USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 84:sc= 2.19 USER MOD Set 1.2: A 94 LYS NZ :NH3+ -150:sc= 2.36 (180deg=0.056) USER MOD Set 2.1: A 83 CYS SG : rot -169:sc= -0.329 USER MOD Set 2.2: A 86 HIS : no HD1:sc= -0.492 X(o=-0.82,f=-0.78) USER MOD Set 3.1: A 55 LYS NZ :NH3+ -112:sc= 3.36 (180deg=-0.00755) USER MOD Set 3.2: A 58 HIS : no HE2:sc= 1.88 K(o=5.2,f=-12!) USER MOD Set 3.3: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 7 MET CE :methyl -179:sc= -2.37 (180deg=-1.81) USER MOD Set 4.2: A 33 ASN : amide:sc= -5.6! C(o=-10!,f=-14!) USER MOD Set 4.3: A 37 SER OG : rot 180:sc= 0.0839 USER MOD Set 4.4: A 39 HIS : no HE2:sc= -2.17 K(o=-10,f=-16!) USER MOD Set 5.1: A 2 ASN : amide:sc= 1.55 K(o=4.5,f=-4.6!) USER MOD Set 5.2: A 4 THR OG1 : rot 180:sc= 0.31 USER MOD Set 5.3: A 30 LYS NZ :NH3+ 140:sc= 2.59 (180deg=0.887) USER MOD Single : A 1 ALA N :NH3+ 160:sc= 1.03 (180deg=0.0757) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= 2.47 (180deg=2.2) USER MOD Single : A 9 SER OG : rot 31:sc= 1.16 USER MOD Single : A 11 SER OG : rot -20:sc= 0.982 USER MOD Single : A 19 SER OG : rot -52:sc= 1.27 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 0.351 (180deg=-0.716!) USER MOD Single : A 34 ASN : amide:sc= 0.0246 K(o=0.025,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 1.72 (180deg=0.715) USER MOD Single : A 40 ASN : amide:sc= -0.032! C(o=-0.032!,f=-8.4!) USER MOD Single : A 52 THR OG1 : rot -36:sc= 0.919 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.19) USER MOD Single : A 68 SER OG : rot 81:sc= 1.23 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -29:sc= 0.892 USER MOD Single : A 72 THR OG1 : rot -71:sc= 1.26 USER MOD Single : A 74 THR OG1 : rot -52:sc= 0.939 USER MOD Single : A 78 THR OG1 : rot 26:sc= 0.971 USER MOD Single : A 79 TYR OH : rot -120:sc= -0.233 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.012 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.065 -0.555 -14.741 1.00 0.00 N ATOM 2 CA ALA A 1 3.898 -1.649 -15.286 1.00 0.00 C ATOM 3 C ALA A 1 4.334 -2.658 -14.206 1.00 0.00 C ATOM 4 O ALA A 1 5.452 -2.540 -13.712 1.00 0.00 O ATOM 5 CB ALA A 1 5.084 -1.076 -16.075 1.00 0.00 C ATOM 0 H1 ALA A 1 3.080 0.252 -15.397 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.087 -0.889 -14.624 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.442 -0.258 -13.818 1.00 0.00 H new ATOM 0 HA ALA A 1 3.283 -2.221 -15.980 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.687 -1.893 -16.470 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.713 -0.468 -16.900 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.695 -0.459 -15.416 1.00 0.00 H new ATOM 13 N ASN A 2 3.451 -3.617 -13.841 1.00 0.00 N ATOM 14 CA ASN A 2 3.641 -4.718 -12.872 1.00 0.00 C ATOM 15 C ASN A 2 4.540 -4.318 -11.688 1.00 0.00 C ATOM 16 O ASN A 2 5.721 -4.672 -11.624 1.00 0.00 O ATOM 17 CB ASN A 2 4.197 -5.963 -13.600 1.00 0.00 C ATOM 18 CG ASN A 2 4.036 -7.200 -12.726 1.00 0.00 C ATOM 19 OD1 ASN A 2 4.875 -7.577 -11.913 1.00 0.00 O ATOM 20 ND2 ASN A 2 2.870 -7.792 -12.843 1.00 0.00 N ATOM 0 H ASN A 2 2.516 -3.641 -14.248 1.00 0.00 H new ATOM 0 HA ASN A 2 2.667 -4.956 -12.445 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.672 -6.105 -14.545 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.250 -5.813 -13.840 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.641 -8.589 -12.249 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.194 -7.455 -13.528 1.00 0.00 H new ATOM 27 N ALA A 3 3.974 -3.580 -10.729 1.00 0.00 N ATOM 28 CA ALA A 3 4.745 -3.104 -9.599 1.00 0.00 C ATOM 29 C ALA A 3 4.857 -4.089 -8.426 1.00 0.00 C ATOM 30 O ALA A 3 4.129 -5.079 -8.308 1.00 0.00 O ATOM 31 CB ALA A 3 4.165 -1.750 -9.171 1.00 0.00 C ATOM 0 H ALA A 3 2.992 -3.306 -10.720 1.00 0.00 H new ATOM 0 HA ALA A 3 5.780 -2.996 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.727 -1.366 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.236 -1.046 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.120 -1.875 -8.889 1.00 0.00 H new ATOM 37 N THR A 4 5.789 -3.727 -7.551 1.00 0.00 N ATOM 38 CA THR A 4 6.226 -4.300 -6.288 1.00 0.00 C ATOM 39 C THR A 4 6.562 -3.076 -5.443 1.00 0.00 C ATOM 40 O THR A 4 7.082 -2.105 -5.989 1.00 0.00 O ATOM 41 CB THR A 4 7.481 -5.181 -6.470 1.00 0.00 C ATOM 42 OG1 THR A 4 7.308 -6.204 -7.431 1.00 0.00 O ATOM 43 CG2 THR A 4 7.881 -5.893 -5.177 1.00 0.00 C ATOM 0 H THR A 4 6.339 -2.891 -7.748 1.00 0.00 H new ATOM 0 HA THR A 4 5.470 -4.946 -5.842 1.00 0.00 H new ATOM 0 HB THR A 4 8.248 -4.477 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.134 -6.727 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.768 -6.500 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.096 -5.153 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.063 -6.534 -4.847 1.00 0.00 H new ATOM 51 N VAL A 5 6.273 -3.082 -4.146 1.00 0.00 N ATOM 52 CA VAL A 5 6.599 -1.948 -3.285 1.00 0.00 C ATOM 53 C VAL A 5 6.975 -2.453 -1.907 1.00 0.00 C ATOM 54 O VAL A 5 6.550 -3.517 -1.461 1.00 0.00 O ATOM 55 CB VAL A 5 5.459 -0.877 -3.305 1.00 0.00 C ATOM 56 CG1 VAL A 5 4.145 -1.263 -4.017 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.215 -0.147 -1.980 1.00 0.00 C ATOM 0 H VAL A 5 5.815 -3.857 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 5 7.473 -1.420 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 5 5.911 -0.143 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.441 -0.433 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.351 -1.490 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.713 -2.140 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.405 0.572 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.943 -0.870 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.123 0.377 -1.681 1.00 0.00 H new ATOM 67 N LYS A 6 7.815 -1.680 -1.229 1.00 0.00 N ATOM 68 CA LYS A 6 8.311 -2.058 0.094 