USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1400 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 Single : A 1 MET CE :methyl 149:sc= -0.0944 (180deg=-1.15) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.00329 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 138:sc= -2.3! (180deg=-5.08!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 10 GLN : amide:sc= -2.99 K(o=-3,f=-11!) USER MOD Single : A 12 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.157 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 29 ASN : amide:sc= -7.73! C(o=-7.7!,f=-15!) USER MOD Single : A 31 GLN : amide:sc= -9.61! C(o=-9.6!,f=-15!) USER MOD Single : A 33 CYS SG : rot -37:sc= -7.65! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.7!) USER MOD Single : A 41 HIS : no HD1:sc= -5.35! C(o=-5.3!,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -140:sc= -0.584 USER MOD Single : A 53 GLN : amide:sc= -0.844 K(o=-0.84,f=-2.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0455 USER MOD Single : A 61 TYR OH : rot 4:sc= 0.486 USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.0438! USER MOD Single : A 64 HIS : no HD1:sc= -0.595 K(o=-0.59,f=-4.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -138:sc= -0.239 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.54) USER MOD Single : A 75 SER OG : rot 180:sc= -1.17 USER MOD Single : A 77 MET CE :methyl -117:sc= -0.261 (180deg=-1.11) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0397) USER MOD Single : B 1 MET CE :methyl 149:sc= -0.112 (180deg=-1.09) USER MOD Single : B 1 MET N :NH3+ 144:sc= 0.00264 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 132:sc= -2.31! (180deg=-5.08!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0266 USER MOD Single : B 10 GLN : amide:sc= -2.99 K(o=-3,f=-11!) USER MOD Single : B 12 GLN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.152 USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 75:sc= 0.0606 USER MOD Single : B 29 ASN : amide:sc= -7.8! C(o=-7.8!,f=-15!) USER MOD Single : B 31 GLN : amide:sc= -9.39! C(o=-9.4!,f=-15!) USER MOD Single : B 33 CYS SG : rot -33:sc= -7.64! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.7!) USER MOD Single : B 41 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-4.8!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -140:sc= -0.583 USER MOD Single : B 53 GLN : amide:sc= -0.852 K(o=-0.85,f=-2.7!) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.0283 USER MOD Single : B 61 TYR OH : rot -11:sc= 0.451 USER MOD Single : B 62 THR OG1 : rot 43:sc= 0.133! USER MOD Single : B 64 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-4.5!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -138:sc= -0.187 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -2.65! K(o=-2.7!,f=-0.49) USER MOD Single : B 75 SER OG : rot 180:sc= -1.17 USER MOD Single : B 77 MET CE :methyl -103:sc= -0.197 (180deg=-1.12) USER MOD Single : B 87 LYS NZ :NH3+ -113:sc= -0.0232 (180deg=-0.0486) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.056 18.118 3.272 1.00 42.32 N ATOM 2 CA MET A 1 -1.660 17.690 3.570 1.00 40.89 C ATOM 3 C MET A 1 -1.680 16.593 4.634 1.00 34.75 C ATOM 4 O MET A 1 -2.359 16.698 5.635 1.00 33.97 O ATOM 5 CB MET A 1 -0.859 18.884 4.093 1.00 48.45 C ATOM 6 CG MET A 1 0.474 18.397 4.671 1.00 56.13 C ATOM 7 SD MET A 1 1.830 19.324 3.908 1.00 64.91 S ATOM 8 CE MET A 1 1.290 20.976 4.413 1.00 63.43 C ATOM 0 H1 MET A 1 -3.061 19.123 3.004 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.434 17.548 2.488 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.648 17.982 4.116 1.00 42.32 H new ATOM 0 HA MET A 1 -1.197 17.310 2.659 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.679 19.595 3.287 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.429 19.409 4.860 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.487 18.535 5.752 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.597 17.330 4.484 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.161 21.616 4.555 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.649 21.401 3.640 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.734 20.907 5.348 1.00 63.43 H new ATOM 20 N ILE A 2 -0.928 15.547 4.434 1.00 28.59 N ATOM 21 CA ILE A 2 -0.898 14.458 5.447 1.00 24.58 C ATOM 22 C ILE A 2 -0.151 14.970 6.676 1.00 19.29 C ATOM 23 O ILE A 2 1.007 14.671 6.887 1.00 19.53 O ATOM 24 CB ILE A 2 -0.179 13.241 4.872 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.696 12.959 3.462 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.452 12.027 5.758 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.419 12.331 2.637 1.00 33.80 C ATOM 0 H ILE A 2 -0.336 15.400 3.617 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.912 14.167 5.720 1.00 24.58 H new ATOM 0 HB ILE A 2 0.892 13.438 4.835 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.555 12.290 3.504 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.035 13.883 2.994 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.060 11.156 5.350 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.087 12.223 6.766 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.524 11.835 5.791 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.056 12.127 1.630 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.265 13.017 2.586 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.736 11.398 3.104 1.00 33.80 H new ATOM 39 N LYS A 3 -0.805 15.768 7.470 1.00 18.14 N ATOM 40 CA LYS A 3 -0.147 16.349 8.675 1.00 16.66 C ATOM 41 C LYS A 3 0.253 15.259 9.669 1.00 14.94 C ATOM 42 O LYS A 3 -0.315 14.186 9.709 1.00 13.94 O ATOM 43 CB LYS A 3 -1.108 17.324 9.354 1.00 16.94 C ATOM 44 CG LYS A 3 -0.872 18.736 8.814 1.00 17.85 C ATOM 45 CD LYS A 3 -1.833 19.711 9.496 1.00 19.63 C ATOM 46 CE LYS A 3 -1.469 21.144 9.106 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.099 22.096 10.065 1.00 32.72 N ATOM 0 H LYS A 3 -1.777 16.046 7.336 1.00 18.14 H new ATOM 0 HA LYS A 3 0.756 16.868 8.355 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.139 17.021 9.171 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.958 17.307 10.433 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.159 19.039 8.996 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.024 18.754 7.735 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.859 19.492 9.201 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -1.780 19.593 10.578 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.386 21.270 9.111 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.810 21.354 8.092 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.851 23.071 9.800 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.132 21.982 10.039 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -1.753 21.900 11.026 1.00 32.72 H new ATOM 61 N VAL A 4 1.234 15.552 10.479 1.00 12.42 N ATOM 62 CA VAL A 4 1.707 14.577 11.498 1.00 12.99 C ATOM 63 C VAL A 4 2.618 15.314 12.492 1.00 14.26 C ATOM 64 O VAL A 4 3.077 16.408 12.235 1.00 13.80 O ATOM 65 CB VAL A 4 2.459 13.416 10.805 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.037 13.880 9.467 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.597 12.898 11.697 1.00 10.41 C ATOM 0 H VAL A 4 1.734 16.441 10.476 1.00 12.42 H new ATOM 0 HA VAL A 4 0.862 14.150 12.038 1.00 12.99 H new ATOM 0 HB VAL A 4 1.747 12.609 10.632 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.563 13.052 8.991 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.228 14.217 8.818 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.732 14.702 9.637 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.113 12.082 11.191 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.301 13.706 11.894 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.185 12.538 12.640 1.00 10.41 H new ATOM 77 N GLU A 5 2.866 14.727 13.629 1.00 9.27 N ATOM 78 CA GLU A 5 3.730 15.390 14.651 1.00 10.51 C ATOM 79 C GLU A 5 4.689 14.372 15.253 1.00 10.00 C ATOM 80 O GLU A 5 4.284 13.403 15.859 1.00 10.96 O ATOM 81 CB GLU A 5 2.847 15.962 15.760 1.00 10.42 C ATOM 82 CG GLU A 5 2.323 17.333 15.336 1.00 18.68 C ATOM 83 CD GLU A 5 1.344 17.856 16.388 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.294 17.278 17.461 1.00 22.12 O ATOM 85 OE2 GLU A 5 0.661 18.826 16.104 1.00 19.38 O ATOM 0 H GLU A 5 2.506 13.811 13.898 1.00 9.27 H new ATOM 0 HA GLU A 5 4.300 16.190 14.178 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.014 15.288 15.960 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.417 16.049 16.685 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.153 18.030 15.218 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.828 17.261 14.368 1.00 18.68 H new ATOM 92 N ILE A 6 5.962 14.590 15.113 1.00 9.86 N ATOM 93 CA ILE A 6 6.929 13.628 15.714 1.00 10.60 C ATOM 94 C ILE A 6 6.974 13.901 17.227 1.00 10.16 C ATOM 95 O ILE A 6 7.595 14.844 17.679 1.00 11.64 O ATOM 96 CB ILE A 6 8.322 13.782 15.048 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.646 12.500 14.273 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.418 14.016 16.091 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.399 12.723 12.779 1.00 13.81 C ATOM 0 H ILE A 6 6.374 15.380 14.616 1.00 9.86 H new ATOM 0 HA ILE A 6 6.618 12.597 15.545 1.00 10.60 H new ATOM 0 HB ILE A 6 8.289 14.644 14.382 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.685 12.215 14.441 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.027 11.679 14.635 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.381 14.119 15.590 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.200 14.926 16.650 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.455 13.169 16.776 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.631 11.809 12.232 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.354 12.987 12.618 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.037 13.532 12.422 1.00 13.81 H new ATOM 111 N LYS A 7 6.298 13.098 18.013 1.00 11.63 N ATOM 112 CA LYS A 7 6.286 13.329 19.484 1.00 11.59 C ATOM 113 C LYS A 7 7.708 13.606 19.978 1.00 12.98 C ATOM 114 O LYS A 7 8.659 13.467 19.233 1.00 9.79 O ATOM 115 CB LYS A 7 5.725 12.087 20.178 1.00 12.52 C ATOM 116 CG LYS A 7 4.301 12.367 20.675 1.00 14.26 C ATOM 117 CD LYS A 7 3.495 13.098 19.597 1.00 15.70 C ATOM 118 CE LYS A 7 3.097 14.481 20.108 1.00 19.19 C ATOM 119 NZ LYS A 7 3.944 15.520 19.456 1.00 25.43 N ATOM 0 H LYS A 7 5.756 12.294 17.696 1.00 11.63 H new ATOM 0 HA LYS A 7 5.661 14.191 19.716 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.719 11.244 19.487 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.364 11.808 21.016 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.808 11.430 20.934 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.337 12.970 21.583 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.087 13.192 18.686 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.605 12.523 19.341 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.045 14.669 19.895 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.216 14.528 21.190 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.353 16.334 19.192 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.684 15.830 20.117 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.386 15.122 18.603 1.00 25.43 H new ATOM 133 N PRO A 8 7.810 13.991 21.225 1.00 13.56 N ATOM 134 CA PRO A 8 9.106 14.298 21.855 1.00 11.93 C ATOM 135 C PRO A 8 9.853 13.003 22.158 1.00 10.20 C ATOM 136 O PRO A 8 11.066 12.967 22.213 1.00 12.05 O ATOM 137 CB PRO A 8 8.719 15.037 23.139 1.00 12.78 C ATOM 138 CG PRO A 8 7.260 14.631 23.452 1.00 12.51 C ATOM 139 CD PRO A 8 6.647 14.147 22.124 1.00 13.61 C ATOM 0 HA PRO A 8 9.769 14.891 21.226 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.383 14.764 23.959 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.802 16.116 23.007 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.229 13.842 24.204 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.700 15.476 23.853 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.113 13.206 22.251 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.932 14.868 21.729 1.00 13.61 H new ATOM 147 N SER A 9 9.132 11.938 22.335 1.00 10.65 N ATOM 148 CA SER A 9 9.786 10.632 22.613 1.00 10.83 C ATOM 149 C SER A 9 10.108 9.946 21.284 1.00 10.94 C ATOM 150 O SER A 9 10.652 8.860 21.250 1.00 13.16 O ATOM 151 CB SER A 9 8.844 9.750 23.432 1.00 13.01 C ATOM 152 OG SER A 9 7.762 10.537 23.912 1.00 15.52 O ATOM 0 H SER A 9 8.113 11.913 22.299 1.00 10.65 H new ATOM 0 HA SER A 9 10.705 10.792 23.178 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.469 8.931 22.818 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.382 9.302 24.268 1.00 13.01 H new ATOM 0 HG SER A 9 7.155 9.974 24.436 1.00 15.52 H new ATOM 158 N GLN A 10 9.776 10.575 20.187 1.00 10.02 N ATOM 159 CA GLN A 10 10.062 9.964 18.861 1.00 11.55 C ATOM 160 C GLN A 10 10.973 10.892 18.054 1.00 13.72 C ATOM 161 O GLN A 10 10.827 11.030 16.857 1.00 17.31 O ATOM 162 CB GLN A 10 8.754 9.759 18.102 1.00 6.60 C ATOM 163 CG GLN A 10 7.667 9.342 19.086 1.00 7.20 C ATOM 164 CD GLN A 10 7.938 7.919 19.577 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.053 7.441 19.507 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.958 7.216 20.076 1.00 4.80 N ATOM 0 H GLN A 10 9.319 11.486 20.155 1.00 10.02 H new ATOM 0 HA GLN A 10 10.556 9.003 19.006 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.467 10.679 17.592 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.880 8.995 17.335 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.643 10.031 19.931 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.689 9.392 18.606 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.022 7.616 20.135 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.128 6.266 20.407 1.00 4.80 H new ATOM 175 N ALA A 11 11.903 11.543 18.698 1.00 15.28 N ATOM 176 CA ALA A 11 12.807 12.470 17.957 1.00 18.95 C ATOM 177 C ALA A 11 14.149 11.790 17.678 1.00 20.75 C ATOM 178 O ALA A 11 15.086 12.413 17.220 1.00 24.78 O ATOM 179 CB ALA A 11 13.039 13.731 18.790 1.00 17.72 C ATOM 0 H ALA A 11 12.076 11.474 19.701 1.00 15.28 H new ATOM 0 HA ALA A 11 12.340 12.736 17.009 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.700 14.408 18.249 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.085 14.225 18.975 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.498 13.460 19.741 1.00 17.72 H new ATOM 185 N GLN A 12 14.251 10.520 17.948 1.00 22.50 N ATOM 186 CA GLN A 12 15.528 9.805 17.698 1.00 25.43 C ATOM 187 C GLN A 12 15.210 8.418 17.118 1.00 22.80 C ATOM 188 O GLN A 12 14.304 7.745 17.569 1.00 20.93 O ATOM 189 CB GLN A 12 16.289 9.681 19.029 1.00 30.18 C ATOM 190 CG GLN A 12 17.057 8.361 19.082 1.00 42.11 C ATOM 191 CD GLN A 12 18.176 8.456 20.121 1.00 46.61 C ATOM 192 OE1 GLN A 12 19.197 7.810 19.991 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.026 9.238 21.154 1.00 47.90 N ATOM 0 H GLN A 12 13.501 9.946 18.333 1.00 22.50 H new ATOM 0 HA GLN A 12 16.149 10.349 16.986 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.981 10.516 19.139 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.588 9.735 19.862 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.380 7.545 19.336 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.476 8.134 18.102 1.00 42.11 H new ATOM 0 HE21 GLN A 12 17.169 9.780 21.263 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.766 9.307 21.853 1.00 47.90 H new ATOM 202 N PHE A 13 15.944 7.983 16.128 1.00 21.61 N ATOM 203 CA PHE A 13 15.673 6.649 15.541 1.00 20.51 C ATOM 204 C PHE A 13 16.382 5.579 16.363 1.00 18.83 C ATOM 205 O PHE A 13 17.140 5.872 17.266 1.00 18.83 O ATOM 206 CB PHE A 13 16.203 6.614 14.113 1.00 19.56 C ATOM 207 CG PHE A 13 17.644 7.067 14.121 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.660 6.159 14.439 1.00 15.55 C ATOM 209 CD2 PHE A 13 17.964 8.397 13.822 1.00 20.50 C ATOM 210 CE1 PHE A 13 19.994 6.580 14.457 1.00 14.07 C ATOM 211 CE2 PHE A 13 19.296 8.818 13.839 1.00 20.75 C ATOM 212 CZ PHE A 13 20.311 7.910 14.157 1.00 18.48 C ATOM 0 H PHE A 13 16.717 8.497 15.705 1.00 21.61 H new ATOM 0 HA PHE A 13 14.599 6.460 15.543 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.126 5.606 13.706 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.606 7.263 13.472 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.414 5.133 14.671 1.00 15.55 H new ATOM 0 HD2 PHE A 13 17.180 9.098 13.578 1.00 20.50 H new ATOM 0 HE1 PHE A 13 20.779 5.879 14.702 1.00 14.07 H new ATOM 0 HE2 PHE A 13 19.542 9.844 13.607 1.00 20.75 H new ATOM 0 HZ PHE A 13 21.341 8.235 14.171 1.00 18.48 H new ATOM 222 N THR A 14 16.147 4.340 16.050 1.00 14.89 N ATOM 223 CA THR A 14 16.813 3.246 16.802 1.00 13.37 C ATOM 224 C THR A 14 17.172 2.120 15.834 1.00 11.97 C ATOM 225 O THR A 14 16.523 1.924 14.826 1.00 10.76 O ATOM 226 CB THR A 14 15.867 2.710 17.876 1.00 13.68 C ATOM 227 OG1 THR A 14 15.556 3.748 18.794 1.00 13.48 O ATOM 228 CG2 THR A 14 16.539 1.553 18.615 1.00 9.24 C ATOM 0 H THR A 14 15.521 4.036 15.304 1.00 14.89 H new ATOM 0 HA THR A 14 17.717 3.627 17.277 1.00 13.37 H new ATOM 0 HB THR A 14 14.949 2.355 17.409 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.948 3.405 19.482 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.865 1.170 19.381 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.774 0.757 17.908 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.458 1.905 19.083 1.00 9.24 H new ATOM 236 N THR A 15 18.200 1.379 16.131 1.00 13.20 N ATOM 237 CA THR A 15 18.594 0.268 15.225 1.00 12.54 C ATOM 238 C THR A 15 17.724 -0.954 15.519 1.00 14.34 C ATOM 239 O THR A 15 17.845 -1.582 16.552 1.00 17.35 O ATOM 240 CB THR A 15 20.064 -0.086 15.457 1.00 11.88 C ATOM 241 OG1 THR A 15 20.760 1.066 15.912 1.00 17.15 O ATOM 242 CG2 THR A 15 20.682 -0.576 14.147 1.00 8.30 C ATOM 0 H THR A 15 18.783 1.494 16.960 1.00 13.20 H new ATOM 0 HA THR A 15 18.456 0.576 14.189 1.00 12.54 H new ATOM 0 HB THR A 15 20.137 -0.873 16.207 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.702 0.841 16.063 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.730 -0.829 14.311 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.146 -1.459 13.800 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.612 0.210 13.395 1.00 8.30 H new ATOM 250 N ARG A 16 16.845 -1.293 14.620 1.00 15.28 N ATOM 251 CA ARG A 16 15.964 -2.472 14.847 1.00 15.21 C ATOM 252 C ARG A 16 15.995 -3.372 13.612 1.00 16.91 C ATOM 253 O ARG A 16 16.210 -2.918 12.506 1.00 17.29 O ATOM 254 CB ARG A 16 14.531 -1.999 15.096 1.00 15.77 C ATOM 255 CG ARG A 16 14.354 -1.663 16.579 1.00 21.61 C ATOM 256 CD ARG A 16 13.572 -2.783 17.268 1.00 24.15 C ATOM 257 NE ARG A 16 12.324 -2.225 17.862 1.00 30.82 N ATOM 258 CZ ARG A 16 11.365 -3.024 18.248 1.00 29.13 C ATOM 259 NH1 ARG A 16 11.496 -4.317 18.120 1.00 34.38 N ATOM 260 NH2 ARG A 16 10.274 -2.528 18.764 1.00 25.71 N ATOM 0 H ARG A 16 16.698 -0.805 13.737 1.00 15.28 H new ATOM 0 HA ARG A 16 16.318 -3.029 15.715 1.00 15.21 H new ATOM 0 HB2 ARG A 16 14.315 -1.122 14.485 1.00 15.77 H new ATOM 0 HB3 ARG A 16 13.824 -2.775 14.801 1.00 15.77 H new ATOM 0 HG2 ARG A 16 15.328 -1.540 17.053 1.00 21.61 H new ATOM 0 HG3 ARG A 16 13.825 -0.716 16.687 1.00 21.61 H new ATOM 0 HD2 ARG A 16 13.327 -3.565 16.550 1.00 24.15 H new ATOM 0 HD3 ARG A 16 14.183 -3.243 18.045 1.00 24.15 H new ATOM 0 HE ARG A 16 12.218 -1.216 17.967 1.00 30.82 H new ATOM 0 HH11 ARG A 16 12.349 -4.706 17.718 1.00 34.38 H new ATOM 0 HH12 ARG A 16 10.745 -4.938 18.422 1.00 34.38 H new ATOM 0 HH21 ARG A 16 10.171 -1.518 18.865 1.00 25.71 H new ATOM 0 HH22 ARG A 16 9.524 -3.150 19.066 1.00 25.71 H new ATOM 274 N SER A 17 15.784 -4.646 13.792 1.00 22.35 N ATOM 275 CA SER A 17 15.803 -5.572 12.625 1.00 28.62 C ATOM 276 C SER A 17 14.746 -5.132 11.612 1.00 31.32 C ATOM 277 O SER A 17 13.625 -4.819 11.962 1.00 33.90 O ATOM 278 CB SER A 17 15.498 -6.997 13.096 1.00 30.78 C ATOM 279 OG SER A 17 16.719 -7.700 13.285 1.00 38.77 O ATOM 0 H SER A 17 15.600 -5.085 14.694 1.00 22.35 H new ATOM 0 HA SER A 17 16.788 -5.549 12.158 1.00 28.62 H new ATOM 0 HB2 SER A 17 14.932 -6.971 14.027 1.00 30.78 H new ATOM 0 HB3 SER A 17 14.879 -7.511 12.361 1.00 30.78 H new ATOM 0 HG SER A 17 16.528 -8.612 13.588 1.00 38.77 H new ATOM 285 N GLY A 18 15.097 -5.103 10.357 1.00 32.28 N ATOM 286 CA GLY A 18 14.121 -4.681 9.315 1.00 32.82 C ATOM 287 C GLY A 18 14.111 -5.707 8.183 1.00 34.58 C ATOM 288 O GLY A 18 14.707 -6.761 8.284 1.00 34.04 O ATOM 0 H GLY A 18 16.021 -5.354 10.007 1.00 32.28 H new ATOM 0 HA2 GLY A 18 13.125 -4.592 9.749 1.00 32.82 H new ATOM 0 HA3 GLY A 18 14.389 -3.698 8.927 1.00 32.82 H new ATOM 292 N VAL A 19 13.451 -5.404 7.101 1.00 36.31 N ATOM 293 CA VAL A 19 13.415 -6.356 5.955 1.00 38.94 C ATOM 294 C VAL A 19 13.135 -5.569 4.678 1.00 39.44 C ATOM 295 O VAL A 19 12.139 -4.881 4.570 1.00 39.08 O ATOM 296 CB VAL A 19 12.313 -7.401 6.168 1.00 39.83 C ATOM 297 CG1 VAL A 19 12.769 -8.744 5.593 1.00 41.87 C ATOM 298 CG2 VAL A 19 12.028 -7.558 7.666 1.00 39.95 C ATOM 0 H VAL A 19 12.934 -4.536 6.960 1.00 36.31 H new ATOM 0 HA VAL A 19 14.372 -6.872 5.878 1.00 38.94 H new ATOM 0 HB VAL A 19 11.404 -7.074 5.662 1.00 39.83 H new ATOM 0 HG11 VAL A 19 11.987 -9.488 5.743 1.00 41.87 H new ATOM 0 HG12 VAL A 19 12.966 -8.635 4.527 1.00 41.87 H new ATOM 0 HG13 VAL A 19 13.679 -9.066 6.099 1.00 41.87 H new ATOM 0 HG21 VAL A 19 11.244 -8.302 7.811 1.00 39.95 H new ATOM 0 HG22 VAL A 19 12.935 -7.882 8.177 1.00 39.95 H new ATOM 0 HG23 VAL A 19 11.702 -6.602 8.076 1.00 39.95 H new ATOM 308 N SER A 20 14.009 -5.646 3.713 1.00 41.09 N ATOM 309 CA SER A 20 13.793 -4.882 2.455 1.00 44.70 C ATOM 310 C SER A 20 12.665 -5.524 1.644 1.00 47.21 C ATOM 311 O SER A 20 12.837 -5.857 0.488 1.00 47.07 O ATOM 312 CB SER A 20 15.080 -4.889 1.630 1.00 44.37 C ATOM 313 OG SER A 20 15.999 -5.811 2.201 1.00 46.57 O ATOM 0 H SER A 20 14.862 -6.204 3.742 1.00 41.09 H new ATOM 0 HA SER A 20 13.519 -3.856 2.700 1.00 44.70 H new ATOM 0 HB2 SER A 20 14.863 -5.166 0.598 1.00 44.37 H new ATOM 0 HB3 SER A 20 15.516 -3.890 1.607 1.00 44.37 H new ATOM 0 HG SER A 20 16.825 -5.819 1.673 1.00 46.57 H new ATOM 319 N ARG A 21 11.512 -5.699 2.234 1.00 50.78 N ATOM 320 CA ARG A 21 10.380 -6.323 1.483 1.00 55.55 C ATOM 