USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1371 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 80 CYS SG : rot 180:sc= -0.0468 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.572 X(o=0.52,f=0.51) USER MOD Set 2.1: B 32 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.1) USER MOD Set 2.2: B 63 SER OG : rot -75:sc= -0.0012 USER MOD Set 3.1: B 25 SER OG : rot 172:sc= 1.53 USER MOD Set 3.2: B 28 THR OG1 : rot 170:sc= 2.33 USER MOD Set 4.1: A 81 MET CE :methyl -179:sc= 0 (180deg=-0.00158) USER MOD Set 4.2: A 84 ASN :FLIP amide:sc= -0.553 F(o=-4!,f=-0.55) USER MOD Set 5.1: A 77 THR OG1 : rot 85:sc= 1.25 USER MOD Set 5.2: B 73 SER OG : rot -13:sc= 0.131 USER MOD Set 6.1: A 73 SER OG : rot 172:sc= 0.389 USER MOD Set 6.2: B 77 THR OG1 : rot 94:sc= 1.72 USER MOD Set 7.1: A 61 LYS NZ :NH3+ -146:sc= 0.441 (180deg=0.393) USER MOD Set 7.2: A 62 ASN : amide:sc= 2.01 K(o=3.4,f=-4.2) USER MOD Set 7.3: A 65 GLN : amide:sc= 0.915 K(o=3.4,f=-4.5) USER MOD Set 8.1: A 25 SER OG : rot 130:sc= 0.374 USER MOD Set 8.2: A 28 THR OG1 : rot 142:sc= 1.18 USER MOD Set 9.1: A 18 LYS NZ :NH3+ 168:sc= -0.333! (180deg=-1.27!) USER MOD Set 9.2: A 19 TYR OH : rot 180:sc= 0.00246 USER MOD Set10.1: A 15 THR OG1 : rot -87:sc= 1.17 USER MOD Set10.2: A 72 TYR OH : rot 172:sc= 0.00296 USER MOD Set11.1: A 3 THR OG1 : rot -121:sc= 0.344 USER MOD Set11.2: B 43 CYS SG : rot 180:sc= 0.469 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 61:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot 131:sc= 1.28 USER MOD Single : A 12 MET CE :methyl -169:sc= 0 (180deg=-0.0158) USER MOD Single : A 14 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 17 HIS : no HE2:sc= 0.448 K(o=0.45,f=-3.4!) USER MOD Single : A 20 SER OG : rot 69:sc= 0.544 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -113:sc= 1.63 USER MOD Single : A 32 LYS NZ :NH3+ -134:sc= 0.726 (180deg=-1.02!) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= -0.428 (180deg=-0.514) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.2) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= 0.0995 (180deg=-1.34!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.27) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -23:sc= 0.443 USER MOD Single : A 56 MET CE :methyl 158:sc= -1.02 (180deg=-2.27) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.811) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 120:sc= 0.786 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 2 (180deg=1.78) USER MOD Single : A 78 MET CE :methyl 158:sc= -0.185 (180deg=-0.527) USER MOD Single : A 80 CYS SG : rot -44:sc= -0.0517 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 99:sc= 0.668 USER MOD Single : B 7 LYS NZ :NH3+ 158:sc= 0.813 (180deg=0.488) USER MOD Single : B 10 THR OG1 : rot 77:sc= 1.22 USER MOD Single : B 11 THR OG1 : rot 73:sc= 0.651 USER MOD Single : B 12 MET CE :methyl -163:sc= -0.0754 (180deg=-0.137) USER MOD Single : B 14 THR OG1 : rot 83:sc= 1.14 USER MOD Single : B 15 THR OG1 : rot 28:sc= 0.318 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 18 LYS NZ :NH3+ -172:sc= 0.975 (180deg=0.899) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -65:sc= 1.16 USER MOD Single : B 26 LYS NZ :NH3+ -167:sc= 0.834 (180deg=0.394) USER MOD Single : B 30 SER OG : rot -95:sc= 1.76 USER MOD Single : B 35 LYS NZ :NH3+ 141:sc= 0.273 (180deg=-0.559) USER MOD Single : B 39 LYS NZ :NH3+ 147:sc= 2.53 (180deg=1.05) USER MOD Single : B 40 LYS NZ :NH3+ 141:sc= -0.0788 (180deg=-2.49!) USER MOD Single : B 47 MET CE :methyl -155:sc= -1.84 (180deg=-2.43!) USER MOD Single : B 48 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.91) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -134:sc= 1.28 USER MOD Single : B 56 MET CE :methyl 177:sc= -0.0052 (180deg=-0.0265) USER MOD Single : B 57 LYS NZ :NH3+ 148:sc= -0.643 (180deg=-1.17) USER MOD Single : B 58 SER OG : rot -85:sc= 1.26 USER MOD Single : B 61 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.18) USER MOD Single : B 62 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : B 65 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.11) USER MOD Single : B 70 LYS NZ :NH3+ 168:sc= 2.5 (180deg=2.13) USER MOD Single : B 72 TYR OH : rot 20:sc= 1.3 USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 MET CE :methyl 146:sc= -0.29 (180deg=-1.27) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.570 3.204 20.797 1.00 1.65 N ATOM 18 CA GLU A 2 8.286 3.431 21.496 1.00 1.57 C ATOM 19 C GLU A 2 7.763 4.865 21.417 1.00 1.24 C ATOM 20 O GLU A 2 7.352 5.492 22.385 1.00 1.65 O ATOM 21 CB GLU A 2 8.292 2.850 22.924 1.00 2.65 C ATOM 22 CG GLU A 2 8.399 1.319 22.868 1.00 3.77 C ATOM 23 CD GLU A 2 9.792 0.884 22.422 1.00 4.05 C ATOM 24 OE1 GLU A 2 10.761 1.151 23.158 1.00 4.81 O ATOM 25 OE2 GLU A 2 9.954 0.576 21.218 1.00 4.38 O ATOM 0 HA GLU A 2 7.546 2.861 20.934 1.00 1.57 H new ATOM 0 HB2 GLU A 2 9.129 3.261 23.489 1.00 2.65 H new ATOM 0 HB3 GLU A 2 7.381 3.140 23.447 1.00 2.65 H new ATOM 0 HG2 GLU A 2 8.180 0.899 23.850 1.00 3.77 H new ATOM 0 HG3 GLU A 2 7.653 0.924 22.179 1.00 3.77 H new ATOM 32 N THR A 3 7.756 5.342 20.177 1.00 0.93 N ATOM 33 CA THR A 3 7.437 6.714 19.760 1.00 0.73 C ATOM 34 C THR A 3 6.295 6.668 18.734 1.00 0.75 C ATOM 35 O THR A 3 5.877 5.556 18.386 1.00 0.91 O ATOM 36 CB THR A 3 8.714 7.432 19.268 1.00 1.11 C ATOM 37 OG1 THR A 3 9.813 6.558 19.106 1.00 2.61 O ATOM 38 CG2 THR A 3 9.151 8.451 20.312 1.00 1.70 C ATOM 0 H THR A 3 7.987 4.747 19.381 1.00 0.93 H new ATOM 0 HA THR A 3 7.079 7.310 20.599 1.00 0.73 H new ATOM 0 HB THR A 3 8.457 7.879 18.308 1.00 1.11 H new ATOM 0 HG1 THR A 3 10.551 6.850 19.681 1.00 2.61 H new ATOM 0 HG21 THR A 3 10.052 8.960 19.969 1.00 1.70 H new ATOM 0 HG22 THR A 3 8.356 9.182 20.462 1.00 1.70 H new ATOM 0 HG23 THR A 3 9.358 7.942 21.253 1.00 1.70 H new ATOM 46 N PRO A 4 5.688 7.797 18.309 1.00 1.10 N ATOM 47 CA PRO A 4 4.407 7.735 17.614 1.00 1.34 C ATOM 48 C PRO A 4 4.514 7.238 16.174 1.00 1.07 C ATOM 49 O PRO A 4 3.684 6.426 15.782 1.00 1.10 O ATOM 50 CB PRO A 4 3.818 9.148 17.697 1.00 1.90 C ATOM 51 CG PRO A 4 5.053 10.039 17.836 1.00 1.97 C ATOM 52 CD PRO A 4 6.006 9.175 18.661 1.00 1.50 C ATOM 0 HA PRO A 4 3.758 7.000 18.089 1.00 1.34 H new ATOM 0 HB2 PRO A 4 3.242 9.396 16.806 1.00 1.90 H new ATOM 0 HB3 PRO A 4 3.148 9.254 18.550 1.00 1.90 H new ATOM 0 HG2 PRO A 4 5.478 10.295 16.865 1.00 1.97 H new ATOM 0 HG3 PRO A 4 4.820 10.977 18.340 1.00 1.97 H new ATOM 0 HD2 PRO A 4 7.046 9.409 18.431 1.00 1.50 H new ATOM 0 HD3 PRO A 4 5.869 9.349 19.728 1.00 1.50 H new ATOM 60 N LEU A 5 5.523 7.643 15.392 1.00 0.98 N ATOM 61 CA LEU A 5 5.632 7.183 13.999 1.00 0.89 C ATOM 62 C LEU A 5 5.935 5.686 13.896 1.00 0.82 C ATOM 63 O LEU A 5 5.520 5.036 12.934 1.00 0.87 O ATOM 64 CB LEU A 5 6.669 8.047 13.279 1.00 1.28 C ATOM 65 CG LEU A 5 6.910 7.789 11.775 1.00 1.52 C ATOM 66 CD1 LEU A 5 7.938 6.676 11.528 1.00 3.54 C ATOM 67 CD2 LEU A 5 5.605 7.683 10.970 1.00 2.57 C ATOM 0 H LEU A 5 6.264 8.277 15.692 1.00 0.98 H new ATOM 0 HA LEU A 5 4.667 7.304 13.507 1.00 0.89 H new ATOM 0 HB2 LEU A 5 6.374 9.090 13.396 1.00 1.28 H new ATOM 0 HB3 LEU A 5 7.621 7.926 13.795 1.00 1.28 H new ATOM 0 HG LEU A 5 7.386 8.679 11.365 1.00 1.52 H new ATOM 0 HD11 LEU A 5 8.071 6.535 10.455 1.00 3.54 H new ATOM 0 HD12 LEU A 5 8.891 6.955 11.978 1.00 3.54 H new ATOM 0 HD13 LEU A 5 7.583 5.747 11.975 1.00 3.54 H new ATOM 0 HD21 LEU A 5 5.838 7.502 9.921 1.00 2.57 H new ATOM 0 HD22 LEU A 5 5.005 6.859 11.356 1.00 2.57 H new ATOM 0 HD23 LEU A 5 5.045 8.613 11.061 1.00 2.57 H new ATOM 79 N GLU A 6 6.551 5.113 14.929 1.00 1.03 N ATOM 80 CA GLU A 6 6.706 3.667 15.050 1.00 1.48 C ATOM 81 C GLU A 6 5.369 2.931 14.838 1.00 1.55 C ATOM 82 O GLU A 6 5.313 1.847 14.269 1.00 1.81 O ATOM 83 CB GLU A 6 7.261 3.364 16.455 1.00 2.02 C ATOM 84 CG GLU A 6 7.766 1.938 16.627 1.00 2.38 C ATOM 85 CD GLU A 6 8.859 1.683 15.607 1.00 2.52 C ATOM 86 OE1 GLU A 6 9.975 2.165 15.871 1.00 2.76 O ATOM 87 OE2 GLU A 6 8.511 1.125 14.542 1.00 3.69 O ATOM 0 H GLU A 6 6.956 5.639 15.704 1.00 1.03 H new ATOM 0 HA GLU A 6 7.391 3.314 14.279 1.00 1.48 H new ATOM 0 HB2 GLU A 6 8.076 4.055 16.669 1.00 2.02 H new ATOM 0 HB3 GLU A 6 6.480 3.553 17.192 1.00 2.02 H new ATOM 0 HG2 GLU A 6 8.150 1.792 17.637 1.00 2.38 H new ATOM 0 HG3 GLU A 6 6.949 1.229 16.491 1.00 2.38 H new ATOM 94 N LYS A 7 4.243 3.529 15.236 1.00 1.55 N ATOM 95 CA LYS A 7 2.927 2.898 15.052 1.00 1.95 C ATOM 96 C LYS A 7 2.454 2.874 13.580 1.00 1.78 C ATOM 97 O LYS A 7 1.549 2.111 13.225 1.00 2.26 O ATOM 98 CB LYS A 7 1.893 3.518 16.005 1.00 2.36 C ATOM 99 CG LYS A 7 2.352 3.832 17.429 1.00 2.28 C ATOM 100 CD LYS A 7 3.179 2.728 18.087 1.00 2.30 C ATOM 101 CE LYS A 7 3.627 3.311 19.412 1.00 3.28 C ATOM 102 NZ LYS A 7 4.667 2.472 20.052 1.00 3.56 N ATOM 0 H LYS A 7 4.212 4.444 15.686 1.00 1.55 H new ATOM 0 HA LYS A 7 3.035 1.847 15.318 1.00 1.95 H new ATOM 0 HB2 LYS A 7 1.532 4.443 15.555 1.00 2.36 H new ATOM 0 HB3 LYS A 7 1.042 2.840 16.067 1.00 2.36 H new ATOM 0 HG2 LYS A 7 2.941 4.749 17.413 1.00 2.28 H new ATOM 0 HG3 LYS A 7 1.474 4.027 18.045 1.00 2.28 H new ATOM 0 HD2 LYS A 7 2.586 1.825 18.233 1.00 2.30 H new ATOM 0 HD3 LYS A 7 4.033 2.452 17.468 1.00 2.30 H new ATOM 0 HE2 LYS A 7 4.016 4.317 19.255 1.00 3.28 H new ATOM 0 HE3 LYS A 7 2.770 3.401 20.079 1.00 3.28 H new ATOM 0 HZ1 LYS A 7 4.950 2.900 20.956 1.00 3.56 H new ATOM 0 HZ2 LYS A 7 4.287 1.519 20.224 1.00 3.56 H new ATOM 0 HZ3 LYS A 7 5.494 2.407 19.425 1.00 3.56 H new ATOM 116 N ALA A 8 3.083 3.669 12.711 1.00 1.22 N ATOM 117 CA ALA A 8 3.026 3.493 11.262 1.00 1.04 C ATOM 118 C ALA A 8 4.085 2.513 10.760 1.00 0.65 C ATOM 119 O ALA A 8 3.718 1.531 10.111 1.00 0.62 O ATOM 120 CB ALA A 8 3.175 4.831 10.546 1.00 1.29 C ATOM 0 H ALA A 8 3.654 4.463 13.000 1.00 1.22 H new ATOM 0 HA ALA A 8 2.047 3.072 11.033 1.00 1.04 H new ATOM 0 HB1 ALA A 8 3.129 4.674 9.468 1.00 1.29 H new ATOM 0 HB2 ALA A 8 2.368 5.498 10.850 1.00 1.29 H new ATOM 0 HB3 ALA A 8 4.134 5.279 10.807 1.00 1.29 H new ATOM 126 N LEU A 9 5.367 2.767 11.038 1.00 0.59 N ATOM 127 CA LEU A 9 6.474 1.956 10.523 1.00 0.63 C ATOM 128 C LEU A 9 6.434 0.480 10.966 1.00 0.62 C ATOM 129 O LEU A 9 6.415 -0.372 10.072 1.00 0.61 O ATOM 130 CB LEU A 9 7.802 2.669 10.835 1.00 0.77 C ATOM 131 CG LEU A 9 8.332 3.549 9.678 1.00 0.78 C ATOM 132 CD1 LEU A 9 8.978 2.688 8.583 1.00 1.47 C ATOM 133 CD2 LEU A 9 7.275 4.449 9.007 1.00 1.18 C ATOM 0 H LEU A 9 5.667 3.543 11.628 1.00 0.59 H new ATOM 0 HA LEU A 9 6.369 1.880 9.441 1.00 0.63 H new ATOM 0 HB2 LEU A 9 7.669 3.292 11.720 1.00 0.77 H new ATOM 0 HB3 LEU A 9 8.555 1.921 11.082 1.00 0.77 H new ATOM 0 HG LEU A 9 9.060 4.203 10.158 1.00 0.78 H new ATOM 0 HD11 LEU A 9 9.342 3.331 7.782 1.00 1.47 H new ATOM 0 HD12 LEU A 9 9.812 2.127 9.006 1.00 1.47 H new ATOM 0 HD13 LEU A 9 8.239 1.993 8.183 1.00 1.47 H new ATOM 0 HD21 LEU A 9 7.742 5.027 8.209 1.00 1.18 H new ATOM 0 HD22 LEU A 9 6.482 3.829 8.589 1.00 1.18 H new ATOM 0 HD23 LEU A 9 6.853 5.128 9.747 1.00 1.18 H new ATOM 145 N THR A 10 6.304 0.160 12.268 1.00 0.66 N ATOM 146 CA THR A 10 6.083 -1.216 12.770 1.00 0.70 C ATOM 147 C THR A 10 4.919 -1.888 12.057 1.00 0.62 C ATOM 148 O THR A 10 5.064 -3.017 11.590 1.00 0.65 O ATOM 149 CB THR A 10 5.870 -1.239 14.296 1.00 0.88 C ATOM 150 OG1 THR A 10 7.102 -1.040 14.935 1.00 1.12 O ATOM 151 CG2 THR A 10 5.386 -2.599 14.815 1.00 1.34 C ATOM 0 H THR A 10 6.350 0.856 13.012 1.00 0.66 H new ATOM 0 HA THR A 10 6.988 -1.783 12.551 1.00 0.70 H new ATOM 0 HB THR A 10 5.128 -0.468 14.503 1.00 0.88 H new ATOM 0 HG1 THR A 10 7.469 -0.170 14.674 1.00 1.12 H new ATOM 0 HG21 THR A 10 5.255 -2.550 15.896 1.00 1.34 H new ATOM 0 HG22 THR A 10 4.435 -2.850 14.345 1.00 1.34 H new ATOM 0 HG23 THR A 10 6.124 -3.364 14.573 1.00 1.34 H new ATOM 159 N THR A 11 3.781 -1.200 11.911 1.00 0.59 N ATOM 160 CA THR A 11 2.594 -1.713 11.209 1.00 0.59 C ATOM 161 C THR A 11 2.927 -2.021 9.753 1.00 0.52 C ATOM 162 O THR A 11 2.684 -3.139 9.302 1.00 0.53 O ATOM 163 CB THR A 11 1.428 -0.728 11.338 1.00 0.65 C ATOM 164 OG1 THR A 11 1.188 -0.491 12.704 1.00 0.87 O ATOM 165 CG2 THR A 11 0.134 -1.275 10.726 1.00 0.84 C ATOM 0 H THR A 11 3.655 -0.258 12.281 1.00 0.59 H new ATOM 0 HA THR A 11 2.282 -2.648 11.675 1.00 0.59 H new ATOM 0 HB THR A 11 1.706 0.181 10.805 1.00 0.65 H new ATOM 0 HG1 THR A 11 1.132 0.474 12.864 1.00 0.87 H new ATOM 0 HG21 THR A 11 -0.663 -0.540 10.843 1.00 0.84 H new ATOM 0 HG22 THR A 11 0.290 -1.476 9.666 1.00 0.84 H new ATOM 0 HG23 THR A 11 -0.147 -2.198 11.233 1.00 0.84 H new ATOM 173 N MET A 12 3.537 -1.078 9.027 1.00 0.51 N ATOM 174 CA MET A 12 3.953 -1.254 7.629 1.00 0.50 C ATOM 175 C MET A 12 4.941 -2.410 7.445 1.00 0.50 C ATOM 176 O MET A 12 4.718 -3.223 6.549 1.00 0.52 O ATOM 177 CB MET A 12 4.585 0.028 7.066 1.00 0.55 C ATOM 178 CG MET A 12 3.572 1.126 6.740 1.00 0.76 C ATOM 179 SD MET A 12 4.401 2.624 6.146 1.00 0.96 S ATOM 180 CE MET A 12 3.014 3.512 5.407 1.00 0.67 C ATOM 0 H MET A 12 3.760 -0.155 9.400 1.00 0.51 H new ATOM 0 HA MET A 12 3.041 -1.489 7.081 1.00 0.50 H new ATOM 0 HB2 MET A 12 5.305 0.414 7.788 1.00 0.55 H new ATOM 0 HB3 MET A 12 5.141 -0.220 6.162 1.00 0.55 H new ATOM 0 HG2 MET A 12 2.874 0.768 5.983 1.00 0.76 H new ATOM 0 HG3 MET A 12 2.986 1.359 7.629 1.00 0.76 H new ATOM 0 HE1 MET A 12 3.389 4.357 4.829 1.00 0.67 H new ATOM 0 HE2 MET A 12 2.460 2.841 4.751 1.00 0.67 H new ATOM 0 HE3 MET A 12 2.354 3.876 6.194 1.00 0.67 H new ATOM 190 N VAL A 13 5.994 -2.516 8.269 1.00 0.55 N ATOM 191 CA VAL A 13 6.973 -3.619 8.125 1.00 0.62 C ATOM 192 C VAL A 13 6.357 -4.979 8.473 1.00 0.62 C ATOM 193 O VAL A 13 6.639 -5.961 7.788 1.00 0.67 O ATOM 194 CB VAL A 13 8.305 -3.428 8.901 1.00 0.71 C ATOM 195 CG1 VAL A 13 9.092 -2.210 8.397 1.00 0.79 C ATOM 196 CG2 VAL A 13 8.153 -3.351 10.424 1.00 0.73 C ATOM 0 H VAL A 13 6.193 -1.868 9.031 1.00 0.55 H new ATOM 0 HA VAL A 13 7.236 -3.594 7.068 1.00 0.62 H new ATOM 0 HB VAL A 13 8.866 -4.339 8.691 1.00 0.71 H new ATOM 0 HG11 VAL A 13 10.016 -2.113 8.966 1.00 0.79 H new ATOM 0 HG12 VAL A 13 9.328 -2.341 7.341 1.00 0.79 H new ATOM 0 HG13 VAL A 13 8.491 -1.310 8.525 1.00 0.79 H new ATOM 0 HG21 VAL A 13 9.133 -3.217 10.881 1.00 0.73 H new ATOM 0 HG22 VAL A 13 7.514 -2.507 10.684 1.00 0.73 H new ATOM 0 HG23 VAL A 13 7.704 -4.273 10.792 1.00 0.73 H new ATOM 206 N THR A 14 5.471 -5.047 9.480 1.00 0.61 N ATOM 207 CA THR A 14 4.820 -6.304 9.894 1.00 0.68 C ATOM 208 C THR A 14 3.823 -6.787 8.848 1.00 0.67 C ATOM 209 O THR A 14 3.803 -7.977 8.542 1.00 0.80 O ATOM 210 CB THR A 14 4.134 -6.147 11.255 1.00 0.74 C ATOM 211 OG1 THR A 14 5.079 -5.675 12.182 1.00 0.90 O ATOM 212 CG2 THR A 14 3.604 -7.475 11.798 1.00 1.16 C ATOM 0 H THR A 14 5.186 -4.236 10.029 1.00 0.61 H new ATOM 0 HA THR A 14 5.601 -7.058 9.987 1.00 0.68 H new ATOM 0 HB THR A 14 3.298 -5.461 11.118 1.00 0.74 H new ATOM 0 HG1 THR A 14 5.066 -4.695 12.193 1.00 0.90 H new ATOM 0 HG21 THR A 14 3.127 -7.309 12.764 1.00 1.16 H new ATOM 0 HG22 THR A 14 2.876 -7.889 11.100 1.00 1.16 H new ATOM 0 HG23 THR A 14 4.431 -8.175 11.917 1.00 1.16 H new ATOM 220 N THR A 15 3.032 -5.879 8.269 1.00 0.58 N ATOM 221 CA THR A 15 2.080 -6.190 7.191 1.00 0.57 C ATOM 222 C THR A 15 2.776 -6.499 5.875 1.00 0.57 C ATOM 223 O THR A 15 2.273 -7.339 5.143 1.00 0.75 O ATOM 224 CB THR A 15 1.040 -5.087 6.988 1.00 0.56 C ATOM 225 OG1 THR A 15 1.686 -3.845 6.922 1.00 1.17 O ATOM 226 CG2 THR A 15 0.033 -5.036 8.134 1.00 0.95 C ATOM 0 H THR A 15 3.032 -4.895 8.537 1.00 0.58 H new ATOM 0 HA THR A 15 1.557 -7.088 7.518 1.00 0.57 H new ATOM 0 HB THR A 15 0.508 -5.307 6.063 1.00 0.56 H new ATOM 0 HG1 THR A 15 1.798 -3.486 7.827 1.00 1.17 H new ATOM 0 HG21 THR A 15 -0.687 -4.239 7.950 1.00 0.95 H new ATOM 0 HG22 THR A 15 -0.490 -5.990 8.201 1.00 0.95 H new ATOM 0 HG23 THR A 15 0.557 -4.843 9.070 1.00 0.95 H new ATOM 234 N PHE A 16 3.935 -5.915 5.575 1.00 0.54 N ATOM 235 CA PHE A 16 4.735 -6.313 4.414 1.00 0.54 C ATOM 236 C PHE A 16 5.330 -7.724 4.601 1.00 0.53 C ATOM 237 O PHE A 16 5.212 -8.582 3.723 1.00 0.53 O ATOM 238 CB PHE A 16 5.814 -5.245 4.206 1.00 0.62 C ATOM 239 CG PHE A 16 6.625 -5.393 2.942 1.00 0.60 C ATOM 240 CD1 PHE A 16 7.799 -6.171 2.937 1.00 1.82 C ATOM 241 CD2 PHE A 16 6.239 -4.700 1.779 1.00 1.60 C ATOM 242 CE1 PHE A 16 8.594 -6.229 1.784 1.00 1.81 C ATOM 243 CE2 PHE A 16 7.058 -4.725 0.638 1.00 1.62 C ATOM 244 CZ PHE A 16 8.235 -5.489 0.642 1.00 0.63 C ATOM 0 H PHE A 16 4.345 -5.159 6.123 1.00 0.54 H new ATOM 0 HA PHE A 16 4.112 -6.375 3.522 1.00 0.54 H new ATOM 0 HB2 PHE A 16 5.337 -4.265 4.201 1.00 0.62 H new ATOM 0 HB3 PHE A 16 6.492 -5.265 5.059 1.00 0.62 H new ATOM 0 HD1 PHE A 16 8.086 -6.722 3.820 1.00 1.82 H new ATOM 0 HD2 PHE A 16 5.311 -4.148 1.764 1.00 1.60 H new ATOM 0 HE1 PHE A 16 9.483 -6.842 1.772 1.00 1.81 H new ATOM 0 HE2 PHE A 16 6.783 -4.158 -0.239 1.00 1.62 H new ATOM 0 HZ PHE A 16 8.867 -5.509 -0.234 1.00 0.63 H new ATOM 254 N HIS A 17 5.897 -7.988 5.786 1.00 0.60 N ATOM 255 CA HIS A 17 6.430 -9.293 6.192 1.00 0.69 C ATOM 256 C HIS A 17 5.356 -10.403 6.213 1.00 0.75 C ATOM 257 O HIS A 17 5.667 -11.558 5.917 1.00 0.91 O ATOM 258 CB HIS A 17 7.121 -9.146 7.555 1.00 0.78 C ATOM 259 CG HIS A 17 7.953 -10.328 7.997 1.00 1.12 C ATOM 260 ND1 HIS A 17 7.685 -11.665 7.807 1.00 1.92 N ATOM 261 CD2 HIS A 17 9.113 -10.263 8.717 1.00 1.89 C ATOM 262 CE1 HIS A 17 8.648 -12.380 8.408 1.00 2.18 C ATOM 263 NE2 HIS A 17 9.553 -11.568 8.980 1.00 2.12 N ATOM 0 H HIS A 17 6.000 -7.277 6.510 1.00 0.60 H new ATOM 0 HA HIS A 17 7.157 -9.612 5.445 1.00 0.69 H new ATOM 0 HB2 HIS A 17 7.762 -8.265 7.524 1.00 0.78 H new ATOM 0 HB3 HIS A 17 6.358 -8.959 8.311 1.00 0.78 H new ATOM 0 HD1 HIS A 17 6.889 -12.047 7.296 1.00 1.92 H new ATOM 0 HD2 HIS A 17 9.609 -9.356 9.031 1.00 1.89 H new ATOM 0 HE1 HIS A 17 8.690 -13.459 8.429 1.00 2.18 H new ATOM 272 N LYS A 18 4.093 -10.084 6.508 1.00 0.77 N ATOM 273 CA LYS A 18 2.967 -11.032 6.477 1.00 0.93 C ATOM 274 C LYS A 18 2.759 -11.718 5.110 1.00 0.89 C ATOM 275 O LYS A 18 2.245 -12.835 5.077 1.00 1.11 O ATOM 276 CB LYS A 18 1.720 -10.266 6.958 1.00 1.05 C ATOM 277 CG LYS A 18 0.387 -11.027 6.870 1.00 1.50 C ATOM 278 CD LYS A 18 -0.702 -10.246 7.619 1.00 2.30 C ATOM 279 CE LYS A 18 -2.111 -10.808 7.363 1.00 2.74 C ATOM 280 NZ LYS A 18 -2.796 -10.085 6.267 1.00 3.70 N ATOM 0 H LYS A 18 3.815 -9.141 6.781 1.00 0.77 H new ATOM 0 HA LYS A 18 3.183 -11.869 7.141 1.00 0.93 H new ATOM 0 HB2 LYS A 18 1.878 -9.968 7.995 1.00 1.05 H new ATOM 0 HB3 LYS A 18 1.632 -9.350 6.373 1.00 1.05 H new ATOM 0 HG2 LYS A 18 0.101 -11.160 5.827 1.00 1.50 H new ATOM 0 HG3 LYS A 18 0.496 -12.023 7.300 1.00 1.50 H new ATOM 0 HD2 LYS A 18 -0.493 -10.272 8.688 1.00 2.30 H new ATOM 0 HD3 LYS A 18 -0.670 -9.200 7.313 1.00 2.30 H new ATOM 0 HE2 LYS A 18 -2.041 -11.867 7.113 1.00 2.74 H new ATOM 0 HE3 LYS A 18 -2.704 -10.734 8.275 1.00 2.74 H new ATOM 0 HZ1 LYS A 18 -3.648 -10.610 5.985 1.00 3.70 H new ATOM 0 HZ2 LYS A 18 -3.066 -9.135 6.593 1.00 3.70 H new ATOM 0 HZ3 LYS A 18 -2.155 -10.002 5.452 1.00 3.70 H new ATOM 294 N TYR A 19 3.176 -11.099 3.998 1.00 0.73 N ATOM 295 CA TYR A 19 3.006 -11.627 2.632 1.00 0.86 C ATOM 296 C TYR A 19 4.349 -11.919 1.947 1.00 0.98 C ATOM 297 O TYR A 19 4.520 -12.968 1.332 1.00 1.61 O ATOM 298 CB TYR A 19 2.238 -10.595 1.809 1.00 0.75 C ATOM 299 CG TYR A 19 0.805 -10.375 2.236 1.00 0.67 C ATOM 300 CD1 TYR A 19 0.535 -9.480 3.280 1.00 1.94 C ATOM 301 CD2 TYR A 19 -0.257 -11.020 1.578 1.00 1.94 C ATOM 302 CE1 TYR A 19 -0.785 -9.198 3.665 1.00 2.05 C ATOM 303 CE2 TYR A 19 -1.584 -10.758 1.958 1.00 1.89 C ATOM 304 CZ TYR A 19 -1.849 -9.842 3.000 1.00 0.80 C ATOM 305 OH TYR A 19 -3.132 -9.573 3.347 1.00 1.03 O ATOM 0 H TYR A 19 3.652 -10.197 4.020 1.00 0.73 H new ATOM 0 HA TYR A 19 2.462 -12.569 2.697 1.00 0.86 H new ATOM 0 HB2 TYR A 19 2.767 -9.644 1.862 1.00 0.75 H new ATOM 0 HB3 TYR A 19 2.246 -10.906 0.764 1.00 0.75 H new ATOM 0 HD1 TYR A 19 1.354 -9.001 3.796 1.00 1.94 H new ATOM 0 HD2 TYR A 19 -0.052 -11.718 0.779 1.00 1.94 H new ATOM 0 HE1 TYR A 19 -0.984 -8.496 4.461 1.00 2.05 H new ATOM 0 HE2 TYR A 19 -2.400 -11.256 1.455 1.00 1.89 H new ATOM 0 HH TYR A 19 -3.740 -10.102 2.789 1.00 1.03 H new ATOM 315 N SER A 20 5.357 -11.063 2.125 1.00 0.77 N ATOM 316 CA SER A 20 6.723 -11.342 1.656 1.00 0.84 C ATOM 317 C SER A 20 7.313 -12.615 2.295 1.00 0.99 C ATOM 318 O SER A 20 7.970 -13.432 1.636 1.00 1.40 O ATOM 319 CB SER A 20 7.603 -10.120 1.965 1.00 0.86 C ATOM 320 OG SER A 20 8.053 -10.076 3.309 1.00 1.78 O ATOM 0 H SER A 20 5.255 -10.163 2.594 1.00 0.77 H new ATOM 0 HA SER A 20 6.693 -11.525 0.582 1.00 0.84 H new ATOM 0 HB2 SER A 20 8.467 -10.126 1.300 1.00 0.86 H new ATOM 0 HB3 SER A 20 7.040 -9.212 1.748 1.00 0.86 H new ATOM 0 HG SER A 20 8.691 -10.804 3.464 1.00 1.78 H new ATOM 326 N GLY A 21 7.003 -12.819 3.585 1.00 1.14 N ATOM 327 CA GLY A 21 7.435 -13.957 4.389 1.00 1.37 C ATOM 328 C GLY A 21 6.686 -15.251 4.056 1.00 1.50 C ATOM 329 O GLY A 21 6.988 -16.273 4.668 1.00 1.83 O ATOM 0 H GLY A 21 6.422 -12.166 4.111 1.00 1.14 H new ATOM 0 HA2 GLY A 21 8.503 -14.114 4.239 1.00 1.37 H new ATOM 0 HA3 GLY A 21 7.292 -13.723 5.444 1.00 1.37 H new ATOM 332 N ARG A 22 5.755 -15.233 3.085 1.00 1.67 N ATOM 333 CA ARG A 22 5.219 -16.445 2.442 1.00 1.80 C ATOM 334 C ARG A 22 5.633 -16.620 0.973 1.00 2.40 C ATOM 335 O ARG A 22 5.190 -17.572 0.330 1.00 3.18 O ATOM 336 CB ARG A 22 3.737 -16.664 2.799 1.00 2.29 C ATOM 337 CG ARG A 22 2.677 -15.821 2.083 1.00 2.45 C ATOM 338 CD ARG A 22 2.232 -16.410 0.740 1.00 2.28 C ATOM 339 NE ARG A 22 2.649 -15.598 -0.404 1.00 2.05 N ATOM 340 CZ ARG A 22 2.928 -16.019 -1.630 1.00 2.76 C ATOM 341 NH1 ARG A 22 3.514 -17.178 -1.846 1.00 3.31 N ATOM 342 NH2 ARG A 22 2.635 -15.278 -2.673 1.00 3.96 N ATOM 0 H ARG A 22 5.351 -14.370 2.722 1.00 1.67 H new ATOM 0 HA ARG A 22 5.720 -17.308 2.880 1.00 1.80 H new ATOM 0 HB2 ARG A 22 3.504 -17.713 2.616 1.00 2.29 H new ATOM 0 HB3 ARG A 22 3.626 -16.495 3.870 1.00 2.29 H new ATOM 0 HG2 ARG A 22 1.807 -15.718 2.732 1.00 2.45 H new ATOM 0 HG3 ARG A 22 3.072 -14.819 1.918 1.00 2.45 H new ATOM 0 HD2 ARG A 22 2.643 -17.414 0.635 1.00 2.28 H new ATOM 0 HD3 ARG A 22 1.146 -16.507 0.734 1.00 2.28 H new ATOM 0 HE ARG A 22 2.735 -14.595 -0.240 1.00 2.05 H new ATOM 0 HH11 ARG A 22 3.765 -17.777 -1.059 1.00 3.31 H new ATOM 0 HH12 ARG A 22 3.717 -17.477 -2.800 1.00 3.31 H new ATOM 0 HH21 ARG A 22 2.189 -14.370 -2.544 1.00 3.96 H new ATOM 0 HH22 ARG A 22 2.853 -15.610 -3.612 1.00 3.96 H new ATOM 356 N GLU A 23 6.538 -15.767 0.472 1.00 2.31 N ATOM 357 CA GLU A 23 7.276 -15.962 -0.785 1.00 2.85 C ATOM 358 C GLU A 23 8.745 -16.346 -0.536 1.00 2.41 C ATOM 359 O GLU A 23 9.163 -17.411 -0.979 1.00 3.11 O ATOM 360 CB GLU A 23 7.218 -14.689 -1.642 1.00 3.52 C ATOM 361 CG GLU A 23 5.809 -14.431 -2.171 1.00 4.83 C ATOM 362 CD GLU A 23 5.762 -13.208 -3.075 1.00 6.12 C ATOM 363 OE1 GLU A 23 6.346 -12.177 -2.675 1.00 7.11 O ATOM 364 OE2 GLU A 23 5.136 -13.290 -4.154 1.00 6.60 O ATOM 0 H GLU A 23 6.784 -14.897 0.944 1.00 2.31 H new ATOM 0 HA GLU A 23 6.796 -16.785 -1.315 1.00 2.85 H new ATOM 0 HB2 GLU A 23 7.547 -13.835 -1.049 1.00 3.52 H new ATOM 0 HB3 GLU A 23 7.910 -14.781 -2.479 1.00 3.52 H new ATOM 0 HG2 GLU A 23 5.462 -15.305 -2.723 1.00 4.83 H new ATOM 0 HG3 GLU A 23 5.126 -14.291 -1.333 1.00 4.83 H new ATOM 371 N GLY A 24 9.529 -15.505 0.162 1.00 2.48 N ATOM 372 CA GLY A 24 10.968 -15.757 0.369 1.00 2.67 C ATOM 373 C GLY A 24 11.848 -14.539 0.663 1.00 2.15 C ATOM 374 O GLY A 24 13.036 -14.556 0.345 1.00 2.60 O ATOM 0 H GLY A 24 9.191 -14.644 0.593 1.00 2.48 H new ATOM 0 HA2 GLY A 24 11.074 -16.460 1.195 1.00 2.67 H new ATOM 0 HA3 GLY A 24 11.358 -16.250 -0.521 1.00 2.67 H new ATOM 377 N SER A 25 11.301 -13.477 1.250 1.00 2.22 N ATOM 378 CA SER A 25 12.005 -12.212 1.513 1.00 1.95 C ATOM 379 C SER A 25 11.296 -11.414 2.617 1.00 1.96 C ATOM 380 O SER A 25 10.114 -11.641 2.877 1.00 2.52 O ATOM 381 CB SER A 25 12.078 -11.407 0.207 1.00 2.03 C ATOM 382 OG SER A 25 12.727 -10.162 0.385 1.00 2.94 O ATOM 0 H SER A 25 10.331 -13.466 1.566 1.00 2.22 H new ATOM 0 HA SER A 25 13.016 -12.420 1.864 1.00 1.95 H new ATOM 0 HB2 SER A 25 12.609 -11.988 -0.547 1.00 2.03 H new ATOM 0 HB3 SER A 25 11.070 -11.239 -0.172 1.00 2.03 H new ATOM 0 HG SER A 25 13.420 -10.053 -0.300 1.00 2.94 H new ATOM 388 N LYS A 26 11.971 -10.483 3.308 1.00 1.77 N ATOM 389 CA LYS A 26 11.330 -9.637 4.331 1.00 1.84 C ATOM 390 C LYS A 26 11.492 -8.132 4.015 1.00 1.66 C ATOM 391 O LYS A 26 11.075 -7.275 4.788 1.00 1.90 O ATOM 392 CB LYS A 26 11.906 -10.052 5.689 1.00 1.98 C ATOM 393 CG LYS A 26 11.590 -11.519 6.051 1.00 2.06 C ATOM 394 CD LYS A 26 12.312 -11.950 7.331 1.00 2.53 C ATOM 395 CE LYS A 26 13.799 -12.222 7.064 1.00 2.13 C ATOM 396 NZ LYS A 26 14.570 -12.268 8.326 1.00 2.99 N ATOM 0 H LYS A 26 12.965 -10.295 3.177 1.00 1.77 H new ATOM 0 HA LYS A 26 10.251 -9.789 4.345 1.00 1.84 H new ATOM 0 HB2 LYS A 26 12.987 -9.910 5.679 1.00 1.98 H new ATOM 0 HB3 LYS A 26 11.506 -9.397 6.463 1.00 1.98 H new ATOM 0 HG2 LYS A 26 10.514 -11.639 6.181 1.00 2.06 H new ATOM 0 HG3 LYS A 26 11.886 -12.170 5.228 1.00 2.06 H new ATOM 0 HD2 LYS A 26 12.212 -11.172 8.088 1.00 2.53 H new ATOM 0 HD3 LYS A 26 11.842 -12.848 7.732 1.00 2.53 H new ATOM 0 HE2 LYS A 26 13.909 -13.168 6.533 1.00 2.13 H new ATOM 0 HE3 LYS A 26 14.203 -11.444 6.416 1.00 2.13 H new ATOM 0 HZ1 LYS A 26 15.571 -12.453 8.115 1.00 2.99 H new ATOM 0 HZ2 LYS A 26 14.483 -11.357 8.819 1.00 2.99 H new ATOM 0 HZ3 LYS A 26 14.198 -13.027 8.933 1.00 2.99 H new ATOM 410 N LEU A 27 12.130 -7.849 2.871 1.00 1.37 N ATOM 411 CA LEU A 27 12.576 -6.538 2.370 1.00 1.33 C ATOM 412 C LEU A 27 12.051 -6.242 0.945 1.00 1.16 C ATOM 413 O LEU A 27 11.888 -5.070 0.593 1.00 1.16 O ATOM 414 CB LEU A 27 14.124 -6.481 2.422 1.00 1.50 C ATOM 415 CG LEU A 27 14.852 -7.743 1.886 1.00 2.42 C ATOM 416 CD1 LEU A 27 16.174 -7.381 1.201 1.00 3.03 C ATOM 417 CD2 LEU A 27 15.095 -8.803 2.988 1.00 3.56 C ATOM 0 H LEU A 27 12.368 -8.593 2.216 1.00 1.37 H new ATOM 0 HA LEU A 27 12.158 -5.762 3.011 1.00 1.33 H new ATOM 0 HB2 LEU A 27 14.459 -5.617 1.848 1.00 1.50 H new ATOM 0 HB3 LEU A 27 14.431 -6.316 3.455 1.00 1.50 H new ATOM 0 HG LEU A 27 14.184 -8.185 1.146 1.00 2.42 H new ATOM 0 HD11 LEU A 27 16.656 -8.289 0.838 1.00 3.03 H new ATOM 0 HD12 LEU A 27 15.978 -6.714 0.362 1.00 3.03 H new ATOM 0 HD13 LEU A 27 16.829 -6.883 1.915 1.00 3.03 H new ATOM 0 HD21 LEU A 27 15.607 -9.664 2.558 1.00 3.56 H new ATOM 0 HD22 LEU A 27 15.710 -8.372 3.778 1.00 3.56 H new ATOM 0 HD23 LEU A 27 14.139 -9.120 3.405 1.00 3.56 H new ATOM 429 N THR A 28 11.731 -7.297 0.182 1.00 1.10 N ATOM 430 CA THR A 28 11.024 -7.291 -1.104 1.00 0.96 C ATOM 431 C THR A 28 9.856 -8.277 -1.058 1.00 1.04 C ATOM 432 O THR A 28 9.838 -9.134 -0.176 1.00 1.27 O ATOM 433 CB THR A 28 11.950 -7.663 -2.274 1.00 0.90 C ATOM 434 OG1 THR A 28 12.548 -8.921 -2.035 1.00 1.03 O ATOM 435 CG2 THR A 28 13.063 -6.637 -2.481 1.00 0.94 C ATOM 0 H THR A 28 11.978 -8.244 0.469 1.00 1.10 H new ATOM 0 HA THR A 28 10.660 -6.277 -1.270 1.00 0.96 H new ATOM 0 HB THR A 28 11.330 -7.689 -3.170 1.00 0.90 H new ATOM 0 HG1 THR A 28 12.600 -9.423 -2.875 1.00 1.03 H new ATOM 0 HG21 THR A 28 13.690 -6.944 -3.318 1.00 0.94 H new ATOM 0 HG22 THR A 28 12.624 -5.662 -2.695 1.00 0.94 H new ATOM 0 HG23 THR A 28 13.670 -6.571 -1.578 1.00 0.94 H new ATOM 443 N LEU A 29 8.921 -8.204 -2.012 1.00 0.94 N ATOM 444 CA LEU A 29 7.839 -9.183 -2.277 1.00 1.03 C ATOM 445 C LEU A 29 7.381 -9.086 -3.741 1.00 0.99 C ATOM 446 O LEU A 29 7.784 -8.140 -4.407 1.00 0.95 O ATOM 447 CB LEU A 29 6.686 -9.040 -1.253 1.00 1.07 C ATOM 448 CG LEU A 29 5.431 -8.214 -1.614 1.00 0.76 C ATOM 449 CD1 LEU A 29 4.467 -8.232 -0.417 1.00 0.94 C ATOM 450 CD2 LEU A 29 5.740 -6.763 -1.994 1.00 0.66 C ATOM 0 H LEU A 29 8.890 -7.418 -2.662 1.00 0.94 H new ATOM 0 HA LEU A 29 8.226 -10.192 -2.138 1.00 1.03 H new ATOM 0 HB2 LEU A 29 6.351 -10.046 -1.000 1.00 1.07 H new ATOM 0 HB3 LEU A 29 7.109 -8.607 -0.346 1.00 1.07 H new ATOM 0 HG LEU A 29 4.985 -8.676 -2.495 1.00 0.76 H new ATOM 0 HD11 LEU A 29 3.576 -7.652 -0.659 1.00 0.94 H new ATOM 0 HD12 LEU A 29 4.182 -9.260 -0.195 1.00 0.94 H new ATOM 0 HD13 LEU A 29 4.959 -7.796 0.453 1.00 0.94 H new ATOM 0 HD21 LEU A 29 4.812 -6.244 -2.235 1.00 0.66 H new ATOM 0 HD22 LEU A 29 6.228 -6.264 -1.157 1.00 0.66 H new ATOM 0 HD23 LEU A 29 6.400 -6.747 -2.861 1.00 0.66 H new ATOM 462 N SER A 30 6.569 -9.990 -4.289 1.00 1.06 N ATOM 463 CA SER A 30 6.132 -9.837 -5.686 1.00 1.08 C ATOM 464 C SER A 30 5.122 -8.697 -5.898 1.00 1.02 C ATOM 465 O SER A 30 4.284 -8.348 -5.064 1.00 0.97 O ATOM 466 CB SER A 30 5.643 -11.123 -6.369 1.00 1.10 C ATOM 467 OG SER A 30 4.396 -11.574 -5.883 1.00 1.48 O ATOM 0 H SER A 30 6.207 -10.814 -3.809 1.00 1.06 H new ATOM 0 HA SER A 30 7.060 -9.564 -6.188 1.00 1.08 H new ATOM 0 HB2 SER A 30 5.566 -10.949 -7.442 1.00 1.10 H new ATOM 0 HB3 SER A 30 6.386 -11.907 -6.226 1.00 1.10 H new ATOM 0 HG SER A 30 4.517 -12.423 -5.409 1.00 1.48 H new ATOM 473 N ARG A 31 5.179 -8.141 -7.104 1.00 1.13 N ATOM 474 CA ARG A 31 4.324 -7.114 -7.655 1.00 1.16 C ATOM 475 C ARG A 31 2.872 -7.599 -7.863 1.00 1.14 C ATOM 476 O ARG A 31 1.944 -6.792 -7.863 1.00 1.29 O ATOM 477 CB ARG A 31 5.125 -6.747 -8.904 1.00 1.87 C ATOM 478 CG ARG A 31 4.773 -5.469 -9.625 1.00 1.34 C ATOM 479 CD ARG A 31 5.970 -5.063 -10.501 1.00 1.78 C ATOM 480 NE ARG A 31 7.254 -4.779 -9.803 1.00 3.34 N ATOM 481 CZ ARG A 31 7.820 -3.600 -9.523 1.00 3.61 C ATOM 482 NH1 ARG A 31 7.257 -2.447 -9.791 1.00 2.75 N ATOM 483 NH2 ARG A 31 8.966 -3.556 -8.890 1.00 5.40 N ATOM 0 H ARG A 31 5.891 -8.429 -7.775 1.00 1.13 H new ATOM 0 HA ARG A 31 4.130 -6.247 -7.024 1.00 1.16 H new ATOM 0 HB2 ARG A 31 6.176 -6.691 -8.621 1.00 1.87 H new ATOM 0 HB3 ARG A 31 5.029 -7.568 -9.615 1.00 1.87 H new ATOM 0 HG2 ARG A 31 3.884 -5.612 -10.239 1.00 1.34 H new ATOM 0 HG3 ARG A 31 4.542 -4.680 -8.909 1.00 1.34 H new ATOM 0 HD2 ARG A 31 6.146 -5.860 -11.224 1.00 1.78 H new ATOM 0 HD3 ARG A 31 5.689 -4.175 -11.068 1.00 1.78 H new ATOM 0 HE ARG A 31 7.776 -5.599 -9.495 1.00 3.34 H new ATOM 0 HH11 ARG A 31 6.340 -2.419 -10.236 1.00 2.75 H new ATOM 0 HH12 ARG A 31 7.736 -1.578 -9.554 1.00 2.75 H new ATOM 0 HH21 ARG A 31 9.428 -4.421 -8.610 1.00 5.40 H new ATOM 0 HH22 ARG A 31 9.397 -2.656 -8.677 1.00 5.40 H new ATOM 497 N LYS A 32 2.645 -8.919 -7.925 1.00 1.17 N ATOM 498 CA LYS A 32 1.339 -9.562 -7.729 1.00 1.15 C ATOM 499 C LYS A 32 0.910 -9.579 -6.260 1.00 1.02 C ATOM 500 O LYS A 32 -0.185 -9.100 -5.958 1.00 1.10 O ATOM 501 CB LYS A 32 1.384 -10.986 -8.297 1.00 1.22 C ATOM 502 CG LYS A 32 1.021 -10.941 -9.782 1.00 2.03 C ATOM 503 CD LYS A 32 1.249 -12.305 -10.408 1.00 3.01 C ATOM 504 CE LYS A 32 0.845 -12.277 -11.883 1.00 3.91 C ATOM 505 NZ LYS A 32 1.274 -13.511 -12.574 1.00 5.12 N ATOM 0 H LYS A 32 3.389 -9.589 -8.119 1.00 1.17 H new ATOM 0 HA LYS A 32 0.592 -8.975 -8.263 1.00 1.15 H new ATOM 0 HB2 LYS A 32 2.378 -11.413 -8.165 1.00 1.22 H new ATOM 0 HB3 LYS A 32 0.687 -11.628 -7.758 1.00 1.22 H new ATOM 0 HG2 LYS A 32 -0.021 -10.645 -9.902 1.00 2.03 H new ATOM 0 HG3 LYS A 32 1.626 -10.191 -10.291 1.00 2.03 H new ATOM 0 HD2 LYS A 32 2.298 -12.586 -10.315 1.00 3.01 H new ATOM 0 HD3 LYS A 32 0.668 -13.060 -9.877 1.00 3.01 H new ATOM 0 HE2 LYS A 32 -0.236 -12.167 -11.965 1.00 3.91 H new ATOM 0 HE3 LYS A 32 1.291 -11.410 -12.369 1.00 3.91 H new ATOM 0 HZ1 LYS A 32 1.721 -13.264 -13.480 1.00 5.12 H new ATOM 0 HZ2 LYS A 32 1.957 -14.022 -11.979 1.00 5.12 H new ATOM 0 HZ3 LYS A 32 0.447 -14.116 -12.750 1.00 5.12 H new ATOM 519 N GLU A 33 1.759 -10.084 -5.360 1.00 0.93 N ATOM 520 CA GLU A 33 1.452 -10.216 -3.935 1.00 0.84 C ATOM 521 C GLU A 33 1.090 -8.865 -3.294 1.00 0.73 C ATOM 522 O GLU A 33 0.074 -8.771 -2.600 1.00 0.74 O ATOM 523 CB GLU A 33 2.645 -10.891 -3.244 1.00 0.88 C ATOM 524 CG GLU A 33 2.346 -11.298 -1.804 1.00 1.52 C ATOM 525 CD GLU A 33 1.499 -12.566 -1.682 1.00 1.90 C ATOM 526 OE1 GLU A 33 0.959 -13.076 -2.690 1.00 2.18 O ATOM 527 OE2 GLU A 33 1.492 -13.137 -0.569 1.00 3.22 O ATOM 0 H GLU A 33 2.691 -10.417 -5.605 1.00 0.93 H new ATOM 0 HA GLU A 33 0.566 -10.839 -3.809 1.00 0.84 H new ATOM 0 HB2 GLU A 33 2.935 -11.774 -3.813 1.00 0.88 H new ATOM 0 HB3 GLU A 33 3.497 -10.211 -3.254 1.00 0.88 H new ATOM 0 HG2 GLU A 33 3.288 -11.450 -1.277 1.00 1.52 H new ATOM 0 HG3 GLU A 33 1.829 -10.478 -1.305 1.00 1.52 H new ATOM 534 N LEU A 34 1.828 -7.792 -3.618 1.00 0.72 N ATOM 535 CA LEU A 34 1.500 -6.414 -3.226 1.00 0.68 C ATOM 536 C LEU A 34 0.014 -6.082 -3.458 1.00 0.71 C ATOM 537 O LEU A 34 -0.622 -5.414 -2.638 1.00 0.67 O ATOM 538 CB LEU A 34 2.388 -5.447 -4.040 1.00 0.73 C ATOM 539 CG LEU A 34 2.043 -3.961 -3.803 1.00 0.89 C ATOM 540 CD1 LEU A 34 2.288 -3.528 -2.355 1.00 1.08 C ATOM 541 CD2 LEU A 34 2.847 -3.044 -4.721 1.00 1.09 C ATOM 0 H LEU A 34 2.684 -7.860 -4.169 1.00 0.72 H new ATOM 0 HA LEU A 34 1.689 -6.305 -2.158 1.00 0.68 H new ATOM 0 HB2 LEU A 34 3.433 -5.617 -3.780 1.00 0.73 H new ATOM 0 HB3 LEU A 34 2.283 -5.673 -5.101 1.00 0.73 H new ATOM 0 HG LEU A 34 0.980 -3.869 -4.026 1.00 0.89 H new ATOM 0 HD11 LEU A 34 2.030 -2.475 -2.241 1.00 1.08 H new ATOM 0 HD12 LEU A 34 1.670 -4.127 -1.686 1.00 1.08 H new ATOM 0 HD13 LEU A 34 3.339 -3.673 -2.105 1.00 1.08 H new ATOM 0 HD21 LEU A 34 2.577 -2.006 -4.525 1.00 1.09 H new ATOM 0 HD22 LEU A 34 3.912 -3.184 -4.533 1.00 1.09 H new ATOM 0 HD23 LEU A 34 2.627 -3.286 -5.761 1.00 1.09 H new ATOM 553 N LYS A 35 -0.556 -6.522 -4.577 1.00 0.85 N ATOM 554 CA LYS A 35 -1.933 -6.192 -4.925 1.00 0.90 C ATOM 555 C LYS A 35 -2.945 -6.838 -3.961 1.00 0.83 C ATOM 556 O LYS A 35 -3.923 -6.195 -3.575 1.00 0.88 O ATOM 557 CB LYS A 35 -2.140 -6.580 -6.397 1.00 1.05 C ATOM 558 CG LYS A 35 -2.979 -5.535 -7.128 1.00 1.45 C ATOM 559 CD LYS A 35 -4.499 -5.690 -6.948 1.00 1.86 C ATOM 560 CE LYS A 35 -5.123 -6.627 -7.984 1.00 2.12 C ATOM 561 NZ LYS A 35 -4.944 -6.088 -9.350 1.00 3.25 N ATOM 0 H LYS A 35 -0.081 -7.111 -5.261 1.00 0.85 H new ATOM 0 HA LYS A 35 -2.114 -5.123 -4.814 1.00 0.90 H new ATOM 0 HB2 LYS A 35 -1.173 -6.683 -6.889 1.00 1.05 H new ATOM 0 HB3 LYS A 35 -2.632 -7.551 -6.455 1.00 1.05 H new ATOM 0 HG2 LYS A 35 -2.685 -4.545 -6.780 1.00 1.45 H new ATOM 0 HG3 LYS A 35 -2.746 -5.581 -8.192 1.00 1.45 H new ATOM 0 HD2 LYS A 35 -4.705 -6.071 -5.948 1.00 1.86 H new ATOM 0 HD3 LYS A 35 -4.971 -4.710 -7.019 1.00 1.86 H new ATOM 0 HE2 LYS A 35 -4.664 -7.613 -7.913 1.00 2.12 H new ATOM 0 HE3 LYS A 35 -6.185 -6.754 -7.774 1.00 2.12 H new ATOM 0 HZ1 LYS A 35 -5.474 -6.673 -10.026 1.00 3.25 H new ATOM 0 HZ2 LYS A 35 -5.297 -5.111 -9.387 1.00 3.25 H new ATOM 0 HZ3 LYS A 35 -3.934 -6.101 -9.599 1.00 3.25 H new ATOM 575 N GLU A 36 -2.670 -8.070 -3.538 1.00 0.79 N ATOM 576 CA GLU A 36 -3.431 -8.797 -2.514 1.00 0.79 C ATOM 577 C GLU A 36 -3.243 -8.170 -1.120 1.00 0.74 C ATOM 578 O GLU A 36 -4.222 -7.931 -0.411 1.00 0.86 O ATOM 579 CB GLU A 36 -3.000 -10.278 -2.535 1.00 0.90 C ATOM 580 CG GLU A 36 -3.659 -11.166 -1.470 1.00 1.34 C ATOM 581 CD GLU A 36 -5.142 -11.452 -1.691 1.00 1.95 C ATOM 582 OE1 GLU A 36 -5.844 -10.729 -2.431 1.00 1.96 O ATOM 583 OE2 GLU A 36 -5.657 -12.370 -1.020 1.00 3.47 O ATOM 0 H GLU A 36 -1.888 -8.610 -3.908 1.00 0.79 H new ATOM 0 HA GLU A 36 -4.495 -8.730 -2.739 1.00 0.79 H new ATOM 0 HB2 GLU A 36 -3.224 -10.691 -3.519 1.00 0.90 H new ATOM 0 HB3 GLU A 36 -1.919 -10.327 -2.407 1.00 0.90 H new ATOM 0 HG2 GLU A 36 -3.124 -12.115 -1.429 1.00 1.34 H new ATOM 0 HG3 GLU A 36 -3.538 -10.690 -0.497 1.00 1.34 H new ATOM 590 N LEU A 37 -1.997 -7.834 -0.760 1.00 0.70 N ATOM 591 CA LEU A 37 -1.653 -7.123 0.476 1.00 0.76 C ATOM 592 C LEU A 37 -2.466 -5.831 0.611 1.00 0.84 C ATOM 593 O LEU A 37 -3.142 -5.636 1.624 1.00 0.90 O ATOM 594 CB LEU A 37 -0.119 -6.915 0.489 1.00 0.82 C ATOM 595 CG LEU A 37 0.452 -5.812 1.408 1.00 0.93 C ATOM 596 CD1 LEU A 37 0.088 -5.960 2.885 1.00 1.01 C ATOM 597 CD2 LEU A 37 1.984 -5.797 1.280 1.00 1.57 C ATOM 0 H LEU A 37 -1.183 -8.054 -1.334 1.00 0.70 H new ATOM 0 HA LEU A 37 -1.920 -7.705 1.358 1.00 0.76 H new ATOM 0 HB2 LEU A 37 0.344 -7.860 0.773 1.00 0.82 H new ATOM 0 HB3 LEU A 37 0.198 -6.698 -0.531 1.00 0.82 H new ATOM 0 HG LEU A 37 -0.001 -4.879 1.072 1.00 0.93 H new ATOM 0 HD11 LEU A 37 0.532 -5.142 3.453 1.00 1.01 H new ATOM 0 HD12 LEU A 37 -0.996 -5.933 2.997 1.00 1.01 H new ATOM 0 HD13 LEU A 37 0.468 -6.910 3.260 1.00 1.01 H new ATOM 0 HD21 LEU A 37 2.395 -5.021 1.926 1.00 1.57 H new ATOM 0 HD22 LEU A 37 2.384 -6.766 1.578 1.00 1.57 H new ATOM 0 HD23 LEU A 37 2.261 -5.593 0.246 1.00 1.57 H new ATOM 609 N ILE A 38 -2.478 -4.970 -0.412 1.00 0.87 N ATOM 610 CA ILE A 38 -3.268 -3.731 -0.372 1.00 0.92 C ATOM 611 C ILE A 38 -4.765 -4.027 -0.215 1.00 0.94 C ATOM 612 O ILE A 38 -5.379 -3.469 0.682 1.00 1.18 O ATOM 613 CB ILE A 38 -2.950 -2.829 -1.587 1.00 0.90 C ATOM 614 CG1 ILE A 38 -1.469 -2.384 -1.579 1.00 1.04 C ATOM 615 CG2 ILE A 38 -3.858 -1.578 -1.593 1.00 0.93 C ATOM 616 CD1 ILE A 38 -1.001 -1.996 -2.983 1.00 1.27 C ATOM 0 H ILE A 38 -1.952 -5.106 -1.276 1.00 0.87 H new ATOM 0 HA ILE A 38 -2.978 -3.167 0.514 1.00 0.92 H new ATOM 0 HB ILE A 38 -3.138 -3.416 -2.486 1.00 0.90 H new ATOM 0 HG12 ILE A 38 -1.345 -1.537 -0.904 1.00 1.04 H new ATOM 0 HG13 ILE A 38 -0.846 -3.192 -1.195 1.00 1.04 H new ATOM 0 HG21 ILE A 38 -3.617 -0.958 -2.456 1.00 0.93 H new ATOM 0 HG22 ILE A 38 -4.902 -1.886 -1.648 1.00 0.93 H new ATOM 0 HG23 ILE A 38 -3.696 -1.007 -0.679 1.00 0.93 H new ATOM 0 HD11 ILE A 38 0.044 -1.688 -2.946 1.00 1.27 H new ATOM 0 HD12 ILE A 38 -1.103 -2.852 -3.650 1.00 1.27 H new ATOM 0 HD13 ILE A 38 -1.610 -1.172 -3.355 1.00 1.27 H new ATOM 628 N LYS A 39 -5.387 -4.891 -1.028 1.00 0.93 N ATOM 629 CA LYS A 39 -6.840 -5.100 -0.972 1.00 1.01 C ATOM 630 C LYS A 39 -7.378 -5.905 0.229 1.00 1.01 C ATOM 631 O LYS A 39 -8.600 -6.003 0.367 1.00 1.24 O ATOM 632 CB LYS A 39 -7.313 -5.684 -2.317 1.00 1.02 C ATOM 633 CG LYS A 39 -7.781 -4.619 -3.324 1.00 1.31 C ATOM 634 CD LYS A 39 -8.944 -3.711 -2.876 1.00 1.64 C ATOM 635 CE LYS A 39 -10.164 -4.508 -2.402 1.00 2.16 C ATOM 636 NZ LYS A 39 -11.223 -3.596 -1.925 1.00 2.91 N ATOM 0 H LYS A 39 -4.909 -5.455 -1.730 1.00 0.93 H new ATOM 0 HA LYS A 39 -7.273 -4.115 -0.800 1.00 1.01 H new ATOM 0 HB2 LYS A 39 -6.499 -6.257 -2.760 1.00 1.02 H new ATOM 0 HB3 LYS A 39 -8.130 -6.381 -2.133 1.00 1.02 H new ATOM 0 HG2 LYS A 39 -6.929 -3.985 -3.571 1.00 1.31 H new ATOM 0 HG3 LYS A 39 -8.078 -5.125 -4.242 1.00 1.31 H