1.00 0.00 C ATOM 69 C LYS A 6 7.760 -1.097 1.135 1.00 0.00 C ATOM 70 O LYS A 6 7.877 0.104 0.939 1.00 0.00 O ATOM 71 CB LYS A 6 9.851 -1.991 0.078 1.00 0.00 C ATOM 72 CG LYS A 6 10.521 -2.771 -1.072 1.00 0.00 C ATOM 73 CD LYS A 6 11.937 -2.290 -1.397 1.00 0.00 C ATOM 74 CE LYS A 6 12.885 -2.321 -0.202 1.00 0.00 C ATOM 75 NZ LYS A 6 14.116 -1.571 -0.506 1.00 0.00 N ATOM 0 H LYS A 6 8.169 -0.787 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 6 7.989 -3.069 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.154 -0.946 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.227 -2.375 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.557 -3.828 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.903 -2.685 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.349 -2.912 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.886 -1.272 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.395 -1.890 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.132 -3.353 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.847 -1.805 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.453 -1.827 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.918 -0.551 -0.472 1.00 0.00 H new ATOM 89 N MET A 7 7.128 -1.600 2.193 1.00 0.00 N ATOM 90 CA MET A 7 6.576 -0.849 3.330 1.00 0.00 C ATOM 91 C MET A 7 7.675 -0.756 4.395 1.00 0.00 C ATOM 92 O MET A 7 8.172 -1.778 4.869 1.00 0.00 O ATOM 93 CB MET A 7 5.350 -1.561 3.889 1.00 0.00 C ATOM 94 CG MET A 7 4.136 -1.502 2.964 1.00 0.00 C ATOM 95 SD MET A 7 2.599 -1.794 3.870 1.00 0.00 S ATOM 96 CE MET A 7 2.919 -3.476 4.456 1.00 0.00 C ATOM 0 H MET A 7 6.976 -2.604 2.290 1.00 0.00 H new ATOM 0 HA MET A 7 6.263 0.147 3.017 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.601 -2.604 4.080 1.00 0.00 H new ATOM 0 HB3 MET A 7 5.087 -1.116 4.849 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.094 -0.527 2.479 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.242 -2.247 2.175 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.061 -3.832 5.026 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.086 -4.133 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.803 -3.477 5.093 1.00 0.00 H new ATOM 106 N GLY A 8 7.990 0.464 4.837 1.00 0.00 N ATOM 107 CA GLY A 8 9.048 0.744 5.811 1.00 0.00 C ATOM 108 C GLY A 8 10.324 0.889 4.991 1.00 0.00 C ATOM 109 O GLY A 8 10.948 -0.117 4.663 1.00 0.00 O ATOM 0 H GLY A 8 7.505 1.304 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.835 1.654 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.137 -0.064 6.537 1.00 0.00 H new ATOM 113 N SER A 9 10.680 2.119 4.611 1.00 0.00 N ATOM 114 CA SER A 9 11.857 2.374 3.777 1.00 0.00 C ATOM 115 C SER A 9 13.124 1.733 4.341 1.00 0.00 C ATOM 116 O SER A 9 13.256 1.584 5.558 1.00 0.00 O ATOM 117 CB SER A 9 12.045 3.875 3.568 1.00 0.00 C ATOM 118 OG SER A 9 13.138 4.113 2.708 1.00 0.00 O ATOM 0 H SER A 9 10.165 2.960 4.871 1.00 0.00 H new ATOM 0 HA SER A 9 11.677 1.904 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.138 4.307 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.214 4.365 4.527 1.00 0.00 H new ATOM 0 HG SER A 9 13.220 3.373 2.071 1.00 0.00 H new ATOM 124 N ASP A 10 14.117 1.420 3.495 1.00 0.00 N ATOM 125 CA ASP A 10 15.350 0.816 4.000 1.00 0.00 C ATOM 126 C ASP A 10 16.093 1.713 5.017 1.00 0.00 C ATOM 127 O ASP A 10 16.906 1.202 5.790 1.00 0.00 O ATOM 128 CB ASP A 10 16.256 0.351 2.837 1.00 0.00 C ATOM 129 CG ASP A 10 16.143 -1.173 2.642 1.00 0.00 C ATOM 130 OD1 ASP A 10 16.343 -1.897 3.651 1.00 0.00 O ATOM 131 OD2 ASP A 10 15.800 -1.607 1.522 1.00 0.00 O ATOM 0 H ASP A 10 14.090 1.571 2.487 1.00 0.00 H new ATOM 0 HA ASP A 10 15.063 -0.072 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.970 0.863 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.291 0.621 3.044 1.00 0.00 H new ATOM 136 N SER A 11 15.756 3.014 5.078 1.00 0.00 N ATOM 137 CA SER A 11 16.297 4.015 6.012 1.00 0.00 C ATOM 138 C SER A 11 15.576 3.964 7.372 1.00 0.00 C ATOM 139 O SER A 11 15.916 4.742 8.269 1.00 0.00 O ATOM 140 CB SER A 11 16.144 5.422 5.409 1.00 0.00 C ATOM 141 OG SER A 11 16.542 6.423 6.332 1.00 0.00 O ATOM 0 H SER A 11 15.064 3.415 4.445 1.00 0.00 H new ATOM 0 HA SER A 11 17.351 3.788 6.174 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.745 5.499 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.106 5.585 5.118 1.00 0.00 H new ATOM 0 HG SER A 11 16.530 6.054 7.240 1.00 0.00 H new ATOM 147 N GLY A 12 14.555 3.103 7.507 1.00 0.00 N ATOM 148 CA GLY A 12 13.746 2.916 8.708 1.00 0.00 C ATOM 149 C GLY A 12 12.576 3.891 8.831 1.00 0.00 C ATOM 150 O GLY A 12 11.894 3.903 9.854 1.00 0.00 O ATOM 0 H GLY A 12 14.263 2.493 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.358 1.897 8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.386 3.021 9.584 1.00 0.00 H new ATOM 154 N ALA A 13 12.341 4.705 7.799 1.00 0.00 N ATOM 155 CA ALA A 13 11.252 5.659 7.762 1.00 0.00 C ATOM 156 C ALA A 13 9.940 4.945 7.427 1.00 0.00 C ATOM 157 O ALA A 13 9.879 4.093 6.536 1.00 0.00 O ATOM 158 CB ALA A 13 11.572 6.743 6.725 1.00 0.00 C ATOM 0 H ALA A 13 12.916 4.713 6.957 1.00 0.00 H new ATOM 0 HA ALA A 13 11.136 6.129 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.757 7.466 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.496 7.251 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.691 6.284 5.744 1.00 0.00 H new ATOM 164 N LEU A 14 8.877 5.345 8.119 1.00 0.00 N ATOM 165 CA LEU A 14 7.514 4.854 7.951 1.00 0.00 C ATOM 166 C LEU A 14 6.903 5.371 6.643 1.00 0.00 C ATOM 167 O LEU A 14 6.025 6.226 6.635 1.00 0.00 O ATOM 168 CB LEU A 14 6.691 5.208 9.206 1.00 0.00 C ATOM 169 CG LEU A 14 7.090 4.488 10.515 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.076 2.965 10.346 1.00 0.00 C ATOM 171 CD2 LEU A 14 8.425 4.943 11.112 1.00 0.00 C ATOM 0 H LEU A 14 8.947 6.055 8.848 1.00 0.00 H new ATOM 0 