321 C ARG A 21 10.716 -7.787 1.189 1.00 55.58 C ATOM 322 O ARG A 21 10.024 -8.691 1.613 1.00 54.47 O ATOM 323 CB ARG A 21 10.173 -5.573 0.166 1.00 59.49 C ATOM 324 CG ARG A 21 10.454 -4.085 0.378 1.00 60.53 C ATOM 325 CD ARG A 21 9.457 -3.255 -0.432 1.00 64.36 C ATOM 326 NE ARG A 21 10.179 -2.539 -1.522 1.00 68.68 N ATOM 327 CZ ARG A 21 9.512 -2.005 -2.511 1.00 71.11 C ATOM 328 NH1 ARG A 21 8.209 -2.094 -2.549 1.00 70.71 N ATOM 329 NH2 ARG A 21 10.149 -1.381 -3.463 1.00 71.56 N ATOM 0 H ARG A 21 11.304 -5.439 3.198 1.00 50.78 H new ATOM 0 HA ARG A 21 9.469 -6.270 2.079 1.00 55.55 H new ATOM 0 HB2 ARG A 21 10.836 -5.974 -0.601 1.00 59.49 H new ATOM 0 HB3 ARG A 21 9.152 -5.714 -0.189 1.00 59.49 H new ATOM 0 HG2 ARG A 21 10.374 -3.837 1.436 1.00 60.53 H new ATOM 0 HG3 ARG A 21 11.473 -3.849 0.071 1.00 60.53 H new ATOM 0 HD2 ARG A 21 8.687 -3.901 -0.854 1.00 64.36 H new ATOM 0 HD3 ARG A 21 8.952 -2.539 0.216 1.00 64.36 H new ATOM 0 HE ARG A 21 11.196 -2.466 -1.496 1.00 68.68 H new ATOM 0 HH11 ARG A 21 7.709 -2.581 -1.805 1.00 70.71 H new ATOM 0 HH12 ARG A 21 7.692 -1.676 -3.322 1.00 70.71 H new ATOM 0 HH21 ARG A 21 11.166 -1.310 -3.435 1.00 71.56 H new ATOM 0 HH22 ARG A 21 9.630 -0.964 -4.236 1.00 71.56 H new ATOM 343 N GLN A 22 11.777 -8.025 0.468 1.00 57.32 N ATOM 344 CA GLN A 22 12.166 -9.427 0.146 1.00 58.73 C ATOM 345 C GLN A 22 13.663 -9.473 -0.169 1.00 58.18 C ATOM 346 O GLN A 22 14.120 -10.292 -0.943 1.00 59.52 O ATOM 347 CB GLN A 22 11.375 -9.913 -1.071 1.00 62.32 C ATOM 348 CG GLN A 22 9.951 -9.356 -1.013 1.00 65.12 C ATOM 349 CD GLN A 22 9.176 -9.806 -2.253 1.00 66.38 C ATOM 350 OE1 GLN A 22 9.528 -9.459 -3.363 1.00 66.60 O ATOM 351 NE2 GLN A 22 8.126 -10.568 -2.110 1.00 65.96 N ATOM 0 H GLN A 22 12.393 -7.307 0.087 1.00 57.32 H new ATOM 0 HA GLN A 22 11.949 -10.071 0.998 1.00 58.73 H new ATOM 0 HB2 GLN A 22 11.866 -9.590 -1.989 1.00 62.32 H new ATOM 0 HB3 GLN A 22 11.350 -11.003 -1.090 1.00 62.32 H new ATOM 0 HG2 GLN A 22 9.449 -9.705 -0.111 1.00 65.12 H new ATOM 0 HG3 GLN A 22 9.977 -8.267 -0.962 1.00 65.12 H new ATOM 0 HE21 GLN A 22 7.830 -10.859 -1.178 1.00 65.96 H new ATOM 0 HE22 GLN A 22 7.601 -10.872 -2.930 1.00 65.96 H new ATOM 360 N GLY A 23 14.430 -8.598 0.423 1.00 55.49 N ATOM 361 CA GLY A 23 15.893 -8.588 0.158 1.00 50.89 C ATOM 362 C GLY A 23 16.650 -8.890 1.451 1.00 48.17 C ATOM 363 O GLY A 23 17.675 -8.301 1.732 1.00 50.32 O ATOM 0 H GLY A 23 14.104 -7.889 1.080 1.00 55.49 H new ATOM 0 HA2 GLY A 23 16.140 -9.329 -0.602 1.00 50.89 H new ATOM 0 HA3 GLY A 23 16.195 -7.617 -0.234 1.00 50.89 H new ATOM 367 N LYS A 24 16.150 -9.802 2.242 1.00 44.99 N ATOM 368 CA LYS A 24 16.838 -10.146 3.523 1.00 42.22 C ATOM 369 C LYS A 24 16.517 -9.072 4.567 1.00 42.41 C ATOM 370 O LYS A 24 16.054 -8.001 4.226 1.00 42.26 O ATOM 371 CB LYS A 24 18.352 -10.210 3.292 1.00 40.33 C ATOM 372 CG LYS A 24 18.634 -10.808 1.912 1.00 40.86 C ATOM 373 CD LYS A 24 19.895 -11.672 1.975 1.00 37.00 C ATOM 374 CE LYS A 24 20.151 -12.304 0.605 1.00 36.58 C ATOM 375 NZ LYS A 24 21.589 -12.677 0.489 1.00 34.22 N ATOM 0 H LYS A 24 15.294 -10.325 2.057 1.00 44.99 H new ATOM 0 HA LYS A 24 16.492 -11.116 3.879 1.00 42.22 H new ATOM 0 HB2 LYS A 24 18.784 -9.212 3.362 1.00 40.33 H new ATOM 0 HB3 LYS A 24 18.823 -10.816 4.066 1.00 40.33 H new ATOM 0 HG2 LYS A 24 17.785 -11.409 1.585 1.00 40.86 H new ATOM 0 HG3 LYS A 24 18.763 -10.012 1.179 1.00 40.86 H new ATOM 0 HD2 LYS A 24 20.750 -11.065 2.272 1.00 37.00 H new ATOM 0 HD3 LYS A 24 19.778 -12.450 2.730 1.00 37.00 H new ATOM 0 HE2 LYS A 24 19.524 -13.187 0.477 1.00 36.58 H new ATOM 0 HE3 LYS A 24 19.881 -11.604 -0.186 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 21.762 -13.106 -0.442 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 22.178 -11.826 0.593 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 21.832 -13.359 1.235 1.00 34.22 H new ATOM 389 N PRO A 25 16.766 -9.392 5.811 1.00 42.36 N ATOM 390 CA PRO A 25 16.506 -8.473 6.930 1.00 40.32 C ATOM 391 C PRO A 25 17.577 -7.381 6.994 1.00 36.91 C ATOM 392 O PRO A 25 18.755 -7.644 6.857 1.00 36.63 O ATOM 393 CB PRO A 25 16.556 -9.374 8.162 1.00 42.73 C ATOM 394 CG PRO A 25 17.374 -10.615 7.755 1.00 43.71 C ATOM 395 CD PRO A 25 17.331 -10.692 6.218 1.00 44.10 C ATOM 0 HA PRO A 25 15.555 -7.948 6.838 1.00 40.32 H new ATOM 0 HB2 PRO A 25 17.022 -8.859 9.002 1.00 42.73 H new ATOM 0 HB3 PRO A 25 15.552 -9.656 8.479 1.00 42.73 H new ATOM 0 HG2 PRO A 25 18.402 -10.534 8.109 1.00 43.71 H new ATOM 0 HG3 PRO A 25 16.954 -11.517 8.199 1.00 43.71 H new ATOM 0 HD2 PRO A 25 18.325 -10.844 5.798 1.00 44.10 H new ATOM 0 HD3 PRO A 25 16.711 -11.521 5.877 1.00 44.10 H new ATOM 403 N TYR A 26 17.172 -6.158 7.197 1.00 32.09 N ATOM 404 CA TYR A 26 18.156 -5.046 7.265 1.00 27.86 C ATOM 405 C TYR A 26 17.985 -4.289 8.584 1.00 26.29 C ATOM 406 O TYR A 26 16.890 -4.124 9.078 1.00 28.07 O ATOM 407 CB TYR A 26 17.930 -4.092 6.086 1.00 23.99 C ATOM 408 CG TYR A 26 16.571 -3.424 6.191 1.00 24.09 C ATOM 409 CD1 TYR A 26 16.326 -2.489 7.202 1.00 24.19 C ATOM 410 CD2 TYR A 26 15.569 -3.723 5.258 1.00 24.63 C ATOM 411 CE1 TYR A 26 15.080 -1.856 7.286 1.00 24.77 C ATOM 412 CE2 TYR A 26 14.323 -3.087 5.340 1.00 24.84 C ATOM 413 CZ TYR A 26 14.079 -2.156 6.355 1.00 24.25 C ATOM 414 OH TYR A 26 12.851 -1.531 6.436 1.00 29.25 O ATOM 0 H TYR A 26 16.198 -5.882 7.319 1.00 32.09 H new ATOM 0 HA TYR A 26 19.167 -5.451 7.213 1.00 27.86 H new ATOM 0 HB2 TYR A 26 18.713 -3.334 6.069 1.00 23.99 H new ATOM 0 HB3 TYR A 26 17.999 -4.642 5.148 1.00 23.99 H new ATOM 0 HD1 TYR A 26 17.099 -2.255 7.919 1.00 24.19 H new ATOM 0 HD2 TYR A 26 15.757 -4.444 4.476 1.00 24.63 H new ATOM 0 HE1 TYR A 26 14.891 -1.136 8.069 1.00 24.77 H new ATOM 0 HE2 TYR A 26 13.551 -3.316 4.620 1.00 24.84 H new ATOM 0 HH TYR A 26 12.272 -1.852 5.713 1.00 29.25 H new ATOM 424 N SER A 27 19.061 -3.822 9.155 1.00 24.52 N ATOM 425 CA SER A 27 18.958 -3.069 10.436 1.00 22.20 C ATOM 426 C SER A 27 19.053 -1.571 10.136 1.00 20.52 C ATOM 427 O SER A 27 20.094 -0.963 10.287 1.00 23.07 O ATOM 428 CB SER A 27 20.104 -3.478 11.363 1.00 25.30 C ATOM 429 OG SER A 27 21.015 -4.299 10.645 1.00 29.25 O ATOM 0 H SER A 27 20.007 -3.929 8.790 1.00 24.52 H new ATOM 0 HA SER A 27 18.008 -3.291 10.922 1.00 22.20 H new ATOM 0 HB2 SER A 27 20.615 -2.593 11.742 1.00 25.30 H new ATOM 0 HB3 SER A 27 19.714 -4.016 12.227 1.00 25.30 H new ATOM 0 HG SER A 27 21.752 -4.562 11.234 1.00 29.25 H new ATOM 435 N LEU A 28 17.979 -0.976 9.693 1.00 18.57 N ATOM 436 CA LEU A 28 18.015 0.478 9.363 1.00 16.31 C ATOM 437 C LEU A 28 17.428 1.299 10.515 1.00 14.21 C ATOM 438 O LEU A 28 16.385 0.980 11.052 1.00 16.97 O ATOM 439 CB LEU A 28 17.196 0.723 8.097 1.00 16.48 C ATOM 440 CG LEU A 28 18.041 1.492 7.079 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.401 0.567 5.915 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.241 2.687 6.554 1.00 22.01 C ATOM 0 H LEU A 28 17.079 -1.433 9.545 1.00 18.57 H new ATOM 0 HA LEU A 28 19.049 0.783 9.204 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.872 -0.227 7.672 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.296 1.288 8.338 1.00 16.48 H new ATOM 0 HG LEU A 28 18.954 1.847 7.556 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.003 1.113 5.189 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.969 -0.285 6.289 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.488 0.213 5.436 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.841 3.236 5.829 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.328 2.332 6.075 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.983 3.345 7.384 1.00 22.01 H new ATOM 454 N ASN A 29 18.091 2.359 10.893 1.00 11.64 N ATOM 455 CA ASN A 29 17.573 3.211 12.005 1.00 9.77 C ATOM 456 C ASN A 29 16.095 3.518 11.756 1.00 7.94 C ATOM 457 O ASN A 29 15.733 4.101 10.754 1.00 10.52 O ATOM 458 CB ASN A 29 18.357 4.536 12.103 1.00 14.73 C ATOM 459 CG ASN A 29 19.090 4.856 10.793 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.628 3.982 10.143 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.154 6.094 10.388 1.00 12.89 N ATOM 0 H ASN A 29 18.969 2.673 10.480 1.00 11.64 H new ATOM 0 HA ASN A 29 17.696 2.668 12.942 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.671 5.348 12.345 1.00 14.73 H new ATOM 0 HB3 ASN A 29 19.078 4.474 12.918 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.654 6.324 9.529 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.704 6.832 10.930 1.00 12.89 H new ATOM 468 N GLU A 30 15.237 3.131 12.660 1.00 8.58 N ATOM 469 CA GLU A 30 13.783 3.403 12.473 1.00 13.16 C ATOM 470 C GLU A 30 13.333 4.466 13.478 1.00 12.26 C ATOM 471 O GLU A 30 13.991 4.713 14.469 1.00 10.58 O ATOM 472 CB GLU A 30 12.989 2.115 12.704 1.00 14.93 C ATOM 473 CG GLU A 30 12.719 1.430 11.362 1.00 27.13 C ATOM 474 CD GLU A 30 11.618 0.382 11.536 1.00 33.28 C ATOM 475 OE1 GLU A 30 10.459 0.765 11.537 1.00 40.03 O ATOM 476 OE2 GLU A 30 11.952 -0.784 11.664 1.00 38.01 O ATOM 0 H GLU A 30 15.480 2.638 13.520 1.00 8.58 H new ATOM 0 HA GLU A 30 13.606 3.761 11.459 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.546 1.446 13.360 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.047 2.341 13.204 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.419 2.168 10.619 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.630 0.958 10.993 1.00 27.13 H new ATOM 483 N GLN A 31 12.217 5.098 13.233 1.00 10.34 N ATOM 484 CA GLN A 31 11.732 6.142 14.179 1.00 9.46 C ATOM 485 C GLN A 31 10.217 6.028 14.337 1.00 10.09 C ATOM 486 O GLN A 31 9.603 5.074 13.903 1.00 9.36 O ATOM 487 CB GLN A 31 12.074 7.534 13.632 1.00 7.25 C ATOM 488 CG GLN A 31 12.717 8.383 14.730 1.00 10.62 C ATOM 489 CD GLN A 31 11.869 9.636 14.955 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.662 9.551 15.071 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.449 10.803 15.014 1.00 12.39 N ATOM 0 H GLN A 31 11.622 4.937 12.421 1.00 10.34 H new ATOM 0 HA GLN A 31 12.215 5.998 15.146 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.754 7.444 12.785 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.171 8.022 13.265 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.792 7.809 15.654 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.731 8.662 14.444 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.462 10.875 14.917 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.890 11.644 15.157 1.00 12.39 H new ATOM 500 N LEU A 32 9.614 7.004 14.954 1.00 6.80 N ATOM 501 CA LEU A 32 8.139 6.976 15.145 1.00 10.34 C ATOM 502 C LEU A 32 7.594 8.392 14.958 1.00 9.02 C ATOM 503 O LEU A 32 8.298 9.365 15.139 1.00 11.15 O ATOM 504 CB LEU A 32 7.813 6.478 16.554 1.00 10.20 C ATOM 505 CG LEU A 32 8.194 5.001 16.671 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.146 4.811 17.854 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.931 4.165 16.892 1.00 15.89 C ATOM 0 H LEU A 32 10.083 7.825 15.337 1.00 6.80 H new ATOM 0 HA LEU A 32 7.682 6.305 14.418 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.357 7.065 17.294 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.751 6.609 16.761 1.00 10.20 H new ATOM 0 HG LEU A 32 8.687 4.679 15.754 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.417 3.759 17.937 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.045 5.406 17.697 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.654 5.133 18.772 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.201 3.112 16.975 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.438 4.487 17.809 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.253 4.300 16.049 1.00 15.89 H new ATOM 519 N CYS A 33 6.348 8.520 14.598 1.00 9.68 N ATOM 520 CA CYS A 33 5.764 9.872 14.403 1.00 8.10 C ATOM 521 C CYS A 33 4.273 9.791 14.691 1.00 6.34 C ATOM 522 O CYS A 33 3.767 8.756 15.066 1.00 8.02 O ATOM 523 CB CYS A 33 5.977 10.345 12.958 1.00 8.88 C ATOM 524 SG CYS A 33 7.560 9.732 12.328 1.00 13.84 S ATOM 0 H CYS A 33 5.709 7.743 14.430 1.00 9.68 H new ATOM 0 HA CYS A 33 6.249 10.581 15.074 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.163 9.988 12.327 1.00 8.88 H new ATOM 0 HB3 CYS A 33 5.958 11.434 12.917 1.00 8.88 H new ATOM 0 HG CYS A 33 8.441 9.744 13.284 1.00 13.84 H new ATOM 530 N TYR A 34 3.562 10.863 14.524 1.00 7.35 N ATOM 531 CA TYR A 34 2.105 10.818 14.800 1.00 7.08 C ATOM 532 C TYR A 34 1.339 11.434 13.633 1.00 7.71 C ATOM 533 O TYR A 34 1.291 12.638 13.478 1.00 7.80 O ATOM 534 CB TYR A 34 1.807 11.620 16.055 1.00 8.67 C ATOM 535 CG TYR A 34 1.957 10.752 17.281 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.896 9.938 17.701 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.146 10.787 18.014 1.00 12.44 C ATOM 538 CE1 TYR A 34 1.025 9.165 18.853 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.273 10.015 19.170 1.00 16.38 C ATOM 540 CZ TYR A 34 2.211 9.206 19.589 1.00 16.83 C ATOM 541 OH TYR A 34 2.338 8.443 20.732 1.00 21.14 O ATOM 0 H TYR A 34 3.922 11.764 14.210 1.00 7.35 H new ATOM 0 HA TYR A 34 1.799 9.781 14.934 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.484 12.472 16.119 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.794 12.021 16.007 1.00 8.67 H new ATOM 0 HD1 TYR A 34 -0.021 9.910 17.132 1.00 13.61 H new ATOM 0 HD2 TYR A 34 3.965 11.410 17.687 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.209 8.535 19.176 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.190 10.042 19.740 1.00 16.38 H new ATOM 0 HH TYR A 34 3.225 8.586 21.124 1.00 21.14 H new ATOM 551 N VAL A 35 0.737 10.626 12.812 1.00 9.44 N ATOM 552 CA VAL A 35 -0.024 11.183 11.660 1.00 10.66 C ATOM 553 C VAL A 35 -1.525 10.984 11.877 1.00 10.57 C ATOM 554 O VAL A 35 -1.996 9.879 12.055 1.00 8.31 O ATOM 555 CB VAL A 35 0.398 10.476 10.375 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.018 11.324 9.170 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.918 10.295 10.373 1.00 9.86 C ATOM 0 H VAL A 35 0.737 9.609 12.886 1.00 9.44 H new ATOM 0 HA VAL A 35 0.189 12.249 11.579 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.085 9.500 10.317 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.282 10.822 8.250 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.100 11.457 9.175 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.467 12.298 9.226 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.223 9.790 9.456 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.401 11.271 10.428 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.214 9.695 11.233 1.00 9.86 H new ATOM 567 N ASP A 36 -2.282 12.046 11.853 1.00 8.58 N ATOM 568 CA ASP A 36 -3.743 11.920 12.037 1.00 11.48 C ATOM 569 C ASP A 36 -4.380 11.669 10.672 1.00 12.38 C ATOM 570 O ASP A 36 -5.328 10.921 10.545 1.00 11.89 O ATOM 571 CB ASP A 36 -4.306 13.215 12.633 1.00 16.17 C ATOM 572 CG ASP A 36 -3.251 13.877 13.522 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.182 14.177 13.017 1.00 25.89 O ATOM 574 OD2 ASP A 36 -3.531 14.075 14.693 1.00 15.67 O ATOM 0 H ASP A 36 -1.944 12.998 11.713 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.963 11.095 12.715 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -4.601 13.896 11.834 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -5.202 12.999 13.215 1.00 16.17 H new ATOM 579 N LEU A 37 -3.854 12.293 9.649 1.00 13.17 N ATOM 580 CA LEU A 37 -4.413 12.110 8.281 1.00 18.47 C ATOM 581 C LEU A 37 -5.837 12.648 8.264 1.00 21.14 C ATOM 582 O LEU A 37 -6.123 13.682 7.693 1.00 24.24 O ATOM 583 CB LEU A 37 -4.423 10.622 7.916 1.00 15.81 C ATOM 584 CG LEU A 37 -3.221 9.922 8.553 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.709 8.930 9.613 1.00 14.72 C ATOM 586 CD2 LEU A 37 -2.445 9.167 7.470 1.00 20.01 C ATOM 0 H LEU A 37 -3.056 12.925 9.706 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.800 12.646 7.556 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -5.348 10.160 8.260 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.392 10.504 6.833 1.00 15.81 H new ATOM 0 HG LEU A 37 -2.573 10.663 9.021 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -2.852 8.431 10.067 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -4.267 9.464 10.382 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -4.356 8.187 9.146 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -1.587 8.666 7.919 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -3.096 8.426 7.006 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -2.099 9.871 6.713 1.00 20.01 H new ATOM 598 N GLY A 38 -6.728 11.955 8.902 1.00 20.70 N ATOM 599 CA GLY A 38 -8.133 12.406 8.953 1.00 23.91 C ATOM 600 C GLY A 38 -8.819 11.781 10.174 1.00 26.50 C ATOM 601 O GLY A 38 -10.009 11.538 10.170 1.00 31.02 O ATOM 0 H GLY A 38 -6.538 11.083 9.396 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.176 13.493 9.013 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.654 12.116 8.040 1.00 23.91 H new ATOM 605 N ASN A 39 -8.073 11.506 11.217 1.00 27.64 N ATOM 606 CA ASN A 39 -8.680 10.886 12.426 1.00 30.27 C ATOM 607 C ASN A 39 -8.719 11.896 13.576 1.00 26.79 C ATOM 608 O ASN A 39 -8.805 11.533 14.732 1.00 26.87 O ATOM 609 CB ASN A 39 -7.853 9.668 12.848 1.00 35.62 C ATOM 610 CG ASN A 39 -7.345 8.931 11.606 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.983 8.950 10.572 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.215 8.277 11.664 1.00 39.63 N ATOM 0 H ASN A 39 -7.071 11.686 11.279 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.698 10.576 12.190 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -7.011 9.984 13.464 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.460 8.998 13.457 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.869 7.783 10.842 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.679 8.261 12.532 1.00 39.63 H new ATOM 619 N GLU A 40 -8.663 13.159 13.267 1.00 25.15 N ATOM 620 CA GLU A 40 -8.703 14.200 14.339 1.00 23.81 C ATOM 621 C GLU A 40 -7.816 13.784 15.519 1.00 21.12 C ATOM 622 O GLU A 40 -8.024 14.205 16.639 1.00 19.86 O ATOM 623 CB GLU A 40 -10.143 14.371 14.826 1.00 27.22 C ATOM 624 CG GLU A 40 -11.015 14.879 13.676 1.00 34.87 C ATOM 625 CD GLU A 40 -11.875 16.046 14.164 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.892 15.787 14.787 1.00 42.34 O ATOM 627 OE2 GLU A 40 -11.503 17.179 13.907 1.00 39.54 O ATOM 0 H GLU A 40 -8.591 13.521 12.316 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.333 15.141 13.932 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.528 13.421 15.196 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.175 15.074 15.659 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.388 15.199 12.844 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.651 14.075 13.305 1.00 34.87 H new ATOM 634 N HIS A 41 -6.825 12.969 15.278 1.00 4.74 N ATOM 635 CA HIS A 41 -5.921 12.532 16.383 1.00 4.37 C ATOM 636 C HIS A 41 -4.621 12.013 15.770 1.00 3.48 C ATOM 637 O HIS A 41 -4.615 11.554 14.646 1.00 2.60 O ATOM 638 CB HIS A 41 -6.590 11.413 17.185 1.00 4.67 C ATOM 639 CG HIS A 41 -7.871 11.920 17.787 1.00 4.49 C ATOM 640 ND1 HIS A 41 -7.888 12.858 18.807 1.00 4.94 N ATOM 641 CD2 HIS A 41 -9.187 11.631 17.520 1.00 5.39 C ATOM 642 CE1 HIS A 41 -9.176 13.098 19.115 1.00 6.36 C ATOM 643 NE2 HIS A 41 -10.009 12.377 18.360 1.00 6.99 N ATOM 0 H HIS A 41 -6.601 12.585 14.360 1.00 4.74 H new ATOM 0 HA HIS A 41 -5.714 13.370 17.048 1.00 4.37 H new ATOM 0 HB2 HIS A 41 -6.793 10.560 16.538 1.00 4.67 H new ATOM 0 HB3 HIS A 41 -5.920 11.065 17.971 1.00 4.67 H new ATOM 0 HD2 HIS A 41 -9.531 10.932 16.772 1.00 5.39 H new ATOM 0 HE1 HIS A 41 -9.497 13.790 19.880 1.00 6.36 H new ATOM 0 HE2 HIS A 41 -11.028 12.374 18.392 1.00 6.99 H new ATOM 651 N PRO A 42 -3.553 12.107 16.517 1.00 15.11 N ATOM 652 CA PRO A 42 -2.236 11.658 16.048 1.00 16.08 C ATOM 653 C PRO A 42 -2.126 10.140 16.145 1.00 17.92 C ATOM 654 O PRO A 42 -2.503 9.541 17.132 1.00 17.13 O ATOM 655 CB PRO A 42 -1.264 12.316 17.019 1.00 16.41 C ATOM 656 CG PRO A 42 -2.061 12.604 18.303 1.00 13.79 C ATOM 657 CD PRO A 42 -3.549 12.660 17.888 1.00 16.28 C ATOM 0 HA PRO A 42 -2.046 11.921 15.007 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.418 11.660 17.226 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.859 13.236 16.599 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.894 11.825 19.047 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.747 13.546 18.752 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.174 12.071 18.559 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.932 13.680 17.909 1.00 16.28 H new ATOM 665 N VAL A 43 -1.599 9.516 15.137 1.00 16.29 N ATOM 666 CA VAL A 43 -1.449 8.041 15.181 1.00 14.28 C ATOM 667 C VAL A 43 0.037 7.701 15.245 1.00 9.00 C ATOM 668 O VAL A 43 0.799 8.045 14.365 1.00 7.99 O ATOM 669 CB VAL A 43 -2.082 7.413 13.934 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.411 8.106 13.622 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.137 7.557 12.736 1.00 20.57 C ATOM 0 H VAL A 43 -1.265 9.963 14.283 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.954 7.643 16.061 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.261 6.355 14.124 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.857 7.656 12.735 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.089 7.990 14.467 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.235 9.166 13.441 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.595 7.108 11.855 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.947 8.614 12.547 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.196 7.052 12.952 1.00 20.57 H new ATOM 681 N LEU A 44 0.459 7.042 16.285 1.00 10.19 N ATOM 682 CA LEU A 44 1.898 6.705 16.400 1.00 11.55 C ATOM 683 C LEU A 44 2.242 5.556 15.458 1.00 10.61 C ATOM 684 O LEU A 44 1.955 4.406 15.724 1.00 13.49 O ATOM 685 CB LEU A 44 2.225 6.304 17.831 1.00 10.60 C ATOM 686 CG LEU A 44 3.695 5.905 17.909 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.561 7.066 17.413 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.058 5.579 19.359 1.00 20.21 C ATOM 0 H LEU A 44 -0.129 6.724 17.056 1.00 10.19 H new ATOM 0 HA LEU A 44 2.486 7.581 16.128 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.023 7.132 18.510 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.592 5.474 18.144 1.00 10.60 H new ATOM 0 HG LEU A 44 3.870 5.028 17.286 