new ATOM 0 HD2 LYS A 39 -8.603 -3.061 -2.070 1.00 1.64 H new ATOM 0 HD3 LYS A 39 -9.236 -3.065 -3.704 1.00 1.64 H new ATOM 0 HE2 LYS A 39 -10.545 -5.122 -3.218 1.00 2.16 H new ATOM 0 HE3 LYS A 39 -9.873 -5.188 -1.601 1.00 2.16 H new ATOM 0 HZ1 LYS A 39 -11.993 -4.151 -1.499 1.00 2.91 H new ATOM 0 HZ2 LYS A 39 -10.828 -2.948 -1.214 1.00 2.91 H new ATOM 0 HZ3 LYS A 39 -11.595 -3.047 -2.726 1.00 2.91 H new ATOM 650 N LYS A 40 -6.519 -6.508 1.057 1.00 0.88 N ATOM 651 CA LYS A 40 -6.898 -7.057 2.363 1.00 1.11 C ATOM 652 C LYS A 40 -6.660 -6.091 3.530 1.00 1.33 C ATOM 653 O LYS A 40 -7.527 -5.968 4.396 1.00 1.67 O ATOM 654 CB LYS A 40 -6.111 -8.362 2.591 1.00 1.08 C ATOM 655 CG LYS A 40 -6.876 -9.607 2.155 1.00 1.57 C ATOM 656 CD LYS A 40 -7.188 -9.665 0.657 1.00 1.55 C ATOM 657 CE LYS A 40 -7.876 -11.007 0.415 1.00 1.92 C ATOM 658 NZ LYS A 40 -8.121 -11.252 -1.023 1.00 2.34 N ATOM 0 H LYS A 40 -5.530 -6.630 0.837 1.00 0.88 H new ATOM 0 HA LYS A 40 -7.972 -7.240 2.342 1.00 1.11 H new ATOM 0 HB2 LYS A 40 -5.169 -8.312 2.044 1.00 1.08 H new ATOM 0 HB3 LYS A 40 -5.861 -8.448 3.648 1.00 1.08 H new ATOM 0 HG2 LYS A 40 -6.296 -10.489 2.427 1.00 1.57 H new ATOM 0 HG3 LYS A 40 -7.812 -9.657 2.711 1.00 1.57 H new ATOM 0 HD2 LYS A 40 -7.834 -8.838 0.362 1.00 1.55 H new ATOM 0 HD3 LYS A 40 -6.276 -9.583 0.066 1.00 1.55 H new ATOM 0 HE2 LYS A 40 -7.259 -11.809 0.820 1.00 1.92 H new ATOM 0 HE3 LYS A 40 -8.823 -11.031 0.954 1.00 1.92 H new ATOM 0 HZ1 LYS A 40 -7.947 -12.254 -1.239 1.00 2.34 H new ATOM 0 HZ2 LYS A 40 -9.107 -11.015 -1.253 1.00 2.34 H new ATOM 0 HZ3 LYS A 40 -7.481 -10.660 -1.590 1.00 2.34 H new ATOM 672 N GLU A 41 -5.495 -5.439 3.585 1.00 1.24 N ATOM 673 CA GLU A 41 -5.103 -4.671 4.769 1.00 1.37 C ATOM 674 C GLU A 41 -5.568 -3.204 4.690 1.00 1.52 C ATOM 675 O GLU A 41 -5.697 -2.543 5.729 1.00 1.83 O ATOM 676 CB GLU A 41 -3.591 -4.772 5.001 1.00 1.46 C ATOM 677 CG GLU A 41 -2.984 -6.182 4.934 1.00 1.68 C ATOM 678 CD GLU A 41 -3.431 -7.139 6.033 1.00 2.90 C ATOM 679 OE1 GLU A 41 -4.490 -7.789 5.929 1.00 4.02 O ATOM 680 OE2 GLU A 41 -2.600 -7.427 6.921 1.00 3.75 O ATOM 0 H GLU A 41 -4.811 -5.428 2.828 1.00 1.24 H new ATOM 0 HA GLU A 41 -5.609 -5.110 5.629 1.00 1.37 H new ATOM 0 HB2 GLU A 41 -3.089 -4.148 4.261 1.00 1.46 H new ATOM 0 HB3 GLU A 41 -3.366 -4.349 5.980 1.00 1.46 H new ATOM 0 HG2 GLU A 41 -3.235 -6.622 3.969 1.00 1.68 H new ATOM 0 HG3 GLU A 41 -1.898 -6.094 4.972 1.00 1.68 H new ATOM 687 N LEU A 42 -5.875 -2.708 3.482 1.00 1.45 N ATOM 688 CA LEU A 42 -6.763 -1.584 3.208 1.00 1.47 C ATOM 689 C LEU A 42 -8.112 -2.105 2.688 1.00 1.33 C ATOM 690 O LEU A 42 -8.236 -3.247 2.243 1.00 1.38 O ATOM 691 CB LEU A 42 -6.088 -0.600 2.228 1.00 1.58 C ATOM 692 CG LEU A 42 -5.577 0.659 2.946 1.00 1.63 C ATOM 693 CD1 LEU A 42 -4.434 0.363 3.923 1.00 2.02 C ATOM 694 CD2 LEU A 42 -5.116 1.709 1.930 1.00 3.41 C ATOM 0 H LEU A 42 -5.486 -3.107 2.628 1.00 1.45 H new ATOM 0 HA LEU A 42 -6.960 -1.031 4.127 1.00 1.47 H new ATOM 0 HB2 LEU A 42 -5.256 -1.097 1.729 1.00 1.58 H new ATOM 0 HB3 LEU A 42 -6.799 -0.313 1.453 1.00 1.58 H new ATOM 0 HG LEU A 42 -6.416 1.043 3.525 1.00 1.63 H new ATOM 0 HD11 LEU A 42 -4.114 1.289 4.400 1.00 2.02 H new ATOM 0 HD12 LEU A 42 -4.778 -0.337 4.684 1.00 2.02 H new ATOM 0 HD13 LEU A 42 -3.596 -0.074 3.380 1.00 2.02 H new ATOM 0 HD21 LEU A 42 -4.758 2.593 2.458 1.00 3.41 H new ATOM 0 HD22 LEU A 42 -4.310 1.298 1.322 1.00 3.41 H new ATOM 0 HD23 LEU A 42 -5.952 1.984 1.287 1.00 3.41 H new ATOM 706 N CYS A 43 -9.123 -1.237 2.771 1.00 1.78 N ATOM 707 CA CYS A 43 -10.503 -1.480 2.345 1.00 1.77 C ATOM 708 C CYS A 43 -10.649 -1.321 0.822 1.00 2.38 C ATOM 709 O CYS A 43 -10.059 -2.087 0.058 1.00 3.81 O ATOM 710 CB CYS A 43 -11.441 -0.653 3.261 1.00 2.86 C ATOM 711 SG CYS A 43 -12.750 -1.733 3.913 1.00 2.83 S ATOM 0 H CYS A 43 -8.995 -0.301 3.155 1.00 1.78 H new ATOM 0 HA CYS A 43 -10.815 -2.515 2.485 1.00 1.77 H new ATOM 0 HB2 CYS A 43 -10.873 -0.215 4.082 1.00 2.86 H new ATOM 0 HB3 CYS A 43 -11.880 0.172 2.701 1.00 2.86 H new ATOM 0 HG CYS A 43 -13.538 -1.043 4.684 1.00 2.83 H new ATOM 774 N LYS A 48 -14.132 4.827 -2.320 1.00 1.81 N ATOM 775 CA LYS A 48 -13.492 5.184 -3.576 1.00 1.74 C ATOM 776 C LYS A 48 -13.385 4.065 -4.651 1.00 2.08 C ATOM 777 O LYS A 48 -13.852 2.940 -4.499 1.00 2.87 O ATOM 778 CB LYS A 48 -12.169 5.881 -3.232 1.00 1.90 C ATOM 779 CG LYS A 48 -12.309 7.230 -2.497 1.00 2.54 C ATOM 780 CD LYS A 48 -12.683 8.396 -3.429 1.00 3.59 C ATOM 781 CE LYS A 48 -11.517 8.756 -4.370 1.00 4.55 C ATOM 782 NZ LYS A 48 -11.972 9.245 -5.693 1.00 5.83 N ATOM 0 HA LYS A 48 -14.151 5.870 -4.109 1.00 1.74 H new ATOM 0 HB2 LYS A 48 -11.573 5.209 -2.615 1.00 1.90 H new ATOM 0 HB3 LYS A 48 -11.612 6.044 -4.155 1.00 1.90 H new ATOM 0 HG2 LYS A 48 -13.069 7.136 -1.721 1.00 2.54 H new ATOM 0 HG3 LYS A 48 -11.369 7.462 -1.996 1.00 2.54 H new ATOM 0 HD2 LYS A 48 -13.559 8.127 -4.019 1.00 3.59 H new ATOM 0 HD3 LYS A 48 -12.955 9.268 -2.834 1.00 3.59 H new ATOM 0 HE2 LYS A 48 -10.899 9.521 -3.899 1.00 4.55 H new ATOM 0 HE3 LYS A 48 -10.886 7.878 -4.510 1.00 4.55 H new ATOM 0 HZ1 LYS A 48 -11.146 9.439 -6.294 1.00 5.83 H new ATOM 0 HZ2 LYS A 48 -12.567 8.521 -6.145 1.00 5.83 H new ATOM 0 HZ3 LYS A 48 -12.523 10.118 -5.570 1.00 5.83 H new ATOM 796 N GLU A 49 -12.826 4.457 -5.792 1.00 2.25 N ATOM 797 CA GLU A 49 -12.881 3.848 -7.116 1.00 2.63 C ATOM 798 C GLU A 49 -11.692 4.347 -7.960 1.00 2.24 C ATOM 799 O GLU A 49 -10.914 5.183 -7.501 1.00 2.82 O ATOM 800 CB GLU A 49 -14.217 4.183 -7.822 1.00 3.38 C ATOM 801 CG GLU A 49 -14.790 5.591 -7.585 1.00 3.92 C ATOM 802 CD GLU A 49 -13.754 6.719 -7.478 1.00 4.56 C ATOM 803 OE1 GLU A 49 -13.259 7.235 -8.496 1.00 5.10 O ATOM 804 OE2 GLU A 49 -13.414 7.058 -6.320 1.00 5.27 O ATOM 0 H GLU A 49 -12.260 5.305 -5.812 1.00 2.25 H new ATOM 0 HA GLU A 49 -12.820 2.765 -7.008 1.00 2.63 H new ATOM 0 HB2 GLU A 49 -14.078 4.048 -8.895 1.00 3.38 H new ATOM 0 HB3 GLU A 49 -14.962 3.454 -7.503 1.00 3.38 H new ATOM 0 HG2 GLU A 49 -15.475 5.827 -8.399 1.00 3.92 H new ATOM 0 HG3 GLU A 49 -15.379 5.575 -6.668 1.00 3.92 H new ATOM 811 N SER A 50 -11.575 3.855 -9.196 1.00 2.37 N ATOM 812 CA SER A 50 -10.907 4.471 -10.362 1.00 2.10 C ATOM 813 C SER A 50 -9.481 4.993 -10.129 1.00 2.02 C ATOM 814 O SER A 50 -8.518 4.387 -10.586 1.00 3.21 O ATOM 815 CB SER A 50 -11.806 5.556 -10.978 1.00 2.17 C ATOM 816 OG SER A 50 -11.439 5.785 -12.329 1.00 3.29 O ATOM 0 H SER A 50 -11.973 2.946 -9.433 1.00 2.37 H new ATOM 0 HA SER A 50 -10.766 3.651 -11.066 1.00 2.10 H new ATOM 0 HB2 SER A 50 -12.850 5.248 -10.924 1.00 2.17 H new ATOM 0 HB3 SER A 50 -11.717 6.480 -10.407 1.00 2.17 H new ATOM 0 HG SER A 50 -12.018 6.476 -12.713 1.00 3.29 H new ATOM 822 N SER A 51 -9.304 6.103 -9.417 1.00 1.72 N ATOM 823 CA SER A 51 -7.976 6.606 -9.051 1.00 1.82 C ATOM 824 C SER A 51 -7.231 5.708 -8.048 1.00 1.73 C ATOM 825 O SER A 51 -6.026 5.888 -7.876 1.00 2.22 O ATOM 826 CB SER A 51 -8.114 8.014 -8.466 1.00 2.19 C ATOM 827 OG SER A 51 -6.837 8.543 -8.182 1.00 3.18 O ATOM 0 H SER A 51 -10.073 6.680 -9.077 1.00 1.72 H new ATOM 0 HA SER A 51 -7.381 6.614 -9.964 1.00 1.82 H new ATOM 0 HB2 SER A 51 -8.637 8.661 -9.171 1.00 2.19 H new ATOM 0 HB3 SER A 51 -8.715 7.982 -7.557 1.00 2.19 H new ATOM 0 HG SER A 51 -6.198 7.809 -8.063 1.00 3.18 H new ATOM 833 N ILE A 52 -7.916 4.775 -7.374 1.00 1.44 N ATOM 834 CA ILE A 52 -7.268 3.674 -6.626 1.00 1.42 C ATOM 835 C ILE A 52 -7.137 2.388 -7.447 1.00 1.25 C ATOM 836 O ILE A 52 -6.489 1.444 -7.000 1.00 1.46 O ATOM 837 CB ILE A 52 -7.954 3.427 -5.255 1.00 1.65 C ATOM 838 CG1 ILE A 52 -9.388 2.842 -5.293 1.00 2.05 C ATOM 839 CG2 ILE A 52 -7.961 4.742 -4.452 1.00 2.21 C ATOM 840 CD1 ILE A 52 -9.469 1.322 -5.485 1.00 1.96 C ATOM 0 H ILE A 52 -8.935 4.756 -7.328 1.00 1.44 H new ATOM 0 HA ILE A 52 -6.249 4.002 -6.422 1.00 1.42 H new ATOM 0 HB ILE A 52 -7.355 2.649 -4.782 1.00 1.65 H new ATOM 0 HG12 ILE A 52 -9.894 3.102 -4.363 1.00 2.05 H new ATOM 0 HG13 ILE A 52 -9.938 3.324 -6.101 1.00 2.05 H new ATOM 0 HG21 ILE A 52 -8.441 4.577 -3.488 1.00 2.21 H new ATOM 0 HG22 ILE A 52 -6.936 5.077 -4.294 1.00 2.21 H new ATOM 0 HG23 ILE A 52 -8.511 5.503 -5.005 1.00 2.21 H new ATOM 0 HD11 ILE A 52 -10.514 1.012 -5.498 1.00 1.96 H new ATOM 0 HD12 ILE A 52 -8.998 1.049 -6.429 1.00 1.96 H new ATOM 0 HD13 ILE A 52 -8.953 0.824 -4.665 1.00 1.96 H new ATOM 852 N ASP A 53 -7.780 2.326 -8.613 1.00 1.17 N ATOM 853 CA ASP A 53 -7.984 1.117 -9.410 1.00 1.16 C ATOM 854 C ASP A 53 -7.060 1.058 -10.639 1.00 0.99 C ATOM 855 O ASP A 53 -6.521 -0.004 -10.942 1.00 1.05 O ATOM 856 CB ASP A 53 -9.465 1.081 -9.810 1.00 1.52 C ATOM 857 CG ASP A 53 -9.837 -0.187 -10.567 1.00 2.04 C ATOM 858 OD1 ASP A 53 -9.604 -1.303 -10.046 1.00 2.59 O ATOM 859 OD2 ASP A 53 -10.354 -0.078 -11.699 1.00 2.89 O ATOM 0 H ASP A 53 -8.191 3.153 -9.046 1.00 1.17 H new ATOM 0 HA ASP A 53 -7.725 0.238 -8.819 1.00 1.16 H new ATOM 0 HB2 ASP A 53 -10.081 1.159 -8.914 1.00 1.52 H new ATOM 0 HB3 ASP A 53 -9.691 1.949 -10.429 1.00 1.52 H new ATOM 864 N ASP A 54 -6.797 2.196 -11.292 1.00 1.00 N ATOM 865 CA ASP A 54 -5.746 2.331 -12.316 1.00 1.08 C ATOM 866 C ASP A 54 -4.383 1.896 -11.764 1.00 0.94 C ATOM 867 O ASP A 54 -3.704 1.044 -12.345 1.00 1.05 O ATOM 868 CB ASP A 54 -5.676 3.794 -12.789 1.00 1.42 C ATOM 869 CG ASP A 54 -4.509 3.995 -13.764 1.00 1.74 C ATOM 870 OD1 ASP A 54 -4.694 3.662 -14.955 1.00 2.37 O ATOM 871 OD2 ASP A 54 -3.435 4.438 -13.295 1.00 2.73 O ATOM 0 H ASP A 54 -7.312 3.061 -11.125 1.00 1.00 H new ATOM 0 HA ASP A 54 -5.995 1.684 -13.157 1.00 1.08 H new ATOM 0 HB2 ASP A 54 -6.613 4.070 -13.274 1.00 1.42 H new ATOM 0 HB3 ASP A 54 -5.556 4.454 -11.930 1.00 1.42 H new ATOM 876 N LEU A 55 -4.034 2.409 -10.578 1.00 0.87 N ATOM 877 CA LEU A 55 -2.808 2.069 -9.859 1.00 0.83 C ATOM 878 C LEU A 55 -2.678 0.553 -9.667 1.00 0.81 C ATOM 879 O LEU A 55 -1.603 -0.011 -9.854 1.00 0.87 O ATOM 880 CB LEU A 55 -2.786 2.813 -8.508 1.00 0.80 C ATOM 881 CG LEU A 55 -2.865 4.346 -8.586 1.00 0.93 C ATOM 882 CD1 LEU A 55 -2.932 4.937 -7.173 1.00 1.07 C ATOM 883 CD2 LEU A 55 -1.698 4.949 -9.379 1.00 1.04 C ATOM 0 H LEU A 55 -4.612 3.088 -10.083 1.00 0.87 H new ATOM 0 HA LEU A 55 -1.949 2.387 -10.450 1.00 0.83 H new ATOM 0 HB2 LEU A 55 -3.620 2.456 -7.904 1.00 0.80 H new ATOM 0 HB3 LEU A 55 -1.872 2.542 -7.980 1.00 0.80 H new ATOM 0 HG LEU A 55 -3.776 4.605 -9.126 1.00 0.93 H new ATOM 0 HD11 LEU A 55 -2.988 6.024 -7.235 1.00 1.07 H new ATOM 0 HD12 LEU A 55 -3.816 4.557 -6.661 1.00 1.07 H new ATOM 0 HD13 LEU A 55 -2.040 4.651 -6.616 1.00 1.07 H new ATOM 0 HD21 LEU A 55 -1.799 6.034 -9.406 1.00 1.04 H new ATOM 0 HD22 LEU A 55 -0.756 4.684 -8.899 1.00 1.04 H new ATOM 0 HD23 LEU A 55 -1.709 4.558 -10.397 1.00 1.04 H new ATOM 895 N MET A 56 -3.783 -0.129 -9.358 1.00 0.79 N ATOM 896 CA MET A 56 -3.837 -1.577 -9.149 1.00 0.87 C ATOM 897 C MET A 56 -3.752 -2.390 -10.449 1.00 0.91 C ATOM 898 O MET A 56 -3.188 -3.489 -10.441 1.00 1.09 O ATOM 899 CB MET A 56 -5.120 -1.872 -8.369 1.00 1.06 C ATOM 900 CG MET A 56 -5.028 -1.277 -6.959 1.00 1.40 C ATOM 901 SD MET A 56 -3.814 -2.076 -5.885 1.00 2.28 S ATOM 902 CE MET A 56 -4.981 -2.897 -4.804 1.00 1.39 C ATOM 0 H MET A 56 -4.690 0.324 -9.243 1.00 0.79 H new ATOM 0 HA MET A 56 -2.959 -1.891 -8.585 1.00 0.87 H new ATOM 0 HB2 MET A 56 -5.978 -1.453 -8.894 1.00 1.06 H new ATOM 0 HB3 MET A 56 -5.278 -2.949 -8.308 1.00 1.06 H new ATOM 0 HG2 MET A 56 -4.781 -0.219 -7.041 1.00 1.40 H new ATOM 0 HG3 MET A 56 -6.009 -1.340 -6.487 1.00 1.40 H new ATOM 0 HE1 MET A 56 -4.494 -3.741 -4.317 1.00 1.39 H new ATOM 0 HE2 MET A 56 -5.332 -2.195 -4.048 1.00 1.39 H new ATOM 0 HE3 MET A 56 -5.829 -3.255 -5.388 1.00 1.39 H new ATOM 912 N LYS A 57 -4.250 -1.857 -11.572 1.00 0.91 N ATOM 913 CA LYS A 57 -3.938 -2.373 -12.916 1.00 1.06 C ATOM 914 C LYS A 57 -2.464 -2.129 -13.285 1.00 1.11 C ATOM 915 O LYS A 57 -1.846 -2.953 -13.953 1.00 1.31 O ATOM 916 CB LYS A 57 -4.863 -1.741 -13.981 1.00 1.22 C ATOM 917 CG LYS A 57 -6.204 -2.470 -14.167 1.00 1.72 C ATOM 918 CD LYS A 57 -7.249 -2.127 -13.098 1.00 3.12 C ATOM 919 CE LYS A 57 -8.527 -2.926 -13.376 1.00 3.86 C ATOM 920 NZ LYS A 57 -9.629 -2.522 -12.472 1.00 5.07 N ATOM 0 H LYS A 57 -4.881 -1.056 -11.577 1.00 0.91 H new ATOM 0 HA LYS A 57 -4.111 -3.449 -12.897 1.00 1.06 H new ATOM 0 HB2 LYS A 57 -5.061 -0.705 -13.705 1.00 1.22 H new ATOM 0 HB3 LYS A 57 -4.338 -1.721 -14.936 1.00 1.22 H new ATOM 0 HG2 LYS A 57 -6.608 -2.223 -15.149 1.00 1.72 H new ATOM 0 HG3 LYS A 57 -6.027 -3.545 -14.156 1.00 1.72 H new ATOM 0 HD2 LYS A 57 -6.865 -2.364 -12.106 1.00 3.12 H new ATOM 0 HD3 LYS A 57 -7.463 -1.058 -13.110 1.00 3.12 H new ATOM 0 HE2 LYS A 57 -8.832 -2.777 -14.412 1.00 3.86 H new ATOM 0 HE3 LYS A 57 -8.326 -3.990 -13.253 1.00 3.86 H new ATOM 0 HZ1 LYS A 57 -10.445 -3.150 -12.617 1.00 5.07 H new ATOM 0 HZ2 LYS A 57 -9.311 -2.591 -11.484 1.00 5.07 H new ATOM 0 HZ3 LYS A 57 -9.906 -1.541 -12.679 1.00 5.07 H new ATOM 934 N SER A 58 -1.856 -1.049 -12.811 1.00 1.02 N ATOM 935 CA SER A 58 -0.442 -0.723 -13.061 1.00 1.11 C ATOM 936 C SER A 58 0.557 -1.672 -12.356 1.00 1.13 C ATOM 937 O SER A 58 1.708 -1.791 -12.782 1.00 1.29 O ATOM 938 CB SER A 58 -0.185 0.747 -12.694 1.00 1.12 C ATOM 939 OG SER A 58 0.763 1.340 -13.572 1.00 1.59 O ATOM 0 H SER A 58 -2.332 -0.358 -12.231 1.00 1.02 H new ATOM 0 HA SER A 58 -0.260 -0.873 -14.125 1.00 1.11 H new ATOM 0 HB2 SER A 58 -1.121 1.304 -12.736 1.00 1.12 H new ATOM 0 HB3 SER A 58 0.177 0.810 -11.668 1.00 1.12 H new ATOM 0 HG SER A 58 0.906 2.275 -13.316 1.00 1.59 H new ATOM 945 N LEU A 59 0.117 -2.409 -11.322 1.00 1.08 N ATOM 946 CA LEU A 59 0.919 -3.442 -10.654 1.00 1.10 C ATOM 947 C LEU A 59 0.799 -4.753 -11.422 1.00 1.17 C ATOM 948 O LEU A 59 1.806 -5.367 -11.780 1.00 1.22 O ATOM 949 CB LEU A 59 0.423 -3.614 -9.205 1.00 1.08 C ATOM 950 CG LEU A 59 0.676 -2.405 -8.286 1.00 1.08 C ATOM 951 CD1 LEU A 59 0.077 -2.707 -6.906 1.00 1.11 C ATOM 952 CD2 LEU A 59 2.171 -2.068 -8.179 1.00 1.28 C ATOM 0 H LEU A 59 -0.816 -2.301 -10.924 1.00 1.08 H new ATOM 0 HA LEU A 59 1.968 -3.145 -10.633 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -0.647 -3.819 -9.225 1.00 1.08 H new ATOM 0 HB3 LEU A 59 0.908 -4.489 -8.772 1.00 1.08 H new ATOM 0 HG LEU A 59 0.194 -1.526 -8.715 1.00 1.08 H new ATOM 0 HD11 LEU A 59 0.248 -1.860 -6.242 1.00 1.11 H new ATOM 0 HD12 LEU A 59 -0.995 -2.881 -7.005 1.00 1.11 H new ATOM 0 HD13 LEU A 59 0.552 -3.596 -6.490 1.00 1.11 H new ATOM 0 HD21 LEU A 59 2.304 -1.209 -7.521 1.00 1.28 H new ATOM 0 HD22 LEU A 59 2.709 -2.924 -7.771 1.00 1.28 H new ATOM 0 HD23 LEU A 59 2.562 -1.831 -9.168 1.00 1.28 H new ATOM 964 N ASP A 60 -0.440 -5.110 -11.753 1.00 1.21 N ATOM 965 CA ASP A 60 -0.812 -6.217 -12.628 1.00 1.28 C ATOM 966 C ASP A 60 -0.054 -6.189 -13.971 1.00 1.33 C ATOM 967 O ASP A 60 0.329 -7.233 -14.489 1.00 1.61 O ATOM 968 CB ASP A 60 -2.331 -6.121 -12.857 1.00 1.33 C ATOM 969 CG ASP A 60 -3.189 -6.676 -11.717 1.00 2.04 C ATOM 970 OD1 ASP A 60 -2.687 -6.833 -10.583 1.00 3.17 O ATOM 971 OD2 ASP A 60 -4.412 -6.866 -11.915 1.00 2.79 O ATOM 0 H ASP A 60 -1.254 -4.607 -11.399 1.00 1.21 H new ATOM 0 HA ASP A 60 -0.541 -7.161 -12.156 1.00 1.28 H new ATOM 0 HB2 ASP A 60 -2.595 -5.075 -13.016 1.00 1.33 H new ATOM 0 HB3 ASP A 60 -2.580 -6.655 -13.774 1.00 1.33 H new ATOM 976 N LYS A 61 0.241 -4.993 -14.488 1.00 1.25 N ATOM 977 CA LYS A 61 1.002 -4.723 -15.707 1.00 1.34 C ATOM 978 C LYS A 61 2.493 -5.122 -15.701 1.00 1.43 C ATOM 979 O LYS A 61 3.154 -5.067 -16.745 1.00 1.84 O ATOM 980 CB LYS A 61 0.846 -3.236 -15.934 1.00 1.40 C ATOM 981 CG LYS A 61 1.006 -2.926 -17.418 1.00 1.87 C ATOM 982 CD LYS A 61 1.677 -1.572 -17.557 1.00 2.40 C ATOM 983 CE LYS A 61 3.137 -1.644 -17.088 1.00 4.05 C ATOM 984 NZ LYS A 61 3.982 -2.554 -17.903 1.00 5.46 N ATOM 0 H LYS A 61 -0.066 -4.132 -14.035 1.00 1.25 H new ATOM 0 HA LYS A 61 0.605 -5.350 -16.505 1.00 1.34 H new ATOM 0 HB2 LYS A 61 -0.133 -2.906 -15.587 1.00 1.40 H new ATOM 0 HB3 LYS A 61 1.591 -2.689 -15.356 1.00 1.40 H new ATOM 0 HG2 LYS A 61 1.604 -3.697 -17.904 1.00 1.87 H new ATOM 0 HG3 LYS A 61 0.034 -2.919 -17.911 1.00 1.87 H new ATOM 0 HD2 LYS A 61 1.639 -1.246 -18.596 1.00 2.40 H new ATOM 0 HD3 LYS A 61 1.136 -0.830 -16.970 1.00 2.40 H new ATOM 0 HE2 LYS A 61 3.567 -0.643 -17.114 1.00 4.05 H new ATOM 0 HE3 LYS A 61 3.160 -1.974 -16.049 1.00 4.05 H new ATOM 0 HZ1 LYS A 61 4.693 -3.006 -17.294 1.00 5.46 H new ATOM 0 HZ2 LYS A 61 3.384 -3.285 -18.339 1.00 5.46 H new ATOM 0 HZ3 LYS A 61 4.461 -2.009 -18.648 1.00 5.46 H new ATOM 998 N ASN A 62 3.044 -5.430 -14.530 1.00 1.37 N ATOM 999 CA ASN A 62 4.437 -5.886 -14.357 1.00 1.71 C ATOM 1000 C ASN A 62 4.604 -7.110 -13.429 1.00 1.71 C ATOM 1001 O ASN A 62 5.408 -7.976 -13.749 1.00 2.36 O ATOM 1002 CB ASN A 62 5.331 -4.704 -13.942 1.00 2.06 C ATOM 1003 CG ASN A 62 5.966 -4.024 -15.153 1.00 2.23 C ATOM 1004 OD1 ASN A 62 5.487 -3.023 -15.671 1.00 2.55 O ATOM 1005 ND2 ASN A 62 7.051 -4.571 -15.660 1.00 2.85 N ATOM 0 H ASN A 62 2.531 -5.371 -13.651 1.00 1.37 H new ATOM 0 HA ASN A 62 4.766 -6.254 -15.329 1.00 1.71 H new ATOM 0 HB2 ASN A 62 4.739 -3.977 -13.386 1.00 2.06 H new ATOM 0 HB3 ASN A 62 6.114 -5.058 -13.271 1.00 2.06 H new ATOM 0 HD21 ASN A 62 7.492 -4.161 -16.483 1.00 2.85 H new ATOM 0 HD22 ASN A 62 7.451 -5.405 -15.229 1.00 2.85 H new ATOM 1012 N SER A 63 3.823 -7.244 -12.353 1.00 1.53 N ATOM 1013 CA SER A 63 3.279 -8.517 -11.833 1.00 1.27 C ATOM 1014 C SER A 63 4.265 -9.568 -11.280 1.00 1.21 C ATOM 1015 O SER A 63 4.293 -9.832 -10.083 1.00 1.42 O ATOM 1016 CB SER A 63 2.390 -9.143 -12.917 1.00 1.54 C ATOM 1017 OG SER A 63 1.012 -9.052 -12.595 1.00 1.86 O ATOM 0 H SER A 63 3.537 -6.441 -11.793 1.00 1.53 H new ATOM 0 HA SER A 63 2.731 -8.225 -10.937 1.00 1.27 H new ATOM 0 HB2 SER A 63 2.573 -8.644 -13.868 1.00 1.54 H new ATOM 0 HB3 SER A 63 2.663 -10.190 -13.049 1.00 1.54 H new ATOM 0 HG SER A 63 0.547 -8.541 -13.290 1.00 1.86 H new ATOM 1023 N ASP A 64 5.082 -10.199 -12.126 1.00 1.13 N ATOM 1024 CA ASP A 64 5.829 -11.436 -11.835 1.00 1.22 C ATOM 1025 C ASP A 64 7.282 -11.094 -11.499 1.00 1.20 C ATOM 1026 O ASP A 64 8.234 -11.821 -11.781 1.00 1.55 O ATOM 1027 CB ASP A 64 5.699 -12.404 -13.026 1.00 1.51 C ATOM 1028 CG ASP A 64 4.296 -13.005 -13.105 1.00 2.23 C ATOM 1029 OD1 ASP A 64 3.986 -13.924 -12.314 1.00 3.20 O ATOM 1030 OD2 ASP A 64 3.468 -12.545 -13.925 1.00 2.81 O ATOM 0 H ASP A 64 5.252 -9.853 -13.071 1.00 1.13 H new ATOM 0 HA ASP A 64 5.413 -11.940 -10.963 1.00 1.22 H new ATOM 0 HB2 ASP A 64 5.923 -11.875 -13.953 1.00 1.51 H new ATOM 0 HB3 ASP A 64 6.434 -13.203 -12.929 1.00 1.51 H new ATOM 1035 N GLN A 65 7.434 -9.907 -10.930 1.00 1.16 N ATOM 1036 CA GLN A 65 8.690 -9.328 -10.521 1.00 1.21 C ATOM 1037 C GLN A 65 8.628 -9.010 -9.034 1.00 1.11 C ATOM 1038 O GLN A 65 7.538 -8.823 -8.497 1.00 1.09 O ATOM 1039 CB GLN A 65 8.848 -8.020 -11.291 1.00 1.31 C ATOM 1040 CG GLN A 65 9.168 -8.237 -12.779 1.00 2.06 C ATOM 1041 CD GLN A 65 9.423 -6.905 -13.473 1.00 2.25 C ATOM 1042 OE1 GLN A 65 8.549 -6.323 -14.092 1.00 2.42 O ATOM 1043 NE2 GLN A 65 10.602 -6.330 -13.363 1.00 3.19 N ATOM 0 H GLN A 65 6.640 -9.297 -10.735 1.00 1.16 H new ATOM 0 HA GLN A 65 9.518 -10.009 -10.715 1.00 1.21 H new ATOM 0 HB2 GLN A 65 7.930 -7.439 -11.203 1.00 1.31 H new ATOM 0 HB3 GLN A 65 9.643 -7.430 -10.836 1.00 1.31 H new ATOM 0 HG2 GLN A 65 10.044 -8.878 -12.878 1.00 2.06 H new ATOM 0 HG3 GLN A 65 8.339 -8.753 -13.263 1.00 2.06 H new ATOM 0 HE21 GLN A 65 11.351 -6.796 -12.850 1.00 3.19 H new ATOM 0 HE22 GLN A 65 10.767 -5.419 -13.791 1.00 3.19 H new ATOM 1052 N GLU A 66 9.785 -8.847 -8.393 1.00 1.10 N ATOM 1053 CA GLU A 66 9.828 -8.298 -7.046 1.00 0.96 C ATOM 1054 C GLU A 66 9.457 -6.804 -7.011 1.00 0.87 C ATOM 1055 O GLU A 66 9.376 -6.138 -8.047 1.00 1.06 O ATOM 1056 CB GLU A 66 11.195 -8.542 -6.389 1.00 0.94 C ATOM 1057 CG GLU A 66 11.527 -10.033 -6.251 1.00 1.16 C ATOM 1058 CD GLU A 66 12.892 -10.229 -5.591 1.00 1.62 C ATOM 1059 OE1 GLU A 66 12.960 -10.030 -4.354 1.00 2.56 O ATOM 1060 OE2 GLU A 66 13.847 -10.549 -6.331 1.00 2.26 O ATOM 0 H GLU A 66 10.696 -9.086 -8.784 1.00 1.10 H new ATOM 0 HA GLU A 66 9.072 -8.828 -6.466 1.00 0.96 H new ATOM 0 HB2 GLU A 66 11.970 -8.055 -6.980 1.00 0.94 H new ATOM 0 HB3 GLU A 66 11.208 -8.078 -5.403 1.00 0.94 H new ATOM 0 HG2 GLU A 66 10.758 -10.528 -5.658 1.00 1.16 H new ATOM 0 HG3 GLU A 66 11.523 -10.503 -7.234 1.00 1.16 H new ATOM 1067 N ILE A 67 9.222 -6.308 -5.798 1.00 0.86 N ATOM 1068 CA ILE A 67 8.928 -4.934 -5.387 1.00 0.76 C ATOM 1069 C ILE A 67 9.697 -4.600 -4.112 1.00 0.66 C ATOM 1070 O ILE A 67 9.769 -5.419 -3.199 1.00 0.79 O ATOM 1071 CB ILE A 67 7.392 -4.751 -5.194 1.00 1.08 C ATOM 1072 CG1 ILE A 67 6.885 -4.096 -6.485 1.00 1.46 C ATOM 1073 CG2 ILE A 67 6.960 -3.976 -3.930 1.00 2.71 C ATOM 1074 CD1 ILE A 67 5.480 -3.526 -6.510 1.00 1.76 C ATOM 0 H ILE A 67 9.234 -6.928 -4.988 1.00 0.86 H new ATOM 0 HA ILE A 67 9.250 -4.243 -6.166 1.00 0.76 H new ATOM 0 HB ILE A 67 6.941 -5.727 -5.017 1.00 1.08 H new ATOM 0 HG12 ILE A 67 7.573 -3.290 -6.739 1.00 1.46 H new ATOM 0 HG13 ILE A 67 6.955 -4.837 -7.281 1.00 1.46 H new ATOM 0 HG21 ILE A 67 5.873 -3.909 -3.898 1.00 2.71 H new ATOM 0 HG22 ILE A 67 7.318 -4.499 -3.043 1.00 2.71 H new ATOM 0 HG23 ILE A 67 7.385 -2.972 -3.956 1.00 2.71 H new ATOM 0 HD11 ILE A 67 5.277 -3.101 -7.493 1.00 1.76 H new ATOM 0 HD12 ILE A 67 4.762 -4.319 -6.303 1.00 1.76 H new ATOM 0 HD13 ILE A 67 5.390 -2.748 -5.752 1.00 1.76 H new ATOM 1086 N ASP A 68 10.214 -3.373 -4.044 1.00 0.72 N ATOM 1087 CA ASP A 68 10.887 -2.797 -2.881 1.00 0.90 C ATOM 1088 C ASP A 68 9.863 -2.153 -1.914 1.00 0.77 C ATOM 1089 O ASP A 68 8.890 -1.522 -2.338 1.00 1.01 O ATOM 1090 CB ASP A 68 11.920 -1.782 -3.419 1.00 1.29 C ATOM 1091 CG ASP A 68 12.859 -1.142 -2.391 1.00 1.24 C ATOM 1092 OD1 ASP A 68 12.379 -0.522 -1.415 1.00 1.95 O ATOM 1093 OD2 ASP A 68 14.093 -1.138 -2.610 1.00 2.55 O ATOM 0 H ASP A 68 10.173 -2.726 -4.832 1.00 0.72 H new ATOM 0 HA ASP A 68 11.397 -3.562 -2.296 1.00 0.90 H new ATOM 0 HB2 ASP A 68 12.530 -2.284 -4.170 1.00 1.29 H new ATOM 0 HB3 ASP A 68 11.379 -0.984 -3.928 1.00 1.29 H new ATOM 1098 N PHE A 69 10.119 -2.251 -0.605 1.00 0.68 N ATOM 1099 CA PHE A 69 9.356 -1.587 0.466 1.00 0.71 C ATOM 1100 C PHE A 69 9.083 -0.075 0.231 1.00 0.72 C ATOM 1101 O PHE A 69 8.128 0.484 0.769 1.00 0.76 O ATOM 1102 CB PHE A 69 10.135 -1.844 1.771 1.00 0.90 C ATOM 1103 CG PHE A 69 9.434 -1.445 3.058 1.00 0.98 C ATOM 1104 CD1 PHE A 69 8.236 -2.080 3.427 1.00 2.32 C ATOM 1105 CD2 PHE A 69 10.001 -0.487 3.919 1.00 1.99 C ATOM 1106 CE1 PHE A 69 7.590 -1.739 4.628 1.00 2.91 C ATOM 1107 CE2 PHE A 69 9.343 -0.123 5.108 1.00 2.60 C ATOM 1108 CZ PHE A 69 8.128 -0.743 5.458 1.00 2.63 C ATOM 0 H PHE A 69 10.890 -2.814 -0.246 1.00 0.68 H new ATOM 0 HA PHE A 69 8.351 -2.008 0.503 1.00 0.71 H new ATOM 0 HB2 PHE A 69 10.373 -2.906 1.825 1.00 0.90 H new ATOM 0 HB3 PHE A 69 11.082 -1.308 1.716 1.00 0.90 H new ATOM 0 HD1 PHE A 69 7.809 -2.835 2.784 1.00 2.32 H new ATOM 0 HD2 PHE A 69 10.946 -0.029 3.666 1.00 1.99 H new ATOM 0 HE1 PHE A 69 6.679 -2.244 4.912 1.00 2.91 H new ATOM 0 HE2 PHE A 69 9.770 0.632 5.752 1.00 2.60 H new ATOM 0 HZ PHE A 69 7.612 -0.453 6.362 1.00 2.63 H new ATOM 1118 N LYS A 70 9.868 0.599 -0.616 1.00 0.76 N ATOM 1119 CA LYS A 70 9.674 1.986 -1.056 1.00 0.77 C ATOM 1120 C LYS A 70 8.484 2.132 -2.006 1.00 0.74 C ATOM 1121 O LYS A 70 7.653 3.022 -1.806 1.00 0.72 O ATOM 1122 CB LYS A 70 10.949 2.416 -1.781 1.00 0.84 C ATOM 1123 CG LYS A 70 12.170 2.546 -0.887 1.00 2.19 C ATOM 1124 CD LYS A 70 13.393 2.637 -1.808 1.00 2.36 C ATOM 1125 CE LYS A 70 14.607 2.253 -0.991 1.00 3.65 C ATOM 1126 NZ LYS A 70 14.742 0.781 -0.859 1.00 4.39 N ATOM 0 H LYS A 70 10.695 0.173 -1.034 1.00 0.76 H new ATOM 0 HA LYS A 70 9.468 2.608 -0.185 1.00 0.77 H new ATOM 0 HB2 LYS A 70 11.166 1.693 -2.567 1.00 0.84 H new ATOM 0 HB3 LYS A 70 10.769 3.374 -2.269 1.00 0.84 H new ATOM 0 HG2 LYS A 70 12.094 3.433 -0.258 1.00 2.19 H new ATOM 0 HG3 LYS A 70 12.253 1.688 -0.220 1.00 2.19 H new ATOM 0 HD2 LYS A 70 13.280 1.970 -2.663 1.00 2.36 H new ATOM 0 HD3 LYS A 70 13.501 3.647 -2.204 1.00 2.36 H new ATOM 0 HE2 LYS A 70 15.503 2.659 -1.460 1.00 3.65 H new ATOM 0 HE3 LYS A 70 14.534 2.701 -0.000 1.00 3.65 H new ATOM 0 HZ1 LYS A 70 15.491 0.561 -0.171 1.00 4.39 H new ATOM 0 HZ2 LYS A 70 13.841 0.378 -0.531 1.00 4.39 H new ATOM 0 HZ3 LYS A 70 14.989 0.371 -1.782 1.00 4.39 H new ATOM 1140 N GLU A 71 8.388 1.246 -3.005 1.00 0.76 N ATOM 1141 CA GLU A 71 7.256 1.188 -3.938 1.00 0.72 C ATOM 1142 C GLU A 71 5.956 0.981 -3.149 1.00 0.65 C ATOM 1143 O GLU A 71 4.929 1.579 -3.452 1.00 0.68 O ATOM 1144 CB GLU A 71 7.441 0.072 -4.988 1.00 0.78 C ATOM 1145 CG GLU A 71 8.821 0.071 -5.663 1.00 1.18 C ATOM 1146 CD GLU A 71 8.918 -0.943 -6.811 1.00 2.34 C ATOM 1147 OE1 GLU A 71 8.251 -0.776 -7.858 1.00 2.38 O ATOM 1148 OE2 GLU A 71 9.667 -1.932 -6.656 1.00 4.17 O ATOM 0 H GLU A 71 9.102 0.542 -3.190 1.00 0.76 H new ATOM 0 HA GLU A 71 7.205 2.133 -4.480 1.00 0.72 H new ATOM 0 HB2 GLU A 71 7.282 -0.894 -4.508 1.00 0.78 H new ATOM 0 HB3 GLU A 71 6.673 0.178 -5.754 1.00 0.78 H new ATOM 0 HG2 GLU A 71 9.034 1.069 -6.046 1.00 1.18 H new ATOM 0 HG3 GLU A 71 9.585 -0.155 -4.919 1.00 1.18 H new ATOM 1155 N TYR A 72 6.029 0.232 -2.045 1.00 0.63 N ATOM 1156 CA TYR A 72 4.877 -0.012 -1.169 1.00 0.54 C ATOM 1157 C TYR A 72 4.490 1.237 -0.362 1.00 0.55 C ATOM 1158 O TYR A 72 3.327 1.643 -0.369 1.00 0.53 O ATOM 1159 CB TYR A 72 5.225 -1.211 -0.274 1.00 0.52 C ATOM 1160 CG TYR A 72 4.330 -1.478 0.926 1.00 0.48 C ATOM 1161 CD1 TYR A 72 2.997 -1.882 0.746 1.00 1.67 C ATOM 1162 CD2 TYR A 72 4.873 -1.436 2.226 1.00 1.57 C ATOM 1163 CE1 TYR A 72 2.238 -2.340 1.839 1.00 1.82 C ATOM 1164 CE2 TYR A 72 4.118 -1.891 3.326 1.00 1.50 C ATOM 1165 CZ TYR A 72 2.810 -2.384 3.128 1.00 0.74 C ATOM 1166 OH TYR A 72 2.101 -2.903 4.163 1.00 0.95 O ATOM 0 H TYR A 72 6.887 -0.222 -1.733 1.00 0.63 H new ATOM 0 HA TYR A 72 3.993 -0.243 -1.764 1.00 0.54 H new ATOM 0 HB2 TYR A 72 5.227 -2.105 -0.897 1.00 0.52 H new ATOM 0 HB3 TYR A 72 6.243 -1.074 0.090 1.00 0.52 H new ATOM 0 HD1 TYR A 72 2.552 -1.841 -0.237 1.00 1.67 H new ATOM 0 HD2 TYR A 72 5.871 -1.054 2.380 1.00 1.57 H new ATOM 0 HE1 TYR A 72 1.217 -2.658 1.691 1.00 1.82 H new ATOM 0 HE2 TYR A 72 4.540 -1.862 4.320 1.00 1.50 H new ATOM 0 HH TYR A 72 2.680 -2.982 4.950 1.00 0.95 H new ATOM 1176 N SER A 73 5.451 1.891 0.296 1.00 0.63 N ATOM 1177 CA SER A 73 5.202 3.101 1.087 1.00 0.67 C ATOM 1178 C SER A 73 4.734 4.288 0.234 1.00 0.69 C ATOM 1179 O SER A 73 3.805 4.981 0.662 1.00 0.70 O ATOM 1180 CB SER A 73 6.425 3.460 1.922 1.00 0.73 C ATOM 1181 OG SER A 73 7.525 3.857 1.130 1.00 1.19 O ATOM 0 H SER A 73 6.427 1.596 0.296 1.00 0.63 H new ATOM 0 HA SER A 73 4.378 2.874 1.763 1.00 0.67 H new ATOM 0 HB2 SER A 73 6.167 4.266 2.610 1.00 0.73 H new ATOM 0 HB3 SER A 73 6.710 2.601 2.530 1.00 0.73 H new ATOM 0 HG SER A 73 8.236 4.204 1.708 1.00 1.19 H new ATOM 1187 N VAL A 74 5.267 4.479 -0.986 1.00 0.70 N ATOM 1188 CA VAL A 74 4.749 5.494 -1.923 1.00 0.71 C ATOM 1189 C VAL A 74 3.401 5.122 -2.531 1.00 0.68 C ATOM 1190 O VAL A 74 2.595 6.025 -2.719 1.00 0.69 O ATOM 1191 CB VAL A 74 5.711 5.891 -3.067 1.00 0.81 C ATOM 1192 CG1 VAL A 74 7.024 6.425 -2.503 1.00 0.89 C ATOM 1193 CG2 VAL A 74 5.945 4.817 -4.133 1.00 0.84 C ATOM 0 H VAL A 74 6.057 3.944 -1.347 1.00 0.70 H new ATOM 0 HA VAL A 74 4.634 6.363 -1.275 1.00 0.71 H new ATOM 0 HB VAL A 74 5.199 6.687 -3.608 1.00 0.81 H new ATOM 0 HG11 VAL A 74 7.688 6.699 -3.323 1.00 0.89 H new ATOM 0 HG12 VAL A 74 6.826 7.303 -1.888 1.00 0.89 H new ATOM 0 HG13 VAL A 74 7.498 5.655 -1.894 1.00 0.89 H new ATOM 0 HG21 VAL A 74 6.634 5.197 -4.887 1.00 0.84 H new ATOM 0 HG22 VAL A 74 6.371 3.929 -3.667 1.00 0.84 H new ATOM 0 HG23 VAL A 74 4.997 4.560 -4.604 1.00 0.84 H new ATOM 1203 N PHE A 75 3.104 3.841 -2.796 1.00 0.66 N ATOM 1204 CA PHE A 75 1.781 3.441 -3.289 1.00 0.63 C ATOM 1205 C PHE A 75 0.723 3.655 -2.206 1.00 0.59 C ATOM 1206 O PHE A 75 -0.331 4.208 -2.506 1.00 0.59 O ATOM 1207 CB PHE A 75 1.809 1.994 -3.801 1.00 0.59 C ATOM 1208 CG PHE A 75 0.618 1.581 -4.653 1.00 0.57 C ATOM 1209 CD1 PHE A 75 -0.639 1.314 -4.077 1.00 1.62 C ATOM 1210 CD2 PHE A 75 0.784 1.412 -6.040 1.00 2.01 C ATOM 1211 CE1 PHE A 75 -1.703 0.854 -4.872 1.00 1.59 C ATOM 1212 CE2 PHE A 75 -0.263 0.910 -6.827 1.00 2.05 C ATOM 1213 CZ PHE A 75 -1.504 0.618 -6.244 1.00 0.65 C ATOM 0 H PHE A 75 3.760 3.069 -2.677 1.00 0.66 H new ATOM 0 HA PHE A 75 1.510 4.072 -4.135 1.00 0.63 H new ATOM 0 HB2 PHE A 75 2.719 1.850 -4.384 1.00 0.59 H new ATOM 0 HB3 PHE A 75 1.871 1.324 -2.943 1.00 0.59 H new ATOM 0 HD1 PHE A 75 -0.786 1.464 -3.018 1.00 1.62 H new ATOM 0 HD2 PHE A 75 1.725 1.671 -6.502 1.00 2.01 H new ATOM 0 HE1 PHE A 75 -2.673 0.682 -4.429 1.00 1.59 H new ATOM 0 HE2 PHE A 75 -0.113 0.748 -7.884 1.00 2.05 H new ATOM 0 HZ PHE A 75 -2.304 0.213 -6.846 1.00 0.65 H new ATOM 1223 N LEU A 76 1.005 3.305 -0.944 1.00 0.58 N ATOM 1224 CA LEU A 76 0.114 3.575 0.195 1.00 0.56 C ATOM 1225 C LEU A 76 -0.080 5.077 0.417 1.00 0.57 C ATOM 1226 O LEU A 76 -1.208 5.537 0.578 1.00 0.58 O ATOM 1227 CB LEU A 76 0.698 2.943 1.468 1.00 0.54 C ATOM 1228 CG LEU A 76 0.670 1.405 1.535 1.00 0.61 C ATOM 1229 CD1 LEU A 76 1.403 1.006 2.820 1.00 1.02 C ATOM 1230 CD2 LEU A 76 -0.755 0.830 1.517 1.00 0.65 C ATOM 0 H LEU A 76 1.865 2.823 -0.682 1.00 0.58 H new ATOM 0 HA LEU A 76 -0.859 3.138 -0.031 1.00 0.56 H new ATOM 0 HB2 LEU A 76 1.732 3.272 1.571 1.00 0.54 H new ATOM 0 HB3 LEU A 76 0.152 3.334 2.327 1.00 0.54 H new ATOM 0 HG LEU A 76 1.156 0.994 0.650 1.00 0.61 H new ATOM 0 HD11 LEU A 76 1.410 -0.080 2.913 1.00 1.02 H new ATOM 0 HD12 LEU A 76 2.429 1.373 2.783 1.00 1.02 H new ATOM 0 HD13 LEU A 76 0.893 1.440 3.680 1.00 1.02 H new ATOM 0 HD21 LEU A 76 -0.709 -0.258 1.566 1.00 0.65 H new ATOM 0 HD22 LEU A 76 -1.311 1.209 2.374 1.00 0.65 H new ATOM 0 HD23 LEU A 76 -1.257 1.131 0.597 1.00 0.65 H new ATOM 1242 N THR A 77 1.013 5.843 0.374 1.00 0.62 N ATOM 1243 CA THR A 77 0.990 7.310 0.441 1.00 0.63 C ATOM 1244 C THR A 77 0.161 7.912 -0.688 1.00 0.64 C ATOM 1245 O THR A 77 -0.593 8.852 -0.468 1.00 0.73 O ATOM 1246 CB THR A 77 2.419 7.836 0.395 1.00 0.66 C ATOM 1247 OG1 THR A 77 3.069 7.429 1.570 1.00 0.69 O ATOM 1248 CG2 THR A 77 2.456 9.356 0.296 1.00 0.74 C ATOM 0 H THR A 77 1.954 5.458 0.290 1.00 0.62 H new ATOM 0 HA THR A 77 0.519 7.607 1.378 1.00 0.63 H new ATOM 0 HB THR A 77 2.915 7.437 -0.489 1.00 0.66 H new ATOM 0 HG1 THR A 77 3.425 6.524 1.450 1.00 0.69 H new ATOM 0 HG21 THR A 77 3.492 9.694 0.266 1.00 0.74 H new ATOM 0 HG22 THR A 77 1.944 9.674 -0.612 1.00 0.74 H new ATOM 0 HG23 THR A 77 1.959 9.789 1.164 1.00 0.74 H new ATOM 1256 N MET A 78 0.299 7.370 -1.898 1.00 0.63 N ATOM 1257 CA MET A 78 -0.450 7.784 -3.082 1.00 0.66 C ATOM 1258 C MET A 78 -1.931 7.448 -2.939 1.00 0.67 C ATOM 1259 O MET A 78 -2.748 8.304 -3.254 1.00 0.73 O ATOM 1260 CB MET A 78 0.198 7.147 -4.320 1.00 0.69 C ATOM 1261 CG MET A 78 -0.521 7.485 -5.625 1.00 1.02 C ATOM 1262 SD MET A 78 0.441 7.167 -7.129 1.00 1.22 S ATOM 1263 CE MET A 78 0.978 5.457 -6.854 1.00 1.27 C ATOM 0 H MET A 78 0.953 6.610 -2.086 1.00 0.63 H new ATOM 0 HA MET A 78 -0.407 8.867 -3.198 1.00 0.66 H new ATOM 0 HB2 MET A 78 1.234 7.478 -4.389 1.00 0.69 H new ATOM 0 HB3 MET A 78 0.217 6.064 -4.194 1.00 0.69 H new ATOM 0 HG2 MET A 78 -1.445 6.909 -5.674 1.00 1.02 H new ATOM 0 HG3 MET A 78 -0.802 8.538 -5.606 1.00 1.02 H new ATOM 0 HE1 MET A 78 1.227 4.996 -7.810 1.00 1.27 H new ATOM 0 HE2 MET A 78 1.856 5.451 -6.208 1.00 1.27 H new ATOM 0 HE3 MET A 78 0.174 4.895 -6.379 1.00 1.27 H new ATOM 1273 N LEU A 79 -2.282 6.268 -2.418 1.00 0.67 N ATOM 1274 CA LEU A 79 -3.666 5.893 -2.111 1.00 0.74 C ATOM 1275 C LEU A 79 -4.276 6.813 -1.054 1.00 0.75 C ATOM 1276 O LEU A 79 -5.345 7.363 -1.294 1.00 0.81 O ATOM 1277 CB LEU A 79 -3.727 4.403 -1.698 1.00 0.85 C ATOM 1278 CG LEU A 79 -4.641 3.541 -2.589 1.00 1.02 C ATOM 1279 CD1 LEU A 79 -4.296 3.641 -4.084 1.00 2.59 C ATOM 1280 CD2 LEU A 79 -4.533 2.079 -2.138 1.00 1.85 C ATOM 0 H LEU A 79 -1.605 5.538 -2.195 1.00 0.67 H new ATOM 0 HA LEU A 79 -4.271 6.019 -3.009 1.00 0.74 H new ATOM 0 HB2 LEU A 79 -2.719 3.989 -1.722 1.00 0.85 H new ATOM 0 HB3 LEU A 79 -4.075 4.337 -0.667 1.00 0.85 H new ATOM 0 HG LEU A 79 -5.658 3.917 -2.475 1.00 1.02 H new ATOM 0 HD11 LEU A 79 -4.976 3.011 -4.657 1.00 2.59 H new ATOM 0 HD12 LEU A 79 -4.397 4.676 -4.412 1.00 2.59 H new ATOM 0 HD13 LEU A 79 -3.271 3.308 -4.244 1.00 2.59 H new ATOM 0 HD21 LEU A 79 -5.176 1.458 -2.761 1.00 1.85 H new ATOM 0 HD22 LEU A 79 -3.500 1.744 -2.234 1.00 1.85 H new ATOM 0 HD23 LEU A 79 -4.846 1.995 -1.097 1.00 1.85 H new ATOM 1292 N CYS A 80 -3.548 7.101 0.024 1.00 0.74 N ATOM 1293 CA CYS A 80 -3.902 8.097 1.045 1.00 0.84 C ATOM 1294 C CYS A 80 -3.905 9.558 0.523 1.00 1.05 C ATOM 1295 O CYS A 80 -4.105 10.488 1.302 1.00 1.98 O ATOM 1296 CB CYS A 80 -2.953 7.890 2.235 1.00 0.88 C ATOM 1297 SG CYS A 80 -3.723 8.476 3.771 1.00 1.08 S ATOM 0 H CYS A 80 -2.663 6.633 0.221 1.00 0.74 H new ATOM 0 HA CYS A 80 -4.935 7.941 1.354 1.00 0.84 H new ATOM 0 HB2 CYS A 80 -2.701 6.834 2.327 1.00 0.88 H new ATOM 0 HB3 CYS A 80 -2.020 8.426 2.061 1.00 0.88 H new ATOM 0 HG CYS A 80 -4.290 9.627 3.561 1.00 1.08 H new ATOM 1303 N MET A 81 -3.657 9.767 -0.774 1.00 0.81 N ATOM 1304 CA MET A 81 -3.829 11.020 -1.518 1.00 0.95 C ATOM 1305 C MET A 81 -4.587 10.846 -2.860 1.00 1.28 C ATOM 1306 O MET A 81 -4.612 11.766 -3.671 1.00 1.88 O ATOM 1307 CB MET A 81 -2.448 11.673 -1.671 1.00 0.91 C ATOM 1308 CG MET A 81 -2.551 13.182 -1.940 1.00 1.93 C ATOM 1309 SD MET A 81 -1.091 14.127 -1.434 1.00 2.97 S ATOM 1310 CE MET A 81 -1.436 14.234 0.338 1.00 3.96 C ATOM 0 H MET A 81 -3.308 9.017 -1.371 1.00 0.81 H new ATOM 0 HA MET A 81 -4.480 11.687 -0.953 1.00 0.95 H new ATOM 0 HB2 MET A 81 -1.865 11.505 -0.765 1.00 0.91 H new ATOM 0 HB3 MET A 81 -1.910 11.195 -2.489 1.00 0.91 H new ATOM 0 HG2 MET A 81 -2.721 13.339 -3.005 1.00 1.93 H new ATOM 0 HG3 MET A 81 -3.423 13.574 -1.417 1.00 1.93 H new ATOM 0 HE1 MET A 81 -0.647 14.804 0.829 1.00 3.96 H new ATOM 0 HE2 MET A 81 -2.393 14.732 0.493 1.00 3.96 H new ATOM 0 HE3 MET A 81 -1.476 13.231 0.762 1.00 3.96 H new ATOM 1320 N ALA A 82 -5.223 9.688 -3.097 1.00 1.09 N ATOM 1321 CA ALA A 82 -6.289 9.470 -4.097 1.00 1.25 C ATOM 1322 C ALA A 82 -7.674 9.933 -3.571 1.00 1.21 C ATOM 1323 O ALA A 82 -8.695 9.850 -4.258 1.00 1.36 O ATOM 1324 CB ALA A 82 -6.300 7.980 -4.464 1.00 1.27 C ATOM 0 H ALA A 82 -5.001 8.839 -2.576 1.00 1.09 H new ATOM 0 HA ALA A 82 -6.086 10.070 -4.984 1.00 1.25 H new ATOM 0 HB1 ALA A 82 -7.080 7.793 -5.202 1.00 1.27 H new ATOM 0 HB2 ALA A 82 -5.332 7.701 -4.880 1.00 1.27 H new ATOM 0 HB3 ALA A 82 -6.496 7.387 -3.571 1.00 1.27 H new ATOM 1330 N TYR A 83 -7.670 10.387 -2.319 1.00 1.17 N ATOM 1331 CA TYR A 83 -8.704 10.900 -1.422 1.00 1.30 C ATOM 1332 C TYR A 83 -7.988 11.505 -0.196 1.00 1.69 C ATOM 1333 O TYR A 83 -6.925 10.988 0.140 1.00 3.53 O ATOM 1334 CB TYR A 83 -9.649 9.759 -0.985 1.00 1.31 C ATOM 1335 CG TYR A 83 -8.996 8.521 -0.369 1.00 1.27 C ATOM 1336 CD1 TYR A 83 -8.730 8.452 1.018 1.00 2.19 C ATOM 1337 CD2 TYR A 83 -8.686 7.408 -1.178 1.00 2.02 C ATOM 1338 CE1 TYR A 83 -8.160 7.296 1.589 1.00 2.24 C ATOM 1339 CE2 TYR A 83 -8.135 6.242 -0.611 1.00 2.14 C ATOM 1340 CZ TYR A 83 -7.861 6.178 0.772 1.00 1.53 C ATOM 1341 OH TYR A 83 -7.327 5.033 1.286 1.00 1.80 O ATOM 0 H TYR A 83 -6.777 10.404 -1.827 1.00 1.17 H new ATOM 0 HA TYR A 83 -9.309 11.655 -1.924 1.00 1.30 H new ATOM 0 HB2 TYR A 83 -10.359 10.163 -0.263 1.00 1.31 H new ATOM 0 HB3 TYR A 83 -10.224 9.442 -1.855 1.00 1.31 H new ATOM 0 HD1 TYR A 83 -8.967 9.296 1.648 1.00 2.19 H new ATOM 0 HD2 TYR A 83 -8.873 7.450 -2.241 1.00 2.02 H new ATOM 0 HE1 TYR A 83 -7.951 7.263 2.648 1.00 2.24 H new ATOM 0 HE2 TYR A 83 -7.921 5.390 -1.240 1.00 2.14 H new ATOM 0 HH TYR A 83 -7.195 4.382 0.566 1.00 1.80 H new ATOM 1351 N ASN A 84 -8.553 12.541 0.450 1.00 1.29 N ATOM 1352 CA ASN A 84 -8.153 13.147 1.748 1.00 1.26 C ATOM 1353 C ASN A 84 -8.658 14.589 1.981 1.00 1.27 C ATOM 1354 O ASN A 84 -7.928 15.494 2.387 1.00 1.59 O ATOM 1355 CB ASN A 84 -6.678 12.955 2.161 1.00 1.42 C ATOM 1356 CG ASN A 84 -5.643 13.582 1.226 1.00 2.93 C ATOM 1357 OD1 ASN A 84 -4.388 13.214 1.387 1.00 4.39 O flip ATOM 1358 ND2 ASN A 84 -5.918 14.408 0.370 1.00 3.21 N flip ATOM 0 H ASN A 84 -9.363 13.018 0.054 1.00 1.29 H new ATOM 0 HA ASN A 84 -8.709 12.527 2.451 1.00 1.26 H new ATOM 0 HB2 ASN A 84 -6.541 13.373 3.158 1.00 1.42 H new ATOM 0 HB3 ASN A 84 -6.476 11.886 2.233 1.00 1.42 H new ATOM 0 HD21 ASN A 84 -6.886 14.701 0.236 1.00 3.21 H new ATOM 0 HD22 ASN A 84 -5.180 14.805 -0.211 1.00 3.21 H new ATOM 1365 N ASP A 85 -9.971 14.737 1.843 1.00 1.46 N ATOM 1366 CA ASP A 85 -10.782 15.943 2.021 1.00 1.64 C ATOM 1367 C ASP A 85 -10.512 16.663 3.356 1.00 1.71 C ATOM 1368 O ASP A 85 -10.506 17.889 3.423 1.00 1.87 O ATOM 1369 CB ASP A 85 -12.273 15.517 1.965 1.00 2.63 C ATOM 1370 CG ASP A 85 -12.640 14.425 0.936 1.00 3.14 C ATOM 1371 OD1 ASP A 85 -12.092 13.298 1.049 1.00 3.85 O ATOM 1372 OD2 ASP A 85 -13.492 14.696 0.063 1.00 4.00 O ATOM 0 H ASP A 85 -10.552 13.942 1.579 1.00 1.46 H new ATOM 0 HA ASP A 85 -10.523 16.647 1.230 1.00 1.64 H new ATOM 0 HB2 ASP A 85 -12.565 15.165 2.955 1.00 2.63 H new ATOM 0 HB3 ASP A 85 -12.873 16.402 1.752 1.00 2.63 H new ATOM 1377 N PHE A 86 -10.223 15.901 4.419 1.00 2.07 N ATOM 1378 CA PHE A 86 -9.884 16.408 5.754 1.00 2.69 C ATOM 1379 C PHE A 86 -8.663 17.345 5.778 1.00 2.70 C ATOM 1380 O PHE A 86 -8.487 18.101 6.737 1.00 3.40 O ATOM 1381 CB PHE A 86 -9.610 15.207 6.679 1.00 3.27 C ATOM 1382 CG PHE A 86 -10.698 14.151 6.712 1.00 3.41 C ATOM 1383 CD1 PHE A 86 -11.935 14.431 7.323 1.00 3.87 C ATOM 1384 CD2 PHE A 86 -10.476 12.885 6.129 1.00 3.94 C ATOM 1385 CE1 PHE A 86 -12.946 13.454 7.346 1.00 4.35 C ATOM 1386 CE2 PHE A 86 -11.491 11.910 6.153 1.00 4.59 C ATOM 1387 CZ PHE A 86 -12.725 12.194 6.762 1.00 4.60 C ATOM 0 H PHE A 86 -10.219 14.882 4.371 1.00 2.07 H new ATOM 0 HA PHE A 86 -10.734 17.001 6.091 1.00 2.69 H new ATOM 0 HB2 PHE A 86 -8.678 14.735 6.367 1.00 3.27 H new ATOM 0 HB3 PHE A 86 -9.456 15.578 7.692 1.00 3.27 H new ATOM 0 HD1 PHE A 86 -12.108 15.397 7.774 1.00 3.87 H new ATOM 0 HD2 PHE A 86 -9.527 12.664 5.664 1.00 3.94 H new ATOM 0 HE1 PHE A 86 -13.895 13.672 7.813 1.00 4.35 H new ATOM 0 HE2 PHE A 86 -11.321 10.943 5.703 1.00 4.59 H new ATOM 0 HZ PHE A 86 -13.503 11.445 6.782 1.00 4.60 H new ATOM 1397 N PHE A 87 -7.784 17.266 4.774 1.00 2.21 N ATOM 1398 CA PHE A 87 -6.565 18.078 4.685 1.00 2.61 C ATOM 1399 C PHE A 87 -6.725 19.270 3.731 1.00 2.50 C ATOM 1400 O PHE A 87 -5.803 20.066 3.570 1.00 3.01 O ATOM 1401 CB PHE A 87 -5.367 17.174 4.368 1.00 2.73 C ATOM 1402 CG PHE A 87 -5.260 15.963 5.283 1.00 2.75 C ATOM 1403 CD1 PHE A 87 -5.587 16.048 6.654 1.00 3.38 C ATOM 1404 CD2 PHE A 87 -4.932 14.713 4.733 1.00 3.05 C ATOM 1405 CE1 PHE A 87 -5.695 14.881 7.429 1.00 3.82 C ATOM 1406 CE2 PHE A 87 -5.035 13.546 5.509 1.00 3.35 C ATOM 1407 CZ PHE A 87 -5.455 13.629 6.846 1.00 3.57 C ATOM 0 H PHE A 87 -7.901 16.626 3.988 1.00 2.21 H new ATOM 0 HA PHE A 87 -6.371 18.540 5.653 1.00 2.61 H new ATOM 0 HB2 PHE A 87 -5.443 16.833 3.335 1.00 2.73 H new ATOM 0 HB3 PHE A 87 -4.450 17.759 4.444 1.00 2.73 H new ATOM 0 HD1 PHE A 87 -5.755 17.013 7.108 1.00 3.38 H new ATOM 0 HD2 PHE A 87 -4.599 14.648 3.708 1.00 3.05 H new ATOM 0 HE1 PHE A 87 -5.963 14.949 8.473 1.00 3.82 H new ATOM 0 HE2 PHE A 87 -4.791 12.586 5.077 1.00 3.35 H new ATOM 0 HZ PHE A 87 -5.593 12.728 7.425 1.00 3.57 H new ATOM 1417 N LEU A 88 -7.916 19.447 3.160 1.00 1.95 N ATOM 1418 CA LEU A 88 -8.332 20.632 2.427 1.00 1.84 C ATOM 1419 C LEU A 88 -9.211 21.535 3.303 1.00 2.08 C ATOM 1420 O LEU A 88 -9.718 21.140 4.356 1.00 2.47 O ATOM 1421 CB LEU A 88 -9.047 20.147 1.154 1.00 1.56 C ATOM 1422 CG LEU A 88 -8.121 19.797 -0.026 1.00 2.35 C ATOM 1423 CD1 LEU A 88 -7.344 21.028 -0.531 1.00 2.87 C ATOM 1424 CD2 LEU A 88 -7.109 18.676 0.274 1.00 2.96 C ATOM 0 H LEU A 88 -8.645 18.735 3.200 1.00 1.95 H new ATOM 0 HA LEU A 88 -7.478 21.248 2.146 1.00 1.84 H new ATOM 0 HB2 LEU A 88 -9.640 19.267 1.403 1.00 1.56 H new ATOM 0 HB3 LEU A 88 -9.744 20.920 0.831 1.00 1.56 H new ATOM 0 HG LEU A 88 -8.802 19.435 -0.796 1.00 2.35 H new ATOM 0 HD11 LEU A 88 -6.703 20.737 -1.363 1.00 2.87 H new ATOM 0 HD12 LEU A 88 -8.048 21.791 -0.864 1.00 2.87 H new ATOM 0 HD13 LEU A 88 -6.731 21.428 0.277 1.00 2.87 H new ATOM 0 HD21 LEU A 88 -6.497 18.492 -0.609 1.00 2.96 H new ATOM 0 HD22 LEU A 88 -6.469 18.976 1.103 1.00 2.96 H new ATOM 0 HD23 LEU A 88 -7.644 17.764 0.540 1.00 2.96 H new ATOM 1517 N GLU B 2 -10.868 1.446 9.088 1.00 2.21 N ATOM 1518 CA GLU B 2 -11.355 0.221 9.736 1.00 1.84 C ATOM 1519 C GLU B 2 -10.321 -0.898 9.723 1.00 1.68 C ATOM 1520 O GLU B 2 -10.183 -1.647 10.691 1.00 1.93 O ATOM 1521 CB GLU B 2 -12.586 -0.238 8.945 1.00 3.06 C ATOM 1522 CG GLU B 2 -13.836 0.623 9.169 1.00 3.91 C ATOM 1523 CD GLU B 2 -13.573 2.128 9.255 1.00 4.31 C ATOM 1524 OE1 GLU B 2 -13.146 2.717 8.236 1.00 5.18 O ATOM 1525 OE2 GLU B 2 -13.455 2.674 10.371 1.00 4.39 O ATOM 0 HA GLU B 2 -11.579 0.437 10.781 1.00 1.84 H new ATOM 0 HB2 GLU B 2 -12.343 -0.235 7.883 1.00 3.06 H new ATOM 0 HB3 GLU B 2 -12.815 -1.268 9.217 1.00 3.06 H new ATOM 0 HG2 GLU B 2 -14.538 0.437 8.356 1.00 3.91 H new ATOM 0 HG3 GLU B 2 -14.322 0.300 10.090 1.00 3.91 H new ATOM 1532 N THR B 3 -9.547 -0.959 8.647 1.00 1.68 N ATOM 1533 CA THR B 3 -8.635 -2.073 8.334 1.00 1.70 C ATOM 1534 C THR B 3 -7.257 -1.854 8.986 1.00 1.58 C ATOM 1535 O THR B 3 -7.016 -0.747 9.486 1.00 1.43 O ATOM 1536 CB THR B 3 -8.572 -2.269 6.818 1.00 1.82 C ATOM 1537 OG1 THR B 3 -7.943 -1.145 6.274 1.00 1.87 O ATOM 1538 CG2 THR B 3 -9.943 -2.449 6.172 1.00 2.16 C ATOM 0 H THR B 3 -9.529 -0.220 7.944 1.00 1.68 H new ATOM 0 HA THR B 3 -9.017 -3.000 8.762 1.00 1.70 H new ATOM 0 HB THR B 3 -8.020 -3.187 6.617 1.00 1.82 H new ATOM 0 HG1 THR B 3 -6.999 -1.347 6.107 1.00 1.87 H new ATOM 0 HG21 THR B 3 -9.824 -2.583 5.097 1.00 2.16 H new ATOM 0 HG22 THR B 3 -10.432 -3.327 6.595 1.00 2.16 H new ATOM 0 HG23 THR B 3 -10.554 -1.566 6.362 1.00 2.16 H new ATOM 1546 N PRO B 4 -6.371 -2.871 9.088 1.00 1.71 N ATOM 1547 CA PRO B 4 -5.212 -2.785 9.976 1.00 1.65 C ATOM 1548 C PRO B 4 -4.066 -1.932 9.423 1.00 1.34 C ATOM 1549 O PRO B 4 -3.491 -1.156 10.182 1.00 1.34 O ATOM 1550 CB PRO B 4 -4.773 -4.230 10.229 1.00 1.93 C ATOM 1551 CG PRO B 4 -5.240 -4.975 8.978 1.00 2.03 C ATOM 1552 CD PRO B 4 -6.529 -4.240 8.607 1.00 1.98 C ATOM 0 HA PRO B 4 -5.490 -2.274 10.897 1.00 1.65 H new ATOM 0 HB2 PRO B 4 -3.693 -4.304 10.359 1.00 1.93 H new ATOM 0 HB3 PRO B 4 -5.231 -4.636 11.131 1.00 1.93 H new ATOM 0 HG2 PRO B 4 -4.501 -4.925 8.178 1.00 2.03 H new ATOM 0 HG3 PRO B 4 -5.420 -6.031 9.180 1.00 2.03 H new ATOM 0 HD2 PRO B 4 -6.690 -4.258 7.529 1.00 1.98 H new ATOM 0 HD3 PRO B 4 -7.395 -4.717 9.067 1.00 1.98 H new ATOM 1560 N LEU B 5 -3.744 -2.004 8.124 1.00 1.17 N ATOM 1561 CA LEU B 5 -2.675 -1.178 7.541 1.00 0.93 C ATOM 1562 C LEU B 5 -3.075 0.300 7.448 1.00 0.80 C ATOM 1563 O LEU B 5 -2.228 1.172 7.611 1.00 0.80 O ATOM 1564 CB LEU B 5 -2.284 -1.781 6.184 1.00 0.97 C ATOM 1565 CG LEU B 5 -1.255 -1.009 5.343 1.00 1.00 C ATOM 1566 CD1 LEU B 5 0.068 -0.779 6.089 1.00 1.44 C ATOM 1567 CD2 LEU B 5 -1.019 -1.841 4.074 1.00 1.72 C ATOM 0 H LEU B 5 -4.206 -2.623 7.458 1.00 1.17 H new ATOM 0 HA LEU B 5 -1.802 -1.189 8.194 1.00 0.93 H new ATOM 0 HB2 LEU B 5 -1.893 -2.783 6.360 1.00 0.97 H new ATOM 0 HB3 LEU B 5 -3.191 -1.892 5.590 1.00 0.97 H new ATOM 0 HG LEU B 5 -1.639 -0.015 5.114 1.00 1.00 H new ATOM 0 HD11 LEU B 5 0.757 -0.229 5.447 1.00 1.44 H new ATOM 0 HD12 LEU B 5 -0.121 -0.204 6.995 1.00 1.44 H new ATOM 0 HD13 LEU B 5 0.508 -1.740 6.354 1.00 1.44 H new ATOM 0 HD21 LEU B 5 -0.292 -1.336 3.438 1.00 1.72 H new ATOM 0 HD22 LEU B 5 -0.638 -2.825 4.349 1.00 1.72 H new ATOM 0 HD23 LEU B 5 -1.959 -1.954 3.533 1.00 1.72 H new ATOM 1579 N GLU B 6 -4.366 0.589 7.289 1.00 0.85 N ATOM 1580 CA GLU B 6 -4.910 1.951 7.331 1.00 0.90 C ATOM 1581 C GLU B 6 -4.609 2.645 8.679 1.00 0.87 C ATOM 1582 O GLU B 6 -4.394 3.852 8.738 1.00 0.89 O ATOM 1583 CB GLU B 6 -6.416 1.895 7.023 1.00 1.15 C ATOM 1584 CG GLU B 6 -7.041 3.275 6.790 1.00 1.87 C ATOM 1585 CD GLU B 6 -6.501 3.964 5.547 1.00 3.29 C ATOM 1586 OE1 GLU B 6 -6.854 3.521 4.434 1.00 4.26 O ATOM 1587 OE2 GLU B 6 -5.752 4.945 5.738 1.00 4.12 O ATOM 0 H GLU B 6 -5.076 -0.125 7.125 1.00 0.85 H new ATOM 0 HA GLU B 6 -4.421 2.560 6.571 1.00 0.90 H new ATOM 0 HB2 GLU B 6 -6.576 1.278 6.139 1.00 1.15 H new ATOM 0 HB3 GLU B 6 -6.931 1.406 7.850 1.00 1.15 H new ATOM 0 HG2 GLU B 6 -8.122 3.169 6.700 1.00 1.87 H new ATOM 0 HG3 GLU B 6 -6.854 3.905 7.659 1.00 1.87 H new ATOM 1594 N LYS B 7 -4.496 1.893 9.785 1.00 0.93 N ATOM 1595 CA LYS B 7 -3.963 2.433 11.057 1.00 0.98 C ATOM 1596 C LYS B 7 -2.556 3.072 10.940 1.00 0.95 C ATOM 1597 O LYS B 7 -2.251 4.018 11.673 1.00 1.06 O ATOM 1598 CB LYS B 7 -3.944 1.346 12.148 1.00 1.18 C ATOM 1599 CG LYS B 7 -5.232 0.545 12.311 1.00 1.78 C ATOM 1600 CD LYS B 7 -6.416 1.455 12.632 1.00 2.10 C ATOM 1601 CE LYS B 7 -7.573 0.562 13.059 1.00 3.45 C ATOM 1602 NZ LYS B 7 -8.276 0.009 11.881 1.00 4.58 N ATOM 0 H LYS B 7 -4.765 0.910 9.830 1.00 0.93 H new ATOM 0 HA LYS B 7 -4.647 3.236 11.333 1.00 0.98 H new ATOM 0 HB2 LYS B 7 -3.132 0.652 11.929 1.00 1.18 H new ATOM 0 HB3 LYS B 7 -3.710 1.819 13.102 1.00 1.18 H new ATOM 0 HG2 LYS B 7 -5.435 -0.010 11.395 1.00 1.78 H new ATOM 0 HG3 LYS B 7 -5.108 -0.188 13.108 1.00 1.78 H new ATOM 0 HD2 LYS B 7 -6.158 2.155 13.427 1.00 2.10 H new ATOM 0 HD3 LYS B 7 -6.691 2.049 11.761 1.00 2.10 H new ATOM 0 HE2 LYS B 7 -7.199 -0.252 13.680 1.00 3.45 H new ATOM 0 HE3 LYS B 7 -8.272 1.133 13.670 1.00 3.45 H new ATOM 0 HZ1 LYS B 7 -8.790 -0.852 12.156 1.00 4.58 H new ATOM 0 HZ2 LYS B 7 -8.949 0.713 11.516 1.00 4.58 H new ATOM 0 HZ3 LYS B 7 -7.583 -0.223 11.141 1.00 4.58 H new ATOM 1616 N ALA B 8 -1.708 2.603 10.017 1.00 0.88 N ATOM 1617 CA ALA B 8 -0.384 3.179 9.771 1.00 0.81 C ATOM 1618 C ALA B 8 -0.465 4.536 9.060 1.00 0.66 C ATOM 1619 O ALA B 8 0.141 5.505 9.510 1.00 0.64 O ATOM 1620 CB ALA B 8 0.450 2.191 8.945 1.00 0.92 C ATOM 0 H ALA B 8 -1.924 1.807 9.416 1.00 0.88 H new ATOM 0 HA ALA B 8 0.094 3.355 10.735 1.00 0.81 H new ATOM 0 HB1 ALA B 8 1.437 2.615 8.759 1.00 0.92 H new ATOM 0 HB2 ALA B 8 0.555 1.255 9.494 1.00 0.92 H new ATOM 0 HB3 ALA B 8 -0.048 2.000 7.994 1.00 0.92 H new ATOM 1626 N LEU B 9 -1.265 4.620 7.993 1.00 0.62 N ATOM 1627 CA LEU B 9 -1.582 5.874 7.307 1.00 0.56 C ATOM 1628 C LEU B 9 -2.242 6.863 8.278 1.00 0.50 C ATOM 1629 O LEU B 9 -1.808 8.012 8.339 1.00 0.49 O ATOM 1630 CB LEU B 9 -2.495 5.606 6.098 1.00 0.59 C ATOM 1631 CG LEU B 9 -1.874 4.966 4.840 1.00 0.58 C ATOM 1632 CD1 LEU B 9 -0.660 5.757 4.324 1.00 0.64 C ATOM 1633 CD2 LEU B 9 -1.496 3.491 5.053 1.00 0.73 C ATOM 0 H LEU B 9 -1.717 3.806 7.576 1.00 0.62 H new ATOM 0 HA LEU B 9 -0.655 6.318 6.945 1.00 0.56 H new ATOM 0 HB2 LEU B 9 -3.308 4.961 6.432 1.00 0.59 H new ATOM 0 HB3 LEU B 9 -2.942 6.555 5.802 1.00 0.59 H new ATOM 0 HG LEU B 9 -2.653 5.003 4.078 1.00 0.58 H new ATOM 0 HD11 LEU B 9 -0.257 5.268 3.437 1.00 0.64 H new ATOM 0 HD12 LEU B 9 -0.968 6.771 4.070 1.00 0.64 H new ATOM 0 HD13 LEU B 9 0.106 5.793 5.098 1.00 0.64 H new ATOM 0 HD21 LEU B 9 -1.064 3.090 4.136 1.00 0.73 H new ATOM 0 HD22 LEU B 9 -0.768 3.415 5.861 1.00 0.73 H new ATOM 0 HD23 LEU B 9 -2.388 2.921 5.313 1.00 0.73 H new ATOM 1645 N THR B 10 -3.202 6.401 9.096 1.00 0.54 N ATOM 1646 CA THR B 10 -3.855 7.163 10.179 1.00 0.59 C ATOM 1647 C THR B 10 -2.832 7.775 11.145 1.00 0.60 C ATOM 1648 O THR B 10 -2.954 8.951 11.499 1.00 0.71 O ATOM 1649 CB THR B 10 -4.840 6.268 10.941 1.00 0.80 C ATOM 1650 OG1 THR B 10 -5.817 5.768 10.060 1.00 1.12 O ATOM 1651 CG2 THR B 10 -5.569 7.034 12.043 1.00 1.18 C ATOM 0 H THR B 10 -3.560 5.449 9.020 1.00 0.54 H new ATOM 0 HA THR B 10 -4.402 7.985 9.718 1.00 0.59 H new ATOM 0 HB THR B 10 -4.255 5.462 11.384 1.00 0.80 H new ATOM 0 HG1 THR B 10 -5.437 5.034 9.533 1.00 1.12 H new ATOM 0 HG21 THR B 10 -6.257 6.364 12.558 1.00 1.18 H new ATOM 0 HG22 THR B 10 -4.843 7.426 12.755 1.00 1.18 H new ATOM 0 HG23 THR B 10 -6.128 7.860 11.603 1.00 1.18 H new ATOM 1659 N THR B 11 -1.809 7.007 11.544 1.00 0.60 N ATOM 1660 CA THR B 11 -0.693 7.482 12.376 1.00 0.63 C ATOM 1661 C THR B 11 0.105 8.555 11.639 1.00 0.57 C ATOM 1662 O THR B 11 0.355 9.621 12.204 1.00 0.60 O ATOM 1663 CB THR B 11 0.233 6.322 12.774 1.00 0.74 C ATOM 1664 OG1 THR B 11 -0.469 5.385 13.553 1.00 0.87 O ATOM 1665 CG2 THR B 11 1.425 6.789 13.603 1.00 0.85 C ATOM 0 H THR B 11 -1.732 6.021 11.294 1.00 0.60 H new ATOM 0 HA THR B 11 -1.115 7.913 13.284 1.00 0.63 H new ATOM 0 HB THR B 11 0.589 5.883 11.842 1.00 0.74 H new ATOM 0 HG1 THR B 11 -1.092 4.887 12.983 1.00 0.87 H new ATOM 0 HG21 THR B 11 2.048 5.932 13.859 1.00 0.85 H new ATOM 0 HG22 THR B 11 2.011 7.505 13.027 1.00 0.85 H new ATOM 0 HG23 THR B 11 1.069 7.264 14.517 1.00 0.85 H new ATOM 1673 N MET B 12 0.476 8.289 10.382 1.00 0.54 N ATOM 1674 CA MET B 12 1.261 9.220 9.553 1.00 0.54 C ATOM 1675 C MET B 12 0.516 10.533 9.324 1.00 0.58 C ATOM 1676 O MET B 12 1.090 11.591 9.526 1.00 0.68 O ATOM 1677 CB MET B 12 1.641 8.604 8.196 1.00 0.56 C ATOM 1678 CG MET B 12 2.688 7.508 8.343 1.00 0.68 C ATOM 1679 SD MET B 12 3.213 6.794 6.762 1.00 0.87 S ATOM 1680 CE MET B 12 4.999 6.734 7.044 1.00 0.78 C ATOM 0 H MET B 12 0.241 7.418 9.906 1.00 0.54 H new ATOM 0 HA MET B 12 2.176 9.424 10.109 1.00 0.54 H new ATOM 0 HB2 MET B 12 0.750 8.193 7.721 1.00 0.56 H new ATOM 0 HB3 MET B 12 2.022 9.384 7.537 1.00 0.56 H new ATOM 0 HG2 MET B 12 3.559 7.915 8.856 1.00 0.68 H new ATOM 0 HG3 MET B 12 2.287 6.716 8.975 1.00 0.68 H new ATOM 0 HE1 MET B 12 5.514 6.611 6.091 1.00 0.78 H new ATOM 0 HE2 MET B 12 5.324 7.661 7.515 1.00 0.78 H new ATOM 0 HE3 MET B 12 5.236 5.893 7.696 1.00 0.78 H new ATOM 1690 N VAL B 13 -0.772 10.493 8.966 1.00 0.57 N ATOM 1691 CA VAL B 13 -1.537 11.725 8.718 1.00 0.63 C ATOM 1692 C VAL B 13 -1.706 12.562 9.994 1.00 0.63 C ATOM 1693 O VAL B 13 -1.649 13.788 9.917 1.00 0.68 O ATOM 1694 CB VAL B 13 -2.901 11.502 8.022 1.00 0.71 C ATOM 1695 CG1 VAL B 13 -2.750 10.889 6.621 1.00 0.76 C ATOM 1696 CG2 VAL B 13 -3.899 10.689 8.857 1.00 0.72 C ATOM 0 H VAL B 13 -1.304 9.632 8.842 1.00 0.57 H new ATOM 0 HA VAL B 13 -0.929 12.287 8.009 1.00 0.63 H new ATOM 0 HB VAL B 13 -3.321 12.502 7.917 1.00 0.71 H new ATOM 0 HG11 VAL B 13 -3.735 10.753 6.175 1.00 0.76 H new ATOM 0 HG12 VAL B 13 -2.157 11.555 5.994 1.00 0.76 H new ATOM 0 HG13 VAL B 13 -2.250 9.924 6.698 1.00 0.76 H new ATOM 0 HG21 VAL B 13 -4.830 10.575 8.302 1.00 0.72 H new ATOM 0 HG22 VAL B 13 -3.480 9.705 9.068 1.00 0.72 H new ATOM 0 HG23 VAL B 13 -4.097 11.208 9.795 1.00 0.72 H new ATOM 1706 N THR B 14 -1.834 11.927 11.168 1.00 0.60 N ATOM 1707 CA THR B 14 -1.948 12.617 12.468 1.00 0.64 C ATOM 1708 C THR B 14 -0.647 13.325 12.847 1.00 0.63 C ATOM 1709 O THR B 14 -0.702 14.475 13.290 1.00 0.77 O ATOM 1710 CB THR B 14 -2.386 11.634 13.562 1.00 0.67 C ATOM 1711 OG1 THR B 14 -3.613 11.064 13.184 1.00 0.90 O ATOM 1712 CG2 THR B 14 -2.617 12.321 14.907 1.00 0.94 C ATOM 0 H THR B 14 -1.862 10.910 11.246 1.00 0.60 H new ATOM 0 HA THR B 14 -2.714 13.386 12.372 1.00 0.64 H new ATOM 0 HB THR B 14 -1.590 10.897 13.671 1.00 0.67 H new ATOM 0 HG1 THR B 14 -3.452 10.317 12.570 1.00 0.90 H new ATOM 0 HG21 THR B 14 -2.925 11.581 15.645 1.00 0.94 H new ATOM 0 HG22 THR B 14 -1.694 12.798 15.235 1.00 0.94 H new ATOM 0 HG23 THR B 14 -3.397 13.075 14.801 1.00 0.94 H new ATOM 1720 N THR B 15 0.503 12.671 12.644 1.00 0.59 N ATOM 1721 CA THR B 15 1.842 13.231 12.902 1.00 0.62 C ATOM 1722 C THR B 15 2.170 14.312 11.886 1.00 0.62 C ATOM 1723 O THR B 15 2.356 15.452 12.302 1.00 0.74 O ATOM 1724 CB THR B 15 2.938 12.150 12.904 1.00 0.67 C ATOM 1725 OG1 THR B 15 2.665 11.144 11.961 1.00 1.44 O ATOM 1726 CG2 THR B 15 3.078 11.473 14.265 1.00 1.14 C ATOM 0 H THR B 15 0.533 11.716 12.288 1.00 0.59 H new ATOM 0 HA THR B 15 1.819 13.670 13.899 1.00 0.62 H new ATOM 0 HB THR B 15 3.863 12.669 12.655 1.00 0.67 H new ATOM 0 HG1 THR B 15 2.138 11.520 11.225 1.00 1.44 H new ATOM 0 HG21 THR B 15 3.863 10.718 14.217 1.00 1.14 H new ATOM 0 HG22 THR B 15 3.337 12.218 15.017 1.00 1.14 H new ATOM 0 HG23 THR B 15 2.134 10.998 14.534 1.00 1.14 H new ATOM 1734 N PHE B 16 2.160 13.995 10.589 1.00 0.61 N ATOM 1735 CA PHE B 16 2.459 14.924 9.496 1.00 0.64 C ATOM 1736 C PHE B 16 1.604 16.202 9.566 1.00 0.65 C ATOM 1737 O PHE B 16 2.139 17.304 9.441 1.00 0.71 O ATOM 1738 CB PHE B 16 2.274 14.181 8.160 1.00 0.68 C ATOM 1739 CG PHE B 16 2.606 14.988 6.920 1.00 0.69 C ATOM 1740 CD1 PHE B 16 1.637 15.837 6.356 1.00 1.49 C ATOM 1741 CD2 PHE B 16 3.876 14.898 6.320 1.00 1.84 C ATOM 1742 CE1 PHE B 16 1.944 16.594 5.216 1.00 1.50 C ATOM 1743 CE2 PHE B 16 4.166 15.629 5.150 1.00 1.84 C ATOM 1744 CZ PHE B 16 3.198 16.482 4.594 1.00 0.70 C ATOM 0 H PHE B 16 1.937 13.056 10.260 1.00 0.61 H new ATOM 0 HA PHE B 16 3.492 15.260 9.585 1.00 0.64 H new ATOM 0 HB2 PHE B 16 2.898 13.288 8.170 1.00 0.68 H new ATOM 0 HB3 PHE B 16 1.239 13.846 8.089 1.00 0.68 H new ATOM 0 HD1 PHE B 16 0.655 15.906 6.801 1.00 1.49 H new ATOM 0 HD2 PHE B 16 4.633 14.265 6.759 1.00 1.84 H new ATOM 0 HE1 PHE B 16 1.207 17.272 4.811 1.00 1.50 H new ATOM 0 HE2 PHE B 16 5.134 15.533 4.680 1.00 1.84 H new ATOM 0 HZ PHE B 16 3.416 17.045 3.699 1.00 0.70 H new ATOM 1754 N HIS B 17 0.301 16.086 9.851 1.00 0.63 N ATOM 1755 CA HIS B 17 -0.577 17.253 9.988 1.00 0.65 C ATOM 1756 C HIS B 17 -0.057 18.315 10.980 1.00 0.71 C ATOM 1757 O HIS B 17 -0.040 19.496 10.634 1.00 1.12 O ATOM 1758 CB HIS B 17 -1.992 16.799 10.367 1.00 0.67 C ATOM 1759 CG HIS B 17 -2.922 17.956 10.630 1.00 1.13 C ATOM 1760 ND1 HIS B 17 -3.606 18.211 11.798 1.00 2.09 N ATOM 1761 CD2 HIS B 17 -3.151 19.016 9.792 1.00 1.50 C ATOM 1762 CE1 HIS B 17 -4.226 19.395 11.663 1.00 2.55 C ATOM 1763 NE2 HIS B 17 -3.978 19.924 10.454 1.00 2.20 N ATOM 0 H HIS B 17 -0.169 15.192 9.992 1.00 0.63 H new ATOM 0 HA HIS B 17 -0.593 17.746 9.016 1.00 0.65 H new ATOM 0 HB2 HIS B 17 -2.400 16.185 9.564 1.00 0.67 H new ATOM 0 HB3 HIS B 17 -1.942 16.169 11.255 1.00 0.67 H new ATOM 0 HD2 HIS B 17 -2.759 19.129 8.792 1.00 1.50 H new ATOM 0 HE1 HIS B 17 -4.839 19.858 12.422 1.00 2.55 H new ATOM 0 HE2 HIS B 17 -4.325 20.812 10.092 1.00 2.20 H new ATOM 1772 N LYS B 18 0.443 17.946 12.168 1.00 0.57 N ATOM 1773 CA LYS B 18 0.978 18.907 13.160 1.00 0.67 C ATOM 1774 C LYS B 18 2.007 19.867 12.531 1.00 0.77 C ATOM 1775 O LYS B 18 2.073 21.056 12.851 1.00 1.18 O ATOM 1776 CB LYS B 18 1.625 18.086 14.300 1.00 0.76 C ATOM 1777 CG LYS B 18 1.989 18.773 15.634 1.00 1.63 C ATOM 1778 CD LYS B 18 2.801 20.093 15.646 1.00 3.19 C ATOM 1779 CE LYS B 18 4.145 20.032 14.895 1.00 4.64 C ATOM 1780 NZ LYS B 18 4.685 21.377 14.539 1.00 6.35 N ATOM 0 H LYS B 18 0.491 16.974 12.474 1.00 0.57 H new ATOM 0 HA LYS B 18 0.168 19.529 13.541 1.00 0.67 H new ATOM 0 HB2 LYS B 18 0.948 17.264 14.533 1.00 0.76 H new ATOM 0 HB3 LYS B 18 2.539 17.644 13.903 1.00 0.76 H new ATOM 0 HG2 LYS B 18 1.055 18.966 16.161 1.00 1.63 H new ATOM 0 HG3 LYS B 18 2.546 18.048 16.227 1.00 1.63 H new ATOM 0 HD2 LYS B 18 2.191 20.882 15.207 1.00 3.19 H new ATOM 0 HD3 LYS B 18 2.992 20.376 16.681 1.00 3.19 H new ATOM 0 HE2 LYS B 18 4.874 19.507 15.512 1.00 4.64 H new ATOM 0 HE3 LYS B 18 4.018 19.447 13.984 1.00 4.64 H new ATOM 0 HZ1 LYS B 18 5.515 21.266 13.922 1.00 6.35 H new ATOM 0 HZ2 LYS B 18 3.954 21.924 14.041 1.00 6.35 H new ATOM 0 HZ3 LYS B 18 4.963 21.880 15.406 1.00 6.35 H new ATOM 1794 N TYR B 19 2.856 19.344 11.653 1.00 0.75 N ATOM 1795 CA TYR B 19 3.982 20.047 11.038 1.00 0.94 C ATOM 1796 C TYR B 19 3.612 20.728 9.708 1.00 1.06 C ATOM 1797 O TYR B 19 4.345 21.591 9.240 1.00 1.76 O ATOM 1798 CB TYR B 19 5.145 19.056 10.936 1.00 0.99 C ATOM 1799 CG TYR B 19 5.564 18.490 12.283 1.00 0.91 C ATOM 1800 CD1 TYR B 19 4.868 17.386 12.783 1.00 2.27 C ATOM 1801 CD2 TYR B 19 6.585 19.056 13.064 1.00 1.64 C ATOM 1802 CE1 TYR B 19 5.186 16.810 14.023 1.00 2.38 C ATOM 1803 CE2 TYR B 19 6.892 18.519 14.330 1.00 1.57 C ATOM 1804 CZ TYR B 19 6.195 17.391 14.814 1.00 1.00 C ATOM 1805 OH TYR B 19 6.469 16.889 16.044 1.00 1.16 O ATOM 0 H TYR B 19 2.777 18.378 11.335 1.00 0.75 H new ATOM 0 HA TYR B 19 4.289 20.886 11.663 1.00 0.94 H new ATOM 0 HB2 TYR B 19 4.860 18.236 10.277 1.00 0.99 H new ATOM 0 HB3 TYR B 19 5.999 19.553 10.476 1.00 0.99 H new ATOM 0 HD1 TYR B 19 4.063 16.964 12.199 1.00 2.27 H new ATOM 0 HD2 TYR B 19 7.137 19.907 12.693 1.00 1.64 H new ATOM 0 HE1 TYR B 19 4.662 15.930 14.366 1.00 2.38 H new ATOM 0 HE2 TYR B 19 7.665 18.973 14.933 1.00 1.57 H new ATOM 0 HH TYR B 19 7.193 17.406 16.455 1.00 1.16 H new ATOM 1815 N SER B 20 2.417 20.462 9.181 1.00 0.72 N ATOM 1816 CA SER B 20 1.757 21.271 8.144 1.00 0.67 C ATOM 1817 C SER B 20 0.944 22.430 8.744 1.00 1.01 C ATOM 1818 O SER B 20 1.126 23.583 8.349 1.00 1.66 O ATOM 1819 CB SER B 20 0.833 20.373 7.308 1.00 0.80 C ATOM 1820 OG SER B 20 1.561 19.374 6.622 1.00 1.62 O ATOM 0 H SER B 20 1.862 19.656 9.469 1.00 0.72 H new ATOM 0 HA SER B 20 2.535 21.705 7.516 1.00 0.67 H new ATOM 0 HB2 SER B 20 0.094 19.904 7.958 1.00 0.80 H new ATOM 0 HB3 SER B 20 0.284 20.982 6.590 1.00 0.80 H new ATOM 0 HG SER B 20 2.154 19.794 5.965 1.00 1.62 H new ATOM 1826 N GLY B 21 0.081 22.170 9.738 1.00 1.00 N ATOM 1827 CA GLY B 21 -0.881 23.157 10.260 1.00 1.35 C ATOM 1828 C GLY B 21 -0.232 24.359 10.955 1.00 1.63 C ATOM 1829 O GLY B 21 -0.846 25.417 11.055 1.00 2.18 O ATOM 0 H GLY B 21 0.029 21.265 10.206 1.00 1.00 H new ATOM 0 HA2 GLY B 21 -1.498 23.517 9.437 1.00 1.35 H new ATOM 0 HA3 GLY B 21 -1.548 22.660 10.965 1.00 1.35 H new ATOM 1832 N ARG B 22 1.028 24.215 11.375 1.00 1.86 N ATOM 1833 CA ARG B 22 1.923 25.289 11.838 1.00 2.31 C ATOM 1834 C ARG B 22 2.379 26.276 10.742 1.00 2.79 C ATOM 1835 O ARG B 22 2.953 27.306 11.070 1.00 3.67 O ATOM 1836 CB ARG B 22 3.145 24.635 12.501 1.00 2.53 C ATOM 1837 CG ARG B 22 3.981 23.779 11.532 1.00 2.81 C ATOM 1838 CD ARG B 22 5.112 24.525 10.813 1.00 2.90 C ATOM 1839 NE ARG B 22 6.172 24.861 11.762 1.00 2.93 N ATOM 1840 CZ ARG B 22 6.989 25.898 11.745 1.00 3.59 C ATOM 1841 NH1 ARG B 22 6.796 26.944 10.975 1.00 4.39 N ATOM 1842 NH2 ARG B 22 8.046 25.861 12.523 1.00 4.40 N ATOM 0 H ARG B 22 1.478 23.300 11.404 1.00 1.86 H new ATOM 0 HA ARG B 22 1.352 25.898 12.539 1.00 2.31 H new ATOM 0 HB2 ARG B 22 3.779 25.413 12.926 1.00 2.53 H new ATOM 0 HB3 ARG B 22 2.809 24.010 13.329 1.00 2.53 H new ATOM 0 HG2 ARG B 22 4.412 22.946 12.087 1.00 2.81 H new ATOM 0 HG3 ARG B 22 3.315 23.352 10.782 1.00 2.81 H new ATOM 0 HD2 ARG B 22 5.514 23.907 10.010 1.00 2.90 H new ATOM 0 HD3 ARG B 22 4.724 25.433 10.352 1.00 2.90 H new ATOM 0 HE ARG B 22 6.296 24.210 12.537 1.00 2.93 H new ATOM 0 HH11 ARG B 22 5.987 26.979 10.355 1.00 4.39 H new ATOM 0 HH12 ARG B 22 7.455 27.722 10.997 1.00 4.39 H new ATOM 0 HH21 ARG B 22 8.215 25.048 13.116 1.00 4.40 H new ATOM 0 HH22 ARG B 22 8.698 26.645 12.535 1.00 4.40 H new ATOM 1856 N GLU B 23 2.229 25.897 9.469 1.00 2.49 N ATOM 1857 CA GLU B 23 2.865 26.523 8.303 1.00 3.15 C ATOM 1858 C GLU B 23 1.858 27.324 7.463 1.00 2.80 C ATOM 1859 O GLU B 23 2.205 28.372 6.920 1.00 3.82 O ATOM 1860 CB GLU B 23 3.458 25.396 7.426 1.00 3.71 C ATOM 1861 CG GLU B 23 4.692 25.805 6.616 1.00 4.94 C ATOM 1862 CD GLU B 23 5.963 25.632 7.438 1.00 5.57 C ATOM 1863 OE1 GLU B 23 6.121 26.353 8.446 1.00 5.41 O ATOM 1864 OE2 GLU B 23 6.776 24.742 7.094 1.00 6.78 O ATOM 0 H GLU B 23 1.634 25.110 9.210 1.00 2.49 H new ATOM 0 HA GLU B 23 3.633 27.214 8.651 1.00 3.15 H new ATOM 0 HB2 GLU B 23 3.722 24.555 8.067 1.00 3.71 H new ATOM 0 HB3 GLU B 23 2.688 25.044 6.739 1.00 3.71 H new ATOM 0 HG2 GLU B 23 4.754 25.201 5.711 1.00 4.94 H new ATOM 0 HG3 GLU B 23 4.597 26.844 6.300 1.00 4.94 H new ATOM 1871 N GLY B 24 0.619 26.826 7.357 1.00 2.75 N ATOM 1872 CA GLY B 24 -0.411 27.344 6.445 1.00 2.89 C ATOM 1873 C GLY B 24 -0.939 26.324 5.429 1.00 2.32 C ATOM 1874 O GLY B 24 -1.536 26.713 4.431 1.00 2.62 O ATOM 0 H GLY B 24 0.297 26.035 7.915 1.00 2.75 H new ATOM 0 HA2 GLY B 24 -1.248 27.714 7.037 1.00 2.89 H new ATOM 0 HA3 GLY B 24 -0.002 28.197 5.904 1.00 2.89 H new ATOM 1877 N SER B 25 -0.768 25.023 5.678 1.00 2.36 N ATOM 1878 CA SER B 25 -1.287 23.911 4.860 1.00 2.04 C ATOM 1879 C SER B 25 -1.726 22.758 5.780 1.00 2.04 C ATOM 1880 O SER B 25 -1.331 22.732 6.942 1.00 2.96 O ATOM 1881 CB SER B 25 -0.160 23.440 3.928 1.00 2.47 C ATOM 1882 OG SER B 25 -0.480 22.277 3.175 1.00 3.04 O ATOM 0 H SER B 25 -0.242 24.696 6.489 1.00 2.36 H new ATOM 0 HA SER B 25 -2.147 24.235 4.274 1.00 2.04 H new ATOM 0 HB2 SER B 25 0.090 24.248 3.240 1.00 2.47 H new ATOM 0 HB3 SER B 25 0.731 23.241 4.524 1.00 2.47 H new ATOM 0 HG SER B 25 0.227 22.108 2.518 1.00 3.04 H new ATOM 1888 N LYS B 26 -2.499 21.760 5.311 1.00 1.43 N ATOM 1889 CA LYS B 26 -2.671 20.497 6.058 1.00 1.36 C ATOM 1890 C LYS B 26 -2.116 19.246 5.329 1.00 1.20 C ATOM 1891 O LYS B 26 -2.216 18.141 5.861 1.00 1.36 O ATOM 1892 CB LYS B 26 -4.142 20.360 6.489 1.00 1.41 C ATOM 1893 CG LYS B 26 -4.691 21.629 7.173 1.00 1.64 C ATOM 1894 CD LYS B 26 -6.050 21.398 7.836 1.00 2.21 C ATOM 1895 CE LYS B 26 -7.177 20.996 6.876 1.00 2.30 C ATOM 1896 NZ LYS B 26 -7.736 22.136 6.121 1.00 2.13 N ATOM 0 H LYS B 26 -3.009 21.801 4.429 1.00 1.43 H new ATOM 0 HA LYS B 26 -2.051 20.550 6.953 1.00 1.36 H new ATOM 0 HB2 LYS B 26 -4.751 20.133 5.614 1.00 1.41 H new ATOM 0 HB3 LYS B 26 -4.238 19.516 7.172 1.00 1.41 H new ATOM 0 HG2 LYS B 26 -3.978 21.970 7.923 1.00 1.64 H new ATOM 0 HG3 LYS B 26 -4.782 22.425 6.434 1.00 1.64 H new ATOM 0 HD2 LYS B 26 -5.942 20.620 8.592 1.00 2.21 H new ATOM 0 HD3 LYS B 26 -6.344 22.310 8.356 1.00 2.21 H new ATOM 0 HE2 LYS B 26 -6.799 20.254 6.173 1.00 2.30 H new ATOM 0 HE3 LYS B 26 -7.976 20.519 7.444 1.00 2.30 H new ATOM 0 HZ1 LYS B 26 -8.624 21.847 5.663 1.00 2.13 H new ATOM 0 HZ2 LYS B 26 -7.923 22.925 6.772 1.00 2.13 H new ATOM 0 HZ3 LYS B 26 -7.055 22.439 5.396 1.00 2.13 H new ATOM 1910 N LEU B 27 -1.491 19.418 4.150 1.00 1.12 N ATOM 1911 CA LEU B 27 -0.898 18.327 3.349 1.00 1.11 C ATOM 1912 C LEU B 27 0.516 18.606 2.783 1.00 0.90 C ATOM 1913 O LEU B 27 1.052 17.747 2.085 1.00 0.86 O ATOM 1914 CB LEU B 27 -1.882 17.835 2.266 1.00 1.48 C ATOM 1915 CG LEU B 27 -2.180 18.797 1.094 1.00 2.05 C ATOM 1916 CD1 LEU B 27 -2.681 17.985 -0.110 1.00 2.25 C ATOM 1917 CD2 LEU B 27 -3.254 19.831 1.457 1.00 3.46 C ATOM 0 H LEU B 27 -1.381 20.335 3.718 1.00 1.12 H new ATOM 0 HA LEU B 27 -0.728 17.517 4.058 1.00 1.11 H new ATOM 0 HB2 LEU B 27 -1.490 16.907 1.850 1.00 1.48 H new ATOM 0 HB3 LEU B 27 -2.827 17.593 2.753 1.00 1.48 H new ATOM 0 HG LEU B 27 -1.256 19.326 0.860 1.00 2.05 H new ATOM 0 HD11 LEU B 27 -2.893 18.659 -0.940 1.00 2.25 H new ATOM 0 HD12 LEU B 27 -1.916 17.269 -0.410 1.00 2.25 H new ATOM 0 HD13 LEU B 27 -3.590 17.450 0.165 1.00 2.25 H new ATOM 0 HD21 LEU B 27 -3.431 20.486 0.604 1.00 3.46 H new ATOM 0 HD22 LEU B 27 -4.179 19.318 1.719 1.00 3.46 H new ATOM 0 HD23 LEU B 27 -2.915 20.425 2.306 1.00 3.46 H new ATOM 1929 N THR B 28 1.135 19.743 3.131 1.00 0.94 N ATOM 1930 CA THR B 28 2.529 20.123 2.813 1.00 0.82 C ATOM 1931 C THR B 28 3.203 20.819 3.995 1.00 0.81 C ATOM 1932 O THR B 28 2.514 21.199 4.941 1.00 0.97 O ATOM 1933 CB THR B 28 2.607 21.049 1.592 1.00 0.81 C ATOM 1934 OG1 THR B 28 1.790 22.175 1.790 1.00 0.96 O ATOM 1935 CG2 THR B 28 2.188 20.377 0.289 1.00 0.85 C ATOM 0 H THR B 28 0.656 20.464 3.671 1.00 0.94 H new ATOM 0 HA THR B 28 3.051 19.193 2.590 1.00 0.82 H new ATOM 0 HB THR B 28 3.656 21.330 1.497 1.00 0.81 H new ATOM 0 HG1 THR B 28 1.967 22.835 1.087 1.00 0.96 H new ATOM 0 HG21 THR B 28 2.268 21.091 -0.531 1.00 0.85 H new ATOM 0 HG22 THR B 28 2.839 19.525 0.093 1.00 0.85 H new ATOM 0 HG23 THR B 28 1.157 20.034 0.372 1.00 0.85 H new ATOM 1943 N LEU B 29 4.529 20.993 3.967 1.00 0.70 N ATOM 1944 CA LEU B 29 5.344 21.711 4.976 1.00 0.70 C ATOM 1945 C LEU B 29 6.747 22.046 4.452 1.00 0.67 C ATOM 1946 O LEU B 29 7.184 21.434 3.492 1.00 0.72 O ATOM 1947 CB LEU B 29 5.448 20.932 6.304 1.00 0.72 C ATOM 1948 CG LEU B 29 6.385 19.702 6.318 1.00 0.62 C ATOM 1949 CD1 LEU B 29 6.442 19.147 7.743 1.00 0.84 C ATOM 1950 CD2 LEU B 29 5.916 18.590 5.375 1.00 0.66 C ATOM 0 H LEU B 29 5.099 20.622 3.207 1.00 0.70 H new ATOM 0 HA LEU B 29 4.820 22.646 5.172 1.00 0.70 H new ATOM 0 HB2 LEU B 29 5.782 21.623 7.078 1.00 0.72 H new ATOM 0 HB3 LEU B 29 4.448 20.601 6.583 1.00 0.72 H new ATOM 0 HG LEU B 29 7.366 20.031 5.974 1.00 0.62 H new ATOM 0 HD11 LEU B 29 7.100 18.278 7.769 1.00 0.84 H new ATOM 0 HD12 LEU B 29 6.826 19.913 8.417 1.00 0.84 H new ATOM 0 HD13 LEU B 29 5.441 18.854 8.060 1.00 0.84 H new ATOM 0 HD21 LEU B 29 6.611 17.752 5.426 1.00 0.66 H new ATOM 0 HD22 LEU B 29 4.922 18.255 5.673 1.00 0.66 H new ATOM 0 HD23 LEU B 29 5.880 18.970 4.354 1.00 0.66 H new ATOM 1962 N SER B 30 7.487 22.967 5.070 1.00 0.68 N ATOM 1963 CA SER B 30 8.857 23.300 4.634 1.00 0.70 C ATOM 1964 C SER B 30 9.871 22.139 4.746 1.00 0.65 C ATOM 1965 O SER B 30 9.819 21.321 5.675 1.00 0.65 O ATOM 1966 CB SER B 30 9.390 24.519 5.408 1.00 0.88 C ATOM 1967 OG SER B 30 9.309 24.323 6.812 1.00 1.60 O ATOM 0 H SER B 30 7.165 23.501 5.877 1.00 0.68 H new ATOM 0 HA SER B 30 8.767 23.526 3.571 1.00 0.70 H new ATOM 0 HB2 SER B 30 10.426 24.706 5.125 1.00 0.88 H new ATOM 0 HB3 SER B 30 8.819 25.405 5.130 1.00 0.88 H new ATOM 0 HG SER B 30 8.478 24.718 7.150 1.00 1.60 H new ATOM 1973 N ARG B 31 10.896 22.115 3.869 1.00 0.71 N ATOM 1974 CA ARG B 31 12.047 21.207 4.055 1.00 0.73 C ATOM 1975 C ARG B 31 12.755 21.434 5.424 1.00 0.71 C ATOM 1976 O ARG B 31 13.447 20.539 5.909 1.00 0.85 O ATOM 1977 CB ARG B 31 13.067 21.206 2.882 1.00 0.94 C ATOM 1978 CG ARG B 31 12.808 21.930 1.542 1.00 1.39 C ATOM 1979 CD ARG B 31 11.884 21.252 0.531 1.00 1.77 C ATOM 1980 NE ARG B 31 12.521 20.109 -0.165 1.00 2.07 N ATOM 1981 CZ ARG B 31 11.980 19.338 -1.117 1.00 2.66 C ATOM 1982 NH1 ARG B 31 10.821 19.574 -1.685 1.00 3.28 N ATOM 1983 NH2 ARG B 31 12.591 18.238 -1.496 1.00 3.12 N ATOM 0 H ARG B 31 10.951 22.704 3.038 1.00 0.71 H new ATOM 0 HA ARG B 31 11.611 20.208 4.057 1.00 0.73 H new ATOM 0 HB2 ARG B 31 13.996 21.614 3.280 1.00 0.94 H new ATOM 0 HB3 ARG B 31 13.257 20.161 2.638 1.00 0.94 H new ATOM 0 HG2 ARG B 31 12.394 22.913 1.767 1.00 1.39 H new ATOM 0 HG3 ARG B 31 13.771 22.093 1.058 1.00 1.39 H new ATOM 0 HD2 ARG B 31 10.988 20.903 1.044 1.00 1.77 H new ATOM 0 HD3 ARG B 31 11.563 21.986 -0.208 1.00 1.77 H new ATOM 0 HE ARG B 31 13.477 19.885 0.112 1.00 2.07 H new ATOM 0 HH11 ARG B 31 10.273 20.388 -1.406 1.00 3.28 H new ATOM 0 HH12 ARG B 31 10.468 18.944 -2.405 1.00 3.28 H new ATOM 0 HH21 ARG B 31 13.476 17.972 -1.065 1.00 3.12 H new ATOM 0 HH22 ARG B 31 12.180 17.650 -2.221 1.00 3.12 H new ATOM 1997 N LYS B 32 12.575 22.596 6.077 1.00 0.70 N ATOM 1998 CA LYS B 32 12.911 22.828 7.496 1.00 0.77 C ATOM 1999 C LYS B 32 12.021 22.024 8.457 1.00 0.70 C ATOM 2000 O LYS B 32 12.543 21.138 9.126 1.00 0.84 O ATOM 2001 CB LYS B 32 12.824 24.332 7.843 1.00 1.05 C ATOM 2002 CG LYS B 32 13.891 25.240 7.213 1.00 1.67 C ATOM 2003 CD LYS B 32 15.212 25.336 7.997 1.00 2.02 C ATOM 2004 CE LYS B 32 16.301 26.227 7.356 1.00 3.09 C ATOM 2005 NZ LYS B 32 15.801 27.523 6.815 1.00 4.26 N ATOM 0 H LYS B 32 12.182 23.421 5.623 1.00 0.70 H new ATOM 0 HA LYS B 32 13.936 22.481 7.628 1.00 0.77 H new ATOM 0 HB2 LYS B 32 11.843 24.697 7.540 1.00 1.05 H new ATOM 0 HB3 LYS B 32 12.882 24.437 8.926 1.00 1.05 H new ATOM 0 HG2 LYS B 32 14.108 24.876 6.209 1.00 1.67 H new ATOM 0 HG3 LYS B 32 13.476 26.242 7.106 1.00 1.67 H new ATOM 0 HD2 LYS B 32 14.996 25.717 8.995 1.00 2.02 H new ATOM 0 HD3 LYS B 32 15.615 24.331 8.120 1.00 2.02 H new ATOM 0 HE2 LYS B 32 17.070 26.431 8.101 1.00 3.09 H new ATOM 0 HE3 LYS B 32 16.779 25.671 6.549 1.00 3.09 H new ATOM 0 HZ1 LYS B 32 16.594 28.057 6.405 1.00 4.26 H new ATOM 0 HZ2 LYS B 32 15.089 27.340 6.079 1.00 4.26 H new ATOM 0 HZ3 LYS B 32 15.371 28.077 7.583 1.00 4.26 H new ATOM 2019 N GLU B 33 10.721 22.317 8.573 1.00 0.75 N ATOM 2020 CA GLU B 33 9.880 21.687 9.605 1.00 0.78 C ATOM 2021 C GLU B 33 9.807 20.149 9.445 1.00 0.72 C ATOM 2022 O GLU B 33 9.708 19.449 10.451 1.00 0.72 O ATOM 2023 CB GLU B 33 8.496 22.360 9.652 1.00 1.05 C ATOM 2024 CG GLU B 33 7.588 21.837 10.781 1.00 1.53 C ATOM 2025 CD GLU B 33 7.725 22.445 12.189 1.00 2.35 C ATOM 2026 OE1 GLU B 33 8.703 23.165 12.488 1.00 2.58 O ATOM 2027 OE2 GLU B 33 6.736 22.312 12.958 1.00 3.63 O ATOM 0 H GLU B 33 10.229 22.979 7.973 1.00 0.75 H new ATOM 0 HA GLU B 33 10.350 21.848 10.575 1.00 0.78 H new ATOM 0 HB2 GLU B 33 8.629 23.435 9.774 1.00 1.05 H new ATOM 0 HB3 GLU B 33 7.996 22.207 8.696 1.00 1.05 H new ATOM 0 HG2 GLU B 33 6.555 21.973 10.462 1.00 1.53 H new ATOM 0 HG3 GLU B 33 7.756 20.763 10.868 1.00 1.53 H new ATOM 2034 N LEU B 34 9.987 19.581 8.241 1.00 0.69 N ATOM 2035 CA LEU B 34 10.115 18.124 8.079 1.00 0.67 C ATOM 2036 C LEU B 34 11.236 17.527 8.953 1.00 0.70 C ATOM 2037 O LEU B 34 11.090 16.437 9.507 1.00 0.62 O ATOM 2038 CB LEU B 34 10.372 17.775 6.600 1.00 0.74 C ATOM 2039 CG LEU B 34 10.191 16.259 6.344 1.00 0.79 C ATOM 2040 CD1 LEU B 34 8.722 15.931 6.063 1.00 1.36 C ATOM 2041 CD2 LEU B 34 11.068 15.777 5.188 1.00 1.22 C ATOM 0 H LEU B 34 10.047 20.107 7.369 1.00 0.69 H new ATOM 0 HA LEU B 34 9.174 17.685 8.409 1.00 0.67 H new ATOM 0 HB2 LEU B 34 9.687 18.338 5.966 1.00 0.74 H new ATOM 0 HB3 LEU B 34 11.382 18.075 6.323 1.00 0.74 H new ATOM 0 HG LEU B 34 10.504 15.735 7.247 1.00 0.79 H new ATOM 0 HD11 LEU B 34 8.616 14.861 5.886 1.00 1.36 H new ATOM 0 HD12 LEU B 34 8.114 16.219 6.921 1.00 1.36 H new ATOM 0 HD13 LEU B 34 8.389 16.480 5.182 1.00 1.36 H new ATOM 0 HD21 LEU B 34 10.915 14.708 5.036 1.00 1.22 H new ATOM 0 HD22 LEU B 34 10.799 16.315 4.279 1.00 1.22 H new ATOM 0 HD23 LEU B 34 12.116 15.964 5.424 1.00 1.22 H new ATOM 2053 N LYS B 35 12.370 18.218 9.104 1.00 0.88 N ATOM 2054 CA LYS B 35 13.454 17.685 9.936 1.00 0.95 C ATOM 2055 C LYS B 35 13.187 17.828 11.444 1.00 0.97 C ATOM 2056 O LYS B 35 13.756 17.064 12.226 1.00 1.05 O ATOM 2057 CB LYS B 35 14.812 18.155 9.400 1.00 1.04 C ATOM 2058 CG LYS B 35 15.353 19.529 9.808 1.00 1.25 C ATOM 2059 CD LYS B 35 16.152 20.161 8.652 1.00 1.56 C ATOM 2060 CE LYS B 35 17.420 19.358 8.305 1.00 2.04 C ATOM 2061 NZ LYS B 35 17.992 19.743 6.991 1.00 3.37 N ATOM 0 H LYS B 35 12.560 19.123 8.674 1.00 0.88 H new ATOM 0 HA LYS B 35 13.493 16.599 9.845 1.00 0.95 H new ATOM 0 HB2 LYS B 35 15.553 17.412 9.694 1.00 1.04 H new ATOM 0 HB3 LYS B 35 14.757 18.136 8.312 1.00 1.04 H new ATOM 0 HG2 LYS B 35 14.527 20.183 10.087 1.00 1.25 H new ATOM 0 HG3 LYS B 35 15.991 19.429 10.686 1.00 1.25 H new ATOM 0 HD2 LYS B 35 15.516 20.229 7.769 1.00 1.56 H new ATOM 0 HD3 LYS B 35 16.433 21.179 8.922 1.00 1.56 H new ATOM 0 HE2 LYS B 35 18.168 19.512 9.083 1.00 2.04 H new ATOM 0 HE3 LYS B 35 17.182 18.294 8.297 1.00 2.04 H new ATOM 0 HZ1 LYS B 35 19.030 19.750 7.053 1.00 3.37 H new ATOM 0 HZ2 LYS B 35 17.693 19.058 6.268 1.00 3.37 H new ATOM 0 HZ3 LYS B 35 17.654 20.691 6.730 1.00 3.37 H new ATOM 2075 N GLU B 36 12.287 18.734 11.829 1.00 0.93 N ATOM 2076 CA GLU B 36 11.668 18.738 13.158 1.00 1.00 C ATOM 2077 C GLU B 36 10.674 17.567 13.314 1.00 0.86 C ATOM 2078 O GLU B 36 10.775 16.828 14.295 1.00 0.99 O ATOM 2079 CB GLU B 36 11.029 20.118 13.418 1.00 1.11 C ATOM 2080 CG GLU B 36 10.393 20.285 14.803 1.00 1.58 C ATOM 2081 CD GLU B 36 11.384 20.441 15.949 1.00 2.26 C ATOM 2082 OE1 GLU B 36 12.512 19.910 15.869 1.00 2.72 O ATOM 2083 OE2 GLU B 36 10.983 20.944 17.024 1.00 3.26 O ATOM 0 H GLU B 36 11.964 19.490 11.225 1.00 0.93 H new ATOM 0 HA GLU B 36 12.430 18.578 13.921 1.00 1.00 H new ATOM 0 HB2 GLU B 36 11.792 20.885 13.290 1.00 1.11 H new ATOM 0 HB3 GLU B 36 10.266 20.298 12.660 1.00 1.11 H new ATOM 0 HG2 GLU B 36 9.741 21.158 14.784 1.00 1.58 H new ATOM 0 HG3 GLU B 36 9.761 19.420 15.003 1.00 1.58 H new ATOM 2090 N LEU B 37 9.773 17.336 12.340 1.00 0.70 N ATOM 2091 CA LEU B 37 8.833 16.203 12.314 1.00 0.66 C ATOM 2092 C LEU B 37 9.574 14.887 12.557 1.00 0.62 C ATOM 2093 O LEU B 37 9.323 14.244 13.576 1.00 0.66 O ATOM 2094 CB LEU B 37 8.044 16.201 10.977 1.00 0.63 C ATOM 2095 CG LEU B 37 7.221 14.928 10.659 1.00 0.72 C ATOM 2096 CD1 LEU B 37 5.971 14.732 11.513 1.00 1.07 C ATOM 2097 CD2 LEU B 37 6.772 14.957 9.193 1.00 1.19 C ATOM 0 H LEU B 37 9.678 17.949 11.530 1.00 0.70 H new ATOM 0 HA LEU B 37 8.109 16.312 13.121 1.00 0.66 H new ATOM 0 HB2 LEU B 37 7.365 17.054 10.981 1.00 0.63 H new ATOM 0 HB3 LEU B 37 8.752 16.361 10.164 1.00 0.63 H new ATOM 0 HG LEU B 37 7.895 14.101 10.881 1.00 0.72 H new ATOM 0 HD11 LEU B 37 5.466 13.814 11.213 1.00 1.07 H new ATOM 0 HD12 LEU B 37 6.255 14.663 12.563 1.00 1.07 H new ATOM 0 HD13 LEU B 37 5.299 15.579 11.374 1.00 1.07 H new ATOM 0 HD21 LEU B 37 6.193 14.060 8.972 1.00 1.19 H new ATOM 0 HD22 LEU B 37 6.156 15.839 9.019 1.00 1.19 H new ATOM 0 HD23 LEU B 37 7.648 14.993 8.545 1.00 1.19 H new ATOM 2109 N ILE B 38 10.502 14.510 11.676 1.00 0.62 N ATOM 2110 CA ILE B 38 11.150 13.180 11.694 1.00 0.73 C ATOM 2111 C ILE B 38 11.936 12.930 12.997 1.00 0.85 C ATOM 2112 O ILE B 38 11.976 11.803 13.491 1.00 1.12 O ATOM 2113 CB ILE B 38 12.004 12.994 10.416 1.00 0.72 C ATOM 2114 CG1 ILE B 38 11.062 12.973 9.184 1.00 1.09 C ATOM 2115 CG2 ILE B 38 12.855 11.708 10.476 1.00 1.13 C ATOM 2116 CD1 ILE B 38 11.783 12.949 7.840 1.00 1.26 C ATOM 0 H ILE B 38 10.833 15.114 10.924 1.00 0.62 H new ATOM 0 HA ILE B 38 10.375 12.413 11.685 1.00 0.73 H new ATOM 0 HB ILE B 38 12.701 13.828 10.336 1.00 0.72 H new ATOM 0 HG12 ILE B 38 10.415 12.098 9.251 1.00 1.09 H new ATOM 0 HG13 ILE B 38 10.416 13.850 9.221 1.00 1.09 H new ATOM 0 HG21 ILE B 38 13.439 11.615 9.560 1.00 1.13 H new ATOM 0 HG22 ILE B 38 13.528 11.757 11.332 1.00 1.13 H new ATOM 0 HG23 ILE B 38 12.200 10.843 10.578 1.00 1.13 H new ATOM 0 HD11 ILE B 38 11.050 12.935 7.034 1.00 1.26 H new ATOM 0 HD12 ILE B 38 12.408 13.837 7.747 1.00 1.26 H new ATOM 0 HD13 ILE B 38 12.407 12.058 7.778 1.00 1.26 H new ATOM 2128 N LYS B 39 12.523 13.967 13.603 1.00 0.81 N ATOM 2129 CA LYS B 39 13.218 13.864 14.894 1.00 0.96 C ATOM 2130 C LYS B 39 12.294 13.804 16.129 1.00 1.18 C ATOM 2131 O LYS B 39 12.751 13.387 17.193 1.00 1.50 O ATOM 2132 CB LYS B 39 14.207 15.034 14.993 1.00 1.09 C ATOM 2133 CG LYS B 39 15.571 14.724 14.355 1.00 1.14 C ATOM 2134 CD LYS B 39 16.460 13.855 15.268 1.00 1.46 C ATOM 2135 CE LYS B 39 17.776 13.516 14.556 1.00 1.94 C ATOM 2136 NZ LYS B 39 18.773 12.900 15.466 1.00 2.54 N ATOM 0 H LYS B 39 12.530 14.908 13.210 1.00 0.81 H new ATOM 0 HA LYS B 39 13.735 12.904 14.911 1.00 0.96 H new ATOM 0 HB2 LYS B 39 13.776 15.909 14.507 1.00 1.09 H new ATOM 0 HB3 LYS B 39 14.353 15.291 16.042 1.00 1.09 H new ATOM 0 HG2 LYS B 39 15.417 14.211 13.406 1.00 1.14 H new ATOM 0 HG3 LYS B 39 16.086 15.658 14.132 1.00 1.14 H new ATOM 0 HD2 LYS B 39 16.667 14.385 16.198 1.00 1.46 H new ATOM 0 HD3 LYS B 39 15.935 12.938 15.534 1.00 1.46 H new ATOM 0 HE2 LYS B 39 17.573 12.834 13.730 1.00 1.94 H new ATOM 0 HE3 LYS B 39 18.196 14.424 14.124 1.00 1.94 H new ATOM 0 HZ1 LYS B 39 19.351 12.216 14.936 1.00 2.54 H new ATOM 0 HZ2 LYS B 39 19.387 13.641 15.860 1.00 2.54 H new ATOM 0 HZ3 LYS B 39 18.281 12.410 16.240 1.00 2.54 H new ATOM 2150 N LYS B 40 11.024 14.210 16.025 1.00 1.12 N ATOM 2151 CA LYS B 40 9.994 14.001 17.055 1.00 1.42 C ATOM 2152 C LYS B 40 9.189 12.706 16.831 1.00 1.54 C ATOM 2153 O LYS B 40 8.770 12.072 17.795 1.00 1.87 O ATOM 2154 CB LYS B 40 9.057 15.223 17.070 1.00 1.48 C ATOM 2155 CG LYS B 40 9.481 16.341 18.025 1.00 1.94 C ATOM 2156 CD LYS B 40 10.795 17.044 17.669 1.00 1.65 C ATOM 2157 CE LYS B 40 10.953 18.240 18.605 1.00 1.97 C ATOM 2158 NZ LYS B 40 12.226 18.964 18.385 1.00 2.30 N ATOM 0 H LYS B 40 10.673 14.704 15.205 1.00 1.12 H new ATOM 0 HA LYS B 40 10.491 13.891 18.019 1.00 1.42 H new ATOM 0 HB2 LYS B 40 8.996 15.630 16.060 1.00 1.48 H new ATOM 0 HB3 LYS B 40 8.055 14.892 17.342 1.00 1.48 H new ATOM 0 HG2 LYS B 40 8.687 17.087 18.060 1.00 1.94 H new ATOM 0 HG3 LYS B 40 9.571 15.924 19.028 1.00 1.94 H new ATOM 0 HD2 LYS B 40 11.636 16.360 17.778 1.00 1.65 H new ATOM 0 HD3 LYS B 40 10.784 17.371 16.629 1.00 1.65 H new ATOM 0 HE2 LYS B 40 10.118 18.925 18.459 1.00 1.97 H new ATOM 0 HE3 LYS B 40 10.907 17.898 19.639 1.00 1.97 H new ATOM 0 HZ1 LYS B 40 12.062 19.988 18.470 1.00 2.30 H new ATOM 0 HZ2 LYS B 40 12.923 18.665 19.097 1.00 2.30 H new ATOM 0 HZ3 LYS B 40 12.588 18.749 17.434 1.00 2.30 H new ATOM 2172 N GLU B 41 8.985 12.321 15.570 1.00 1.39 N ATOM 2173 CA GLU B 41 8.316 11.094 15.138 1.00 1.67 C ATOM 2174 C GLU B 41 8.936 9.817 15.719 1.00 1.41 C ATOM 2175 O GLU B 41 8.200 8.938 16.172 1.00 1.57 O ATOM 2176 CB GLU B 41 8.384 11.032 13.609 1.00 2.25 C ATOM 2177 CG