HA LEU A 14 7.511 3.768 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.765 6.283 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.643 4.988 9.001 1.00 0.00 H new ATOM 0 HG LEU A 14 6.324 4.781 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.361 2.492 11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.074 2.639 10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.782 2.679 9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.623 4.385 12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.225 4.760 10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.378 6.008 11.340 1.00 0.00 H new ATOM 183 N VAL A 15 7.381 4.846 5.515 1.00 0.00 N ATOM 184 CA VAL A 15 6.896 5.172 4.176 1.00 0.00 C ATOM 185 C VAL A 15 7.102 3.953 3.283 1.00 0.00 C ATOM 186 O VAL A 15 7.907 3.069 3.586 1.00 0.00 O ATOM 187 CB VAL A 15 7.617 6.431 3.629 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.118 6.209 3.404 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.986 6.993 2.342 1.00 0.00 C ATOM 0 H VAL A 15 8.138 4.163 5.509 1.00 0.00 H new ATOM 0 HA VAL A 15 5.833 5.412 4.201 1.00 0.00 H new ATOM 0 HB VAL A 15 7.487 7.172 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.568 7.125 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.591 5.940 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.263 5.404 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.543 7.872 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.018 6.235 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.950 7.270 2.536 1.00 0.00 H new ATOM 199 N PHE A 16 6.348 3.900 2.188 1.00 0.00 N ATOM 200 CA PHE A 16 6.409 2.868 1.168 1.00 0.00 C ATOM 201 C PHE A 16 7.125 3.355 -0.098 1.00 0.00 C ATOM 202 O PHE A 16 6.960 4.496 -0.542 1.00 0.00 O ATOM 203 CB PHE A 16 5.009 2.254 0.966 1.00 0.00 C ATOM 204 CG PHE A 16 3.785 3.101 1.224 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.713 4.437 0.808 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.739 2.548 1.991 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.579 5.199 1.104 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.621 3.322 2.325 1.00 0.00 C ATOM 209 CZ PHE A 16 1.534 4.643 1.863 1.00 0.00 C ATOM 0 H PHE A 16 5.646 4.611 1.982 1.00 0.00 H new ATOM 0 HA PHE A 16 7.041 2.044 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.952 1.901 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.941 1.376 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.532 4.877 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.800 1.522 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.505 6.216 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.832 2.905 2.933 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.661 5.236 2.091 1.00 0.00 H new ATOM 219 N GLU A 17 7.979 2.469 -0.635 1.00 0.00 N ATOM 220 CA GLU A 17 8.822 2.711 -1.805 1.00 0.00 C ATOM 221 C GLU A 17 8.503 1.713 -2.926 1.00 0.00 C ATOM 222 O GLU A 17 8.829 0.532 -2.776 1.00 0.00 O ATOM 223 CB GLU A 17 10.333 2.740 -1.417 1.00 0.00 C ATOM 224 CG GLU A 17 10.971 1.564 -0.644 1.00 0.00 C ATOM 225 CD GLU A 17 12.435 1.798 -0.180 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.660 2.746 0.618 1.00 0.00 O ATOM 227 OE2 GLU A 17 13.326 0.988 -0.554 1.00 0.00 O ATOM 0 H GLU A 17 8.102 1.533 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 17 8.594 3.701 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.899 2.862 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.495 3.640 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.358 1.350 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.944 0.677 -1.276 1.00 0.00 H new ATOM 234 N PRO A 18 7.830 2.149 -4.020 1.00 0.00 N ATOM 235 CA PRO A 18 7.303 3.503 -4.274 1.00 0.00 C ATOM 236 C PRO A 18 5.952 3.874 -3.614 1.00 0.00 C ATOM 237 O PRO A 18 4.986 3.103 -3.606 1.00 0.00 O ATOM 238 CB PRO A 18 7.203 3.617 -5.788 1.00 0.00 C ATOM 239 CG PRO A 18 6.957 2.180 -6.241 1.00 0.00 C ATOM 240 CD PRO A 18 7.827 1.391 -5.268 1.00 0.00 C ATOM 0 HA PRO A 18 7.986 4.213 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.389 4.277 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.117 4.023 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.906 1.902 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.256 2.021 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.428 0.388 -5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.839 1.275 -5.656 1.00 0.00 H new ATOM 248 N SER A 19 5.893 5.132 -3.144 1.00 0.00 N ATOM 249 CA SER A 19 4.793 5.809 -2.425 1.00 0.00 C ATOM 250 C SER A 19 3.683 6.340 -3.351 1.00 0.00 C ATOM 251 O SER A 19 2.665 6.891 -2.920 1.00 0.00 O ATOM 252 CB SER A 19 5.291 7.053 -1.665 1.00 0.00 C ATOM 253 OG SER A 19 6.683 7.030 -1.476 1.00 0.00 O ATOM 0 H SER A 19 6.686 5.761 -3.268 1.00 0.00 H new ATOM 0 HA SER A 19 4.407 5.035 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.015 7.951 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.794 7.110 -0.696 1.00 0.00 H new ATOM 0 HG SER A 19 6.944 6.177 -1.069 1.00 0.00 H new ATOM 259 N THR A 20 3.967 6.296 -4.652 1.00 0.00 N ATOM 260 CA THR A 20 3.171 6.756 -5.788 1.00 0.00 C ATOM 261 C THR A 20 3.516 5.848 -6.972 1.00 0.00 C ATOM 262 O THR A 20 4.699 5.622 -7.226 1.00 0.00 O ATOM 263 CB THR A 20 3.519 8.219 -6.133 1.00 0.00 C ATOM 264 OG1 THR A 20 3.762 9.006 -4.982 1.00 0.00 O ATOM 265 CG2 THR A 20 2.404 8.904 -6.921 1.00 0.00 C ATOM 0 H THR A 20 4.851 5.896 -4.968 1.00 0.00 H new ATOM 0 HA THR A 20 2.107 6.713 -5.554 1.00 0.00 H new ATOM 0 HB THR A 20 4.425 8.154 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.979 9.923 -5.252 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.693 9.932 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.235 8.366 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.488 8.903 -6.330 1.00 0.00 H new ATOM 273 N VAL A 21 2.530 5.276 -7.676 