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.613 6.785 17.467 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.301 7.299 16.381 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.387 7.942 18.038 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.108 5.294 19.416 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.886 6.456 19.983 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.439 4.755 19.713 1.00 20.21 H new ATOM 700 N VAL A 45 2.870 5.867 14.365 1.00 10.81 N ATOM 701 CA VAL A 45 3.260 4.816 13.395 1.00 9.29 C ATOM 702 C VAL A 45 4.769 4.675 13.414 1.00 9.95 C ATOM 703 O VAL A 45 5.462 5.383 14.121 1.00 9.36 O ATOM 704 CB VAL A 45 2.828 5.226 11.996 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.302 5.266 11.925 1.00 7.95 C ATOM 706 CG2 VAL A 45 3.393 6.615 11.680 1.00 10.20 C ATOM 0 H VAL A 45 3.133 6.816 14.099 1.00 10.81 H new ATOM 0 HA VAL A 45 2.783 3.874 13.664 1.00 9.29 H new ATOM 0 HB VAL A 45 3.204 4.505 11.270 1.00 4.64 H new ATOM 0 HG11 VAL A 45 0.992 5.560 10.922 1.00 7.95 H new ATOM 0 HG12 VAL A 45 0.901 4.279 12.154 1.00 7.95 H new ATOM 0 HG13 VAL A 45 0.923 5.988 12.648 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.086 6.913 10.678 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.014 7.335 12.405 1.00 10.20 H new ATOM 0 HG23 VAL A 45 4.481 6.586 11.732 1.00 10.20 H new ATOM 716 N LYS A 46 5.290 3.774 12.644 1.00 10.76 N ATOM 717 CA LYS A 46 6.758 3.605 12.630 1.00 12.81 C ATOM 718 C LYS A 46 7.339 4.180 11.338 1.00 13.35 C ATOM 719 O LYS A 46 6.919 3.845 10.248 1.00 12.90 O ATOM 720 CB LYS A 46 7.111 2.121 12.746 1.00 17.04 C ATOM 721 CG LYS A 46 6.368 1.511 13.936 1.00 26.60 C ATOM 722 CD LYS A 46 7.321 1.390 15.126 1.00 33.77 C ATOM 723 CE LYS A 46 7.932 -0.012 15.150 1.00 34.48 C ATOM 724 NZ LYS A 46 7.687 -0.638 16.480 1.00 36.74 N ATOM 0 H LYS A 46 4.768 3.151 12.028 1.00 10.76 H new ATOM 0 HA LYS A 46 7.185 4.140 13.478 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.840 1.599 11.828 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.187 2.001 12.875 1.00 17.04 H new ATOM 0 HG2 LYS A 46 5.514 2.133 14.203 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.976 0.529 13.669 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.108 2.140 15.053 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.785 1.581 16.056 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.494 -0.625 14.362 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.003 0.043 14.954 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.102 -1.591 16.497 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.124 -0.057 17.223 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.663 -0.703 16.650 1.00 36.74 H new ATOM 738 N ILE A 47 8.307 5.046 11.459 1.00 13.96 N ATOM 739 CA ILE A 47 8.929 5.654 10.256 1.00 16.93 C ATOM 740 C ILE A 47 10.341 5.081 10.084 1.00 16.52 C ATOM 741 O ILE A 47 10.902 4.512 11.000 1.00 17.67 O ATOM 742 CB ILE A 47 8.983 7.178 10.444 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.016 7.872 9.085 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.230 7.569 11.237 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.828 8.826 8.978 1.00 18.26 C ATOM 0 H ILE A 47 8.695 5.359 12.349 1.00 13.96 H new ATOM 0 HA ILE A 47 8.345 5.427 9.364 1.00 16.93 H new ATOM 0 HB ILE A 47 8.094 7.490 10.992 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.950 8.421 8.966 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.977 7.133 8.285 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.256 8.651 11.363 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.204 7.090 12.216 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.120 7.245 10.698 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.848 9.324 8.009 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.900 8.264 9.078 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.888 9.572 9.770 1.00 18.26 H new ATOM 757 N THR A 48 10.922 5.224 8.926 1.00 16.86 N ATOM 758 CA THR A 48 12.295 4.683 8.717 1.00 16.59 C ATOM 759 C THR A 48 13.316 5.814 8.849 1.00 19.04 C ATOM 760 O THR A 48 12.991 6.977 8.710 1.00 22.56 O ATOM 761 CB THR A 48 12.392 4.070 7.320 1.00 16.30 C ATOM 762 OG1 THR A 48 11.377 3.088 7.163 1.00 17.90 O ATOM 763 CG2 THR A 48 13.765 3.422 7.140 1.00 16.02 C ATOM 0 H THR A 48 10.509 5.690 8.118 1.00 16.86 H new ATOM 0 HA THR A 48 12.502 3.919 9.466 1.00 16.59 H new ATOM 0 HB THR A 48 12.260 4.850 6.570 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.739 2.319 6.675 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.833 2.985 6.144 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.542 4.177 7.259 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.900 2.641 7.889 1.00 16.02 H new ATOM 771 N LEU A 49 14.551 5.484 9.114 1.00 18.35 N ATOM 772 CA LEU A 49 15.591 6.539 9.253 1.00 18.82 C ATOM 773 C LEU A 49 16.802 6.172 8.391 1.00 20.06 C ATOM 774 O LEU A 49 17.573 5.295 8.727 1.00 18.35 O ATOM 775 CB LEU A 49 16.017 6.650 10.721 1.00 18.79 C ATOM 776 CG LEU A 49 16.088 8.119 11.121 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.096 8.850 10.229 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.705 8.757 10.960 1.00 14.50 C ATOM 0 H LEU A 49 14.883 4.528 9.240 1.00 18.35 H new ATOM 0 HA LEU A 49 15.187 7.496 8.924 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.306 6.123 11.358 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.988 6.176 10.866 1.00 18.79 H new ATOM 0 HG LEU A 49 16.407 8.196 12.160 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.144 9.900 10.518 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.080 8.397 10.345 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.782 8.774 9.188 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.754 9.808 11.246 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.387 8.678 9.921 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.989 8.240 11.599 1.00 14.50 H new ATOM 790 N ASP A 50 16.972 6.834 7.279 1.00 22.62 N ATOM 791 CA ASP A 50 18.130 6.522 6.392 1.00 27.04 C ATOM 792 C ASP A 50 19.400 6.394 7.236 1.00 27.73 C ATOM 793 O ASP A 50 19.600 7.122 8.188 1.00 26.65 O ATOM 794 CB ASP A 50 18.309 7.649 5.372 1.00 29.11 C ATOM 795 CG ASP A 50 18.676 7.054 4.012 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.768 6.763 3.250 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.859 6.900 3.755 1.00 33.99 O ATOM 0 H ASP A 50 16.359 7.578 6.946 1.00 22.62 H new ATOM 0 HA ASP A 50 17.944 5.584 5.870 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.390 8.229 5.291 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.090 8.333 5.704 1.00 29.11 H new ATOM 802 N GLU A 51 20.262 5.475 6.894 1.00 31.16 N ATOM 803 CA GLU A 51 21.518 5.304 7.678 1.00 34.22 C ATOM 804 C GLU A 51 22.359 6.577 7.570 1.00 34.98 C ATOM 805 O GLU A 51 23.020 6.814 6.578 1.00 34.19 O ATOM 806 CB GLU A 51 22.312 4.119 7.123 1.00 38.24 C ATOM 807 CG GLU A 51 23.254 3.585 8.204 1.00 46.84 C ATOM 808 CD GLU A 51 24.704 3.771 7.756 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.227 4.858 7.943 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.269 2.824 7.233 1.00 53.83 O ATOM 0 H GLU A 51 20.151 4.836 6.107 1.00 31.16 H new ATOM 0 HA GLU A 51 21.272 5.116 8.723 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.632 3.332 6.797 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.884 4.428 6.248 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.082 4.111 9.143 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.052 2.530 8.388 1.00 46.84 H new ATOM 817 N GLY A 52 22.336 7.400 8.581 1.00 34.53 N ATOM 818 CA GLY A 52 23.130 8.660 8.536 1.00 34.93 C ATOM 819 C GLY A 52 22.185 9.857 8.638 1.00 36.10 C ATOM 820 O GLY A 52 22.587 10.951 8.983 1.00 35.97 O ATOM 0 H GLY A 52 21.801 7.255 9.437 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.849 8.679 9.355 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.701 8.711 7.609 1.00 34.93 H new ATOM 824 N GLN A 53 20.929 9.659 8.343 1.00 36.52 N ATOM 825 CA GLN A 53 19.957 10.784 8.424 1.00 35.40 C ATOM 826 C GLN A 53 19.575 11.021 9.888 1.00 31.02 C ATOM 827 O GLN A 53 19.549 10.098 10.677 1.00 29.05 O ATOM 828 CB GLN A 53 18.703 10.435 7.620 1.00 41.20 C ATOM 829 CG GLN A 53 18.873 10.911 6.176 1.00 47.61 C ATOM 830 CD GLN A 53 17.531 10.819 5.447 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.516 10.532 6.051 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.482 11.053 4.164 1.00 54.76 N ATOM 0 H GLN A 53 20.535 8.765 8.049 1.00 36.52 H new ATOM 0 HA GLN A 53 20.410 11.687 8.014 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.532 9.359 7.641 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.828 10.905 8.068 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.237 11.938 6.161 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.619 10.301 5.666 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.333 11.294 3.657 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.592 10.995 3.669 1.00 54.76 H new ATOM 841 N PRO A 54 19.292 12.258 10.205 1.00 27.43 N ATOM 842 CA PRO A 54 18.907 12.661 11.568 1.00 23.44 C ATOM 843 C PRO A 54 17.446 12.298 11.845 1.00 20.14 C ATOM 844 O PRO A 54 16.548 12.749 11.162 1.00 21.64 O ATOM 845 CB PRO A 54 19.100 14.178 11.564 1.00 24.39 C ATOM 846 CG PRO A 54 19.033 14.618 10.086 1.00 27.18 C ATOM 847 CD PRO A 54 19.329 13.370 9.236 1.00 28.37 C ATOM 0 HA PRO A 54 19.493 12.163 12.341 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.325 14.670 12.152 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.058 14.450 12.008 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.050 15.024 9.848 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.760 15.405 9.884 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.586 13.238 8.449 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.301 13.441 8.748 1.00 28.37 H new ATOM 855 N ALA A 55 17.205 11.484 12.841 1.00 17.21 N ATOM 856 CA ALA A 55 15.809 11.085 13.171 1.00 15.58 C ATOM 857 C ALA A 55 14.861 12.274 12.999 1.00 16.41 C ATOM 858 O ALA A 55 15.203 13.402 13.292 1.00 13.65 O ATOM 859 CB ALA A 55 15.761 10.609 14.619 1.00 13.98 C ATOM 0 H ALA A 55 17.922 11.078 13.442 1.00 17.21 H new ATOM 0 HA ALA A 55 15.496 10.285 12.499 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.742 10.314 14.871 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.427 9.755 14.744 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.079 11.417 15.278 1.00 13.98 H new ATOM 865 N TYR A 56 13.668 12.024 12.531 1.00 15.93 N ATOM 866 CA TYR A 56 12.692 13.134 12.347 1.00 14.61 C ATOM 867 C TYR A 56 12.725 14.031 13.585 1.00 15.51 C ATOM 868 O TYR A 56 12.183 13.701 14.620 1.00 17.19 O ATOM 869 CB TYR A 56 11.285 12.553 12.150 1.00 12.92 C ATOM 870 CG TYR A 56 11.254 11.756 10.860 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.719 10.435 10.847 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.786 12.346 9.681 1.00 12.42 C ATOM 873 CE1 TYR A 56 11.715 9.705 9.655 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.779 11.612 8.488 1.00 11.47 C ATOM 875 CZ TYR A 56 11.244 10.292 8.476 1.00 10.29 C ATOM 876 OH TYR A 56 11.240 9.571 7.299 1.00 12.03 O ATOM 0 H TYR A 56 13.328 11.099 12.268 1.00 15.93 H new ATOM 0 HA TYR A 56 12.954 13.721 11.467 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.020 11.915 12.993 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.548 13.356 12.114 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.081 9.981 11.758 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.431 13.366 9.691 1.00 12.42 H new ATOM 0 HE1 TYR A 56 12.076 8.687 9.644 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.415 12.065 7.578 1.00 11.47 H new ATOM 0 HH TYR A 56 10.880 10.127 6.576 1.00 12.03 H new ATOM 886 N ALA A 57 13.371 15.162 13.487 1.00 13.38 N ATOM 887 CA ALA A 57 13.456 16.083 14.656 1.00 14.95 C ATOM 888 C ALA A 57 12.051 16.391 15.182 1.00 15.46 C ATOM 889 O ALA A 57 11.068 15.962 14.611 1.00 17.82 O ATOM 890 CB ALA A 57 14.134 17.385 14.226 1.00 14.98 C ATOM 0 H ALA A 57 13.845 15.488 12.645 1.00 13.38 H new ATOM 0 HA ALA A 57 14.037 15.608 15.446 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.198 18.061 15.079 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.137 17.169 13.859 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.551 17.854 13.434 1.00 14.98 H new ATOM 896 N PRO A 58 12.003 17.130 16.262 1.00 15.20 N ATOM 897 CA PRO A 58 10.736 17.524 16.903 1.00 16.55 C ATOM 898 C PRO A 58 10.091 18.681 16.136 1.00 16.75 C ATOM 899 O PRO A 58 10.592 19.788 16.131 1.00 17.28 O ATOM 900 CB PRO A 58 11.167 17.970 18.304 1.00 15.65 C ATOM 901 CG PRO A 58 12.664 18.345 18.202 1.00 14.16 C ATOM 902 CD PRO A 58 13.210 17.643 16.945 1.00 13.96 C ATOM 0 HA PRO A 58 9.997 16.723 16.925 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.575 18.822 18.640 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.015 17.171 19.030 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.788 19.425 18.127 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.205 18.023 19.091 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.762 18.336 16.310 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.894 16.835 17.205 1.00 13.96 H new ATOM 910 N GLY A 59 8.986 18.436 15.487 1.00 17.22 N ATOM 911 CA GLY A 59 8.320 19.528 14.722 1.00 15.08 C ATOM 912 C GLY A 59 7.118 18.970 13.957 1.00 14.96 C ATOM 913 O GLY A 59 6.991 17.780 13.775 1.00 13.79 O ATOM 0 H GLY A 59 8.517 17.531 15.453 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.995 20.315 15.403 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.027 19.980 14.026 1.00 15.08 H new ATOM 917 N LEU A 60 6.240 19.823 13.500 1.00 15.83 N ATOM 918 CA LEU A 60 5.054 19.341 12.733 1.00 14.53 C ATOM 919 C LEU A 60 5.542 18.594 11.492 1.00 14.15 C ATOM 920 O LEU A 60 6.522 18.978 10.887 1.00 13.27 O ATOM 921 CB LEU A 60 4.214 20.544 12.299 1.00 15.84 C ATOM 922 CG LEU A 60 2.736 20.264 12.564 1.00 16.91 C ATOM 923 CD1 LEU A 60 1.948 21.574 12.496 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.205 19.291 11.508 1.00 15.01 C ATOM 0 H LEU A 60 6.293 20.834 13.625 1.00 15.83 H new ATOM 0 HA LEU A 60 4.451 18.679 13.354 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.528 21.434 12.843 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.371 20.746 11.240 1.00 15.84 H new ATOM 0 HG LEU A 60 2.621 19.823 13.554 1.00 16.91 H new ATOM 0 HD11 LEU A 60 0.893 21.374 12.685 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.327 22.266 13.248 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.062 22.016 11.506 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.150 19.090 11.696 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.320 19.731 10.517 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.766 18.358 11.558 1.00 15.01 H new ATOM 936 N TYR A 61 4.886 17.534 11.097 1.00 11.12 N ATOM 937 CA TYR A 61 5.358 16.803 9.892 1.00 9.57 C ATOM 938 C TYR A 61 4.256 16.643 8.868 1.00 11.76 C ATOM 939 O TYR A 61 3.079 16.727 9.155 1.00 11.26 O ATOM 940 CB TYR A 61 5.873 15.421 10.272 1.00 9.42 C ATOM 941 CG TYR A 61 7.286 15.568 10.738 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.547 15.910 12.064 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.335 15.394 9.832 1.00 10.68 C ATOM 944 CE1 TYR A 61 8.865 16.082 12.489 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.654 15.561 10.255 1.00 13.03 C ATOM 946 CZ TYR A 61 9.917 15.908 11.582 1.00 11.06 C ATOM 947 OH TYR A 61 11.219 16.074 12.006 1.00 14.61 O ATOM 0 H TYR A 61 4.057 17.150 11.551 1.00 11.12 H new ATOM 0 HA TYR A 61 6.162 17.396 9.456 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.255 14.987 11.058 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.822 14.747 9.417 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.732 16.041 12.760 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.125 15.131 8.806 1.00 10.68 H new ATOM 0 HE1 TYR A 61 9.073 16.349 13.515 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.468 15.423 9.559 1.00 13.03 H new ATOM 0 HH TYR A 61 11.229 16.253 12.970 1.00 14.61 H new ATOM 957 N THR A 62 4.663 16.375 7.671 1.00 12.22 N ATOM 958 CA THR A 62 3.711 16.153 6.571 1.00 14.26 C ATOM 959 C THR A 62 4.342 15.119 5.666 1.00 15.40 C ATOM 960 O THR A 62 5.441 15.295 5.176 1.00 16.24 O ATOM 961 CB THR A 62 3.475 17.443 5.802 1.00 15.07 C ATOM 962 OG1 THR A 62 4.649 17.786 5.077 1.00 18.36 O ATOM 963 CG2 THR A 62 3.129 18.557 6.786 1.00 11.61 C ATOM 0 H THR A 62 5.645 16.299 7.404 1.00 12.22 H new ATOM 0 HA THR A 62 2.746 15.818 6.950 1.00 14.26 H new ATOM 0 HB THR A 62 2.651 17.309 5.102 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.023 16.982 4.660 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.959 19.485 6.240 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.227 18.289 7.336 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.954 18.694 7.485 1.00 11.61 H new ATOM 971 N VAL A 63 3.687 14.029 5.465 1.00 14.65 N ATOM 972 CA VAL A 63 4.292 12.981 4.618 1.00 15.17 C ATOM 973 C VAL A 63 4.717 13.589 3.288 1.00 14.24 C ATOM 974 O VAL A 63 4.387 14.714 2.968 1.00 19.13 O ATOM 975 CB VAL A 63 3.302 11.850 4.397 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.070 10.614 3.941 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.576 11.543 5.712 1.00 18.64 C ATOM 0 H VAL A 63 2.765 13.815 5.845 1.00 14.65 H new ATOM 0 HA VAL A 63 5.170 12.572 5.118 1.00 15.17 H new ATOM 0 HB VAL A 63 2.570 12.136 3.641 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.373 9.792 3.778 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.595 10.834 3.012 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.792 10.331 4.707 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.865 10.732 5.554 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.303 11.247 6.468 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.043 12.432 6.049 1.00 18.64 H new ATOM 987 N HIS A 64 5.462 12.857 2.519 1.00 13.31 N ATOM 988 CA HIS A 64 5.934 13.386 1.211 1.00 10.78 C ATOM 989 C HIS A 64 5.715 12.323 0.135 1.00 14.19 C ATOM 990 O HIS A 64 6.144 11.190 0.275 1.00 11.59 O ATOM 991 CB HIS A 64 7.427 13.716 1.310 1.00 11.86 C ATOM 992 CG HIS A 64 7.796 14.752 0.280 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.170 14.827 -0.955 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.738 15.751 0.281 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.738 15.832 -1.639 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.700 16.432 -0.933 1.00 20.65 N ATOM 0 H HIS A 64 5.768 11.909 2.738 1.00 13.31 H new ATOM 0 HA HIS A 64 5.379 14.288 0.952 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.661 14.085 2.309 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.018 12.813 1.157 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.407 15.975 1.099 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.452 16.121 -2.640 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.281 17.219 -1.221 1.00 20.65 H new ATOM 1004 N LEU A 65 5.055 12.672 -0.940 1.00 12.93 N ATOM 1005 CA LEU A 65 4.817 11.677 -2.018 1.00 14.44 C ATOM 1006 C LEU A 65 6.127 11.372 -2.747 1.00 12.66 C ATOM 1007 O LEU A 65 6.162 10.564 -3.654 1.00 10.20 O ATOM 1008 CB LEU A 65 3.775 12.216 -3.006 1.00 14.94 C ATOM 1009 CG LEU A 65 4.436 13.173 -3.981 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.552 12.497 -5.349 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.600 14.448 -4.108 1.00 19.03 C ATOM 0 H LEU A 65 4.673 13.602 -1.114 1.00 12.93 H new ATOM 0 HA LEU A 65 4.439 10.756 -1.575 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.314 11.391 -3.549 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.978 12.726 -2.465 1.00 14.94 H new ATOM 0 HG LEU A 65 5.429 13.435 -3.615 1.00 19.65 H new ATOM 0 HD11 LEU A 65 5.026 13.180 -6.053 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.155 11.593 -5.258 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.558 12.235 -5.711 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.081 15.130 -4.809 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.604 14.195 -4.472 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.519 14.928 -3.133 1.00 19.03 H new ATOM 1023 N SER A 66 7.214 11.984 -2.352 1.00 13.51 N ATOM 1024 CA SER A 66 8.499 11.679 -3.026 1.00 10.39 C ATOM 1025 C SER A 66 8.712 10.171 -2.941 1.00 8.56 C ATOM 1026 O SER A 66 9.460 9.585 -3.699 1.00 11.70 O ATOM 1027 CB SER A 66 9.641 12.405 -2.314 1.00 12.88 C ATOM 1028 OG SER A 66 10.185 11.555 -1.312 1.00 14.72 O ATOM 0 H SER A 66 7.262 12.672 -1.601 1.00 13.51 H new ATOM 0 HA SER A 66 8.478 12.007 -4.065 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.414 12.683 -3.031 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.276 13.329 -1.865 1.00 12.88 H new ATOM 0 HG SER A 66 10.919 12.016 -0.855 1.00 14.72 H new ATOM 1034 N SER A 67 8.043 9.543 -2.010 1.00 7.98 N ATOM 1035 CA SER A 67 8.175 8.073 -1.842 1.00 8.20 C ATOM 1036 C SER A 67 7.067 7.355 -2.620 1.00 11.02 C ATOM 1037 O SER A 67 7.221 6.221 -3.028 1.00 11.45 O ATOM 1038 CB SER A 67 8.051 7.724 -0.361 1.00 8.01 C ATOM 1039 OG SER A 67 9.169 8.252 0.340 1.00 11.22 O ATOM 0 H SER A 67 7.405 9.994 -1.354 1.00 7.98 H new ATOM 0 HA SER A 67 9.146 7.755 -2.222 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.126 8.133 0.045 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.004 6.643 -0.233 1.00 8.01 H new ATOM 0 HG SER A 67 9.488 7.592 0.991 1.00 11.22 H new ATOM 1045 N PHE A 68 5.945 7.996 -2.815 1.00 10.09 N ATOM 1046 CA PHE A 68 4.830 7.335 -3.550 1.00 11.79 C ATOM 1047 C PHE A 68 5.297 6.989 -4.961 1.00 12.69 C ATOM 1048 O PHE A 68 6.214 7.587 -5.488 1.00 14.25 O ATOM 1049 CB PHE A 68 3.619 8.276 -3.630 1.00 10.08 C ATOM 1050 CG PHE A 68 3.308 8.860 -2.268 1.00 11.89 C ATOM 1051 CD1 PHE A 68 3.961 8.395 -1.114 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.386 9.910 -2.168 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.691 8.983 0.126 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.115 10.491 -0.927 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.769 10.030 0.218 1.00 11.87 C ATOM 0 H PHE A 68 5.754 8.946 -2.498 1.00 10.09 H new ATOM 0 HA PHE A 68 4.539 6.427 -3.021 