GLU B 41 7.201 11.742 12.951 1.00 2.30 C ATOM 2178 CD GLU B 41 7.137 11.443 11.457 1.00 4.00 C ATOM 2179 OE1 GLU B 41 8.205 11.452 10.808 1.00 5.16 O ATOM 2180 OE2 GLU B 41 6.011 11.203 10.969 1.00 4.71 O ATOM 0 H GLU B 41 9.299 12.887 14.782 1.00 1.39 H new ATOM 0 HA GLU B 41 7.290 11.133 15.505 1.00 1.67 H new ATOM 0 HB2 GLU B 41 9.314 11.488 13.269 1.00 2.25 H new ATOM 0 HB3 GLU B 41 8.404 9.990 13.289 1.00 2.25 H new ATOM 0 HG2 GLU B 41 6.273 11.425 13.428 1.00 2.30 H new ATOM 0 HG3 GLU B 41 7.288 12.817 13.105 1.00 2.30 H new ATOM 2187 N LEU B 42 10.270 9.713 15.715 1.00 1.32 N ATOM 2188 CA LEU B 42 11.013 8.552 16.198 1.00 1.45 C ATOM 2189 C LEU B 42 12.240 9.031 16.975 1.00 1.40 C ATOM 2190 O LEU B 42 12.995 9.878 16.496 1.00 1.49 O ATOM 2191 CB LEU B 42 11.373 7.677 14.978 1.00 1.82 C ATOM 2192 CG LEU B 42 11.331 6.167 15.279 1.00 2.11 C ATOM 2193 CD1 LEU B 42 11.241 5.375 13.966 1.00 2.27 C ATOM 2194 CD2 LEU B 42 12.548 5.688 16.082 1.00 2.83 C ATOM 0 H LEU B 42 10.875 10.456 15.366 1.00 1.32 H new ATOM 0 HA LEU B 42 10.423 7.945 16.885 1.00 1.45 H new ATOM 0 HB2 LEU B 42 10.682 7.898 14.164 1.00 1.82 H new ATOM 0 HB3 LEU B 42 12.371 7.944 14.630 1.00 1.82 H new ATOM 0 HG LEU B 42 10.447 5.990 15.891 1.00 2.11 H new ATOM 0 HD11 LEU B 42 11.212 4.308 14.186 1.00 2.27 H new ATOM 0 HD12 LEU B 42 10.335 5.660 13.430 1.00 2.27 H new ATOM 0 HD13 LEU B 42 12.112 5.594 13.348 1.00 2.27 H new ATOM 0 HD21 LEU B 42 12.465 4.617 16.265 1.00 2.83 H new ATOM 0 HD22 LEU B 42 13.459 5.890 15.518 1.00 2.83 H new ATOM 0 HD23 LEU B 42 12.586 6.217 17.034 1.00 2.83 H new ATOM 2206 N CYS B 43 12.441 8.520 18.192 1.00 1.59 N ATOM 2207 CA CYS B 43 13.422 9.018 19.169 1.00 1.81 C ATOM 2208 C CYS B 43 14.902 8.713 18.839 1.00 1.98 C ATOM 2209 O CYS B 43 15.637 8.152 19.651 1.00 3.11 O ATOM 2210 CB CYS B 43 13.004 8.526 20.565 1.00 2.08 C ATOM 2211 SG CYS B 43 12.885 6.717 20.557 1.00 3.76 S ATOM 0 H CYS B 43 11.910 7.722 18.539 1.00 1.59 H new ATOM 0 HA CYS B 43 13.399 10.107 19.130 1.00 1.81 H new ATOM 0 HB2 CYS B 43 13.731 8.850 21.309 1.00 2.08 H new ATOM 0 HB3 CYS B 43 12.045 8.963 20.845 1.00 2.08 H new ATOM 0 HG CYS B 43 12.534 6.300 21.737 1.00 3.76 H new ATOM 2217 N LEU B 44 15.376 9.145 17.667 1.00 1.86 N ATOM 2218 CA LEU B 44 16.754 9.011 17.185 1.00 2.43 C ATOM 2219 C LEU B 44 17.690 9.998 17.897 1.00 3.17 C ATOM 2220 O LEU B 44 18.166 10.986 17.331 1.00 4.27 O ATOM 2221 CB LEU B 44 16.779 9.180 15.665 1.00 2.97 C ATOM 2222 CG LEU B 44 15.912 8.135 14.929 1.00 2.78 C ATOM 2223 CD1 LEU B 44 15.172 8.825 13.791 1.00 3.61 C ATOM 2224 CD2 LEU B 44 16.687 6.897 14.481 1.00 3.08 C ATOM 0 H LEU B 44 14.777 9.623 16.993 1.00 1.86 H new ATOM 0 HA LEU B 44 17.125 8.014 17.423 1.00 2.43 H new ATOM 0 HB2 LEU B 44 16.428 10.180 15.410 1.00 2.97 H new ATOM 0 HB3 LEU B 44 17.808 9.104 15.313 1.00 2.97 H new ATOM 0 HG LEU B 44 15.183 7.736 15.634 1.00 2.78 H new ATOM 0 HD11 LEU B 44 14.556 8.097 13.263 1.00 3.61 H new ATOM 0 HD12 LEU B 44 14.537 9.613 14.195 1.00 3.61 H new ATOM 0 HD13 LEU B 44 15.893 9.260 13.099 1.00 3.61 H new ATOM 0 HD21 LEU B 44 16.012 6.209 13.972 1.00 3.08 H new ATOM 0 HD22 LEU B 44 17.484 7.194 13.799 1.00 3.08 H new ATOM 0 HD23 LEU B 44 17.119 6.403 15.352 1.00 3.08 H new ATOM 2236 N GLY B 45 17.903 9.704 19.170 1.00 3.16 N ATOM 2237 CA GLY B 45 18.905 10.313 20.059 1.00 3.95 C ATOM 2238 C GLY B 45 20.295 9.738 19.790 1.00 3.15 C ATOM 2239 O GLY B 45 21.250 10.494 19.630 1.00 3.56 O ATOM 0 H GLY B 45 17.352 8.991 19.648 1.00 3.16 H new ATOM 0 HA2 GLY B 45 18.919 11.393 19.912 1.00 3.95 H new ATOM 0 HA3 GLY B 45 18.629 10.137 21.099 1.00 3.95 H new ATOM 2242 N GLU B 46 20.369 8.418 19.609 1.00 2.46 N ATOM 2243 CA GLU B 46 21.328 7.850 18.673 1.00 2.09 C ATOM 2244 C GLU B 46 20.789 8.088 17.258 1.00 2.76 C ATOM 2245 O GLU B 46 19.630 7.818 16.946 1.00 4.22 O ATOM 2246 CB GLU B 46 21.604 6.356 18.926 1.00 3.03 C ATOM 2247 CG GLU B 46 20.344 5.478 19.035 1.00 3.32 C ATOM 2248 CD GLU B 46 20.560 4.006 18.664 1.00 4.98 C ATOM 2249 OE1 GLU B 46 21.645 3.625 18.170 1.00 6.14 O ATOM 2250 OE2 GLU B 46 19.568 3.243 18.694 1.00 5.86 O ATOM 0 H GLU B 46 19.785 7.736 20.092 1.00 2.46 H new ATOM 0 HA GLU B 46 22.291 8.342 18.807 1.00 2.09 H new ATOM 0 HB2 GLU B 46 22.228 5.974 18.118 1.00 3.03 H new ATOM 0 HB3 GLU B 46 22.179 6.258 19.846 1.00 3.03 H new ATOM 0 HG2 GLU B 46 19.967 5.530 20.057 1.00 3.32 H new ATOM 0 HG3 GLU B 46 19.571 5.893 18.388 1.00 3.32 H new ATOM 2257 N MET B 47 21.638 8.617 16.391 1.00 3.29 N ATOM 2258 CA MET B 47 21.389 8.712 14.970 1.00 4.54 C ATOM 2259 C MET B 47 21.989 7.479 14.304 1.00 3.24 C ATOM 2260 O MET B 47 23.171 7.195 14.459 1.00 3.46 O ATOM 2261 CB MET B 47 22.002 10.013 14.449 1.00 6.66 C ATOM 2262 CG MET B 47 21.384 10.382 13.107 1.00 8.17 C ATOM 2263 SD MET B 47 19.648 10.921 13.194 1.00 8.90 S ATOM 2264 CE MET B 47 18.748 9.485 12.545 1.00 7.19 C ATOM 0 H MET B 47 22.541 9.001 16.668 1.00 3.29 H new ATOM 0 HA MET B 47 20.323 8.738 14.744 1.00 4.54 H new ATOM 0 HB2 MET B 47 21.836 10.816 15.168 1.00 6.66 H new ATOM 0 HB3 MET B 47 23.081 9.899 14.342 1.00 6.66 H new ATOM 0 HG2 MET B 47 21.976 11.179 12.656 1.00 8.17 H new ATOM 0 HG3 MET B 47 21.450 9.521 12.442 1.00 8.17 H new ATOM 0 HE1 MET B 47 17.792 9.810 12.135 1.00 7.19 H new ATOM 0 HE2 MET B 47 19.337 9.010 11.760 1.00 7.19 H new ATOM 0 HE3 MET B 47 18.573 8.771 13.350 1.00 7.19 H new ATOM 2274 N LYS B 48 21.149 6.720 13.605 1.00 2.30 N ATOM 2275 CA LYS B 48 21.527 5.451 12.982 1.00 1.72 C ATOM 2276 C LYS B 48 22.131 5.660 11.586 1.00 2.45 C ATOM 2277 O LYS B 48 21.675 6.536 10.847 1.00 3.16 O ATOM 2278 CB LYS B 48 20.314 4.513 12.872 1.00 2.10 C ATOM 2279 CG LYS B 48 19.374 4.462 14.083 1.00 3.28 C ATOM 2280 CD LYS B 48 19.951 3.868 15.365 1.00 3.96 C ATOM 2281 CE LYS B 48 20.114 2.346 15.279 1.00 4.27 C ATOM 2282 NZ LYS B 48 20.482 1.800 16.606 1.00 5.83 N ATOM 0 H LYS B 48 20.172 6.971 13.452 1.00 2.30 H new ATOM 0 HA LYS B 48 22.282 4.997 13.623 1.00 1.72 H new ATOM 0 HB2 LYS B 48 19.731 4.811 12.000 1.00 2.10 H new ATOM 0 HB3 LYS B 48 20.680 3.504 12.682 1.00 2.10 H new ATOM 0 HG2 LYS B 48 19.038 5.476 14.298 1.00 3.28 H new ATOM 0 HG3 LYS B 48 18.491 3.885 13.806 1.00 3.28 H new ATOM 0 HD2 LYS B 48 20.920 4.324 15.570 1.00 3.96 H new ATOM 0 HD3 LYS B 48 19.299 4.115 16.203 1.00 3.96 H new ATOM 0 HE2 LYS B 48 19.185 1.891 14.934 1.00 4.27 H new ATOM 0 HE3 LYS B 48 20.882 2.095 14.548 1.00 4.27 H new ATOM 0 HZ1 LYS B 48 20.739 0.797 16.510 1.00 5.83 H new ATOM 0 HZ2 LYS B 48 21.292 2.330 16.987 1.00 5.83 H new ATOM 0 HZ3 LYS B 48 19.674 1.890 17.255 1.00 5.83 H new ATOM 2296 N GLU B 49 23.074 4.783 11.230 1.00 3.12 N ATOM 2297 CA GLU B 49 23.842 4.812 9.975 1.00 4.36 C ATOM 2298 C GLU B 49 24.519 6.191 9.790 1.00 2.90 C ATOM 2299 O GLU B 49 24.805 6.857 10.781 1.00 2.52 O ATOM 2300 CB GLU B 49 22.924 4.362 8.813 1.00 6.44 C ATOM 2301 CG GLU B 49 23.624 3.503 7.742 1.00 8.26 C ATOM 2302 CD GLU B 49 23.721 4.239 6.414 1.00 9.18 C ATOM 2303 OE1 GLU B 49 24.607 5.110 6.314 1.00 8.95 O ATOM 2304 OE2 GLU B 49 22.870 4.046 5.524 1.00 10.35 O ATOM 0 H GLU B 49 23.336 4.001 11.830 1.00 3.12 H new ATOM 0 HA GLU B 49 24.669 4.103 9.996 1.00 4.36 H new ATOM 0 HB2 GLU B 49 22.088 3.797 9.225 1.00 6.44 H new ATOM 0 HB3 GLU B 49 22.505 5.247 8.334 1.00 6.44 H new ATOM 0 HG2 GLU B 49 24.623 3.235 8.085 1.00 8.26 H new ATOM 0 HG3 GLU B 49 23.074 2.572 7.604 1.00 8.26 H new ATOM 2311 N SER B 50 24.775 6.647 8.567 1.00 3.20 N ATOM 2312 CA SER B 50 25.189 8.027 8.275 1.00 2.23 C ATOM 2313 C SER B 50 24.559 8.621 7.002 1.00 2.06 C ATOM 2314 O SER B 50 24.486 9.840 6.899 1.00 2.94 O ATOM 2315 CB SER B 50 26.717 8.099 8.191 1.00 2.43 C ATOM 2316 OG SER B 50 27.213 7.342 7.100 1.00 3.55 O ATOM 0 H SER B 50 24.701 6.063 7.734 1.00 3.20 H new ATOM 0 HA SER B 50 24.819 8.637 9.099 1.00 2.23 H new ATOM 0 HB2 SER B 50 27.028 9.138 8.086 1.00 2.43 H new ATOM 0 HB3 SER B 50 27.151 7.729 9.120 1.00 2.43 H new ATOM 0 HG SER B 50 28.190 7.409 7.072 1.00 3.55 H new ATOM 2322 N SER B 51 24.040 7.808 6.072 1.00 2.10 N ATOM 2323 CA SER B 51 23.333 8.245 4.852 1.00 2.15 C ATOM 2324 C SER B 51 22.198 9.247 5.110 1.00 2.03 C ATOM 2325 O SER B 51 21.953 10.139 4.298 1.00 2.55 O ATOM 2326 CB SER B 51 22.761 7.002 4.138 1.00 2.85 C ATOM 2327 OG SER B 51 21.826 6.283 4.937 1.00 3.35 O ATOM 0 H SER B 51 24.101 6.793 6.147 1.00 2.10 H new ATOM 0 HA SER B 51 24.065 8.766 4.235 1.00 2.15 H new ATOM 0 HB2 SER B 51 22.277 7.312 3.212 1.00 2.85 H new ATOM 0 HB3 SER B 51 23.581 6.339 3.862 1.00 2.85 H new ATOM 0 HG SER B 51 22.023 5.324 4.888 1.00 3.35 H new ATOM 2333 N ILE B 52 21.555 9.144 6.278 1.00 1.76 N ATOM 2334 CA ILE B 52 20.593 10.120 6.807 1.00 1.53 C ATOM 2335 C ILE B 52 21.101 11.556 6.779 1.00 1.33 C ATOM 2336 O ILE B 52 20.295 12.463 6.575 1.00 1.40 O ATOM 2337 CB ILE B 52 20.124 9.701 8.224 1.00 1.60 C ATOM 2338 CG1 ILE B 52 19.189 10.744 8.896 1.00 2.63 C ATOM 2339 CG2 ILE B 52 21.279 9.288 9.155 1.00 2.57 C ATOM 2340 CD1 ILE B 52 19.833 11.867 9.730 1.00 2.15 C ATOM 0 H ILE B 52 21.694 8.351 6.904 1.00 1.76 H new ATOM 0 HA ILE B 52 19.734 10.110 6.136 1.00 1.53 H new ATOM 0 HB ILE B 52 19.525 8.805 8.060 1.00 1.60 H new ATOM 0 HG12 ILE B 52 18.593 11.211 8.112 1.00 2.63 H new ATOM 0 HG13 ILE B 52 18.497 10.204 9.543 1.00 2.63 H new ATOM 0 HG21 ILE B 52 20.879 9.007 10.129 1.00 2.57 H new ATOM 0 HG22 ILE B 52 21.809 8.440 8.723 1.00 2.57 H new ATOM 0 HG23 ILE B 52 21.968 10.124 9.273 1.00 2.57 H new ATOM 0 HD11 ILE B 52 19.054 12.514 10.133 1.00 2.15 H new ATOM 0 HD12 ILE B 52 20.402 11.430 10.550 1.00 2.15 H new ATOM 0 HD13 ILE B 52 20.500 12.453 9.098 1.00 2.15 H new ATOM 2352 N ASP B 53 22.392 11.793 7.002 1.00 1.27 N ATOM 2353 CA ASP B 53 22.935 13.143 7.041 1.00 1.29 C ATOM 2354 C ASP B 53 22.877 13.812 5.655 1.00 1.20 C ATOM 2355 O ASP B 53 22.537 14.991 5.585 1.00 1.19 O ATOM 2356 CB ASP B 53 24.342 13.125 7.651 1.00 1.71 C ATOM 2357 CG ASP B 53 24.834 14.546 7.936 1.00 2.28 C ATOM 2358 OD1 ASP B 53 24.104 15.320 8.599 1.00 2.42 O ATOM 2359 OD2 ASP B 53 25.908 14.946 7.431 1.00 3.45 O ATOM 0 H ASP B 53 23.083 11.060 7.159 1.00 1.27 H new ATOM 0 HA ASP B 53 22.314 13.761 7.689 1.00 1.29 H new ATOM 0 HB2 ASP B 53 24.334 12.547 8.575 1.00 1.71 H new ATOM 0 HB3 ASP B 53 25.032 12.627 6.969 1.00 1.71 H new ATOM 2364 N ASP B 54 23.089 13.080 4.551 1.00 1.29 N ATOM 2365 CA ASP B 54 22.876 13.624 3.198 1.00 1.36 C ATOM 2366 C ASP B 54 21.388 13.681 2.820 1.00 1.14 C ATOM 2367 O ASP B 54 20.976 14.615 2.131 1.00 1.23 O ATOM 2368 CB ASP B 54 23.684 12.863 2.134 1.00 1.75 C ATOM 2369 CG ASP B 54 23.775 13.654 0.808 1.00 2.04 C ATOM 2370 OD1 ASP B 54 24.008 14.890 0.861 1.00 2.82 O ATOM 2371 OD2 ASP B 54 23.604 13.026 -0.260 1.00 2.39 O ATOM 0 H ASP B 54 23.407 12.111 4.567 1.00 1.29 H new ATOM 0 HA ASP B 54 23.246 14.649 3.223 1.00 1.36 H new ATOM 0 HB2 ASP B 54 24.688 12.668 2.511 1.00 1.75 H new ATOM 0 HB3 ASP B 54 23.219 11.895 1.948 1.00 1.75 H new ATOM 2376 N LEU B 55 20.541 12.779 3.341 1.00 0.95 N ATOM 2377 CA LEU B 55 19.084 12.947 3.233 1.00 0.82 C ATOM 2378 C LEU B 55 18.668 14.266 3.894 1.00 0.79 C ATOM 2379 O LEU B 55 17.918 15.040 3.304 1.00 0.80 O ATOM 2380 CB LEU B 55 18.314 11.761 3.840 1.00 0.75 C ATOM 2381 CG LEU B 55 18.644 10.377 3.250 1.00 0.88 C ATOM 2382 CD1 LEU B 55 17.839 9.311 4.004 1.00 0.85 C ATOM 2383 CD2 LEU B 55 18.351 10.285 1.746 1.00 1.08 C ATOM 0 H LEU B 55 20.835 11.937 3.835 1.00 0.95 H new ATOM 0 HA LEU B 55 18.826 12.976 2.174 1.00 0.82 H new ATOM 0 HB2 LEU B 55 18.510 11.735 4.912 1.00 0.75 H new ATOM 0 HB3 LEU B 55 17.247 11.943 3.716 1.00 0.75 H new ATOM 0 HG LEU B 55 19.715 10.212 3.371 1.00 0.88 H new ATOM 0 HD11 LEU B 55 18.065 8.327 3.594 1.00 0.85 H new ATOM 0 HD12 LEU B 55 18.105 9.334 5.061 1.00 0.85 H new ATOM 0 HD13 LEU B 55 16.774 9.514 3.894 1.00 0.85 H new ATOM 0 HD21 LEU B 55 18.603 9.287 1.387 1.00 1.08 H new ATOM 0 HD22 LEU B 55 17.293 10.478 1.569 1.00 1.08 H new ATOM 0 HD23 LEU B 55 18.949 11.024 1.213 1.00 1.08 H new ATOM 2395 N MET B 56 19.211 14.601 5.068 1.00 0.89 N ATOM 2396 CA MET B 56 19.008 15.909 5.693 1.00 1.03 C ATOM 2397 C MET B 56 19.536 17.044 4.811 1.00 1.16 C ATOM 2398 O MET B 56 18.831 18.045 4.658 1.00 1.28 O ATOM 2399 CB MET B 56 19.620 15.936 7.101 1.00 1.26 C ATOM 2400 CG MET B 56 18.862 15.014 8.059 1.00 1.27 C ATOM 2401 SD MET B 56 17.204 15.579 8.498 1.00 1.58 S ATOM 2402 CE MET B 56 17.246 15.158 10.254 1.00 1.61 C ATOM 0 H MET B 56 19.803 13.973 5.611 1.00 0.89 H new ATOM 0 HA MET B 56 17.935 16.073 5.798 1.00 1.03 H new ATOM 0 HB2 MET B 56 20.665 15.630 7.051 1.00 1.26 H new ATOM 0 HB3 MET B 56 19.604 16.955 7.486 1.00 1.26 H new ATOM 0 HG2 MET B 56 18.786 14.026 7.606 1.00 1.27 H new ATOM 0 HG3 MET B 56 19.446 14.902 8.972 1.00 1.27 H new ATOM 0 HE1 MET B 56 16.319 15.481 10.728 1.00 1.61 H new ATOM 0 HE2 MET B 56 17.355 14.079 10.367 1.00 1.61 H new ATOM 0 HE3 MET B 56 18.090 15.660 10.728 1.00 1.61 H new ATOM 2412 N LYS B 57 20.695 16.893 4.152 1.00 1.24 N ATOM 2413 CA LYS B 57 21.204 17.926 3.225 1.00 1.41 C ATOM 2414 C LYS B 57 20.431 17.999 1.906 1.00 1.37 C ATOM 2415 O LYS B 57 20.535 18.988 1.182 1.00 1.55 O ATOM 2416 CB LYS B 57 22.717 17.798 2.969 1.00 1.65 C ATOM 2417 CG LYS B 57 23.627 17.690 4.204 1.00 1.19 C ATOM 2418 CD LYS B 57 23.156 18.451 5.463 1.00 2.18 C ATOM 2419 CE LYS B 57 23.540 17.752 6.768 1.00 3.48 C ATOM 2420 NZ LYS B 57 24.962 17.364 6.833 1.00 4.37 N ATOM 0 H LYS B 57 21.296 16.074 4.240 1.00 1.24 H new ATOM 0 HA LYS B 57 21.033 18.871 3.741 1.00 1.41 H new ATOM 0 HB2 LYS B 57 22.882 16.917 2.348 1.00 1.65 H new ATOM 0 HB3 LYS B 57 23.037 18.663 2.387 1.00 1.65 H new ATOM 0 HG2 LYS B 57 23.734 16.636 4.460 1.00 1.19 H new ATOM 0 HG3 LYS B 57 24.618 18.055 3.933 1.00 1.19 H new ATOM 0 HD2 LYS B 57 23.584 19.453 5.455 1.00 2.18 H new ATOM 0 HD3 LYS B 57 22.073 18.567 5.426 1.00 2.18 H new ATOM 0 HE2 LYS B 57 23.314 18.413 7.605 1.00 3.48 H new ATOM 0 HE3 LYS B 57 22.923 16.862 6.889 1.00 3.48 H new ATOM 0 HZ1 LYS B 57 25.291 17.413 7.818 1.00 4.37 H new ATOM 0 HZ2 LYS B 57 25.073 16.392 6.479 1.00 4.37 H new ATOM 0 HZ3 LYS B 57 25.526 18.012 6.247 1.00 4.37 H new ATOM 2434 N SER B 58 19.630 16.993 1.597 1.00 1.23 N ATOM 2435 CA SER B 58 18.675 17.002 0.474 1.00 1.29 C ATOM 2436 C SER B 58 17.529 18.002 0.707 1.00 1.24 C ATOM 2437 O SER B 58 16.957 18.528 -0.246 1.00 1.38 O ATOM 2438 CB SER B 58 18.127 15.597 0.166 1.00 1.50 C ATOM 2439 OG SER B 58 16.966 15.294 0.910 1.00 3.40 O ATOM 0 H SER B 58 19.617 16.121 2.126 1.00 1.23 H new ATOM 0 HA SER B 58 19.232 17.333 -0.403 1.00 1.29 H new ATOM 0 HB2 SER B 58 17.902 15.524 -0.898 1.00 1.50 H new ATOM 0 HB3 SER B 58 18.896 14.855 0.381 1.00 1.50 H new ATOM 0 HG SER B 58 17.223 14.940 1.787 1.00 3.40 H new ATOM 2445 N LEU B 59 17.242 18.329 1.978 1.00 1.20 N ATOM 2446 CA LEU B 59 16.200 19.282 2.356 1.00 1.28 C ATOM 2447 C LEU B 59 16.769 20.685 2.159 1.00 1.45 C ATOM 2448 O LEU B 59 16.202 21.536 1.478 1.00 1.65 O ATOM 2449 CB LEU B 59 15.806 19.015 3.829 1.00 1.41 C ATOM 2450 CG LEU B 59 15.344 17.571 4.134 1.00 1.42 C ATOM 2451 CD1 LEU B 59 15.092 17.399 5.638 1.00 1.78 C ATOM 2452 CD2 LEU B 59 14.073 17.218 3.356 1.00 1.47 C ATOM 0 H LEU B 59 17.736 17.931 2.777 1.00 1.20 H new ATOM 0 HA LEU B 59 15.302 19.180 1.747 1.00 1.28 H new ATOM 0 HB2 LEU B 59 16.660 19.249 4.465 1.00 1.41 H new ATOM 0 HB3 LEU B 59 15.006 19.702 4.105 1.00 1.41 H new ATOM 0 HG LEU B 59 16.139 16.895 3.820 1.00 1.42 H new ATOM 0 HD11 LEU B 59 14.767 16.378 5.838 1.00 1.78 H new ATOM 0 HD12 LEU B 59 16.012 17.601 6.187 1.00 1.78 H new ATOM 0 HD13 LEU B 59 14.317 18.095 5.959 1.00 1.78 H new ATOM 0 HD21 LEU B 59 13.774 16.197 3.592 1.00 1.47 H new ATOM 0 HD22 LEU B 59 13.273 17.904 3.635 1.00 1.47 H new ATOM 0 HD23 LEU B 59 14.266 17.302 2.286 1.00 1.47 H new ATOM 2464 N ASP B 60 17.979 20.842 2.677 1.00 1.51 N ATOM 2465 CA ASP B 60 18.847 22.012 2.657 1.00 1.75 C ATOM 2466 C ASP B 60 19.305 22.445 1.245 1.00 1.83 C ATOM 2467 O ASP B 60 19.891 23.513 1.099 1.00 2.13 O ATOM 2468 CB ASP B 60 20.044 21.661 3.549 1.00 1.96 C ATOM 2469 CG ASP B 60 19.685 21.360 5.013 1.00 1.84 C ATOM 2470 OD1 ASP B 60 18.699 21.922 5.539 1.00 2.26 O ATOM 2471 OD2 ASP B 60 20.333 20.468 5.612 1.00 2.89 O ATOM 0 H ASP B 60 18.424 20.071 3.175 1.00 1.51 H new ATOM 0 HA ASP B 60 18.294 22.877 3.023 1.00 1.75 H new ATOM 0 HB2 ASP B 60 20.552 20.794 3.128 1.00 1.96 H new ATOM 0 HB3 ASP B 60 20.753 22.489 3.525 1.00 1.96 H new ATOM 2476 N LYS B 61 19.032 21.661 0.187 1.00 1.78 N ATOM 2477 CA LYS B 61 19.225 22.111 -1.203 1.00 2.02 C ATOM 2478 C LYS B 61 18.363 23.343 -1.547 1.00 1.91 C ATOM 2479 O LYS B 61 18.747 24.133 -2.405 1.00 2.22 O ATOM 2480 CB LYS B 61 18.877 20.989 -2.204 1.00 2.25 C ATOM 2481 CG LYS B 61 19.592 19.633 -2.108 1.00 2.33 C ATOM 2482 CD LYS B 61 20.981 19.575 -2.762 1.00 2.64 C ATOM 2483 CE LYS B 61 22.086 20.221 -1.921 1.00 3.05 C ATOM 2484 NZ LYS B 61 22.491 19.367 -0.778 1.00 3.99 N ATOM 0 H LYS B 61 18.676 20.709 0.269 1.00 1.78 H new ATOM 0 HA LYS B 61 20.278 22.380 -1.285 1.00 2.02 H new ATOM 0 HB2 LYS B 61 17.807 20.799 -2.121 1.00 2.25 H new ATOM 0 HB3 LYS B 61 19.054 21.380 -3.206 1.00 2.25 H new ATOM 0 HG2 LYS B 61 19.693 19.368 -1.056 1.00 2.33 H new ATOM 0 HG3 LYS B 61 18.960 18.874 -2.569 1.00 2.33 H new ATOM 0 HD2 LYS B 61 21.241 18.533 -2.949 1.00 2.64 H new ATOM 0 HD3 LYS B 61 20.937 20.072 -3.731 1.00 2.64 H new ATOM 0 HE2 LYS B 61 22.953 20.416 -2.552 1.00 3.05 H new ATOM 0 HE3 LYS B 61 21.740 21.185 -1.548 1.00 3.05 H new ATOM 0 HZ1 LYS B 61 23.329 19.777 -0.318 1.00 3.99 H new ATOM 0 HZ2 LYS B 61 21.711 19.312 -0.092 1.00 3.99 H new ATOM 0 HZ3 LYS B 61 22.718 18.412 -1.121 1.00 3.99 H new ATOM 2498 N ASN B 62 17.200 23.483 -0.902 1.00 1.60 N ATOM 2499 CA ASN B 62 16.236 24.567 -1.146 1.00 1.71 C ATOM 2500 C ASN B 62 15.579 25.068 0.146 1.00 1.57 C ATOM 2501 O ASN B 62 15.225 26.235 0.250 1.00 2.33 O ATOM 2502 CB ASN B 62 15.143 24.065 -2.098 1.00 1.96 C ATOM 2503 CG ASN B 62 15.719 23.542 -3.403 1.00 2.15 C ATOM 2504 OD1 ASN B 62 15.831 22.343 -3.604 1.00 2.49 O ATOM 2505 ND2 ASN B 62 16.151 24.420 -4.283 1.00 2.54 N ATOM 0 H ASN B 62 16.894 22.832 -0.179 1.00 1.60 H new ATOM 0 HA ASN B 62 16.785 25.401 -1.584 1.00 1.71 H new ATOM 0 HB2 ASN B 62 14.573 23.274 -1.611 1.00 1.96 H new ATOM 0 HB3 ASN B 62 14.446 24.876 -2.309 1.00 1.96 H new ATOM 0 HD21 ASN B 62 16.587 24.102 -5.149 1.00 2.54 H new ATOM 0 HD22 ASN B 62 16.050 25.418 -4.099 1.00 2.54 H new ATOM 2512 N SER B 63 15.406 24.172 1.119 1.00 1.10 N ATOM 2513 CA SER B 63 15.127 24.393 2.539 1.00 0.99 C ATOM 2514 C SER B 63 13.723 24.903 2.875 1.00 0.88 C ATOM 2515 O SER B 63 13.052 24.315 3.713 1.00 1.10 O ATOM 2516 CB SER B 63 16.189 25.316 3.145 1.00 1.40 C ATOM 2517 OG SER B 63 15.893 25.537 4.499 1.00 1.91 O ATOM 0 H SER B 63 15.463 23.175 0.912 1.00 1.10 H new ATOM 0 HA SER B 63 15.169 23.401 2.988 1.00 0.99 H new ATOM 0 HB2 SER B 63 17.177 24.867 3.045 1.00 1.40 H new ATOM 0 HB3 SER B 63 16.214 26.264 2.607 1.00 1.40 H new ATOM 0 HG SER B 63 15.136 26.156 4.572 1.00 1.91 H new ATOM 2523 N ASP B 64 13.295 25.994 2.251 1.00 0.89 N ATOM 2524 CA ASP B 64 12.172 26.817 