1.00 0.00 N ATOM 274 CA VAL A 21 2.822 4.361 -8.796 1.00 0.00 C ATOM 275 C VAL A 21 1.831 4.532 -9.952 1.00 0.00 C ATOM 276 O VAL A 21 0.806 5.201 -9.790 1.00 0.00 O ATOM 277 CB VAL A 21 2.957 2.908 -8.248 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.638 2.143 -8.078 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.952 2.080 -9.072 1.00 0.00 C ATOM 0 H VAL A 21 1.537 5.425 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 21 3.781 4.615 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 21 3.344 3.046 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.844 1.145 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.995 2.677 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.137 2.063 -9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.018 1.074 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.612 2.026 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.934 2.552 -9.038 1.00 0.00 H new ATOM 289 N THR A 22 2.151 3.942 -11.113 1.00 0.00 N ATOM 290 CA THR A 22 1.333 4.067 -12.322 1.00 0.00 C ATOM 291 C THR A 22 1.192 2.743 -13.105 1.00 0.00 C ATOM 292 O THR A 22 2.181 2.154 -13.567 1.00 0.00 O ATOM 293 CB THR A 22 1.913 5.236 -13.140 1.00 0.00 C ATOM 294 OG1 THR A 22 1.027 5.531 -14.180 1.00 0.00 O ATOM 295 CG2 THR A 22 3.307 5.031 -13.744 1.00 0.00 C ATOM 0 H THR A 22 2.984 3.366 -11.237 1.00 0.00 H new ATOM 0 HA THR A 22 0.299 4.292 -12.061 1.00 0.00 H new ATOM 0 HB THR A 22 2.033 6.045 -12.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.381 6.275 -14.710 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.600 5.925 -14.294 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.026 4.844 -12.946 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.288 4.178 -14.422 1.00 0.00 H new ATOM 303 N ILE A 23 -0.056 2.254 -13.180 1.00 0.00 N ATOM 304 CA ILE A 23 -0.421 0.986 -13.833 1.00 0.00 C ATOM 305 C ILE A 23 -1.672 1.139 -14.703 1.00 0.00 C ATOM 306 O ILE A 23 -2.304 2.191 -14.640 1.00 0.00 O ATOM 307 CB ILE A 23 -0.682 -0.115 -12.767 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.893 0.196 -11.847 1.00 0.00 C ATOM 309 CG2 ILE A 23 0.579 -0.390 -11.934 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.556 -1.091 -11.358 1.00 0.00 C ATOM 0 H ILE A 23 -0.858 2.740 -12.779 1.00 0.00 H new ATOM 0 HA ILE A 23 0.416 0.699 -14.470 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.940 -1.017 -13.322 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.562 0.786 -10.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.620 0.800 -12.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.366 -1.164 -11.197 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.383 -0.724 -12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.884 0.523 -11.423 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.401 -0.844 -10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.907 -1.667 -12.214 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.833 -1.682 -10.795 1.00 0.00 H new ATOM 322 N LYS A 24 -2.073 0.106 -15.473 1.00 0.00 N ATOM 323 CA LYS A 24 -3.314 0.249 -16.261 1.00 0.00 C ATOM 324 C LYS A 24 -4.301 -0.916 -16.149 1.00 0.00 C ATOM 325 O LYS A 24 -3.912 -2.062 -15.966 1.00 0.00 O ATOM 326 CB LYS A 24 -2.972 0.620 -17.713 1.00 0.00 C ATOM 327 CG LYS A 24 -2.960 -0.393 -18.863 1.00 0.00 C ATOM 328 CD LYS A 24 -4.213 -0.224 -19.767 1.00 0.00 C ATOM 329 CE LYS A 24 -4.300 1.084 -20.607 1.00 0.00 C ATOM 330 NZ LYS A 24 -5.001 2.225 -19.944 1.00 0.00 N ATOM 0 H LYS A 24 -1.589 -0.787 -15.565 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.871 1.071 -15.811 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.671 1.405 -18.002 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.979 1.070 -17.689 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.057 -0.261 -19.459 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.932 -1.405 -18.460 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.255 -1.071 -20.452 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.099 -0.281 -19.134 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.289 1.400 -20.862 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.810 0.861 -21.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.468 2.812 -20.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.714 1.857 -19.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.310 2.801 -19.423 1.00 0.00 H new ATOM 344 N ALA A 25 -5.594 -0.588 -16.222 1.00 0.00 N ATOM 345 CA ALA A 25 -6.787 -1.436 -16.111 1.00 0.00 C ATOM 346 C ALA A 25 -6.553 -2.976 -16.060 1.00 0.00 C ATOM 347 O ALA A 25 -6.582 -3.655 -17.091 1.00 0.00 O ATOM 348 CB ALA A 25 -7.726 -1.029 -17.257 1.00 0.00 C ATOM 0 H ALA A 25 -5.861 0.384 -16.377 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.225 -1.255 -15.129 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.632 -1.634 -17.217 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.988 0.024 -17.156 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.225 -1.188 -18.212 1.00 0.00 H new ATOM 354 N GLY A 26 -6.334 -3.529 -14.853 1.00 0.00 N ATOM 355 CA GLY A 26 -6.114 -4.958 -14.592 1.00 0.00 C ATOM 356 C GLY A 26 -4.694 -5.333 -14.151 1.00 0.00 C ATOM 357 O GLY A 26 -4.455 -6.486 -13.795 1.00 0.00 O ATOM 0 H GLY A 26 -6.305 -2.968 -14.001 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.813 -5.281 -13.821 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.355 -5.517 -15.496 1.00 0.00 H new ATOM 361 N GLU A 27 -3.743 -4.391 -14.200 1.00 0.00 N ATOM 362 CA GLU A 27 -2.350 -4.592 -13.770 1.00 0.00 C ATOM 363 C GLU A 27 -2.170 -4.888 -12.264 1.00 0.00 C ATOM 364 O GLU A 27 -3.148 -5.093 -11.538 1.00 0.00 O ATOM 365 CB GLU A 27 -1.512 -3.388 -14.196 1.00 0.00 C ATOM 366 CG GLU A 27 -0.733 -3.623 -15.488 1.00 0.00 C ATOM 367 CD GLU A 27 0.255 -2.475 -15.634 1.00 0.00 C ATOM 368 OE1 GLU A 27 1.259 -2.486 -14.890 1.00 