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -15.551 -16.967 13.800 1.00 0.00 H new ATOM 1910 N HIS A 118 -11.009 -19.132 12.769 1.00 0.00 N ATOM 1911 CA HIS A 118 -10.653 -19.241 14.193 1.00 0.00 C ATOM 1912 C HIS A 118 -10.942 -17.895 14.864 1.00 0.00 C ATOM 1913 O HIS A 118 -11.251 -16.904 14.184 1.00 0.00 O ATOM 1914 CB HIS A 118 -9.183 -19.631 14.377 1.00 0.00 C ATOM 1915 CG HIS A 118 -8.832 -20.956 13.774 1.00 0.00 C ATOM 1916 ND1 HIS A 118 -9.171 -22.155 14.366 1.00 0.00 N ATOM 1917 CD2 HIS A 118 -8.173 -21.271 12.635 1.00 0.00 C ATOM 1918 CE1 HIS A 118 -8.735 -23.152 13.614 1.00 0.00 C ATOM 1919 NE2 HIS A 118 -8.126 -22.641 12.559 1.00 0.00 N ATOM 0 H HIS A 118 -10.480 -18.411 12.279 1.00 0.00 H new ATOM 0 HA HIS A 118 -11.249 -20.028 14.654 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.553 -18.861 13.932 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -8.953 -19.654 15.442 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.761 -20.575 11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -8.856 -24.204 13.826 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -7.691 -23.178 11.809 1.00 0.00 H new ATOM 1927 N HIS A 119 -10.859 -17.860 16.203 1.00 0.00 N ATOM 1928 CA HIS A 119 -11.197 -16.658 16.987 1.00 0.00 C ATOM 1929 C HIS A 119 -9.945 -15.763 17.038 1.00 0.00 C ATOM 1930 O HIS A 119 -9.260 -15.679 18.066 1.00 0.00 O ATOM 1931 CB HIS A 119 -11.668 -17.018 18.399 1.00 0.00 C ATOM 1932 CG HIS A 119 -12.905 -17.860 18.424 1.00 0.00 C ATOM 1933 ND1 HIS A 119 -14.146 -17.369 18.074 1.00 0.00 N ATOM 1934 CD2 HIS A 119 -13.094 -19.158 18.757 1.00 0.00 C ATOM 1935 CE1 HIS A 119 -15.045 -18.331 18.191 1.00 0.00 C ATOM 1936 NE2 HIS A 119 -14.433 -19.425 18.604 1.00 0.00 N ATOM 0 H HIS A 119 -10.559 -18.654 16.769 1.00 0.00 H new ATOM 0 HA HIS A 119 -12.023 -16.130 16.511 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.868 -17.548 18.915 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -11.853 -16.100 18.956 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.335 -19.854 19.082 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -16.101 -18.238 17.984 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.882 -20.324 18.781 1.00 0.00 H new ATOM 1944 N HIS A 120 -9.623 -15.186 15.867 1.00 0.00 N ATOM 1945 CA HIS A 120 -8.494 -14.264 15.661 1.00 0.00 C ATOM 1946 C HIS A 120 -8.499 -13.165 16.753 1.00 0.00 C ATOM 1947 O HIS A 120 -9.503 -12.424 16.837 1.00 0.00 O ATOM 1948 CB HIS A 120 -8.554 -13.633 14.266 1.00 0.00 C ATOM 1949 CG HIS A 120 -7.309 -12.893 13.886 1.00 0.00 C ATOM 1950 ND1 HIS A 120 -7.014 -11.636 14.371 1.00 0.00 N ATOM 1951 CD2 HIS A 120 -6.284 -13.232 13.070 1.00 0.00 C ATOM 1952 CE1 HIS A 120 -5.860 -11.234 13.868 1.00 0.00 C ATOM 1953 NE2 HIS A 120 -5.397 -12.183 13.076 1.00 0.00 N ATOM 1954 OXT HIS A 120 -7.558 -13.046 17.487 1.00 0.00 O ATOM 0 H HIS A 120 -10.157 -15.354 15.014 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.566 -14.831 15.736 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -8.740 -14.416 13.531 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -9.401 -12.948 14.223 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.182 -14.154 12.518 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -5.378 -10.289 14.071 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.522 -12.144 12.553 1.00 0.00 H new TER 1962 HIS A 120