2.725 1.00 1.08 C ATOM 2525 C ASP B 64 11.022 26.808 1.711 1.00 1.15 C ATOM 2526 O ASP B 64 9.914 27.258 1.981 1.00 1.84 O ATOM 2527 CB ASP B 64 12.724 28.216 3.058 1.00 1.51 C ATOM 2528 CG ASP B 64 13.831 28.153 4.128 1.00 2.39 C ATOM 2529 OD1 ASP B 64 13.862 27.191 4.926 1.00 3.25 O ATOM 2530 OD2 ASP B 64 14.716 29.025 4.187 1.00 3.43 O ATOM 0 H ASP B 64 13.718 26.342 1.391 1.00 0.89 H new ATOM 0 HA ASP B 64 11.731 26.410 3.635 1.00 1.08 H new ATOM 0 HB2 ASP B 64 13.119 28.676 2.152 1.00 1.51 H new ATOM 0 HB3 ASP B 64 11.913 28.853 3.411 1.00 1.51 H new ATOM 2535 N GLN B 65 11.277 26.170 0.570 1.00 1.04 N ATOM 2536 CA GLN B 65 10.279 25.468 -0.216 1.00 0.94 C ATOM 2537 C GLN B 65 9.577 24.365 0.584 1.00 0.77 C ATOM 2538 O GLN B 65 10.107 23.835 1.560 1.00 0.89 O ATOM 2539 CB GLN B 65 11.002 24.793 -1.387 1.00 1.09 C ATOM 2540 CG GLN B 65 11.144 25.705 -2.618 1.00 2.26 C ATOM 2541 CD GLN B 65 12.063 25.119 -3.694 1.00 2.51 C ATOM 2542 OE1 GLN B 65 12.851 25.811 -4.310 1.00 3.37 O ATOM 2543 NE2 GLN B 65 12.057 23.823 -3.928 1.00 2.93 N ATOM 0 H GLN B 65 12.210 26.129 0.161 1.00 1.04 H new ATOM 0 HA GLN B 65 9.529 26.191 -0.536 1.00 0.94 H new ATOM 0 HB2 GLN B 65 11.993 24.477 -1.060 1.00 1.09 H new ATOM 0 HB3 GLN B 65 10.458 23.892 -1.671 1.00 1.09 H new ATOM 0 HG2 GLN B 65 10.158 25.883 -3.047 1.00 2.26 H new ATOM 0 HG3 GLN B 65 11.534 26.673 -2.303 1.00 2.26 H new ATOM 0 HE21 GLN B 65 11.407 23.217 -3.427 1.00 2.93 H new ATOM 0 HE22 GLN B 65 12.702 23.425 -4.611 1.00 2.93 H new ATOM 2552 N GLU B 66 8.415 23.951 0.081 1.00 0.75 N ATOM 2553 CA GLU B 66 7.633 22.861 0.644 1.00 0.78 C ATOM 2554 C GLU B 66 8.135 21.459 0.258 1.00 0.90 C ATOM 2555 O GLU B 66 8.909 21.285 -0.686 1.00 1.16 O ATOM 2556 CB GLU B 66 6.169 23.002 0.200 1.00 0.88 C ATOM 2557 CG GLU B 66 5.494 24.283 0.695 1.00 0.97 C ATOM 2558 CD GLU B 66 4.145 24.423 0.003 1.00 1.48 C ATOM 2559 OE1 GLU B 66 4.146 24.874 -1.161 1.00 1.96 O ATOM 2560 OE2 GLU B 66 3.129 24.037 0.621 1.00 2.53 O ATOM 0 H GLU B 66 7.987 24.373 -0.743 1.00 0.75 H new ATOM 0 HA GLU B 66 7.737 22.943 1.726 1.00 0.78 H new ATOM 0 HB2 GLU B 66 6.125 22.977 -0.889 1.00 0.88 H new ATOM 0 HB3 GLU B 66 5.605 22.142 0.562 1.00 0.88 H new ATOM 0 HG2 GLU B 66 5.362 24.247 1.776 1.00 0.97 H new ATOM 0 HG3 GLU B 66 6.121 25.148 0.479 1.00 0.97 H new ATOM 2567 N ILE B 67 7.633 20.471 0.995 1.00 0.80 N ATOM 2568 CA ILE B 67 7.558 19.024 0.773 1.00 0.82 C ATOM 2569 C ILE B 67 6.093 18.589 0.933 1.00 0.76 C ATOM 2570 O ILE B 67 5.376 19.154 1.759 1.00 0.78 O ATOM 2571 CB ILE B 67 8.487 18.308 1.799 1.00 0.97 C ATOM 2572 CG1 ILE B 67 9.840 18.145 1.099 1.00 1.35 C ATOM 2573 CG2 ILE B 67 7.987 16.957 2.331 1.00 2.12 C ATOM 2574 CD1 ILE B 67 10.995 17.620 1.943 1.00 1.49 C ATOM 0 H ILE B 67 7.207 20.700 1.893 1.00 0.80 H new ATOM 0 HA ILE B 67 7.894 18.756 -0.229 1.00 0.82 H new ATOM 0 HB ILE B 67 8.532 18.923 2.697 1.00 0.97 H new ATOM 0 HG12 ILE B 67 9.705 17.471 0.253 1.00 1.35 H new ATOM 0 HG13 ILE B 67 10.130 19.114 0.692 1.00 1.35 H new ATOM 0 HG21 ILE B 67 8.713 16.552 3.036 1.00 2.12 H new ATOM 0 HG22 ILE B 67 7.030 17.096 2.835 1.00 2.12 H new ATOM 0 HG23 ILE B 67 7.862 16.263 1.500 1.00 2.12 H new ATOM 0 HD11 ILE B 67 11.893 17.552 1.329 1.00 1.49 H new ATOM 0 HD12 ILE B 67 11.176 18.300 2.776 1.00 1.49 H new ATOM 0 HD13 ILE B 67 10.744 16.632 2.329 1.00 1.49 H new ATOM 2586 N ASP B 68 5.674 17.570 0.183 1.00 0.79 N ATOM 2587 CA ASP B 68 4.405 16.871 0.392 1.00 0.88 C ATOM 2588 C ASP B 68 4.593 15.471 1.019 1.00 0.78 C ATOM 2589 O ASP B 68 5.704 15.005 1.285 1.00 1.02 O ATOM 2590 CB ASP B 68 3.580 16.864 -0.920 1.00 1.14 C ATOM 2591 CG ASP B 68 3.650 15.584 -1.760 1.00 1.10 C ATOM 2592 OD1 ASP B 68 4.692 14.889 -1.757 1.00 2.12 O ATOM 2593 OD2 ASP B 68 2.607 15.227 -2.362 1.00 2.22 O ATOM 0 H ASP B 68 6.215 17.201 -0.599 1.00 0.79 H new ATOM 0 HA ASP B 68 3.825 17.421 1.133 1.00 0.88 H new ATOM 0 HB2 ASP B 68 2.536 17.051 -0.669 1.00 1.14 H new ATOM 0 HB3 ASP B 68 3.914 17.697 -1.538 1.00 1.14 H new ATOM 2598 N PHE B 69 3.481 14.766 1.224 1.00 0.66 N ATOM 2599 CA PHE B 69 3.448 13.456 1.875 1.00 0.64 C ATOM 2600 C PHE B 69 4.367 12.380 1.245 1.00 0.61 C ATOM 2601 O PHE B 69 4.780 11.457 1.943 1.00 0.63 O ATOM 2602 CB PHE B 69 1.985 12.982 1.907 1.00 0.75 C ATOM 2603 CG PHE B 69 1.568 12.327 3.207 1.00 1.36 C ATOM 2604 CD1 PHE B 69 1.916 10.991 3.487 1.00 2.73 C ATOM 2605 CD2 PHE B 69 0.822 13.066 4.145 1.00 2.28 C ATOM 2606 CE1 PHE B 69 1.476 10.376 4.671 1.00 3.62 C ATOM 2607 CE2 PHE B 69 0.398 12.456 5.335 1.00 3.16 C ATOM 2608 CZ PHE B 69 0.708 11.111 5.590 1.00 3.51 C ATOM 0 H PHE B 69 2.559 15.096 0.937 1.00 0.66 H new ATOM 0 HA PHE B 69 3.853 13.586 2.879 1.00 0.64 H new ATOM 0 HB2 PHE B 69 1.335 13.837 1.720 1.00 0.75 H new ATOM 0 HB3 PHE B 69 1.827 12.276 1.092 1.00 0.75 H new ATOM 0 HD1 PHE B 69 2.524 10.437 2.788 1.00 2.73 H new ATOM 0 HD2 PHE B 69 0.577 14.099 3.949 1.00 2.28 H new ATOM 0 HE1 PHE B 69 1.726 9.345 4.874 1.00 3.62 H new ATOM 0 HE2 PHE B 69 -0.169 13.024 6.058 1.00 3.16 H new ATOM 0 HZ PHE B 69 0.355 10.640 6.495 1.00 3.51 H new ATOM 2618 N LYS B 70 4.715 12.450 -0.051 1.00 0.63 N ATOM 2619 CA LYS B 70 5.535 11.416 -0.715 1.00 0.68 C ATOM 2620 C LYS B 70 7.019 11.546 -0.370 1.00 0.65 C ATOM 2621 O LYS B 70 7.631 10.547 0.021 1.00 0.69 O ATOM 2622 CB LYS B 70 5.412 11.475 -2.239 1.00 0.81 C ATOM 2623 CG LYS B 70 4.083 11.000 -2.851 1.00 1.32 C ATOM 2624 CD LYS B 70 2.946 11.981 -2.549 1.00 2.91 C ATOM 2625 CE LYS B 70 1.933 12.076 -3.686 1.00 3.96 C ATOM 2626 NZ LYS B 70 1.087 13.282 -3.511 1.00 5.52 N ATOM 0 H LYS B 70 4.440 13.216 -0.665 1.00 0.63 H new ATOM 0 HA LYS B 70 5.149 10.466 -0.345 1.00 0.68 H new ATOM 0 HB2 LYS B 70 5.581 12.505 -2.553 1.00 0.81 H new ATOM 0 HB3 LYS B 70 6.216 10.876 -2.667 1.00 0.81 H new ATOM 0 HG2 LYS B 70 4.196 10.892 -3.930 1.00 1.32 H new ATOM 0 HG3 LYS B 70 3.830 10.016 -2.457 1.00 1.32 H new ATOM 0 HD2 LYS B 70 2.435 11.670 -1.638 1.00 2.91 H new ATOM 0 HD3 LYS B 70 3.365 12.969 -2.358 1.00 2.91 H new ATOM 0 HE2 LYS B 70 2.452 12.121 -4.644 1.00 3.96 H new ATOM 0 HE3 LYS B 70 1.309 11.183 -3.704 1.00 3.96 H new ATOM 0 HZ1 LYS B 70 0.543 13.454 -4.381 1.00 5.52 H new ATOM 0 HZ2 LYS B 70 0.432 13.134 -2.717 1.00 5.52 H new ATOM 0 HZ3 LYS B 70 1.692 14.105 -3.313 1.00 5.52 H new ATOM 2640 N GLU B 71 7.578 12.754 -0.519 1.00 0.61 N ATOM 2641 CA GLU B 71 8.974 13.006 -0.141 1.00 0.60 C ATOM 2642 C GLU B 71 9.156 12.674 1.351 1.00 0.61 C ATOM 2643 O GLU B 71 10.152 12.077 1.743 1.00 0.69 O ATOM 2644 CB GLU B 71 9.413 14.444 -0.448 1.00 0.70 C ATOM 2645 CG GLU B 71 9.129 14.903 -1.887 1.00 0.81 C ATOM 2646 CD GLU B 71 10.001 16.107 -2.257 1.00 1.65 C ATOM 2647 OE1 GLU B 71 11.235 15.954 -2.357 1.00 2.04 O ATOM 2648 OE2 GLU B 71 9.478 17.236 -2.382 1.00 2.97 O ATOM 0 H GLU B 71 7.089 13.566 -0.896 1.00 0.61 H new ATOM 0 HA GLU B 71 9.615 12.361 -0.741 1.00 0.60 H new ATOM 0 HB2 GLU B 71 8.908 15.120 0.242 1.00 0.70 H new ATOM 0 HB3 GLU B 71 10.482 14.533 -0.256 1.00 0.70 H new ATOM 0 HG2 GLU B 71 9.321 14.083 -2.579 1.00 0.81 H new ATOM 0 HG3 GLU B 71 8.076 15.166 -1.988 1.00 0.81 H new ATOM 2655 N TYR B 72 8.118 12.920 2.153 1.00 0.57 N ATOM 2656 CA TYR B 72 8.052 12.511 3.559 1.00 0.54 C ATOM 2657 C TYR B 72 8.094 10.981 3.745 1.00 0.57 C ATOM 2658 O TYR B 72 8.945 10.458 4.472 1.00 0.61 O ATOM 2659 CB TYR B 72 6.788 13.142 4.161 1.00 0.51 C ATOM 2660 CG TYR B 72 6.234 12.463 5.399 1.00 0.54 C ATOM 2661 CD1 TYR B 72 6.987 12.413 6.585 1.00 1.96 C ATOM 2662 CD2 TYR B 72 4.943 11.897 5.370 1.00 2.17 C ATOM 2663 CE1 TYR B 72 6.440 11.833 7.740 1.00 1.90 C ATOM 2664 CE2 TYR B 72 4.399 11.308 6.522 1.00 2.37 C ATOM 2665 CZ TYR B 72 5.144 11.277 7.716 1.00 0.98 C ATOM 2666 OH TYR B 72 4.601 10.734 8.836 1.00 1.30 O ATOM 0 H TYR B 72 7.285 13.418 1.839 1.00 0.57 H new ATOM 0 HA TYR B 72 8.937 12.868 4.086 1.00 0.54 H new ATOM 0 HB2 TYR B 72 7.006 14.181 4.407 1.00 0.51 H new ATOM 0 HB3 TYR B 72 6.011 13.152 3.397 1.00 0.51 H new ATOM 0 HD1 TYR B 72 7.987 12.821 6.607 1.00 1.96 H new ATOM 0 HD2 TYR B 72 4.369 11.917 4.455 1.00 2.17 H new ATOM 0 HE1 TYR B 72 7.016 11.812 8.654 1.00 1.90 H new ATOM 0 HE2 TYR B 72 3.409 10.878 6.492 1.00 2.37 H new ATOM 0 HH TYR B 72 5.066 11.081 9.626 1.00 1.30 H new ATOM 2676 N SER B 73 7.202 10.229 3.099 1.00 0.59 N ATOM 2677 CA SER B 73 7.097 8.780 3.299 1.00 0.68 C ATOM 2678 C SER B 73 8.293 8.000 2.740 1.00 0.66 C ATOM 2679 O SER B 73 8.689 7.012 3.367 1.00 0.65 O ATOM 2680 CB SER B 73 5.774 8.269 2.734 1.00 0.77 C ATOM 2681 OG SER B 73 5.669 8.449 1.341 1.00 1.28 O ATOM 0 H SER B 73 6.534 10.603 2.425 1.00 0.59 H new ATOM 0 HA SER B 73 7.116 8.601 4.374 1.00 0.68 H new ATOM 0 HB2 SER B 73 5.670 7.209 2.968 1.00 0.77 H new ATOM 0 HB3 SER B 73 4.950 8.787 3.226 1.00 0.77 H new ATOM 0 HG SER B 73 6.373 9.059 1.036 1.00 1.28 H new ATOM 2687 N VAL B 74 8.925 8.463 1.647 1.00 0.69 N ATOM 2688 CA VAL B 74 10.202 7.897 1.194 1.00 0.76 C ATOM 2689 C VAL B 74 11.337 8.189 2.169 1.00 0.75 C ATOM 2690 O VAL B 74 12.133 7.290 2.393 1.00 0.80 O ATOM 2691 CB VAL B 74 10.643 8.298 -0.230 1.00 0.84 C ATOM 2692 CG1 VAL B 74 9.618 7.845 -1.270 1.00 0.89 C ATOM 2693 CG2 VAL B 74 10.988 9.775 -0.435 1.00 0.82 C ATOM 0 H VAL B 74 8.572 9.223 1.066 1.00 0.69 H new ATOM 0 HA VAL B 74 9.997 6.827 1.161 1.00 0.76 H new ATOM 0 HB VAL B 74 11.586 7.770 -0.370 1.00 0.84 H new ATOM 0 HG11 VAL B 74 9.954 8.140 -2.264 1.00 0.89 H new ATOM 0 HG12 VAL B 74 9.513 6.761 -1.229 1.00 0.89 H new ATOM 0 HG13 VAL B 74 8.655 8.311 -1.059 1.00 0.89 H new ATOM 0 HG21 VAL B 74 11.284 9.939 -1.471 1.00 0.82 H new ATOM 0 HG22 VAL B 74 10.116 10.388 -0.205 1.00 0.82 H new ATOM 0 HG23 VAL B 74 11.810 10.052 0.225 1.00 0.82 H new ATOM 2703 N PHE B 75 11.421 9.375 2.785 1.00 0.72 N ATOM 2704 CA PHE B 75 12.494 9.718 3.729 1.00 0.71 C ATOM 2705 C PHE B 75 12.461 8.796 4.956 1.00 0.71 C ATOM 2706 O PHE B 75 13.474 8.191 5.304 1.00 0.72 O ATOM 2707 CB PHE B 75 12.320 11.191 4.123 1.00 0.69 C ATOM 2708 CG PHE B 75 13.559 11.926 4.584 1.00 0.64 C ATOM 2709 CD1 PHE B 75 14.141 11.661 5.836 1.00 1.90 C ATOM 2710 CD2 PHE B 75 14.081 12.957 3.779 1.00 2.09 C ATOM 2711 CE1 PHE B 75 15.197 12.461 6.306 1.00 1.81 C ATOM 2712 CE2 PHE B 75 15.154 13.733 4.236 1.00 2.26 C ATOM 2713 CZ PHE B 75 15.711 13.497 5.502 1.00 0.90 C ATOM 0 H PHE B 75 10.746 10.126 2.643 1.00 0.72 H new ATOM 0 HA PHE B 75 13.469 9.576 3.263 1.00 0.71 H new ATOM 0 HB2 PHE B 75 11.907 11.725 3.267 1.00 0.69 H new ATOM 0 HB3 PHE B 75 11.578 11.244 4.920 1.00 0.69 H new ATOM 0 HD1 PHE B 75 13.776 10.842 6.438 1.00 1.90 H new ATOM 0 HD2 PHE B 75 13.653 13.150 2.806 1.00 2.09 H new ATOM 0 HE1 PHE B 75 15.615 12.281 7.285 1.00 1.81 H new ATOM 0 HE2 PHE B 75 15.555 14.517 3.611 1.00 2.26 H new ATOM 0 HZ PHE B 75 16.529 14.106 5.858 1.00 0.90 H new ATOM 2723 N LEU B 76 11.274 8.600 5.546 1.00 0.70 N ATOM 2724 CA LEU B 76 11.062 7.632 6.622 1.00 0.68 C ATOM 2725 C LEU B 76 11.356 6.196 6.186 1.00 0.67 C ATOM 2726 O LEU B 76 12.062 5.475 6.892 1.00 0.69 O ATOM 2727 CB LEU B 76 9.610 7.730 7.106 1.00 0.69 C ATOM 2728 CG LEU B 76 9.301 8.959 7.977 1.00 0.72 C ATOM 2729 CD1 LEU B 76 7.807 8.898 8.290 1.00 1.08 C ATOM 2730 CD2 LEU B 76 10.147 8.953 9.263 1.00 1.21 C ATOM 0 H LEU B 76 10.432 9.113 5.286 1.00 0.70 H new ATOM 0 HA LEU B 76 11.757 7.875 7.426 1.00 0.68 H new ATOM 0 HB2 LEU B 76 8.952 7.744 6.237 1.00 0.69 H new ATOM 0 HB3 LEU B 76 9.370 6.831 7.673 1.00 0.69 H new ATOM 0 HG LEU B 76 9.551 9.884 7.457 1.00 0.72 H new ATOM 0 HD11 LEU B 76 7.530 9.751 8.909 1.00 1.08 H new ATOM 0 HD12 LEU B 76 7.239 8.925 7.360 1.00 1.08 H new ATOM 0 HD13 LEU B 76 7.585 7.974 8.824 1.00 1.08 H new ATOM 0 HD21 LEU B 76 9.908 9.833 9.860 1.00 1.21 H new ATOM 0 HD22 LEU B 76 9.928 8.054 9.839 1.00 1.21 H new ATOM 0 HD23 LEU B 76 11.205 8.968 9.002 1.00 1.21 H new ATOM 2742 N THR B 77 10.858 5.781 5.016 1.00 0.67 N ATOM 2743 CA THR B 77 11.086 4.429 4.483 1.00 0.68 C ATOM 2744 C THR B 77 12.574 4.166 4.254 1.00 0.71 C ATOM 2745 O THR B 77 13.081 3.125 4.662 1.00 0.73 O ATOM 2746 CB THR B 77 10.248 4.224 3.222 1.00 0.68 C ATOM 2747 OG1 THR B 77 8.893 4.309 3.582 1.00 0.70 O ATOM 2748 CG2 THR B 77 10.491 2.837 2.633 1.00 0.74 C ATOM 0 H THR B 77 10.286 6.370 4.411 1.00 0.67 H new ATOM 0 HA THR B 77 10.762 3.693 5.219 1.00 0.68 H new ATOM 0 HB THR B 77 10.520 4.980 2.485 1.00 0.68 H new ATOM 0 HG1 THR B 77 8.575 5.226 3.445 1.00 0.70 H new ATOM 0 HG21 THR B 77 9.885 2.711 1.736 1.00 0.74 H new ATOM 0 HG22 THR B 77 11.545 2.730 2.377 1.00 0.74 H new ATOM 0 HG23 THR B 77 10.217 2.078 3.365 1.00 0.74 H new ATOM 2756 N MET B 78 13.283 5.143 3.687 1.00 0.75 N ATOM 2757 CA MET B 78 14.737 5.170 3.520 1.00 0.82 C ATOM 2758 C MET B 78 15.443 5.034 4.872 1.00 0.82 C ATOM 2759 O MET B 78 16.354 4.217 4.991 1.00 0.87 O ATOM 2760 CB MET B 78 15.125 6.485 2.813 1.00 0.91 C ATOM 2761 CG MET B 78 16.514 6.479 2.183 1.00 0.96 C ATOM 2762 SD MET B 78 16.533 5.886 0.473 1.00 1.73 S ATOM 2763 CE MET B 78 16.147 7.471 -0.327 1.00 1.88 C ATOM 0 H MET B 78 12.836 5.980 3.313 1.00 0.75 H new ATOM 0 HA MET B 78 15.055 4.325 2.909 1.00 0.82 H new ATOM 0 HB2 MET B 78 14.389 6.696 2.037 1.00 0.91 H new ATOM 0 HB3 MET B 78 15.071 7.300 3.534 1.00 0.91 H new ATOM 0 HG2 MET B 78 16.921 7.490 2.213 1.00 0.96 H new ATOM 0 HG3 MET B 78 17.173 5.852 2.783 1.00 0.96 H new ATOM 0 HE1 MET B 78 16.109 7.333 -1.408 1.00 1.88 H new ATOM 0 HE2 MET B 78 15.181 7.832 0.027 1.00 1.88 H new ATOM 0 HE3 MET B 78 16.919 8.200 -0.081 1.00 1.88 H new ATOM 2773 N LEU B 79 15.000 5.765 5.906 1.00 0.79 N ATOM 2774 CA LEU B 79 15.571 5.676 7.256 1.00 0.83 C ATOM 2775 C LEU B 79 15.393 4.294 7.879 1.00 0.79 C ATOM 2776 O LEU B 79 16.359 3.751 8.393 1.00 0.82 O ATOM 2777 CB LEU B 79 14.993 6.778 8.173 1.00 0.97 C ATOM 2778 CG LEU B 79 16.009 7.858 8.581 1.00 0.93 C ATOM 2779 CD1 LEU B 79 17.182 7.281 9.396 1.00 1.40 C ATOM 2780 CD2 LEU B 79 16.514 8.616 7.348 1.00 2.08 C ATOM 0 H LEU B 79 14.235 6.435 5.828 1.00 0.79 H new ATOM 0 HA LEU B 79 16.644 5.837 7.156 1.00 0.83 H new ATOM 0 HB2 LEU B 79 14.156 7.256 7.664 1.00 0.97 H new ATOM 0 HB3 LEU B 79 14.594 6.312 9.074 1.00 0.97 H new ATOM 0 HG LEU B 79 15.490 8.560 9.233 1.00 0.93 H new ATOM 0 HD11 LEU B 79 17.871 8.083 9.660 1.00 1.40 H new ATOM 0 HD12 LEU B 79 16.800 6.817 10.305 1.00 1.40 H new ATOM 0 HD13 LEU B 79 17.706 6.534 8.800 1.00 1.40 H new ATOM 0 HD21 LEU B 79 17.232 9.376 7.657 1.00 2.08 H new ATOM 0 HD22 LEU B 79 16.996 7.918 6.664 1.00 2.08 H new ATOM 0 HD23 LEU B 79 15.673 9.094 6.845 1.00 2.08 H new ATOM 2792 N CYS B 80 14.195 3.705 7.807 1.00 0.77 N ATOM 2793 CA CYS B 80 13.944 2.339 8.293 1.00 0.79 C ATOM 2794 C CYS B 80 14.846 1.295 7.608 1.00 0.83 C ATOM 2795 O CYS B 80 15.441 0.447 8.271 1.00 0.91 O ATOM 2796 CB CYS B 80 12.455 2.041 8.086 1.00 0.82 C ATOM 2797 SG CYS B 80 12.091 0.368 8.695 1.00 1.10 S ATOM 0 H CYS B 80 13.371 4.159 7.411 1.00 0.77 H new ATOM 0 HA CYS B 80 14.195 2.274 9.352 1.00 0.79 H new ATOM 0 HB2 CYS B 80 11.848 2.774 8.617 1.00 0.82 H new ATOM 0 HB3 CYS B 80 12.199 2.120 7.029 1.00 0.82 H new ATOM 0 HG CYS B 80 10.829 0.109 8.524 1.00 1.10 H new ATOM 2803 N MET B 81 14.996 1.413 6.287 1.00 0.83 N ATOM 2804 CA MET B 81 15.858 0.582 5.448 1.00 0.89 C ATOM 2805 C MET B 81 17.338 0.755 5.819 1.00 0.94 C ATOM 2806 O MET B 81 18.084 -0.211 5.748 1.00 1.07 O ATOM 2807 CB MET B 81 15.547 0.935 3.988 1.00 1.07 C ATOM 2808 CG MET B 81 16.348 0.134 2.952 1.00 1.91 C ATOM 2809 SD MET B 81 16.841 1.121 1.519 1.00 3.04 S ATOM 2810 CE MET B 81 17.939 2.262 2.400 1.00 4.40 C ATOM 0 H MET B 81 14.497 2.123 5.750 1.00 0.83 H new ATOM 0 HA MET B 81 15.659 -0.478 5.607 1.00 0.89 H new ATOM 0 HB2 MET B 81 14.484 0.776 3.808 1.00 1.07 H new ATOM 0 HB3 MET B 81 15.740 1.997 3.836 1.00 1.07 H new ATOM 0 HG2 MET B 81 17.239 -0.275 3.428 1.00 1.91 H new ATOM 0 HG3 MET B 81 15.750 -0.712 2.614 1.00 1.91 H new ATOM 0 HE1 MET B 81 18.772 2.538 1.753 1.00 4.40 H new ATOM 0 HE2 MET B 81 17.384 3.158 2.680 1.00 4.40 H new ATOM 0 HE3 MET B 81 18.322 1.778 3.298 1.00 4.40 H new ATOM 2820 N ALA B 82 17.743 1.956 6.243 1.00 0.92 N ATOM 2821 CA ALA B 82 19.115 2.282 6.624 1.00 1.01 C ATOM 2822 C ALA B 82 19.548 1.761 8.013 1.00 1.04 C ATOM 2823 O ALA B 82 20.694 1.984 8.396 1.00 1.27 O ATOM 2824 CB ALA B 82 19.301 3.802 6.503 1.00 1.02 C ATOM 0 H ALA B 82 17.106 2.748 6.332 1.00 0.92 H new ATOM 0 HA ALA B 82 19.776 1.754 5.937 1.00 1.01 H new ATOM 0 HB1 ALA B 82 20.320 4.067 6.783 1.00 1.02 H new ATOM 0 HB2 ALA B 82 19.116 4.110 5.474 1.00 1.02 H new ATOM 0 HB3 ALA B 82 18.599 4.308 7.166 1.00 1.02 H new ATOM 2830 N TYR B 83 18.678 1.112 8.806 1.00 1.01 N ATOM 2831 CA TYR B 83 19.095 0.596 10.123 1.00 1.19 C ATOM 2832 C TYR B 83 18.381 -0.654 10.664 1.00 1.37 C ATOM 2833 O TYR B 83 18.683 -1.066 11.787 1.00 1.81 O ATOM 2834 CB TYR B 83 19.113 1.742 11.155 1.00 1.25 C ATOM 2835 CG TYR B 83 17.783 2.295 11.647 1.00 1.22 C ATOM 2836 CD1 TYR B 83 17.056 1.606 12.645 1.00 2.28 C ATOM 2837 CD2 TYR B 83 17.336 3.566 11.227 1.00 2.24 C ATOM 2838 CE1 TYR B 83 15.895 2.165 13.205 1.00 2.52 C ATOM 2839 CE2 TYR B 83 16.172 4.133 11.784 1.00 2.19 C ATOM 2840 CZ TYR B 83 15.458 3.438 12.783 1.00 1.56 C ATOM 2841 OH TYR B 83 14.363 3.993 13.359 1.00 1.84 O ATOM 0 H TYR B 83 17.703 0.934 8.566 1.00 1.01 H new ATOM 0 HA TYR B 83 20.100 0.213 9.948 1.00 1.19 H new ATOM 0 HB2 TYR B 83 19.671 1.396 12.025 1.00 1.25 H new ATOM 0 HB3 TYR B 83 19.677 2.569 10.723 1.00 1.25 H new ATOM 0 HD1 TYR B 83 17.397 0.638 12.981 1.00 2.28 H new ATOM 0 HD2 TYR B 83 17.889 4.108 10.474 1.00 2.24 H new ATOM 0 HE1 TYR B 83 15.339 1.622 13.955 1.00 2.52 H new ATOM 0 HE2 TYR B 83 15.827 5.099 11.446 1.00 2.19 H new ATOM 0 HH TYR B 83 14.193 4.871 12.959 1.00 1.84 H new ATOM 2851 N ASN B 84 17.438 -1.260 9.930 1.00 1.31 N ATOM 2852 CA ASN B 84 16.704 -2.459 10.379 1.00 1.55 C ATOM 2853 C ASN B 84 17.087 -3.744 9.640 1.00 1.40 C ATOM 2854 O ASN B 84 16.247 -4.572 9.278 1.00 1.91 O ATOM 2855 CB ASN B 84 15.195 -2.210 10.433 1.00 2.06 C ATOM 2856 CG ASN B 84 14.832 -1.168 11.477 1.00 3.10 C ATOM 2857 OD1 ASN B 84 14.869 -1.411 12.677 1.00 4.02 O ATOM 2858 ND2 ASN B 84 14.509 0.027 11.032 1.00 3.58 N ATOM 0 H ASN B 84 17.159 -0.934 9.005 1.00 1.31 H new ATOM 0 HA ASN B 84 17.029 -2.644 11.403 1.00 1.55 H new ATOM 0 HB2 ASN B 84 14.846 -1.881 9.454 1.00 2.06 H new ATOM 0 HB3 ASN B 84 14.680 -3.144 10.658 1.00 2.06 H new ATOM 0 HD21 ASN B 84 14.283 0.773 11.690 1.00 3.58 H new ATOM 0 HD22 ASN B 84 14.484 0.208 10.028 1.00 3.58 H new ATOM 2865 N ASP B 85 18.394 -3.988 9.571 1.00 1.59 N ATOM 2866 CA ASP B 85 18.996 -5.279 9.237 1.00 1.72 C ATOM 2867 C ASP B 85 18.472 -6.421 10.133 1.00 1.92 C ATOM 2868 O ASP B 85 18.526 -7.589 9.759 1.00 2.13 O ATOM 2869 CB ASP B 85 20.526 -5.154 9.396 1.00 2.45 C ATOM 2870 CG ASP B 85 21.098 -3.831 8.868 1.00 3.59 C ATOM 2871 OD1 ASP B 85 20.986 -2.828 9.618 1.00 4.24 O ATOM 2872 OD2 ASP B 85 21.607 -3.833 7.730 1.00 4.65 O ATOM 0 H ASP B 85 19.090 -3.265 9.753 1.00 1.59 H new ATOM 0 HA ASP B 85 18.726 -5.530 8.211 1.00 1.72 H new ATOM 0 HB2 ASP B 85 20.782 -5.254 10.451 1.00 2.45 H new ATOM 0 HB3 ASP B 85 21.005 -5.981 8.872 1.00 2.45 H new