0.00 O ATOM 369 OE2 GLU A 27 -0.028 -1.500 -16.359 1.00 0.00 O ATOM 0 H GLU A 27 -3.922 -3.449 -14.546 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.003 -5.497 -14.268 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.166 -2.526 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.812 -3.140 -13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.210 -4.579 -15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.408 -3.660 -16.343 1.00 0.00 H new ATOM 376 N GLU A 28 -0.919 -4.929 -11.760 1.00 0.00 N ATOM 377 CA GLU A 28 -0.676 -5.258 -10.349 1.00 0.00 C ATOM 378 C GLU A 28 0.356 -4.377 -9.653 1.00 0.00 C ATOM 379 O GLU A 28 1.199 -3.725 -10.279 1.00 0.00 O ATOM 380 CB GLU A 28 -0.252 -6.739 -10.227 1.00 0.00 C ATOM 381 CG GLU A 28 1.218 -7.119 -10.047 1.00 0.00 C ATOM 382 CD GLU A 28 1.347 -8.652 -10.009 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.496 -9.236 -11.104 1.00 0.00 O ATOM 384 OE2 GLU A 28 1.394 -9.204 -8.884 1.00 0.00 O ATOM 0 H GLU A 28 -0.076 -4.741 -12.303 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.620 -5.070 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.798 -7.160 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.608 -7.249 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.813 -6.713 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.607 -6.687 -9.125 1.00 0.00 H new ATOM 391 N VAL A 29 0.265 -4.423 -8.324 1.00 0.00 N ATOM 392 CA VAL A 29 1.101 -3.762 -7.346 1.00 0.00 C ATOM 393 C VAL A 29 1.257 -4.739 -6.168 1.00 0.00 C ATOM 394 O VAL A 29 0.340 -4.865 -5.344 1.00 0.00 O ATOM 395 CB VAL A 29 0.420 -2.475 -6.865 1.00 0.00 C ATOM 396 CG1 VAL A 29 1.321 -1.737 -5.863 1.00 0.00 C ATOM 397 CG2 VAL A 29 0.066 -1.489 -7.993 1.00 0.00 C ATOM 0 H VAL A 29 -0.464 -4.976 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 29 2.069 -3.496 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.513 -2.803 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.825 -0.825 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.513 -2.380 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.266 -1.481 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.412 -0.606 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.975 -1.193 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.617 -1.969 -8.695 1.00 0.00 H new ATOM 407 N LYS A 30 2.392 -5.451 -6.081 1.00 0.00 N ATOM 408 CA LYS A 30 2.653 -6.450 -5.037 1.00 0.00 C ATOM 409 C LYS A 30 3.568 -5.956 -3.902 1.00 0.00 C ATOM 410 O LYS A 30 4.787 -6.096 -3.928 1.00 0.00 O ATOM 411 CB LYS A 30 3.121 -7.771 -5.710 1.00 0.00 C ATOM 412 CG LYS A 30 4.588 -7.859 -6.170 1.00 0.00 C ATOM 413 CD LYS A 30 4.875 -8.969 -7.190 1.00 0.00 C ATOM 414 CE LYS A 30 4.423 -8.623 -8.610 1.00 0.00 C ATOM 415 NZ LYS A 30 5.160 -7.470 -9.170 1.00 0.00 N ATOM 0 H LYS A 30 3.162 -5.347 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 30 1.720 -6.647 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.939 -8.587 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.486 -7.949 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.876 -6.902 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.220 -8.016 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.945 -9.177 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.375 -9.883 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.565 -9.490 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.356 -8.401 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.374 -7.648 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.577 -6.612 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.048 -7.337 -8.645 1.00 0.00 H new ATOM 429 N TRP A 31 2.993 -5.287 -2.903 1.00 0.00 N ATOM 430 CA TRP A 31 3.713 -4.803 -1.722 1.00 0.00 C ATOM 431 C TRP A 31 3.987 -5.778 -0.585 1.00 0.00 C ATOM 432 O TRP A 31 3.178 -6.633 -0.236 1.00 0.00 O ATOM 433 CB TRP A 31 3.097 -3.480 -1.238 1.00 0.00 C ATOM 434 CG TRP A 31 1.658 -3.120 -1.457 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.627 -3.864 -1.926 1.00 0.00 C ATOM 436 CD2 TRP A 31 1.253 -1.746 -1.664 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.264 -3.032 -2.582 1.00 0.00 N ATOM 438 CE2 TRP A 31 0.108 -1.718 -2.497 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.880 -0.526 -1.376 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.354 -0.547 -3.100 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.437 0.653 -1.982 1.00 0.00 C ATOM 442 CH2 TRP A 31 0.333 0.651 -2.852 1.00 0.00 C ATOM 0 H TRP A 31 1.998 -5.062 -2.890 1.00 0.00 H new ATOM 0 HA TRP A 31 4.728 -4.646 -2.086 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.267 -3.435 -0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.687 -2.681 -1.687 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.518 -4.932 -1.807 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.098 -3.359 -3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.708 -0.497 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.221 -0.563 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.951 1.581 -1.778 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.015 1.567 -3.327 1.00 0.00 H new ATOM 453 N VAL A 32 5.185 -5.601 -0.014 1.00 0.00 N ATOM 454 CA VAL A 32 5.836 -6.363 1.050 1.00 0.00 C ATOM 455 C VAL A 32 6.336 -5.481 2.191 1.00 0.00 C ATOM 456 O VAL A 32 6.609 -4.296 2.021 1.00 0.00 O ATOM 457 CB VAL A 32 7.020 -7.117 0.397 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.747 -8.117 1.321 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.670 -7.906 -0.884 1.00 0.00 C ATOM 0 H VAL A 32 5.784 -4.836 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 32 5.114 -7.046 1.499 1.00 0.00 H new ATOM 0 HB VAL A 32 7.671 -6.276 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.560 -8.594 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.152 -7.587 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.043 -8.877 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.565 -8.398 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.913 -8.656 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.284 -7.221 -1.639 1.00 0.00 H new ATOM 469 N ASN A 33 6.476 -6.108 3.354 1.00 0.00 N ATOM 470 CA ASN A 33 6.979 -5.568 4.610 1.00 0.00 C ATOM 471 C ASN A 33 8.502 -5.432 4.545 1.00 0.00 C ATOM 472 O ASN A 33 9.190 -6.360 4.114 1.00 0.00 O ATOM 473 CB ASN A 33 6.633 -6.546 5.724 1.00 0.00 C ATOM 474 CG ASN A 33 5.281 -6.322 6.317 1.00 0.00 C ATOM 475 OD1 ASN A 33 4.410 -5.687 5.750 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.106 -6.845 7.506 1.00 0.00 N ATOM 0 H ASN A 33 6.218 -7.090 3.449 1.00 0.00 H new ATOM 0 HA ASN A 33 6.532 -4.591 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.685 -7.562 5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.383 -6.468 6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.216 -6.727 7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.860 -7.370 7.948 1.00 0.00 H new ATOM 483 N ASN A 34 9.052 -4.349 5.094 1.00 0.00 N ATOM 484 CA ASN A 34 10.495 -4.153 5.124 1.00 0.00 C ATOM 485 C ASN A 34 11.003 -3.398 6.361 1.00 0.00 C ATOM 486 O ASN A 34 12.149 -3.677 6.739 1.00 0.00 O ATOM 487 CB ASN A 34 10.936 -3.491 3.807 1.00 0.00 C ATOM 488 CG ASN A 34 12.348 -3.852 3.358 1.00 0.00 C ATOM 489 OD1 ASN A 34 12.597 -4.043 2.177 1.00 0.00 O ATOM 490 ND2 ASN A 34 13.322 -3.904 4.250 1.00 0.00 N ATOM 0 H ASN A 34 8.516 -3.595 5.524 1.00 0.00 H new ATOM 0 HA ASN A 34 10.960 -5.135 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.235 -3.773 3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.870 -2.409 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.277 -4.103 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.119 -3.745 5.237 1.00 0.00 H new ATOM 497 N LYS A 35 10.251 -2.464 6.981 1.00 0.00 N ATOM 498 CA LYS A 35 10.791 -1.810 8.192 1.00 0.00 C ATOM 499 C LYS A 35 9.795 -1.165 9.159 1.00 0.00 C ATOM 500 O LYS A 35 8.663 -0.830 8.817 1.00 0.00 O ATOM 501 CB LYS A 35 11.923 -0.820 7.798 1.00 0.00 C ATOM 502 CG LYS A 35 13.188 -1.043 8.658 1.00 0.00 C ATOM 503 CD LYS A 35 14.515 -0.685 7.969 1.00 0.00 C ATOM 504 CE LYS A 35 14.802 -1.602 6.773 1.00 0.00 C ATOM 505 NZ LYS A 35 16.189 -1.438 6.275 1.00 0.00 N ATOM 0 H LYS A 35 9.323 -2.159 6.687 1.00 0.00 H new ATOM 0 HA LYS A 35 11.178 -2.639 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.170 -0.947 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.572 0.205 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.098 -0.452 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.224 -2.090 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.482 0.351 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.330 -0.761 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.640 -2.640 7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.099 -1.383 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.244 -1.761 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.460 -0.435 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.837 -2.002 6.861 1.00 0.00 H new ATOM 519 N LEU A 36 10.301 -1.039 10.393 1.00 0.00 N ATOM 520 CA LEU A 36 9.695 -0.528 11.618 1.00 0.00 C ATOM 521 C LEU A 36 8.211 -0.916 11.773 1.00 0.00 C ATOM 522 O LEU A 36 7.328 -0.104 12.037 1.00 0.00 O ATOM 523 CB LEU A 36 10.036 0.974 11.686 1.00 0.00 C ATOM 524 CG LEU A 36 9.849 1.647 13.061 1.00 0.00 C ATOM 525 CD1 LEU A 36 10.332 0.819 14.260 1.00 0.00 C ATOM 526 CD2 LEU A 36 10.674 2.938 13.087 1.00 0.00 C ATOM 0 H LEU A 36 11.262 -1.330 10.571 1.00 0.00 H new ATOM 0 HA LEU A 36 10.112 -1.004 12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.073 1.105 11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.418 1.500 10.959 1.00 0.00 H new ATOM 0 HG LEU A 36 8.774 1.794 13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.158 1.376 15.181 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.784 -0.122 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.398 0.615 14.155 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.553 3.428 14.053 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.726 2.701 12.929 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.330 3.605 12.297 1.00 0.00 H new ATOM 538 N SER A 37 8.017 -2.233 11.646 1.00 0.00 N ATOM 539 CA SER A 37 6.799 -3.032 11.760 1.00 0.00 C ATOM 540 C SER A 37 6.069 -2.772 13.086 1.00 0.00 C ATOM 541 O SER A 37 6.712 -2.483 14.102 1.00 0.00 O ATOM 542 CB SER A 37 7.158 -4.526 11.709 1.00 0.00 C ATOM 543 OG SER A 37 8.269 -4.803 10.868 1.00 0.00 O ATOM 0 H SER A 37 8.812 -2.836 11.434 1.00 0.00 H new ATOM 0 HA SER A 37 6.148 -2.751 10.932 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.377 -4.876 12.718 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.294 -5.090 11.357 1.00 0.00 H new ATOM 0 HG SER A 37 8.453 -5.766 10.875 1.00 0.00 H new ATOM 549 N PRO A 38 4.736 -2.962 13.121 1.00 0.00 N ATOM 550 CA PRO A 38 3.850 -3.359 12.017 1.00 0.00 C ATOM 551 C PRO A 38 3.667 -2.238 10.974 1.00 0.00 C ATOM 552 O PRO A 38 4.127 -1.106 11.122 1.00 0.00 O ATOM 553 CB PRO A 38 2.531 -3.728 12.692 1.00 0.00 C ATOM 554 CG PRO A 38 2.488 -2.799 13.902 1.00 0.00 C ATOM 555 CD PRO A 38 3.953 -2.750 14.330 1.00 0.00 C ATOM 0 HA PRO A 38 4.268 -4.190 11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.681 -3.566 12.030 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.510 -4.777 12.988 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.107 -1.811 13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.847 -3.190 14.692 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.193 -1.790 14.786 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.168 -3.518 15.073 1.00 0.00 H new ATOM 563 N HIS A 39 3.020 -2.659 9.887 1.00 0.00 N ATOM 564 CA HIS A 39 2.587 -1.961 8.683 1.00 0.00 