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.822 9.079 -4.339 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.752 7.731 -4.005 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.671 7.584 -1.184 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.883 10.271 -3.053 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.195 8.628 1.013 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.400 11.297 -0.853 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.562 10.483 1.176 1.00 11.87 H new ATOM 1065 N LYS A 69 4.676 6.026 -5.574 1.00 12.51 N ATOM 1066 CA LYS A 69 5.085 5.635 -6.952 1.00 15.38 C ATOM 1067 C LYS A 69 3.937 4.892 -7.636 1.00 15.02 C ATOM 1068 O LYS A 69 2.936 4.574 -7.024 1.00 15.36 O ATOM 1069 CB LYS A 69 6.313 4.723 -6.880 1.00 16.04 C ATOM 1070 CG LYS A 69 6.265 3.896 -5.593 1.00 20.35 C ATOM 1071 CD LYS A 69 7.094 2.624 -5.770 1.00 21.35 C ATOM 1072 CE LYS A 69 8.556 2.997 -6.021 1.00 30.24 C ATOM 1073 NZ LYS A 69 8.996 2.434 -7.328 1.00 32.70 N ATOM 0 H LYS A 69 3.901 5.490 -5.182 1.00 12.51 H new ATOM 0 HA LYS A 69 5.329 6.530 -7.525 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.340 4.063 -7.747 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.224 5.321 -6.906 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.651 4.481 -4.758 1.00 20.35 H new ATOM 0 HG3 LYS A 69 5.233 3.639 -5.352 1.00 20.35 H new ATOM 0 HD2 LYS A 69 7.015 1.999 -4.880 1.00 21.35 H new ATOM 0 HD3 LYS A 69 6.708 2.039 -6.605 1.00 21.35 H new ATOM 0 HE2 LYS A 69 8.670 4.081 -6.023 1.00 30.24 H new ATOM 0 HE3 LYS A 69 9.184 2.612 -5.217 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 9.990 2.688 -7.498 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 8.901 1.398 -7.309 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 8.404 2.822 -8.090 1.00 32.70 H new ATOM 1087 N VAL A 70 4.074 4.614 -8.903 1.00 13.65 N ATOM 1088 CA VAL A 70 2.991 3.892 -9.631 1.00 13.49 C ATOM 1089 C VAL A 70 3.329 2.402 -9.696 1.00 11.85 C ATOM 1090 O VAL A 70 4.265 1.996 -10.357 1.00 12.13 O ATOM 1091 CB VAL A 70 2.851 4.442 -11.055 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.370 4.636 -11.378 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.580 5.785 -11.182 1.00 15.63 C ATOM 0 H VAL A 70 4.889 4.855 -9.467 1.00 13.65 H new ATOM 0 HA VAL A 70 2.050 4.036 -9.100 1.00 13.49 H new ATOM 0 HB VAL A 70 3.294 3.733 -11.754 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.267 5.027 -12.390 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.853 3.679 -11.304 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.932 5.340 -10.670 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.472 6.163 -12.199 1.00 15.63 H new ATOM 0 HG22 VAL A 70 3.150 6.500 -10.481 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.638 5.648 -10.957 1.00 15.63 H new ATOM 1103 N GLY A 71 2.575 1.582 -9.016 1.00 11.15 N ATOM 1104 CA GLY A 71 2.853 0.118 -9.038 1.00 11.07 C ATOM 1105 C GLY A 71 2.130 -0.523 -10.226 1.00 12.15 C ATOM 1106 O GLY A 71 1.513 0.152 -11.025 1.00 12.70 O ATOM 0 H GLY A 71 1.778 1.863 -8.446 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.926 -0.058 -9.114 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.520 -0.340 -8.106 1.00 11.07 H new ATOM 1110 N GLN A 72 2.203 -1.821 -10.350 1.00 15.78 N ATOM 1111 CA GLN A 72 1.522 -2.500 -11.487 1.00 19.42 C ATOM 1112 C GLN A 72 0.098 -2.877 -11.077 1.00 16.97 C ATOM 1113 O GLN A 72 -0.435 -3.885 -11.497 1.00 20.46 O ATOM 1114 CB GLN A 72 2.292 -3.767 -11.875 1.00 22.64 C ATOM 1115 CG GLN A 72 3.774 -3.599 -11.534 1.00 25.29 C ATOM 1116 CD GLN A 72 4.074 -4.299 -10.207 1.00 26.29 C ATOM 1117 OE1 GLN A 72 5.195 -4.693 -9.954 1.00 26.22 O ATOM 1118 NE2 GLN A 72 3.111 -4.472 -9.342 1.00 25.15 N ATOM 0 H GLN A 72 2.705 -2.439 -9.713 1.00 15.78 H new ATOM 0 HA GLN A 72 1.491 -1.823 -12.341 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.883 -4.628 -11.346 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.175 -3.963 -12.941 1.00 22.64 H new ATOM 0 HG2 GLN A 72 4.391 -4.021 -12.328 1.00 25.29 H new ATOM 0 HG3 GLN A 72 4.024 -2.540 -11.464 1.00 25.29 H new ATOM 0 HE21 GLN A 72 2.170 -4.141 -9.554 1.00 25.15 H new ATOM 0 HE22 GLN A 72 3.300 -4.938 -8.454 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.520 -2.073 -10.261 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.911 -2.379 -9.821 1.00 14.60 C ATOM 1129 C PHE A 73 -2.851 -1.257 -10.270 1.00 15.63 C ATOM 1130 O PHE A 73 -3.966 -1.144 -9.801 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.948 -2.497 -8.296 1.00 12.63 C ATOM 1132 CG PHE A 73 -1.332 -3.810 -7.880 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -2.097 -4.982 -7.908 1.00 19.79 C ATOM 1134 CD2 PHE A 73 0.005 -3.857 -7.468 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -1.526 -6.201 -7.523 1.00 18.68 C ATOM 1136 CE2 PHE A 73 0.577 -5.076 -7.084 1.00 20.44 C ATOM 1137 CZ PHE A 73 -0.189 -6.248 -7.111 1.00 17.88 C ATOM 0 H PHE A 73 -0.123 -1.215 -9.878 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.233 -3.320 -10.267 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.405 -1.668 -7.843 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.977 -2.436 -7.940 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.128 -4.946 -8.227 1.00 19.79 H new ATOM 0 HD2 PHE A 73 0.595 -2.953 -7.446 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -2.117 -7.105 -7.544 1.00 18.68 H new ATOM 0 HE2 PHE A 73 1.609 -5.112 -6.767 1.00 20.44 H new ATOM 0 HZ PHE A 73 0.252 -7.188 -6.814 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.411 -0.428 -11.177 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.281 0.683 -11.657 1.00 13.44 C ATOM 1149 C GLY A 74 -3.735 1.535 -10.470 1.00 10.42 C ATOM 1150 O GLY A 74 -4.903 1.835 -10.321 1.00 13.62 O ATOM 0 H GLY A 74 -1.487 -0.472 -11.606 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.737 1.300 -12.372 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.148 0.279 -12.179 1.00 13.44 H new ATOM 1154 N SER A 75 -2.823 1.931 -9.625 1.00 12.64 N ATOM 1155 CA SER A 75 -3.206 2.766 -8.451 1.00 12.47 C ATOM 1156 C SER A 75 -1.943 3.277 -7.757 1.00 12.47 C ATOM 1157 O SER A 75 -0.976 2.558 -7.603 1.00 11.32 O ATOM 1158 CB SER A 75 -4.024 1.926 -7.469 1.00 11.21 C ATOM 1159 OG SER A 75 -4.046 0.575 -7.911 1.00 18.27 O ATOM 0 H SER A 75 -1.829 1.713 -9.697 1.00 12.64 H new ATOM 0 HA SER A 75 -3.804 3.612 -8.788 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.590 1.987 -6.471 1.00 11.21 H new ATOM 0 HB3 SER A 75 -5.040 2.314 -7.399 1.00 11.21 H new ATOM 0 HG SER A 75 -4.569 0.034 -7.283 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.942 4.512 -7.338 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.739 5.065 -6.655 1.00 12.18 C ATOM 1167 C LEU A 76 -0.228 4.053 -5.628 1.00 12.07 C ATOM 1168 O LEU A 76 -0.928 3.136 -5.246 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.106 6.370 -5.945 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.110 7.462 -6.339 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.629 8.206 -7.571 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.052 8.446 -5.177 1.00 7.80 C ATOM 0 H LEU A 76 -2.722 5.162 -7.439 1.00 12.43 H new ATOM 0 HA LEU A 76 0.039 5.261 -7.393 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -2.118 6.671 -6.215 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.094 6.225 -4.865 1.00 11.99 H new ATOM 0 HG LEU A 76 0.855 7.009 -6.569 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.081 8.984 -7.852 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.745 7.505 -8.398 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.593 8.660 -7.343 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.762 9.225 -5.456 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.912 8.899 -4.947 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.422 7.915 -4.300 1.00 7.80 H new ATOM 1184 N MET A 77 0.986 4.211 -5.178 1.00 14.08 N ATOM 1185 CA MET A 77 1.538 3.255 -4.176 1.00 14.12 C ATOM 1186 C MET A 77 2.626 3.940 -3.350 1.00 11.37 C ATOM 1187 O MET A 77 3.756 4.073 -3.775 1.00 11.44 O ATOM 1188 CB MET A 77 2.140 2.045 -4.891 1.00 16.48 C ATOM 1189 CG MET A 77 1.033 1.245 -5.580 1.00 24.75 C ATOM 1190 SD MET A 77 -0.058 0.521 -4.330 1.00 35.11 S ATOM 1191 CE MET A 77 -0.473 -0.987 -5.240 1.00 33.86 C ATOM 0 H MET A 77 1.619 4.959 -5.460 1.00 14.08 H new ATOM 0 HA MET A 77 0.732 2.928 -3.519 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.875 2.374 -5.626 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.666 1.413 -4.175 1.00 16.48 H new ATOM 0 HG2 MET A 77 0.462 1.893 -6.245 1.00 24.75 H new ATOM 0 HG3 MET A 77 1.468 0.459 -6.197 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.543 -1.004 -5.448 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.080 -1.009 -6.179 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.206 -1.858 -4.642 1.00 33.86 H new ATOM 1201 N ILE A 78 2.285 4.366 -2.169 1.00 11.78 N ATOM 1202 CA ILE A 78 3.283 5.040 -1.286 1.00 11.62 C ATOM 1203 C ILE A 78 4.630 4.310 -1.379 1.00 11.45 C ATOM 1204 O ILE A 78 5.629 4.870 -1.784 1.00 12.59 O ATOM 1205 CB ILE A 78 2.751 5.026 0.158 1.00 12.05 C ATOM 1206 CG1 ILE A 78 1.905 6.280 0.391 1.00 7.09 C ATOM 1207 CG2 ILE A 78 3.903 5.000 1.163 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.801 5.971 1.404 1.00 13.67 C ATOM 0 H ILE A 78 1.350 4.277 -1.771 1.00 11.78 H new ATOM 0 HA ILE A 78 3.433 6.072 -1.602 1.00 11.62 H new ATOM 0 HB ILE A 78 2.147 4.130 0.300 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.533 7.092 0.758 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.467 6.616 -0.549 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.502 4.991 2.176 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.505 4.106 1.003 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.524 5.885 1.027 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.199 6.864 1.570 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.167 5.172 1.019 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.249 5.656 2.346 1.00 13.67 H new ATOM 1220 N ASP A 79 4.647 3.069 -1.001 1.00 10.05 N ATOM 1221 CA ASP A 79 5.902 2.256 -1.048 1.00 14.79 C ATOM 1222 C ASP A 79 6.760 2.549 0.183 1.00 15.20 C ATOM 1223 O ASP A 79 7.233 1.653 0.855 1.00 18.10 O ATOM 1224 CB ASP A 79 6.683 2.595 -2.314 1.00 12.21 C ATOM 1225 CG ASP A 79 7.710 1.497 -2.594 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.530 0.402 -2.087 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.659 1.769 -3.310 1.00 21.87 O ATOM 0 H ASP A 79 3.830 2.567 -0.653 1.00 10.05 H new ATOM 0 HA ASP A 79 5.643 1.197 -1.056 1.00 14.79 H new ATOM 0 HB2 ASP A 79 6.001 2.693 -3.159 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.185 3.555 -2.197 1.00 12.21 H new ATOM 1232 N ARG A 80 6.956 3.795 0.482 1.00 17.08 N ATOM 1233 CA ARG A 80 7.775 4.170 1.673 1.00 17.14 C ATOM 1234 C ARG A 80 7.668 5.676 1.888 1.00 14.98 C ATOM 1235 O ARG A 80 8.617 6.418 1.739 1.00 16.47 O ATOM 1236 CB ARG A 80 9.236 3.775 1.454 1.00 17.78 C ATOM 1237 CG ARG A 80 10.051 4.147 2.693 1.00 22.76 C ATOM 1238 CD ARG A 80 10.287 2.900 3.547 1.00 28.43 C ATOM 1239 NE ARG A 80 9.483 2.996 4.798 1.00 33.10 N ATOM 1240 CZ ARG A 80 9.300 1.941 5.546 1.00 30.84 C ATOM 1241 NH1 ARG A 80 9.829 0.796 5.207 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.588 2.031 6.636 1.00 35.04 N ATOM 0 H ARG A 80 6.583 4.582 -0.049 1.00 17.08 H new ATOM 0 HA ARG A 80 7.405 3.644 2.553 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.311 2.704 1.263 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.635 4.284 0.576 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.005 4.582 2.396 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.523 4.903 3.274 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.007 2.006 2.990 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.346 2.807 3.789 1.00 28.43 H new ATOM 0 HE ARG A 80 9.074 3.889 5.071 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.387 0.724 4.356 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.684 -0.026 5.793 1.00 33.12 H new ATOM 0 HH21 ARG A 80 8.175 2.925 6.903 1.00 35.04 H new ATOM 0 HH22 ARG A 80 8.444 1.208 7.221 1.00 35.04 H new ATOM 1256 N LEU A 81 6.497 6.108 2.235 1.00 11.03 N ATOM 1257 CA LEU A 81 6.225 7.549 2.465 1.00 11.27 C ATOM 1258 C LEU A 81 7.438 8.262 3.082 1.00 15.61 C ATOM 1259 O LEU A 81 7.960 7.861 4.103 1.00 18.56 O ATOM 1260 CB LEU A 81 5.004 7.659 3.380 1.00 13.62 C ATOM 1261 CG LEU A 81 5.434 7.703 4.844 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.194 7.856 5.727 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.155 6.396 5.196 1.00 18.72 C ATOM 0 H LEU A 81 5.688 5.502 2.374 1.00 11.03 H new ATOM 0 HA LEU A 81 6.028 8.040 1.512 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.438 8.557 3.134 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.341 6.810 3.215 1.00 13.62 H new ATOM 0 HG LEU A 81 6.105 8.546 5.008 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.495 7.888 6.774 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.676 8.780 5.470 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.527 7.009 5.567 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.465 6.421 6.241 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.481 5.554 5.038 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.033 6.282 4.560 1.00 18.72 H new ATOM 1275 N ARG A 82 7.867 9.337 2.475 1.00 13.37 N ATOM 1276 CA ARG A 82 9.020 10.104 3.027 1.00 12.72 C ATOM 1277 C ARG A 82 8.468 11.234 3.898 1.00 13.33 C ATOM 1278 O ARG A 82 7.938 12.209 3.403 1.00 13.27 O ATOM 1279 CB ARG A 82 9.846 10.693 1.880 1.00 13.85 C ATOM 1280 CG ARG A 82 11.257 10.101 1.905 1.00 16.22 C ATOM 1281 CD ARG A 82 12.095 10.820 2.961 1.00 16.62 C ATOM 1282 NE ARG A 82 13.300 11.430 2.316 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.067 10.734 1.514 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.917 9.441 1.401 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.029 11.331 0.864 1.00 16.89 N ATOM 0 H ARG A 82 7.466 9.717 1.618 1.00 13.37 H new ATOM 0 HA ARG A 82 9.660 9.449 3.619 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.367 10.476 0.925 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.894 11.778 1.973 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.211 9.035 2.126 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.723 10.203 0.925 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.500 11.593 3.448 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.401 10.118 3.737 1.00 16.62 H new ATOM 0 HE ARG A 82 13.528 12.406 2.504 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.196 8.962 1.941 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.521 8.911 0.773 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.179 12.333 0.982 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.630 10.796 0.238 1.00 16.89 H new ATOM 1299 N LEU A 83 8.559 11.098 5.191 1.00 13.53 N ATOM 1300 CA LEU A 83 8.007 12.150 6.094 1.00 13.86 C ATOM 1301 C LEU A 83 8.876 13.405 6.078 1.00 13.02 C ATOM 1302 O LEU A 83 10.078 13.351 5.908 1.00 14.40 O ATOM 1303 CB LEU A 83 7.942 11.622 7.524 1.00 9.93 C ATOM 1304 CG LEU A 83 6.512 11.726 8.049 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.507 11.440 9.554 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.987 13.141 7.800 1.00 10.58 C ATOM 0 H LEU A 83 8.992 10.304 5.663 1.00 13.53 H new ATOM 0 HA LEU A 83 7.009 12.405 5.736 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.276 10.585 7.554 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.616 12.192 8.163 1.00 9.93 H new ATOM 0 HG LEU A 83 5.876 11.004 7.536 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.488 11.513 9.935 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.891 10.436 9.735 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.138 12.167 10.065 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.966 13.221 8.173 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.620 13.861 8.319 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.000 13.351 6.730 1.00 10.58 H new ATOM 1318 N VAL A 84 8.259 14.536 6.272 1.00 11.81 N ATOM 1319 CA VAL A 84 8.999 15.817 6.293 1.00 12.86 C ATOM 1320 C VAL A 84 8.255 16.782 7.222 1.00 14.98 C ATOM 1321 O VAL A 84 7.050 16.695 7.354 1.00 13.59 O ATOM 1322 CB VAL A 84 9.029 16.391 4.881 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.751 15.419 3.946 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.595 16.606 4.388 1.00 17.34 C ATOM 0 H VAL A 84 7.253 14.623 6.419 1.00 11.81 H new ATOM 0 HA VAL A 84 10.020 15.669 6.646 1.00 12.86 H new ATOM 0 HB VAL A 84 9.558 17.344 4.889 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.771 15.832 2.937 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.772 15.268 4.297 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.225 14.464 3.937 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.615 17.016 3.378 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.066 15.653 4.382 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.082 17.302 5.052 1.00 17.34 H new ATOM 1334 N PRO A 85 8.980 17.680 7.831 1.00 18.65 N ATOM 1335 CA PRO A 85 8.391 18.677 8.739 1.00 22.41 C ATOM 1336 C PRO A 85 7.400 19.570 7.977 1.00 25.70 C ATOM 1337 O PRO A 85 7.641 19.964 6.853 1.00 22.08 O ATOM 1338 CB PRO A 85 9.599 19.444 9.279 1.00 21.19 C ATOM 1339 CG PRO A 85 10.740 19.180 8.283 1.00 18.95 C ATOM 1340 CD PRO A 85 10.434 17.808 7.659 1.00 20.63 C ATOM 0 HA PRO A 85 7.808 18.244 9.552 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.384 20.510 9.354 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.865 19.101 10.279 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.782 19.957 7.520 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.707 19.175 8.787 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.720 17.770 6.608 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.972 17.006 8.165 1.00 20.63 H new ATOM 1348 N ALA A 86 6.276 19.870 8.576 1.00 31.74 N ATOM 1349 CA ALA A 86 5.249 20.711 7.892 1.00 39.94 C ATOM 1350 C ALA A 86 5.789 22.129 7.700 1.00 46.96 C ATOM 1351 O ALA A 86 6.060 22.835 8.651 1.00 49.29 O ATOM 1352 CB ALA A 86 3.982 20.755 8.751 1.00 39.70 C ATOM 0 H ALA A 86 6.024 19.566 9.517 1.00 31.74 H new ATOM 0 HA ALA A 86 5.016 20.283 6.917 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.228 21.368 8.257 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.597 19.744 8.884 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.217 21.185 9.725 1.00 39.70 H new ATOM 1358 N LYS A 87 5.947 22.554 6.476 1.00 51.78 N ATOM 1359 CA LYS A 87 6.469 23.927 6.226 1.00 55.12 C ATOM 1360 C LYS A 87 5.302 24.865 5.910 1.00 55.82 C ATOM 1361 O LYS A 87 5.195 25.888 6.567 1.00 58.05 O ATOM 1362 CB LYS A 87 7.436 23.899 5.039 1.00 52.96 C ATOM 1363 CG LYS A 87 8.872 24.065 5.541 1.00 55.49 C ATOM 1364 CD LYS A 87 9.471 22.689 5.840 1.00 56.64 C ATOM 1365 CE LYS A 87 10.029 22.083 4.552 1.00 58.91 C ATOM 1366 NZ LYS A 87 11.269 21.316 4.859 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.535 24.544 5.018 1.00 57.66 O ATOM 0 H LYS A 87 5.737 22.010 5.639 1.00 51.78 H new ATOM 0 HA LYS A 87 6.994 24.283 7.113 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.336 22.958 4.498 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.191 24.697 4.338 1.00 52.96 H new ATOM 0 HG2 LYS A 87 9.473 24.580 4.792 1.00 55.49 H new ATOM 0 HG3 LYS A 87 8.885 24.682 6.439 1.00 55.49 H new ATOM 0 HD2 LYS A 87 10.262 22.779 6.584 1.00 56.64 H new ATOM 0 HD3 LYS A 87 8.709 22.033 6.262 1.00 56.64 H new ATOM 0 HE2 LYS A 87 9.287 21.428 4.095 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.246 22.871 3.831 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 11.722 21.019 3.971 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 11.925 21.917 5.398 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 11.027 20.476 5.422 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 3.011 18.200 -3.282 1.00 42.32 N ATOM 1383 CA MET B 1 1.616 17.770 -3.584 1.00 40.89 C ATOM 1384 C MET B 1 1.639 16.670 -4.644 1.00 34.75 C ATOM 1385 O MET B 1 2.313 16.778 -5.649 1.00 33.97 O ATOM 1386 CB MET B 1 0.815 18.963 -4.112 1.00 48.45 C ATOM 1387 CG MET B 1 -0.517 18.475 -4.692 1.00 56.13 C ATOM 1388 SD MET B 1 -1.874 19.400 -3.930 1.00 64.91 S ATOM 1389 CE MET B 1 -1.335 21.051 -4.436 1.00 63.43 C ATOM 0 H1 MET B 1 3.027 19.224 -3.099 1.00 42.32 H new ATOM 0 H2 MET B 1 3.356 17.693 -2.442 1.00 42.32 H new ATOM 0 H3 MET B 1 3.624 17.984 -4.094 1.00 42.32 H new ATOM 0 HA MET B 1 1.151 17.392 -2.674 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.633 19.676 -3.308 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.386 19.486 -4.879 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.529 18.613 -5.773 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.639 17.408 -4.506 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.206 21.690 -4.579 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.695 21.477 -3.664 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.779 20.982 -5.371 1.00 63.43 H new ATOM 1401 N ILE B 2 0.897 15.619 -4.438 1.00 28.59 N ATOM 1402 CA ILE B 2 0.869 14.526 -5.448 1.00 24.58 C ATOM 1403 C ILE B 2 0.125 15.036 -6.681 1.00 19.29 C ATOM 1404 O ILE B 2 -1.032 14.737 -6.893 1.00 19.53 O ATOM 1405 CB ILE B 2 0.149 13.310 -4.874 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.660 13.029 -3.461 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.428 12.096 -5.758 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.456 12.399 -2.638 1.00 33.80 C ATOM 0 H ILE B 2 0.311 15.470 -3.617 1.00 28.59 H new ATOM 0 HA ILE B 2 1.884 14.233 -5.716 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.923 13.507 -4.841 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.521 12.361 -3.499 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.995 13.954 -2.992 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.085 11.224 -5.351 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.067 12.291 -6.768 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.501 11.905 -5.786 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.095 12.197 -1.630 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.303 