C ATOM 565 C HIS A 39 1.235 -2.429 8.122 1.00 0.00 C ATOM 566 O HIS A 39 0.795 -3.539 8.413 1.00 0.00 O ATOM 567 CB HIS A 39 3.760 -1.927 7.651 1.00 0.00 C ATOM 568 CG HIS A 39 4.852 -2.987 7.589 1.00 0.00 C ATOM 569 ND1 HIS A 39 5.098 -3.998 8.482 1.00 0.00 N ATOM 570 CD2 HIS A 39 6.064 -2.758 6.986 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.389 -4.357 8.403 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.019 -3.649 7.466 1.00 0.00 N ATOM 0 H HIS A 39 2.751 -3.641 9.827 1.00 0.00 H new ATOM 0 HA HIS A 39 2.360 -0.930 8.953 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.300 -1.901 6.663 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.266 -0.972 7.792 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.408 -4.412 9.108 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.250 -1.995 6.245 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.854 -5.116 9.015 1.00 0.00 H new ATOM 580 N ASN A 40 0.564 -1.570 7.337 1.00 0.00 N ATOM 581 CA ASN A 40 -0.763 -1.814 6.760 1.00 0.00 C ATOM 582 C ASN A 40 -0.940 -1.211 5.354 1.00 0.00 C ATOM 583 O ASN A 40 -0.282 -0.234 4.997 1.00 0.00 O ATOM 584 CB ASN A 40 -1.746 -1.217 7.808 1.00 0.00 C ATOM 585 CG ASN A 40 -3.172 -0.921 7.362 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.543 0.221 7.152 1.00 0.00 O ATOM 587 ND2 ASN A 40 -4.006 -1.927 7.256 1.00 0.00 N ATOM 0 H ASN A 40 0.944 -0.659 7.080 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.941 -2.875 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.796 -1.907 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.313 -0.289 8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.978 -1.759 6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.683 -2.878 7.434 1.00 0.00 H new ATOM 594 N ILE A 41 -1.888 -1.780 4.597 1.00 0.00 N ATOM 595 CA ILE A 41 -2.275 -1.366 3.253 1.00 0.00 C ATOM 596 C ILE A 41 -3.781 -1.050 3.174 1.00 0.00 C ATOM 597 O ILE A 41 -4.531 -1.940 2.788 1.00 0.00 O ATOM 598 CB ILE A 41 -1.866 -2.401 2.167 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.349 -2.666 2.067 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.325 -1.748 0.828 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.069 -3.896 2.881 1.00 0.00 C ATOM 0 H ILE A 41 -2.428 -2.580 4.927 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.723 -0.450 3.042 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.315 -3.365 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.073 -2.811 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.197 -1.792 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.077 -2.409 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.402 -1.585 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.816 -0.793 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.144 -4.048 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.183 -3.741 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.457 -4.775 2.508 1.00 0.00 H new ATOM 613 N VAL A 42 -4.252 0.176 3.472 1.00 0.00 N ATOM 614 CA VAL A 42 -5.695 0.511 3.353 1.00 0.00 C ATOM 615 C VAL A 42 -5.971 1.593 2.325 1.00 0.00 C ATOM 616 O VAL A 42 -5.471 2.706 2.435 1.00 0.00 O ATOM 617 CB VAL A 42 -6.355 0.897 4.676 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.390 -0.343 5.552 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.773 2.078 5.433 1.00 0.00 C ATOM 0 H VAL A 42 -3.667 0.947 3.794 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.145 -0.422 3.014 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.348 1.262 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.857 -0.101 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.965 -1.124 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.373 -0.696 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.340 2.237 6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.731 1.874 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.830 2.972 4.812 1.00 0.00 H new ATOM 629 N PHE A 43 -6.749 1.276 1.294 1.00 0.00 N ATOM 630 CA PHE A 43 -7.145 2.195 0.255 1.00 0.00 C ATOM 631 C PHE A 43 -8.368 3.002 0.670 1.00 0.00 C ATOM 632 O PHE A 43 -9.274 2.485 1.332 1.00 0.00 O ATOM 633 CB PHE A 43 -7.496 1.420 -1.020 1.00 0.00 C ATOM 634 CG PHE A 43 -6.290 1.045 -1.843 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.449 -0.010 -1.448 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.000 1.782 -3.002 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.310 -0.324 -2.202 1.00 0.00 C ATOM 638 CE2 PHE A 43 -4.884 1.449 -3.781 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.028 0.415 -3.365 1.00 0.00 C ATOM 0 H PHE A 43 -7.129 0.338 1.163 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.309 2.871 0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.037 0.514 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.169 2.023 -1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.681 -0.580 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.636 2.605 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.655 -1.125 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.683 1.985 -4.697 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.145 0.186 -3.944 1.00 0.00 H new ATOM 649 N ALA A 44 -8.391 4.275 0.297 1.00 0.00 N ATOM 650 CA ALA A 44 -9.536 5.116 0.592 1.00 0.00 C ATOM 651 C ALA A 44 -10.656 4.717 -0.389 1.00 0.00 C ATOM 652 O ALA A 44 -10.381 4.190 -1.470 1.00 0.00 O ATOM 653 CB ALA A 44 -9.152 6.590 0.436 1.00 0.00 C ATOM 0 H ALA A 44 -7.636 4.741 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.877 4.981 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.016 7.217 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.342 6.830 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.824 6.774 -0.587 1.00 0.00 H new ATOM 659 N ALA A 45 -11.926 4.969 -0.065 1.00 0.00 N ATOM 660 CA ALA A 45 -13.014 4.653 -0.990 1.00 0.00 C ATOM 661 C