13.083 -2.590 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.770 11.465 -3.105 1.00 33.80 H new ATOM 1420 N LYS B 3 0.780 15.833 -7.476 1.00 18.14 N ATOM 1421 CA LYS B 3 0.123 16.410 -8.683 1.00 16.66 C ATOM 1422 C LYS B 3 -0.273 15.317 -9.676 1.00 14.94 C ATOM 1423 O LYS B 3 0.297 14.245 -9.712 1.00 13.94 O ATOM 1424 CB LYS B 3 1.083 17.386 -9.364 1.00 16.94 C ATOM 1425 CG LYS B 3 0.839 18.800 -8.831 1.00 17.85 C ATOM 1426 CD LYS B 3 1.801 19.775 -9.513 1.00 19.63 C ATOM 1427 CE LYS B 3 1.436 21.208 -9.125 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.061 22.158 -10.088 1.00 32.72 N ATOM 0 H LYS B 3 1.752 16.113 -7.341 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.782 16.928 -8.365 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.115 17.088 -9.176 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.936 17.363 -10.444 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.192 19.098 -9.019 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.985 18.823 -7.751 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.827 19.557 -9.217 1.00 19.63 H new ATOM 0 HD3 LYS B 3 1.750 19.656 -10.595 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.353 21.332 -9.127 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.780 21.421 -8.113 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.813 23.133 -9.824 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.095 22.046 -10.065 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 1.712 21.959 -11.047 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.254 15.606 -10.488 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.723 14.627 -11.505 1.00 12.99 C ATOM 1444 C VAL B 4 -2.635 15.359 -12.502 1.00 14.26 C ATOM 1445 O VAL B 4 -3.098 16.451 -12.247 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.473 13.466 -10.809 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.054 13.932 -9.473 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.609 12.942 -11.701 1.00 10.41 C ATOM 0 H VAL B 4 -1.757 16.494 -10.488 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.876 14.201 -12.043 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.758 12.662 -10.632 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.578 13.104 -8.996 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.247 14.273 -8.824 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.751 14.752 -9.646 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.124 12.126 -11.193 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.315 13.748 -11.901 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.195 12.580 -12.642 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.878 14.768 -13.638 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.742 15.426 -14.663 1.00 10.51 C ATOM 1460 C GLU B 5 -4.698 14.404 -15.265 1.00 10.00 C ATOM 1461 O GLU B 5 -4.289 13.433 -15.866 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.860 15.999 -15.773 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.337 17.370 -15.349 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.360 17.894 -16.403 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.309 17.314 -17.475 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -0.680 18.866 -16.121 1.00 19.38 O ATOM 0 H GLU B 5 -2.514 13.853 -13.904 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.314 16.225 -14.192 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.027 15.326 -15.974 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.430 16.085 -16.698 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.167 18.066 -15.230 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.840 17.298 -14.382 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.972 14.620 -15.129 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.934 13.654 -15.730 1.00 10.60 C ATOM 1475 C ILE B 6 -6.978 13.923 -17.244 1.00 10.16 C ATOM 1476 O ILE B 6 -7.601 14.861 -17.699 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.330 13.805 -15.066 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.649 12.527 -14.285 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.425 14.028 -16.113 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.402 12.759 -12.792 1.00 13.81 C ATOM 0 H ILE B 6 -6.388 15.410 -14.636 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.619 12.625 -15.559 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.303 14.671 -14.404 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.687 12.237 -14.451 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.028 11.706 -14.643 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.389 14.130 -15.615 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.210 14.936 -16.677 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.456 13.177 -16.794 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.630 11.847 -12.240 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.358 13.028 -12.633 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.042 13.567 -12.439 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.298 13.119 -18.025 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.284 13.346 -19.497 1.00 11.59 C ATOM 1494 C LYS B 7 -7.706 13.618 -19.994 1.00 12.98 C ATOM 1495 O LYS B 7 -8.658 13.478 -19.251 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.718 12.103 -20.187 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.294 12.386 -20.681 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.493 13.122 -19.603 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.098 14.506 -20.117 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.950 15.544 -19.471 1.00 25.43 N ATOM 0 H LYS B 7 -5.754 12.318 -17.704 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.661 14.209 -19.730 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.712 11.262 -19.494 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.354 11.820 -21.026 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.798 11.450 -20.936 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.330 12.986 -21.590 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.087 13.216 -18.694 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.602 12.551 -19.344 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.047 14.698 -19.901 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.214 14.549 -21.200 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.349 16.315 -19.117 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.624 15.922 -20.167 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.472 15.120 -18.678 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.808 13.999 -21.243 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.103 14.300 -21.876 1.00 11.93 C ATOM 1516 C PRO B 8 -9.846 13.003 -22.176 1.00 10.20 C ATOM 1517 O PRO B 8 -11.060 12.963 -22.232 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.716 15.037 -23.162 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.256 14.633 -23.471 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.644 14.156 -22.140 1.00 13.61 C ATOM 0 HA PRO B 8 -9.769 14.893 -21.249 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.378 14.761 -23.983 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.802 16.116 -23.033 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.223 13.841 -24.219 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.697 15.477 -23.875 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.106 13.216 -22.263 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.932 14.881 -21.746 1.00 13.61 H new ATOM 1528 N SER B 9 -9.122 11.939 -22.350 1.00 10.65 N ATOM 1529 CA SER B 9 -9.772 10.631 -22.625 1.00 10.83 C ATOM 1530 C SER B 9 -10.094 9.947 -21.295 1.00 10.94 C ATOM 1531 O SER B 9 -10.636 8.860 -21.258 1.00 13.16 O ATOM 1532 CB SER B 9 -8.826 9.748 -23.440 1.00 13.01 C ATOM 1533 OG SER B 9 -7.743 10.536 -23.916 1.00 15.52 O ATOM 0 H SER B 9 -8.103 11.917 -22.314 1.00 10.65 H new ATOM 0 HA SER B 9 -10.690 10.788 -23.191 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.453 8.930 -22.824 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.360 9.299 -24.277 1.00 13.01 H new ATOM 0 HG SER B 9 -7.133 9.973 -24.438 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.766 10.580 -20.199 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.052 9.972 -18.871 1.00 11.55 C ATOM 1541 C GLN B 10 -10.968 10.900 -18.069 1.00 13.72 C ATOM 1542 O GLN B 10 -10.827 11.039 -16.871 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.745 9.774 -18.109 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.656 9.357 -19.090 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.922 7.931 -19.578 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.036 7.452 -19.508 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.940 7.230 -20.073 1.00 4.80 N ATOM 0 H GLN B 10 -9.312 11.493 -20.169 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.542 9.009 -19.014 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.462 10.696 -17.602 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.870 9.012 -17.339 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.633 10.043 -19.936 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.679 9.411 -18.609 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.005 7.633 -20.132 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.107 6.279 -20.402 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.898 11.547 -18.717 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.805 12.473 -17.979 1.00 18.95 C ATOM 1558 C ALA B 11 -14.146 11.790 -17.702 1.00 20.75 C ATOM 1559 O ALA B 11 -15.087 12.411 -17.249 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.039 13.732 -18.816 1.00 17.72 C ATOM 0 H ALA B 11 -12.069 11.476 -19.720 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.341 12.742 -17.030 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.702 14.409 -18.277 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.086 14.228 -19.001 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.496 13.457 -19.767 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.243 10.518 -17.966 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.519 9.801 -17.716 1.00 25.43 C ATOM 1568 C GLN B 12 -15.198 8.416 -17.133 1.00 22.80 C ATOM 1569 O GLN B 12 -14.290 7.744 -17.581 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.278 9.672 -19.048 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.044 8.351 -19.098 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.163 8.442 -20.139 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -19.184 7.796 -20.008 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -18.012 9.221 -21.174 1.00 47.90 N ATOM 0 H GLN B 12 -13.490 9.944 -18.345 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.142 10.345 -17.006 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.971 10.506 -19.162 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.576 9.725 -19.880 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.366 7.536 -19.349 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.464 8.126 -18.118 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -17.155 9.763 -21.284 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.751 9.288 -21.874 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.932 7.981 -16.141 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.657 6.649 -15.552 1.00 20.51 C ATOM 1585 C PHE B 13 -16.361 5.575 -16.372 1.00 18.83 C ATOM 1586 O PHE B 13 -17.119 5.863 -17.278 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.189 6.615 -14.125 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.633 7.064 -14.136 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.645 6.152 -14.452 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -17.956 8.394 -13.842 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -19.980 6.569 -14.473 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -19.290 8.811 -13.861 1.00 20.75 C ATOM 1593 CZ PHE B 13 -20.301 7.900 -14.177 1.00 18.48 C ATOM 0 H PHE B 13 -16.706 8.493 -15.719 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.583 6.464 -15.553 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.109 5.608 -13.716 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.595 7.267 -13.485 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.396 5.126 -14.680 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -17.174 9.098 -13.600 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -20.762 5.866 -14.717 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -19.539 9.837 -13.632 1.00 20.75 H new ATOM 0 HZ PHE B 13 -21.332 8.222 -14.193 1.00 18.48 H new ATOM 1603 N THR B 14 -16.123 4.337 -16.056 1.00 14.89 N ATOM 1604 CA THR B 14 -16.784 3.240 -16.807 1.00 13.37 C ATOM 1605 C THR B 14 -17.141 2.115 -15.838 1.00 11.97 C ATOM 1606 O THR B 14 -16.489 1.920 -14.831 1.00 10.76 O ATOM 1607 CB THR B 14 -15.834 2.704 -17.878 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.532 3.740 -18.803 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.498 1.539 -18.610 1.00 9.24 C ATOM 0 H THR B 14 -15.498 4.037 -15.308 1.00 14.89 H new ATOM 0 HA THR B 14 -17.688 3.618 -17.284 1.00 13.37 H new ATOM 0 HB THR B 14 -14.913 2.358 -17.409 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.922 3.398 -19.489 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.821 1.156 -19.374 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.728 0.746 -17.899 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.419 1.883 -19.081 1.00 9.24 H new ATOM 1617 N THR B 15 -18.168 1.373 -16.132 1.00 13.20 N ATOM 1618 CA THR B 15 -18.560 0.262 -15.224 1.00 12.54 C ATOM 1619 C THR B 15 -17.683 -0.956 -15.515 1.00 14.34 C ATOM 1620 O THR B 15 -17.795 -1.581 -16.551 1.00 17.35 O ATOM 1621 CB THR B 15 -20.027 -0.098 -15.457 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.727 1.048 -15.920 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.646 -0.583 -14.147 1.00 8.30 C ATOM 0 H THR B 15 -18.753 1.487 -16.960 1.00 13.20 H new ATOM 0 HA THR B 15 -18.427 0.572 -14.188 1.00 12.54 H new ATOM 0 HB THR B 15 -20.095 -0.889 -16.204 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.667 0.818 -16.071 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.692 -0.840 -14.312 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.108 -1.463 -13.794 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.580 0.207 -13.399 1.00 8.30 H new ATOM 1631 N ARG B 16 -16.811 -1.296 -14.610 1.00 15.28 N ATOM 1632 CA ARG B 16 -15.925 -2.472 -14.833 1.00 15.21 C ATOM 1633 C ARG B 16 -15.954 -3.369 -13.597 1.00 16.91 C ATOM 1634 O ARG B 16 -16.169 -2.913 -12.492 1.00 17.29 O ATOM 1635 CB ARG B 16 -14.493 -1.993 -15.083 1.00 15.77 C ATOM 1636 CG ARG B 16 -14.315 -1.663 -16.566 1.00 21.61 C ATOM 1637 CD ARG B 16 -13.528 -2.783 -17.249 1.00 24.15 C ATOM 1638 NE ARG B 16 -12.281 -2.222 -17.845 1.00 30.82 N ATOM 1639 CZ ARG B 16 -11.319 -3.019 -18.226 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -11.445 -4.312 -18.091 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -10.229 -2.521 -18.743 1.00 25.71 N ATOM 0 H ARG B 16 -16.673 -0.810 -13.724 1.00 15.28 H new ATOM 0 HA ARG B 16 -16.275 -3.033 -15.699 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -14.282 -1.113 -14.476 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -13.783 -2.764 -14.784 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -15.288 -1.546 -17.042 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -13.789 -0.715 -16.678 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -13.281 -3.561 -16.527 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -14.136 -3.249 -18.024 1.00 24.15 H new ATOM 0 HE ARG B 16 -12.179 -1.213 -17.955 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -12.297 -4.702 -17.687 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -10.692 -4.932 -18.390 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -10.130 -1.511 -18.849 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -9.476 -3.141 -19.041 1.00 25.71 H new ATOM 1655 N SER B 17 -15.741 -4.643 -13.774 1.00 22.35 N ATOM 1656 CA SER B 17 -15.758 -5.566 -12.606 1.00 28.62 C ATOM 1657 C SER B 17 -14.703 -5.121 -11.592 1.00 31.32 C ATOM 1658 O SER B 17 -13.582 -4.808 -11.942 1.00 33.90 O ATOM 1659 CB SER B 17 -15.448 -6.991 -13.073 1.00 30.78 C ATOM 1660 OG SER B 17 -16.667 -7.699 -13.259 1.00 38.77 O ATOM 0 H SER B 17 -15.556 -5.084 -14.675 1.00 22.35 H new ATOM 0 HA SER B 17 -16.744 -5.545 -12.141 1.00 28.62 H new ATOM 0 HB2 SER B 17 -14.883 -6.966 -14.005 1.00 30.78 H new ATOM 0 HB3 SER B 17 -14.827 -7.501 -12.337 1.00 30.78 H new ATOM 0 HG SER B 17 -16.473 -8.611 -13.560 1.00 38.77 H new ATOM 1666 N GLY B 18 -15.055 -5.089 -10.338 1.00 32.28 N ATOM 1667 CA GLY B 18 -14.081 -4.662 -9.296 1.00 32.82 C ATOM 1668 C GLY B 18 -14.071 -5.685 -8.161 1.00 34.58 C ATOM 1669 O GLY B 18 -14.663 -6.741 -8.261 1.00 34.04 O ATOM 0 H GLY B 18 -15.979 -5.341 -9.988 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -13.085 -4.573 -9.729 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -14.351 -3.678 -8.911 1.00 32.82 H new ATOM 1673 N VAL B 19 -13.415 -5.377 -7.078 1.00 36.31 N ATOM 1674 CA VAL B 19 -13.379 -6.326 -5.930 1.00 38.94 C ATOM 1675 C VAL B 19 -13.104 -5.535 -4.654 1.00 39.44 C ATOM 1676 O VAL B 19 -12.111 -4.843 -4.546 1.00 39.08 O ATOM 1677 CB VAL B 19 -12.273 -7.367 -6.139 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -12.725 -8.710 -5.560 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -11.987 -7.529 -7.636 1.00 39.95 C ATOM 0 H VAL B 19 -12.901 -4.507 -6.937 1.00 36.31 H new ATOM 0 HA VAL B 19 -14.335 -6.845 -5.853 1.00 38.94 H new ATOM 0 HB VAL B 19 -11.366 -7.035 -5.634 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -11.940 -9.452 -5.707 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -12.923 -8.598 -4.494 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -13.633 -9.037 -6.066 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -11.200 -8.270 -7.778 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -12.892 -7.859 -8.146 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -11.665 -6.574 -8.050 1.00 39.95 H new ATOM 1689 N SER B 20 -13.979 -5.613 -3.691 1.00 41.09 N ATOM 1690 CA SER B 20 -13.767 -4.845 -2.434 1.00 44.70 C ATOM 1691 C SER B 20 -12.639 -5.482 -1.619 1.00 47.21 C ATOM 1692 O SER B 20 -12.812 -5.813 -0.464 1.00 47.07 O ATOM 1693 CB SER B 20 -15.056 -4.854 -1.611 1.00 44.37 C ATOM 1694 OG SER B 20 -15.969 -5.783 -2.180 1.00 46.57 O ATOM 0 H SER B 20 -14.830 -6.174 -3.720 1.00 41.09 H new ATOM 0 HA SER B 20 -13.495 -3.819 -2.681 1.00 44.70 H new ATOM 0 HB2 SER B 20 -14.840 -5.125 -0.578 1.00 44.37 H new ATOM 0 HB3 SER B 20 -15.497 -3.857 -1.593 1.00 44.37 H new ATOM 0 HG SER B 20 -16.796 -5.793 -1.654 1.00 46.57 H new ATOM 1700 N ARG B 21 -11.485 -5.654 -2.207 1.00 50.78 N ATOM 1701 CA ARG B 21 -10.351 -6.273 -1.453 1.00 55.55 C ATOM 1702 C ARG B 21 -10.683 -7.737 -1.155 1.00 55.58 C ATOM 1703 O ARG B 21 -9.988 -8.640 -1.577 1.00 54.47 O ATOM 1704 CB ARG B 21 -10.148 -5.519 -0.138 1.00 59.49 C ATOM 1705 CG ARG B 21 -10.434 -4.031 -0.353 1.00 60.53 C ATOM 1706 CD ARG B 21 -9.440 -3.197 0.457 1.00 64.36 C ATOM 1707 NE ARG B 21 -10.165 -2.480 1.544 1.00 68.68 N ATOM 1708 CZ ARG B 21 -9.500 -1.943 2.533 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -8.198 -2.029 2.572 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -10.140 -1.318 3.483 1.00 71.56 N ATOM 0 H ARG B 21 -11.277 -5.395 -3.171 1.00 50.78 H new ATOM 0 HA ARG B 21 -9.440 -6.219 -2.049 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -10.810 -5.920 0.629 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -9.127 -5.656 0.218 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -10.354 -3.784 -1.412 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -11.454 -3.798 -0.047 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -8.670 -3.841 0.882 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -8.935 -2.481 -0.192 1.00 64.36 H new ATOM 0 HE ARG B 21 -11.182 -2.408 1.516 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -7.697 -2.516 1.829 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -7.682 -1.609 3.345 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -11.157 -1.249 3.453 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -9.623 -0.898 4.256 1.00 71.56 H new ATOM 1724 N GLN B 22 -11.743 -7.976 -0.435 1.00 57.32 N ATOM 1725 CA GLN B 22 -12.129 -9.378 -0.109 1.00 58.73 C ATOM 1726 C GLN B 22 -13.626 -9.428 0.204 1.00 58.18 C ATOM 1727 O GLN B 22 -14.082 -10.244 0.980 1.00 59.52 O ATOM 1728 CB GLN B 22 -11.337 -9.859 1.110 1.00 62.32 C ATOM 1729 CG GLN B 22 -9.915 -9.298 1.052 1.00 65.12 C ATOM 1730 CD GLN B 22 -9.140 -9.742 2.294 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -9.493 -9.392 3.402 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -8.091 -10.505 2.154 1.00 65.96 N ATOM 0 H GLN B 22 -12.361 -7.258 -0.057 1.00 57.32 H new ATOM 0 HA GLN B 22 -11.909 -10.024 -0.959 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -11.829 -9.535 2.027 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -11.308 -10.948 1.131 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -9.411 -9.648 0.151 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -9.944 -8.210 0.998 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -7.795 -10.799 1.223 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -7.567 -10.808 2.975 1.00 65.96 H new ATOM 1741 N GLY B 23 -14.395 -8.558 -0.393 1.00 55.49 N ATOM 1742 CA GLY B 23 -15.858 -8.551 -0.131 1.00 50.89 C ATOM 1743 C GLY B 23 -16.612 -8.858 -1.424 1.00 48.17 C ATOM 1744 O GLY B 23 -17.639 -8.273 -1.708 1.00 50.32 O ATOM 0 H GLY B 23 -14.070 -7.851 -1.052 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -16.105 -9.291 0.630 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -16.163 -7.580 0.258 1.00 50.89 H new ATOM 1748 N LYS B 24 -16.108 -9.771 -2.212 1.00 44.99 N ATOM 1749 CA LYS B 24 -16.793 -10.120 -3.494 1.00 42.22 C ATOM 1750 C LYS B 24 -16.474 -9.047 -4.539 1.00 42.41 C ATOM 1751 O LYS B 24 -16.016 -7.974 -4.200 1.00 42.26 O ATOM 1752 CB LYS B 24 -18.307 -10.186 -3.264 1.00 40.33 C ATOM 1753 CG LYS B 24 -18.590 -10.783 -1.883 1.00 40.86 C ATOM 1754 CD LYS B 24 -19.849 -11.650 -1.945 1.00 37.00 C ATOM 1755 CE LYS B 24 -20.104 -12.278 -0.574 1.00 36.58 C ATOM 1756 NZ LYS B 24 -21.541 -12.656 -0.460 1.00 34.22 N ATOM 0 H LYS B 24 -15.251 -10.291 -2.024 1.00 44.99 H new ATOM 0 HA LYS B 24 -16.443 -11.090 -3.848 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -18.740 -9.188 -3.336 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -18.777 -10.794 -4.037 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -17.740 -11.381 -1.554 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -18.721 -9.986 -1.151 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -20.705 -11.046 -2.245 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -19.730 -12.430 -2.697 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -19.474 -13.158 -0.442 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -19.838 -11.575 0.215 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -21.715 -13.083 0.472 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -22.133 -11.808 -0.568 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -21.780 -13.342 -1.205 1.00 34.22 H new ATOM 1770 N PRO B 25 -16.719 -9.371 -5.783 1.00 42.36 N ATOM 1771 CA PRO B 25 -16.460 -8.453 -6.904 1.00 40.32 C ATOM 1772 C PRO B 25 -17.535 -7.365 -6.972 1.00 36.91 C ATOM 1773 O PRO B 25 -18.712 -7.630 -6.833 1.00 36.63 O ATOM 1774 CB PRO B 25 -16.506 -9.358 -8.134 1.00 42.73 C ATOM 1775 CG PRO B 25 -17.320 -10.601 -7.726 1.00 43.71 C ATOM 1776 CD PRO B 25 -17.280 -10.674 -6.188 1.00 44.10 C ATOM 0 HA PRO B 25 -15.511 -7.925 -6.812 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -16.973 -8.847 -8.976 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -15.501 -9.638 -8.449 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -18.347 -10.525 -8.083 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -16.896 -11.503 -8.167 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -18.275 -10.828 -5.770 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -16.658 -11.501 -5.844 1.00 44.10 H new ATOM 1784 N TYR B 26 -17.134 -6.141 -7.180 1.00 32.09 N ATOM 1785 CA TYR B 26 -18.120 -5.033 -7.252 1.00 27.86 C ATOM 1786 C TYR B 26 -17.949 -4.279 -8.572 1.00 26.29 C ATOM 1787 O TYR B 26 -16.853 -4.110 -9.064 1.00 28.07 O ATOM 1788 CB TYR B 26 -17.898 -4.076 -6.074 1.00 23.99 C ATOM 1789 CG TYR B 26 -16.541 -3.403 -6.179 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -16.298 -2.469 -7.191 1.00 24.19 C ATOM 1791 CD2 TYR B 26 -15.539 -3.697 -5.244 1.00 24.63 C ATOM 1792 CE1 TYR B 26 -15.054 -1.832 -7.274 1.00 24.77 C ATOM 1793 CE2 TYR B 26 -14.296 -3.057 -5.326 1.00 24.84 C ATOM 1794 CZ TYR B 26 -14.053 -2.127 -6.341 1.00 24.25 C ATOM 1795 OH TYR B 26 -12.828 -1.497 -6.422 1.00 29.25 O ATOM 0 H TYR B 26 -16.161 -5.862 -7.303 1.00 32.09 H new ATOM 0 HA TYR B 26 -19.130 -5.440 -7.201 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -18.684 -3.321 -6.059 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -17.966 -4.625 -5.135 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -17.071 -2.239 -7.909 1.00 24.19 H new ATOM 0 HD2 TYR B 26 -15.725 -4.417 -4.461 1.00 24.63 H new ATOM 0 HE1 TYR B 26 -14.867 -1.113 -8.058 1.00 24.77 H new ATOM 0 HE2 TYR B 26 -13.525 -3.282 -4.604 1.00 24.84 H new ATOM 0 HH TYR B 26 -12.248 -1.815 -5.699 1.00 29.25 H new ATOM 1805 N SER B 27 -19.025 -3.817 -9.146 1.00 24.52 N ATOM 1806 CA SER B 27 -18.923 -3.066 -10.429 1.00 22.20 C ATOM 1807 C SER B 27 -19.022 -1.568 -10.131 1.00 20.52 C ATOM 1808 O SER B 27 -20.065 -0.963 -10.286 1.00 23.07 O ATOM 1809 CB SER B 27 -20.066 -3.480 -11.356 1.00 25.30 C ATOM 1810 OG SER B 27 -20.983 -4.294 -10.636 1.00 29.25 O ATOM 0 H SER B 27 -19.971 -3.927 -8.782 1.00 24.52 H new ATOM 0 HA SER B 27 -17.972 -3.286 -10.914 1.00 22.20 H new ATOM 0 HB2 SER B 27 -20.573 -2.597 -11.744 1.00 25.30 H new ATOM 0 HB3 SER B 27 -19.674 -4.025 -12.214 1.00 25.30 H new ATOM 0 HG SER B 27 -21.515 -3.733 -10.034 1.00 29.25 H new ATOM 1816 N LEU B 28 -17.951 -0.968 -9.688 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.991 0.486 -9.361 1.00 16.31 C ATOM 1818 C LEU B 28 -17.405 1.306 -10.514 1.00 14.21 C ATOM 1819 O LEU B 28 -16.359 0.991 -11.046 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.175 0.735 -8.094 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.023 1.504 -7.081 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.383 0.582 -5.913 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.228 2.703 -6.559 1.00 22.01 C ATOM 0 H LEU B 28 -17.050 -1.422 -9.538 1.00 18.57 H new ATOM 0 HA LEU B 28 -19.026 0.790 -9.204 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.850 -0.213 -7.666 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.275 1.301 -8.334 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.937 1.854 -7.561 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.988 1.130 -5.190 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.948 -0.273 -6.285 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.470 0.232 -5.431 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.831 3.253 -5.836 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.315 2.352 -6.078 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.971 3.359 -7.391 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.072 2.363 -10.896 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.555 3.213 -12.010 1.00 9.77 C ATOM 1837 C ASN B 29 -16.078 3.526 -11.758 1.00 7.94 C ATOM 1838 O ASN B 29 -15.720 4.110 -10.755 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.342 4.536 -12.111 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.078 4.856 -10.802 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.613 3.982 -10.151 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.146 6.095 -10.400 1.00 12.89 N ATOM 0 H ASN B 29 -18.952 2.675 -10.485 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.675 2.667 -12.946 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.658 5.350 -12.353 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -19.061 4.471 -12.927 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.647 6.326 -9.542 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.698 6.833 -10.944 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.217 3.140 -12.660 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.764 3.417 -12.470 1.00 13.16 C ATOM 1851 C GLU B 30 -13.316 4.479 -13.477 1.00 12.26 C ATOM 1852 O GLU B 30 -13.974 4.722 -14.469 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.966 2.131 -12.698 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.696 1.449 -11.355 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.588 0.408 -11.524 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -10.432 0.800 -11.540 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -11.913 -0.762 -11.635 1.00 38.01 O ATOM 0 H GLU B 30 -15.456 2.645 -13.519 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.590 3.777 -11.456 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.520 1.459 -13.354 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.024 2.359 -13.197 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.403 2.190 -10.611 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.605 0.972 -10.988 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.202 5.114 -13.232 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.719 6.157 -14.180 1.00 9.46 C ATOM 1866 C GLN B 31 -10.203 6.047 -14.337 1.00 10.09 C ATOM 1867 O GLN B 31 -9.587 5.095 -13.901 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.065 7.549 -13.637 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.711 8.393 -14.737 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.864 9.647 -14.966 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.658 9.563 -15.086 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.447 10.813 -15.027 1.00 12.39 N ATOM 0 H GLN B 31 -11.607 4.956 -12.419 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.201 6.009 -15.147 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.744 7.459 -12.789 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.163 8.041 -13.272 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.786 7.816 -15.659 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.725 8.671 -14.451 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.460 10.883 -14.926 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.890 11.655 -15.176 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.602 7.023 -14.954 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.127 6.999 -15.144 1.00 10.34 C ATOM 1883 C LEU B 32 -7.586 8.416 -14.961 1.00 9.02 C ATOM 1884 O LEU B 32 -8.292 9.388 -15.146 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.799 6.498 -16.552 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.174 5.020 -16.666 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.126 4.823 -17.848 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.907 4.189 -16.887 1.00 15.89 C ATOM 0 H LEU B 32 -10.073 7.842 -15.338 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.668 6.331 -14.415 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.345 7.081 -17.294 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.737 6.632 -16.759 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.665 4.698 -15.748 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.393 3.769 -17.929 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.028 5.415 -17.691 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.636 5.145 -18.767 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.173 3.135 -16.968 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.416 4.511 -17.805 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.229 4.328 -16.045 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.341 8.549 -14.599 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.761 9.903 -14.407 1.00 8.10 C ATOM 1902 C CYS B 33 -4.270 9.825 -14.692 1.00 6.34 C ATOM 1903 O CYS B 33 -3.760 8.791 -15.064 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.979 10.381 -12.965 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.559 9.763 -12.334 1.00 13.84 S ATOM 0 H CYS B 33 -5.700 7.775 -14.428 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.247 10.608 -15.081 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.164 10.031 -12.331 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -5.966 11.470 -12.929 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.416 9.689 -13.308 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.562 10.900 -14.526 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.104 10.858 -14.800 1.00 7.08 C ATOM 1913 C TYR B 34 -1.343 11.480 -13.632 1.00 7.71 C ATOM 1914 O TYR B 34 -1.299 12.684 -13.479 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.807 11.658 -16.057 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.952 10.786 -17.280 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.888 9.975 -17.697 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.140 10.815 -18.016 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -1.013 9.199 -18.848 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.263 10.039 -19.170 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.198 9.234 -19.585 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.320 8.467 -20.726 1.00 21.14 O ATOM 0 H TYR B 34 -3.925 11.801 -14.215 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.793 9.822 -14.932 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.487 12.507 -16.125 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.796 12.062 -16.008 1.00 8.67 H new ATOM 0 HD1 TYR B 34 0.029 9.951 -17.127 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -3.962 11.437 -17.692 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.195 8.572 -19.169 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.179 10.061 -19.741 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.207 8.605 -21.120 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.739 10.675 -12.808 1.00 9.44 N ATOM 1933 CA VAL B 35 0.019 11.237 -11.657 1.00 10.66 C ATOM 1934 C VAL B 35 1.520 11.041 -11.870 1.00 10.57 C ATOM 1935 O VAL B 35 1.994 9.936 -12.040 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.405 10.532 -10.370 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.006 11.385 -9.167 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.924 10.345 -10.371 1.00 9.86 C ATOM 0 H VAL B 35 -0.736 9.658 -12.879 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.196 12.303 -11.580 1.00 10.66 H new ATOM 0 HB VAL B 35 0.080 9.558 -10.308 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.295 10.885 -8.246 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.088 11.520 -9.169 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.481 12.358 -9.227 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.229 9.842 -9.453 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.410 11.319 -10.430 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.216 9.741 -11.230 1.00 9.86 H new ATOM 1948 N ASP B 36 2.274 12.105 -11.850 1.00 8.58 N ATOM 1949 CA ASP B 36 3.736 11.981 -12.031 1.00 11.48 C ATOM 1950 C ASP B 36 4.370 11.733 -10.664 1.00 12.38 C ATOM 1951 O ASP B 36 5.320 10.988 -10.534 1.00 11.89 O ATOM 1952 CB ASP B 36 4.298 13.276 -12.628 1.00 16.17 C ATOM 1953 CG ASP B 36 3.243 13.936 -13.519 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.173 14.236 -13.015 1.00 25.89 O ATOM 1955 OD2 ASP B 36 3.524 14.132 -14.690 1.00 15.67 O ATOM 0 H ASP B 36 1.933 13.057 -11.715 1.00 8.58 H new ATOM 0 HA ASP B 36 3.959 11.156 -12.707 1.00 11.48 H new ATOM 0 HB2 ASP B 36 4.592 13.958 -11.830 1.00 16.17 H new ATOM 0 HB3 ASP B 36 5.195 13.060 -13.209 1.00 16.17 H new ATOM 1960 N LEU B 37 3.842 12.360 -9.644 1.00 13.17 N ATOM 1961 CA LEU B 37 4.397 12.180 -8.274 1.00 18.47 C ATOM 1962 C LEU B 37 5.819 12.725 -8.254 1.00 21.14 C ATOM 1963 O LEU B 37 6.099 13.758 -7.680 1.00 24.24 O ATOM 1964 CB LEU B 37 4.412 10.693 -7.905 1.00 15.81 C ATOM 1965 CG LEU B 37 3.219 9.985 -8.549 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.721 8.994 -9.604 1.00 14.72 C ATOM 1967 CD2 LEU B 37 2.441 9.228 -7.469 1.00 20.01 C ATOM 0 H LEU B 37 3.044 12.993 -9.705 1.00 13.17 H new ATOM 0 HA LEU B 37 3.778 12.713 -7.552 1.00 18.47 H new ATOM 0 HB2 LEU B 37 5.342 10.235 -8.241 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.373 10.578 -6.822 1.00 15.81 H new ATOM 0 HG LEU B 37 2.569 10.720 -9.023 1.00 20.59 H new ATOM 0 HD11 LEU B 37 2.871 8.489 -10.063 1.00 14.72 H new ATOM 0 HD12 LEU B 37 4.281 9.531 -10.370 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.369 8.256 -9.131 1.00 14.72 H new ATOM 0 HD21 LEU B 37 1.589 8.721 -7.922 1.00 20.01 H new ATOM 0 HD22 LEU B 37 3.093 8.492 -6.999 1.00 20.01 H new ATOM 0 HD23 LEU B 37 2.086 9.931 -6.716 1.00 20.01 H new ATOM 1979 N GLY B 38 6.713 12.036 -8.893 1.00 20.70 N ATOM 1980 CA GLY B 38 8.118 12.491 -8.942 1.00 23.91 C ATOM 1981 C GLY B 38 8.808 11.865 -10.159 1.00 26.50 C ATOM 1982 O GLY B 38 10.000 11.627 -10.153 1.00 31.02 O ATOM 0 H GLY B 38 6.525 11.165 -9.390 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.159 13.578 -9.005 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.638 12.205 -8.027 1.00 23.91 H new ATOM 1986 N ASN B 39 8.066 11.585 -11.204 1.00 27.64 N ATOM 1987 CA ASN B 39 8.678 10.965 -12.410 1.00 30.27 C ATOM 1988 C ASN B 39 8.717 11.973 -13.562 1.00 26.79 C ATOM 1989 O ASN B 39 8.810 11.607 -14.717 1.00 26.87 O ATOM 1990 CB ASN B 39 7.855 9.743 -12.830 1.00 35.62 C ATOM 1991 CG ASN B 39 7.348 9.009 -11.586 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.986 9.032 -10.552 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.220 8.352 -11.642 1.00 39.63 N ATOM 0 H ASN B 39 7.063 11.761 -11.269 1.00 27.64 H new ATOM 0 HA ASN B 39 9.697 10.659 -12.172 1.00 30.27 H new ATOM 0 HB2 ASN B 39 7.013 10.055 -13.448 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.465 9.073 -13.436 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.876 7.859 -10.818 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.684 8.332 -12.510 1.00 39.63 H new ATOM 2000 N GLU B 40 8.654 13.237 -13.256 1.00 25.15 N ATOM 2001 CA GLU B 40 8.694 14.274 -14.330 1.00 23.81 C ATOM 2002 C GLU B 40 7.809 13.852 -15.511 1.00 21.12 C ATOM 2003 O GLU B 40 8.017 14.272 -16.631 1.00 19.86 O ATOM 2004 CB GLU B 40 10.135 14.446 -14.815 1.00 27.22 C ATOM 2005 CG GLU B 40 11.004 14.959 -13.666 1.00 34.87 C ATOM 2006 CD GLU B 40 11.861 16.128 -14.156 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.878 15.870 -14.778 1.00 42.34 O ATOM 2008 OE2 GLU B 40 11.485 17.260 -13.901 1.00 39.54 O ATOM 0 H GLU B 40 8.576 13.601 -12.306 1.00 25.15 H new ATOM 0 HA GLU B 40 8.322 15.216 -13.926 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.522 13.495 -15.181 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.168 15.146 -15.650 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.375 15.279 -12.835 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.642 14.158 -13.293 1.00 34.87 H new ATOM 2015 N HIS B 41 6.822 13.034 -15.269 1.00 4.72 N ATOM 2016 CA HIS B 41 5.920 12.592 -16.374 1.00 4.35 C ATOM 2017 C HIS B 41 4.622 12.070 -15.761 1.00 3.46 C ATOM 2018 O HIS B 41 4.616 11.613 -14.636 1.00 2.59 O ATOM 2019 CB HIS B 41 6.593 11.474 -17.174 1.00 4.65 C ATOM 2020 CG HIS B 41 7.875 11.983 -17.773 1.00 4.48 C ATOM 2021 ND1 HIS B 41 7.892 12.918 -18.796 1.00 4.93 N ATOM 2022 CD2 HIS B 41 9.190 11.699 -17.503 1.00 5.38 C ATOM 2023 CE1 HIS B 41 9.179 13.161 -19.101 1.00 6.36 C ATOM 2024 NE2 HIS B 41 10.012 12.444 -18.343 1.00 6.99 N ATOM 0 H HIS B 41 6.599 12.650 -14.351 1.00 4.72 H new ATOM 0 HA HIS B 41 5.711 13.429 -17.041 1.00 4.35 H new ATOM 0 HB2 HIS B 41 6.796 10.621 -16.526 1.00 4.65 H new ATOM 0 HB3 HIS B 41 5.926 11.124 -17.962 1.00 4.65 H new ATOM 0 HD2 HIS B 41 9.535 11.003 -16.753 1.00 5.38 H new ATOM 0 HE1 HIS B 41 9.500 13.852 -19.866 1.00 6.36 H new ATOM 0 HE2 HIS B 41 11.032 12.443 -18.373 1.00 6.99 H new ATOM 2032 N PRO B 42 3.554 12.158 -16.509 1.00 15.11 N ATOM 2033 CA PRO B 42 2.238 11.706 -16.040 1.00 16.08 C ATOM 2034 C PRO B 42 2.131 10.188 -16.134 1.00 17.92 C ATOM 2035 O PRO B 42 2.507 9.587 -17.121 1.00 17.13 O ATOM 2036 CB PRO B 42 1.264 12.360 -17.013 1.00 16.41 C ATOM 2037 CG PRO B 42 2.061 12.648 -18.298 1.00 13.79 C ATOM 2038 CD PRO B 42 3.549 12.709 -17.881 1.00 16.28 C ATOM 0 HA PRO B 42 2.047 11.970 -15.000 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.420 11.702 -17.219 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.856 13.280 -16.595 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.897 11.867 -19.041 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.745 13.588 -18.749 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.176 12.121 -18.551 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.929 13.730 -17.903 1.00 16.28 H new ATOM 2046 N VAL B 43 1.607 9.564 -15.123 1.00 16.29 N ATOM 2047 CA VAL B 43 1.461 8.088 -15.163 1.00 14.28 C ATOM 2048 C VAL B 43 -0.025 7.747 -15.232 1.00 9.00 C ATOM 2049 O VAL B 43 -0.791 8.091 -14.354 1.00 7.99 O ATOM 2050 CB VAL B 43 2.089 7.463 -13.913 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.418 8.156 -13.597 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.141 7.611 -12.718 1.00 20.57 C ATOM 0 H VAL B 43 1.273 10.012 -14.270 1.00 16.29 H new ATOM 0 HA VAL B 43 1.972 7.689 -16.039 1.00 14.28 H new ATOM 0 HB VAL B 43 2.267 6.404 -14.101 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.860 7.707 -12.707 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.099 8.038 -14.440 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.242 9.217 -13.419 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.597 7.164 -11.835 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.952 8.668 -12.533 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.200 7.106 -12.936 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.443 7.085 -16.271 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.881 6.744 -16.389 1.00 11.55 C ATOM 2064 C LEU B 44 -2.226 5.598 -15.445 1.00 10.61 C ATOM 2065 O LEU B 44 -1.935 4.447 -15.707 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.205 6.338 -17.819 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.672 5.933 -17.898 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.544 7.090 -17.403 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.033 5.604 -19.349 1.00 20.21 C ATOM 0 H LEU B 44 0.147 6.767 -17.040 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.471 7.621 -16.121 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.005 7.165 -18.500 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.568 5.509 -18.129 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.843 5.055 -17.275 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.594 6.804 -17.458 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.286 7.324 -16.370 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.374 7.967 -18.028 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.082 5.314 -19.406 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.864 6.481 -19.974 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.410 4.782 -19.702 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.857 5.910 -14.354 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.248 4.860 -13.383 1.00 9.29 C ATOM 2083 C VAL B 45 -4.755 4.713 -13.406 1.00 9.95 C ATOM 2084 O VAL B 45 -5.449 5.416 -14.117 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.821 5.273 -11.983 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.296 5.306 -11.904 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -3.384 6.664 -11.673 1.00 10.20 C ATOM 0 H VAL B 45 -3.122 6.859 -14.091 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.767 3.919 -13.650 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.203 4.556 -11.256 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -0.990 5.602 -10.901 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -0.899 4.316 -12.127 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -0.910 6.024 -12.628 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.080 6.964 -10.670 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.001 7.382 -12.398 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -4.472 6.637 -11.730 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.274 3.813 -12.632 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.742 3.639 -12.620 1.00 12.81 C ATOM 2099 C LYS B 46 -7.326 4.215 -11.330 1.00 13.35 C ATOM 2100 O LYS B 46 -6.907 3.883 -10.239 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.090 2.154 -12.732 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.340 1.542 -13.917 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.289 1.412 -15.110 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.894 0.007 -15.131 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.653 -0.619 -16.461 1.00 36.74 N ATOM 0 H LYS B 46 -4.750 3.195 -12.012 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.170 4.170 -13.470 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.821 1.636 -11.811 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.165 2.030 -12.865 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.488 2.167 -14.183 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.945 0.563 -13.645 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.080 2.159 -15.042 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.751 1.601 -16.039 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.450 -0.603 -14.344 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.964 0.057 -14.930 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.064 -1.574 -16.475 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.096 -0.040 -17.203 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.630 -0.680 -16.635 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.295 5.079 -11.453 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.921 5.688 -10.252 1.00 16.93 C ATOM 2121 C ILE B 47 -10.331 5.110 -10.080 1.00 16.52 C ATOM 2122 O ILE B 47 -10.888 4.535 -10.994 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.979 7.212 -10.444 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.017 7.908 -9.086 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.226 7.596 -11.240 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.835 8.867 -8.979 1.00 18.26 C ATOM 0 H ILE B 47 -8.682 5.390 -12.344 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.338 5.466 -9.358 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.090 7.527 -10.991 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.954 8.453 -8.969 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.975 7.170 -8.285 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.256 8.678 -11.370 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.197 7.114 -12.217 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.116 7.270 -10.702 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.858 9.366 -8.010 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.904 8.309 -9.077 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.898 9.612 -9.773 1.00 18.26 H new ATOM 2138 N THR B 48 -10.915 5.256 -8.924 1.00 16.86 N ATOM 2139 CA THR B 48 -12.285 4.711 -8.714 1.00 16.59 C ATOM 2140 C THR B 48 -13.311 5.838 -8.850 1.00 19.04 C ATOM 2141 O THR B 48 -12.990 7.001 -8.711 1.00 22.56 O ATOM 2142 CB THR B 48 -12.382 4.100 -7.316 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.364 3.122 -7.156 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.753 3.449 -7.135 1.00 16.02 C ATOM 0 H THR B 48 -10.505 5.727 -8.118 1.00 16.86 H new ATOM 0 HA THR B 48 -12.488 3.944 -9.461 1.00 16.59 H new ATOM 0 HB THR B 48 -12.254 4.882 -6.568 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.724 2.352 -6.667 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.820 3.014 -6.138 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.532 4.202 -7.256 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.886 2.666 -7.882 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.543 5.502 -9.120 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.587 6.554 -9.262 1.00 18.82 C ATOM 2154 C LEU B 49 -16.798 6.185 -8.400 1.00 20.06 C ATOM 2155 O LEU B 49 -17.565 5.305 -8.735 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.012 6.659 -10.731 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.087 8.128 -11.135 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.099 8.858 -10.247 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.706 8.770 -10.974 1.00 14.50 C ATOM 0 H LEU B 49 -14.871 4.545 -9.248 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.187 7.513 -8.934 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.299 6.132 -11.365 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.981 6.181 -10.875 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.405 8.202 -12.175 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.149 9.907 -10.539 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.082 8.401 -10.364 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.787 8.786 -9.205 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.757 9.820 -11.262 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.389 8.694 -9.934 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.988 8.253 -11.611 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.972 6.851 -7.290 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.130 6.538 -6.405 1.00 27.04 C ATOM 2173 C ASP B 50 -19.399 6.405 -7.249 1.00 27.73 C ATOM 2174 O ASP B 50 -19.601 7.132 -8.200 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.312 7.666 -5.386 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.678 7.072 -4.025 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.770 6.788 -3.261 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.860 6.913 -3.769 1.00 33.99 O ATOM 0 H ASP B 50 -16.362 7.598 -6.958 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.943 5.600 -5.882 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.394 8.249 -5.305 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.094 8.348 -5.719 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.256 5.481 -6.908 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.511 5.305 -7.693 1.00 34.22 C ATOM 2185 C GLU B 51 -22.356 6.575 -7.589 1.00 34.98 C ATOM 2186 O GLU B 51 -23.023 6.809 -6.600 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.301 4.118 -7.137 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.241 3.580 -8.217 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.692 3.764 -7.770 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.216 4.850 -7.958 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.256 2.817 -7.247 1.00 53.83 O ATOM 0 H GLU B 51 -20.142 4.842 -6.121 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.263 5.116 -8.738 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.618 3.334 -6.811 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.874 4.426 -6.262 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.070 4.105 -9.157 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.037 2.525 -8.399 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.331 7.399 -8.600 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.130 8.656 -8.557 1.00 34.93 C ATOM 2200 C GLY B 52 -22.190 9.856 -8.661 1.00 36.10 C ATOM 2201 O GLY B 52 -22.596 10.948 -9.006 1.00 35.97 O ATOM 0 H GLY B 52 -21.792 7.256 -9.454 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.850 8.671 -9.376 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.701 8.706 -7.630 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.933 9.662 -8.367 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.965 10.791 -8.451 1.00 35.40 C ATOM 2207 C GLN B 53 -19.582 11.026 -9.915 1.00 31.02 C ATOM 2208 O GLN B 53 -19.552 10.100 -10.702 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.711 10.450 -7.644 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.886 10.929 -6.202 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.547 10.840 -5.468 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.530 10.555 -6.067 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.503 11.076 -4.185 1.00 54.76 N ATOM 0 H GLN B 53 -20.535 8.770 -8.072 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.423 11.693 -8.045 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.535 9.374 -7.662 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.837 10.923 -8.092 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.251 11.956 -6.191 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.633 10.319 -5.693 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.357 11.316 -3.681 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.615 11.021 -3.686 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.302 12.263 -10.235 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.917 12.663 -11.599 1.00 23.44 C ATOM 2224 C PRO B 54 -17.454 12.303 -11.873 1.00 20.14 C ATOM 2225 O PRO B 54 -16.559 12.757 -11.189 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.114 14.178 -11.599 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.051 14.623 -10.123 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.344 13.377 -9.269 1.00 28.37 C ATOM 0 HA PRO B 54 -19.501 12.162 -12.371 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.340 14.671 -12.187 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.072 14.446 -12.045 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.070 15.033 -9.885 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.781 15.408 -9.925 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.602 13.250 -8.481 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.317 13.447 -8.782 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.209 11.488 -12.866 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.811 11.092 -13.192 1.00 15.58 C ATOM 2238 C ALA B 55 -14.867 12.283 -13.022 1.00 16.41 C ATOM 2239 O ALA B 55 -15.211 13.410 -13.318 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.759 10.612 -14.640 1.00 13.98 C ATOM 0 H ALA B 55 -17.924 11.078 -13.468 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.497 10.295 -12.517 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.739 10.319 -14.890 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.423 9.756 -14.764 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.078 11.417 -15.302 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.674 12.038 -12.552 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.702 13.152 -12.368 1.00 14.61 C ATOM 2248 C TYR B 56 -12.736 14.047 -13.608 1.00 15.51 C ATOM 2249 O TYR B 56 -12.188 13.718 -14.639 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.294 12.576 -12.167 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.263 11.783 -10.875 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.723 10.460 -10.859 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.799 12.377 -9.697 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -11.719 9.733 -9.665 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.792 11.647 -8.502 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.251 10.326 -8.487 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.247 9.608 -7.308 1.00 12.03 O ATOM 0 H TYR B 56 -13.331 11.114 -12.288 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.968 13.740 -11.490 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.026 11.936 -13.008 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.560 13.381 -12.132 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.081 10.002 -11.769 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.446 13.398 -9.709 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -12.077 8.714 -9.652 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.432 12.104 -7.592 1.00 11.47 H new ATOM 0 HH TYR B 56 -10.890 10.166 -6.586 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.388 15.174 -13.514 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.474 16.093 -14.685 1.00 14.95 C ATOM 2269 C ALA B 57 -12.068 16.402 -15.209 1.00 15.46 C ATOM 2270 O ALA B 57 -11.086 15.978 -14.634 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.156 17.394 -14.260 1.00 14.98 C ATOM 0 H ALA B 57 -13.866 15.499 -12.674 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.054 15.615 -15.475 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.220 18.067 -15.115 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.159 17.176 -13.894 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.576 17.867 -13.468 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.020 17.139 -16.291 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.752 17.533 -16.931 1.00 16.55 C ATOM 2279 C PRO B 58 -10.111 18.694 -16.166 1.00 16.75 C ATOM 2280 O PRO B 58 -10.614 19.800 -16.164 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.180 17.974 -18.333 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.679 18.347 -18.236 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.226 17.647 -16.978 1.00 13.96 C ATOM 0 HA PRO B 58 -10.012 16.733 -16.949 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.589 18.826 -18.669 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.025 17.173 -19.056 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.806 19.427 -18.164 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.218 18.021 -19.126 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.782 18.340 -16.346 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.907 16.837 -17.238 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.005 18.454 -15.515 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.343 19.549 -14.753 1.00 15.08 C ATOM 2293 C GLY B 59 -7.141 18.997 -13.986 1.00 14.96 C ATOM 2294 O GLY B 59 -7.008 17.807 -13.805 1.00 13.79 O ATOM 0 H GLY B 59 -8.533 17.550 -15.478 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.020 20.335 -15.436 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.052 20.001 -14.059 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.268 19.855 -13.526 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.082 19.378 -12.757 1.00 14.53 C ATOM 2300 C LEU B 60 -5.570 18.635 -11.515 1.00 14.15 C ATOM 2301 O LEU B 60 -6.551 19.018 -10.911 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.246 20.586 -12.326 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.767 20.308 -12.587 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -1.983 21.620 -12.518 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.237 19.339 -11.528 1.00 15.01 C ATOM 0 H LEU B 60 -6.326 20.866 -13.650 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.476 18.715 -13.374 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.562 21.473 -12.875 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.406 20.792 -11.268 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.648 19.866 -13.576 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -0.927 21.423 -12.704 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.362 22.310 -13.272 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.101 22.063 -11.529 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.181 19.140 -11.713 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.355 19.781 -10.539 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.797 18.405 -11.577 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.911 17.577 -11.116 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.383 16.848 -9.910 1.00 9.57 C ATOM 2319 C TYR B 61 -4.282 16.695 -8.884 1.00 11.76 C ATOM 2320 O TYR B 61 -3.104 16.782 -9.171 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.894 15.464 -10.287 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.307 15.605 -10.756 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.568 15.941 -12.083 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.357 15.431 -9.850 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.885 16.107 -12.511 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.675 15.592 -10.276 1.00 13.03 C ATOM 2327 CZ TYR B 61 -9.937 15.933 -11.605 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.240 16.094 -12.031 1.00 14.61 O ATOM 0 H TYR B 61 -4.080 17.194 -11.567 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.190 17.439 -9.477 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.274 15.029 -11.071 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.842 14.792 -9.430 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.752 16.073 -12.778 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.148 15.172 -8.822 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -9.092 16.369 -13.538 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.490 15.454 -9.581 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.245 16.494 -12.925 1.00 14.61 H new ATOM 2338 N THR B 62 -4.689 16.428 -7.687 1.00 12.22 N ATOM 2339 CA THR B 62 -3.739 16.212 -6.585 1.00 14.26 C ATOM 2340 C THR B 62 -4.368 15.178 -5.678 1.00 15.40 C ATOM 2341 O THR B 62 -5.469 15.351 -5.192 1.00 16.24 O ATOM 2342 CB THR B 62 -3.508 17.506 -5.819 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.684 17.847 -5.097 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.166 18.618 -6.806 1.00 11.61 C ATOM 0 H THR B 62 -5.671 16.349 -7.422 1.00 12.22 H new ATOM 0 HA THR B 62 -2.772 15.879 -6.961 1.00 14.26 H new ATOM 0 HB THR B 62 -2.684 17.377 -5.118 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.056 17.042 -4.679 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.999 19.548 -6.263 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.263 18.352 -7.355 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.991 18.750 -7.506 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.710 14.092 -5.472 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.312 13.043 -4.625 1.00 15.17 C ATOM 2354 C VAL B 63 -4.741 13.652 -3.296 1.00 14.24 C ATOM 2355 O VAL B 63 -4.412 14.778 -2.977 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.321 11.914 -4.401 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.087 10.679 -3.942 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.595 11.606 -5.716 1.00 18.64 C ATOM 0 H VAL B 63 -2.786 13.881 -5.849 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.187 12.631 -5.127 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.590 12.201 -3.646 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.389 9.858 -3.777 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.612 10.901 -3.013 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.808 10.393 -4.707 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.883 10.796 -5.558 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.322 11.308 -6.472 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.063 12.495 -6.055 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.486 12.920 -2.527 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.960 13.450 -1.222 1.00 10.78 C ATOM 2370 C HIS B 64 -5.741 12.389 -0.143 1.00 14.19 C ATOM 2371 O HIS B 64 -6.165 11.255 -0.283 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.454 13.775 -1.324 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.827 14.814 -0.298 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.207 14.892 0.938 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.770 15.813 -0.305 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.777 15.899 1.619 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.737 16.497 0.908 1.00 20.65 N ATOM 0 H HIS B 64 -5.790 11.971 -2.745 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.407 14.354 -0.964 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.688 14.140 -2.324 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.043 12.871 -1.169 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.436 16.034 -1.126 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.494 16.190 2.620 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.320 17.284 1.192 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.085 12.741 0.934 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.847 11.747 2.012 1.00 14.44 C ATOM 2387 C LEU B 65 -6.157 11.443 2.741 1.00 12.66 C ATOM 2388 O LEU B 65 -6.191 10.639 3.651 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.805 12.283 3.001 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.460 13.246 3.972 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.579 12.576 5.342 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.616 14.515 4.091 1.00 19.03 C ATOM 0 H LEU B 65 -4.707 13.672 1.109 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.469 10.826 1.568 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.350 11.456 3.547 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.004 12.787 2.461 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.452 13.512 3.607 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -5.049 13.264 6.044 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.186 11.675 5.255 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.586 12.310 5.705 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.091 15.204 4.790 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.621 14.258 4.455 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.533 14.990 3.113 1.00 19.03 H new ATOM 2404 N SER B 66 -7.245 12.051 2.342 1.00 13.51 N ATOM 2405 CA SER B 66 -8.530 11.746 3.015 1.00 10.39 C ATOM 2406 C SER B 66 -8.738 10.236 2.933 1.00 8.56 C ATOM 2407 O SER B 66 -9.486 9.650 3.690 1.00 11.70 O ATOM 2408 CB SER B 66 -9.673 12.466 2.300 1.00 12.88 C ATOM 2409 OG SER B 66 -10.213 11.613 1.299 1.00 14.72 O ATOM 0 H SER B 66 -7.294 12.736 1.588 1.00 13.51 H new ATOM 0 HA SER B 66 -8.512 12.078 4.053 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.448 12.742 3.015 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.311 13.390 1.850 1.00 12.88 H new ATOM 0 HG SER B 66 -10.947 12.071 0.840 1.00 14.72 H new ATOM 2415 N SER B 67 -8.064 9.608 2.005 1.00 7.98 N ATOM 2416 CA SER B 67 -8.191 8.137 1.841 1.00 8.20 C ATOM 2417 C SER B 67 -7.080 7.426 2.621 1.00 11.02 C ATOM 2418 O SER B 67 -7.229 6.291 3.030 1.00 11.45 O ATOM 2419 CB SER B 67 -8.065 7.786 0.362 1.00 8.01 C ATOM 2420 OG SER B 67 -9.184 8.309 -0.342 1.00 11.22 O ATOM 0 H SER B 67 -7.426 10.059 1.350 1.00 7.98 H new ATOM 0 HA SER B 67 -9.161 7.816 2.221 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.141 8.198 -0.044 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.015 6.704 0.236 1.00 8.01 H new ATOM 0 HG SER B 67 -9.500 7.647 -0.992 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.960 8.072 2.817 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.843 7.417 3.554 1.00 11.79 C ATOM 2428 C PHE B 68 -5.311 7.073 4.966 1.00 12.69 C ATOM 2429 O PHE B 68 -6.230 7.670 5.491 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.636 8.364 3.633 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.325 8.943 2.268 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -3.976 8.472 1.116 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.405 9.994 2.166 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.707 9.055 -0.126 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.134 10.571 0.922 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.787 10.104 -0.221 1.00 11.87 C ATOM 0 H PHE B 68 -5.772 9.023 2.499 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.547 6.509 3.028 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.844 9.169 4.337 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.768 7.825 4.012 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.684 7.660 1.190 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.904 10.359 3.050 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.210 8.695 -1.012 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.420 11.378 0.845 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.581 10.554 -1.181 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.689 6.111 5.582 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.099 5.721 6.960 1.00 15.38 C ATOM 2448 C LYS B 69 -3.950 4.981 7.647 1.00 15.02 C ATOM 2449 O LYS B 69 -2.947 4.668 7.037 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.325 4.807 6.888 1.00 16.04 C ATOM 2451 CG LYS B 69 -6.273 3.978 5.603 1.00 20.35 C ATOM 2452 CD LYS B 69 -7.099 2.703 5.782 1.00 21.35 C ATOM 2453 CE LYS B 69 -8.563 3.073 6.027 1.00 30.24 C ATOM 2454 NZ LYS B 69 -9.005 2.513 7.335 1.00 32.70 N ATOM 0 H LYS B 69 -3.913 5.576 5.192 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.345 6.616 7.531 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.352 4.149 7.756 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.237 5.403 6.911 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.660 4.560 4.767 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -5.240 3.724 5.363 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -7.015 2.075 4.895 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -6.714 2.123 6.621 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -8.681 4.157 6.025 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -9.187 2.683 5.223 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.000 2.764 7.502 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -8.907 1.478 7.320 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -8.416 2.905 8.097 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.089 4.702 8.913 1.00 13.65 N ATOM 2469 CA VAL B 70 -3.005 3.983 9.643 1.00 13.49 C ATOM 2470 C VAL B 70 -3.340 2.493 9.710 1.00 11.85 C ATOM 2471 O VAL B 70 -4.277 2.086 10.368 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.868 4.532 11.067 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.388 4.738 11.390 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.608 5.867 11.196 1.00 15.63 C ATOM 0 H VAL B 70 -4.906 4.940 9.475 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.065 4.131 9.112 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.304 3.818 11.766 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.288 5.129 12.403 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.863 3.786 11.315 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.957 5.447 10.683 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.502 6.245 12.213 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -3.185 6.587 10.495 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.665 5.720 10.972 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.580 1.675 9.035 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.854 0.210 9.062 1.00 11.07 C ATOM 2486 C GLY B 71 -2.132 -0.423 10.253 1.00 12.15 C ATOM 2487 O GLY B 71 -1.517 0.256 11.050 1.00 12.70 O ATOM 0 H GLY B 71 -1.782 1.957 8.466 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.927 0.031 9.137 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.518 -0.251 8.133 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.202 -1.721 10.382 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.521 -2.394 11.522 1.00 19.42 C ATOM 2493 C GLN B 72 -0.096 -2.768 11.116 1.00 16.97 C ATOM 2494 O GLN B 72 0.438 -3.775 11.536 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.288 -3.661 11.914 1.00 22.64 C ATOM 2496 CG GLN B 72 -3.771 -3.498 11.569 1.00 25.29 C ATOM 2497 CD GLN B 72 -4.066 -4.203 10.244 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -5.185 -4.601 9.991 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -3.101 -4.376 9.382 1.00 25.15 N ATOM 0 H GLN B 72 -2.702 -2.343 9.746 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.493 -1.714 12.373 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.876 -4.523 11.390 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.172 -3.852 12.981 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -4.388 -3.919 12.363 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -4.024 -2.440 11.495 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -2.161 -4.042 9.595 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -3.287 -4.846 8.496 1.00 25.15 H new ATOM 2508 N PHE B 73 0.523 -1.963 10.300 1.00 14.56 N ATOM 2509 CA PHE B 73 1.914 -2.267 9.862 1.00 14.60 C ATOM 2510 C PHE B 73 2.851 -1.141 10.309 1.00 15.63 C ATOM 2511 O PHE B 73 3.966 -1.027 9.842 1.00 17.80 O ATOM 2512 CB PHE B 73 1.953 -2.387 8.338 1.00 12.63 C ATOM 2513 CG PHE B 73 1.341 -3.703 7.923 1.00 14.99 C ATOM 2514 CD1 PHE B 73 2.109 -4.873 7.952 1.00 19.79 C ATOM 2515 CD2 PHE B 73 0.004 -3.754 7.510 1.00 16.27 C ATOM 2516 CE1 PHE B 73 1.541 -6.093 7.569 1.00 18.68 C ATOM 2517 CE2 PHE B 73 -0.564 -4.975 7.127 1.00 20.44 C ATOM 2518 CZ PHE B 73 0.204 -6.144 7.156 1.00 17.88 C ATOM 0 H PHE B 73 0.125 -1.106 9.916 1.00 14.56 H new ATOM 0 HA PHE B 73 2.238 -3.206 10.310 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.408 -1.560 7.883 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.982 -2.324 7.983 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.140 -4.834 8.270 1.00 19.79 H new ATOM 0 HD2 PHE B 73 -0.589 -2.852 7.487 1.00 16.27 H new ATOM 0 HE1 PHE B 73 2.134 -6.995 7.592 1.00 18.68 H new ATOM 0 HE2 PHE B 73 -1.595 -5.014 6.809 1.00 20.44 H new ATOM 0 HZ PHE B 73 -0.234 -7.086 6.860 1.00 17.88 H new ATOM 2528 N GLY B 74 2.407 -0.311 11.213 1.00 13.82 N ATOM 2529 CA GLY B 74 3.274 0.805 11.692 1.00 13.44 C ATOM 2530 C GLY B 74 3.727 1.656 10.503 1.00 10.42 C ATOM 2531 O GLY B 74 4.893 1.962 10.357 1.00 13.62 O ATOM 0 H GLY B 74 1.482 -0.357 11.641 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.728 1.422 12.405 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.142 0.404 12.216 1.00 13.44 H new ATOM 2535 N SER B 75 2.814 2.045 9.655 1.00 12.64 N ATOM 2536 CA SER B 75 3.196 2.879 8.480 1.00 12.47 C ATOM 2537 C SER B 75 1.932 3.384 7.783 1.00 12.47 C ATOM 2538 O SER B 75 0.967 2.662 7.629 1.00 11.32 O ATOM 2539 CB SER B 75 4.018 2.039 7.502 1.00 11.21 C ATOM 2540 OG SER B 75 4.047 0.690 7.949 1.00 18.27 O ATOM 0 H SER B 75 1.821 1.822 9.725 1.00 12.64 H new ATOM 0 HA SER B 75 3.791 3.729 8.815 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.584 2.094 6.504 1.00 11.21 H new ATOM 0 HB3 SER B 75 5.032 2.432 7.431 1.00 11.21 H new ATOM 0 HG SER B 75 4.572 0.149 7.323 1.00 18.27 H new ATOM 2546 N LEU B 76 1.928 4.619 7.359 1.00 12.43 N ATOM 2547 CA LEU B 76 0.725 5.165 6.672 1.00 12.18 C ATOM 2548 C LEU B 76 0.218 4.149 5.648 1.00 12.07 C ATOM 2549 O LEU B 76 0.920 3.231 5.271 1.00 9.82 O ATOM 2550 CB LEU B 76 1.089 6.469 5.959 1.00 11.99 C ATOM 2551 CG LEU B 76 0.089 7.560 6.348 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.602 8.306 7.582 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.070 8.543 5.185 1.00 7.80 C ATOM 0 H LEU B 76 2.705 5.272 7.459 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.055 5.360 7.408 1.00 12.18 H new ATOM 0 HB2 LEU B 76 2.100 6.774 6.230 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.079 6.320 4.879 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.876 7.106 6.574 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.110 9.083 7.859 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.715 7.606 8.410 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.567 8.761 7.357 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.782 9.321 5.461 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.894 8.998 4.959 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.436 8.011 4.307 1.00 7.80 H new ATOM 2565 N MET B 77 -0.995 4.304 5.194 1.00 14.08 N ATOM 2566 CA MET B 77 -1.543 3.344 4.194 1.00 14.12 C ATOM 2567 C MET B 77 -2.632 4.024 3.365 1.00 11.37 C ATOM 2568 O MET B 77 -3.763 4.157 3.789 1.00 11.44 O ATOM 2569 CB MET B 77 -2.143 2.134 4.913 1.00 16.48 C ATOM 2570 CG MET B 77 -1.035 1.341 5.607 1.00 24.75 C ATOM 2571 SD MET B 77 0.065 0.622 4.362 1.00 35.11 S ATOM 2572 CE MET B 77 0.477 -0.888 5.270 1.00 33.86 C ATOM 0 H MET B 77 -1.630 5.053 5.471 1.00 14.08 H new ATOM 0 HA MET B 77 -0.736 3.017 3.539 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.880 2.463 5.645 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.666 1.498 4.199 1.00 16.48 H new ATOM 0 HG2 MET B 77 -0.470 1.992 6.274 1.00 24.75 H new ATOM 0 HG3 MET B 77 -1.468 0.553 6.223 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.475 -0.794 5.698 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.248 -1.041 6.069 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.453 -1.740 4.590 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.292 4.446 2.183 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.291 5.115 1.298 1.00 11.62 C ATOM 2584 C ILE B 78 -4.636 4.382 1.390 1.00 11.45 C ATOM 2585 O ILE B 78 -5.637 4.940 1.793 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.758 5.100 -0.145 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -1.916 6.357 -0.380 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -3.909 5.068 -1.151 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.809 6.050 -1.390 1.00 13.67 C ATOM 0 H ILE B 78 -1.357 4.357 1.785 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.445 6.147 1.613 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.151 4.205 -0.285 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.546 7.165 -0.750 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.481 6.697 0.560 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.507 5.058 -2.164 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.508 4.172 -0.990 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.534 5.951 -1.017 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.210 6.945 -1.557 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.173 5.255 -1.002 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.254 5.731 -2.332 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.648 3.140 1.015 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.901 2.324 1.062 1.00 14.79 C ATOM 2603 C ASP B 79 -6.758 2.612 -0.171 1.00 15.20 C ATOM 2604 O ASP B 79 -7.225 1.714 -0.843 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.685 2.663 2.326 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.711 1.563 2.605 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.528 0.468 2.100 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.662 1.835 3.319 1.00 21.87 O ATOM 0 H ASP B 79 -3.829 2.639 0.670 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.639 1.266 1.072 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -6.005 2.763 3.172 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.189 3.622 2.207 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.958 3.857 -0.472 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.775 4.228 -1.666 1.00 17.14 C ATOM 2615 C ARG B 80 -7.672 5.733 -1.883 1.00 14.98 C ATOM 2616 O ARG B 80 -8.624 6.473 -1.737 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.235 3.829 -1.448 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.049 4.197 -2.690 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.281 2.948 -3.543 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.472 3.044 -4.790 1.00 33.10 N ATOM 2621 CZ ARG B 80 -9.285 1.987 -5.535 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -9.816 0.842 -5.196 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.569 2.075 -6.622 1.00 35.04 N ATOM 0 H ARG B 80 -6.590 4.646 0.059 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.401 3.702 -2.545 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.307 2.759 -1.256 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.636 4.338 -0.572 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.005 4.630 -2.395 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.522 4.953 -3.271 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.003 2.055 -2.983 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.339 2.853 -3.789 1.00 28.43 H new ATOM 0 HE ARG B 80 -9.063 3.938 -5.063 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.378 0.772 -4.348 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.668 0.019 -5.780 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -8.156 2.968 -6.890 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -8.422 1.250 -7.204 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.503 6.168 -2.230 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.235 7.609 -2.463 1.00 11.27 C ATOM 2639 C LEU B 81 -7.449 8.317 -3.083 1.00 15.61 C ATOM 2640 O LEU B 81 -7.972 7.910 -4.101 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.013 7.722 -3.376 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.441 7.762 -4.841 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.201 7.917 -5.724 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.158 6.452 -5.192 1.00 18.72 C ATOM 0 H LEU B 81 -5.692 5.565 -2.367 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.041 8.102 -1.510 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.451 8.623 -3.131 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.347 6.875 -3.209 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.114 8.603 -5.007 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.501 7.946 -6.771 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.686 8.843 -5.468 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.531 7.073 -5.562 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.466 6.475 -6.237 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.482 5.613 -5.031 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.037 6.337 -4.557 1.00 18.72 H new ATOM 2656 N ARG B 82 -7.880 9.394 -2.481 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.035 10.156 -3.035 1.00 12.72 C ATOM 2658 C ARG B 82 -8.486 11.288 -3.908 1.00 13.33 C ATOM 2659 O ARG B 82 -7.963 12.267 -3.415 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.864 10.744 -1.890 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.273 10.146 -1.917 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.112 10.860 -2.976 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.319 11.469 -2.333 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.086 10.774 -1.531 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.933 9.481 -1.414 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.050 11.370 -0.885 1.00 16.89 N ATOM 0 H ARG B 82 -7.479 9.779 -1.626 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.672 9.498 -3.626 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.386 10.530 -0.934 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.916 11.829 -1.985 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.222 9.080 -2.137 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.741 10.248 -0.938 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.519 11.633 -3.464 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.416 10.155 -3.750 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.548 12.444 -2.523 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.210 9.002 -1.951 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.537 8.951 -0.786 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.202 12.371 -1.006 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.651 10.835 -0.259 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.571 11.146 -5.201 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.023 12.198 -6.105 1.00 13.86 C ATOM 2682 C LEU B 83 -8.896 13.450 -6.092 1.00 13.02 C ATOM 2683 O LEU B 83 -10.098 13.393 -5.921 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.955 11.667 -7.534 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.525 11.771 -8.058 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.517 11.479 -9.561 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.002 13.188 -7.813 1.00 10.58 C ATOM 0 H LEU B 83 -8.996 10.347 -5.672 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.027 12.458 -5.747 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.288 10.629 -7.562 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.629 12.235 -8.175 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.889 11.052 -7.542 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.498 11.552 -9.940 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.899 10.474 -9.738 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.148 12.203 -10.076 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.981 13.268 -8.185 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.636 13.905 -8.335 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.016 13.401 -6.744 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.282 14.583 -6.290 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.026 15.862 -6.314 1.00 12.86 C ATOM 2701 C VAL B 84 -8.283 16.827 -7.244 1.00 14.98 C ATOM 2702 O VAL B 84 -7.078 16.743 -7.372 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.060 16.438 -4.903 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.777 15.462 -3.967 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.627 16.661 -4.410 1.00 17.34 C ATOM 0 H VAL B 84 -7.277 14.672 -6.438 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.046 15.711 -6.668 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.594 17.388 -4.911 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.800 15.875 -2.959 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.797 15.304 -4.318 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.245 14.511 -3.957 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.649 17.073 -3.401 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.093 15.711 -4.402 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.118 17.358 -5.075 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.011 17.722 -7.857 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.422 18.718 -8.766 1.00 22.41 C ATOM 2717 C PRO B 85 -7.435 19.616 -8.005 1.00 25.70 C ATOM 2718 O PRO B 85 -7.679 20.011 -6.882 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.632 19.480 -9.310 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.773 19.215 -8.316 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.465 17.845 -7.688 1.00 20.63 C ATOM 0 HA PRO B 85 -7.835 18.284 -9.576 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.420 20.546 -9.387 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.895 19.134 -10.309 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.818 19.994 -7.555 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.739 19.206 -8.821 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.753 17.809 -6.637 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.999 17.040 -8.193 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.311 19.918 -8.603 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.287 20.762 -7.919 1.00 39.94 C ATOM 2731 C ALA B 86 -5.831 22.180 -7.732 1.00 46.96 C ATOM 2732 O ALA B 86 -6.104 22.882 -8.686 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.019 20.807 -8.778 1.00 39.70 C ATOM 0 H ALA B 86 -6.058 19.613 -9.543 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.054 20.337 -6.943 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.267 21.422 -8.284 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.632 19.796 -8.909 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.255 21.235 -9.752 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.992 22.608 -6.509 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.517 23.980 -6.264 1.00 55.12 C ATOM 2741 C LYS B 87 -5.354 24.922 -5.948 1.00 55.82 C ATOM 2742 O LYS B 87 -5.252 25.947 -6.602 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.487 23.953 -5.080 1.00 52.96 C ATOM 2744 CG LYS B 87 -8.923 24.112 -5.586 1.00 55.49 C ATOM 2745 CD LYS B 87 -9.517 22.733 -5.881 1.00 56.64 C ATOM 2746 CE LYS B 87 -10.077 22.131 -4.591 1.00 58.91 C ATOM 2747 NZ LYS B 87 -11.311 21.356 -4.900 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.584 24.602 -5.057 1.00 57.66 O ATOM 0 H LYS B 87 -5.783 22.067 -5.670 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.040 24.332 -7.153 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.385 23.014 -4.535 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.246 24.755 -4.382 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -9.528 24.628 -4.840 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -8.936 24.726 -6.487 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -10.306 22.818 -6.628 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -8.752 22.078 -6.298 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -9.334 21.482 -4.127 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.301 22.922 -3.875 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -12.133 21.827 -4.472 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -11.440 21.304 -5.931 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -11.223 20.394 -4.514 1.00 58.16 H new TER 2762 LYS B 87