ALA A 45 -13.058 5.745 -2.084 1.00 0.00 C ATOM 662 O ALA A 45 -13.944 6.592 -2.082 1.00 0.00 O ATOM 663 CB ALA A 45 -14.319 4.560 -0.187 1.00 0.00 C ATOM 0 H ALA A 45 -12.223 5.385 0.818 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.864 3.695 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.144 4.325 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.229 3.776 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.512 5.513 0.305 1.00 0.00 H new ATOM 669 N ASP A 46 -12.081 5.775 -3.000 1.00 0.00 N ATOM 670 CA ASP A 46 -11.975 6.744 -4.104 1.00 0.00 C ATOM 671 C ASP A 46 -13.008 6.524 -5.240 1.00 0.00 C ATOM 672 O ASP A 46 -13.221 7.441 -6.033 1.00 0.00 O ATOM 673 CB ASP A 46 -10.545 6.691 -4.687 1.00 0.00 C ATOM 674 CG ASP A 46 -9.520 7.623 -4.018 1.00 0.00 C ATOM 675 OD1 ASP A 46 -9.339 8.774 -4.474 1.00 0.00 O ATOM 676 OD2 ASP A 46 -8.800 7.198 -3.082 1.00 0.00 O ATOM 0 H ASP A 46 -11.314 5.102 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.195 7.724 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.180 5.667 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.595 6.937 -5.748 1.00 0.00 H new ATOM 726 N ASP A 51 -12.538 -1.346 -2.633 1.00 0.00 N ATOM 727 CA ASP A 51 -11.591 -0.991 -1.574 1.00 0.00 C ATOM 728 C ASP A 51 -11.626 -2.016 -0.427 1.00 0.00 C ATOM 729 O ASP A 51 -10.585 -2.404 0.098 1.00 0.00 O ATOM 730 CB ASP A 51 -11.843 0.442 -1.063 1.00 0.00 C ATOM 731 CG ASP A 51 -13.031 0.559 -0.095 1.00 0.00 C ATOM 732 OD1 ASP A 51 -14.066 -0.094 -0.352 1.00 0.00 O ATOM 733 OD2 ASP A 51 -12.883 1.283 0.919 1.00 0.00 O ATOM 0 HA ASP A 51 -10.588 -1.016 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.944 0.802 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.017 1.096 -1.917 1.00 0.00 H new ATOM 738 N THR A 52 -12.821 -2.538 -0.119 1.00 0.00 N ATOM 739 CA THR A 52 -13.093 -3.563 0.905 1.00 0.00 C ATOM 740 C THR A 52 -12.538 -4.972 0.602 1.00 0.00 C ATOM 741 O THR A 52 -12.746 -5.886 1.402 1.00 0.00 O ATOM 742 CB THR A 52 -14.609 -3.627 1.170 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.853 -4.472 2.267 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.427 -4.155 -0.014 1.00 0.00 C ATOM 0 H THR A 52 -13.670 -2.243 -0.601 1.00 0.00 H new ATOM 0 HA THR A 52 -12.549 -3.243 1.794 1.00 0.00 H new ATOM 0 HB THR A 52 -14.924 -2.600 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.214 -5.215 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.484 -4.170 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.279 -3.506 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.101 -5.166 -0.260 1.00 0.00 H new ATOM 752 N ALA A 53 -11.899 -5.170 -0.556 1.00 0.00 N ATOM 753 CA ALA A 53 -11.268 -6.422 -0.993 1.00 0.00 C ATOM 754 C ALA A 53 -9.864 -6.194 -1.597 1.00 0.00 C ATOM 755 O ALA A 53 -9.068 -7.125 -1.703 1.00 0.00 O ATOM 756 CB ALA A 53 -12.200 -7.133 -1.981 1.00 0.00 C ATOM 0 H ALA A 53 -11.803 -4.427 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.115 -7.057 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.739 -8.064 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.150 -7.351 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.375 -6.490 -2.843 1.00 0.00 H new ATOM 762 N ALA A 54 -9.527 -4.947 -1.926 1.00 0.00 N ATOM 763 CA ALA A 54 -8.251 -4.521 -2.462 1.00 0.00 C ATOM 764 C ALA A 54 -7.404 -3.834 -1.383 1.00 0.00 C ATOM 765 O ALA A 54 -6.451 -3.140 -1.735 1.00 0.00 O ATOM 766 CB ALA A 54 -8.513 -3.617 -3.673 1.00 0.00 C ATOM 0 H ALA A 54 -10.179 -4.170 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.671 -5.383 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.563 -3.285 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.068 -4.173 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.095 -2.750 -3.361 1.00 0.00 H new ATOM 772 N LYS A 55 -7.753 -3.984 -0.089 1.00 0.00 N ATOM 773 CA LYS A 55 -7.008 -3.421 1.026 1.00 0.00 C ATOM 774 C LYS A 55 -7.080 -4.288 2.308 1.00 0.00 C ATOM 775 O LYS A 55 -7.937 -5.163 2.419 1.00 0.00 O ATOM 776 CB LYS A 55 -7.502 -1.977 1.182 1.00 0.00 C ATOM 777 CG LYS A 55 -8.582 -1.813 2.280 1.00 0.00 C ATOM 778 CD LYS A 55 -9.271 -0.452 2.178 1.00 0.00 C ATOM 779 CE LYS A 55 -10.603 -0.367 2.909 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.116 1.018 2.813 1.00 0.00 N ATOM 0 H LYS A 55 -8.576 -4.511 0.202 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.936 -3.414 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.654 -1.334 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.907 -1.634 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.323 -2.607 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.124 -1.919 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.602 0.311 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.432 -0.217 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.318 -1.065 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.478 -0.651 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.097 1.461 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.519 1.565 2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.093 1.002 2.457 1.00 0.00 H new ATOM 794 N LEU A 56 -6.210 -4.010 3.285 1.00 0.00 N ATOM 795 CA LEU A 56 -6.107 -4.658 4.594 1.00 0.00 C ATOM 796 C LEU A 56 -7.054 -4.045 5.661 1.00 0.00 C ATOM 797 O LEU A 56 -6.634 -3.241 6.493 1.00 0.00 O ATOM 798 CB LEU A 56 -4.663 -4.608 5.113 1.00 0.00 C ATOM 799 CG LEU A 56 -3.643 -5.572 4.481 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.271 -5.460 5.173 1.00 0.00 C ATOM 801 CD2 LEU A 56 -4.079 -7.039 4.595 1.00 0.00 C ATOM 0 H LEU A 56 -5.512 -3.275 3.173 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.416 -5.692 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.293 -3.592 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.685 -4.799 6.186 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.580 -5.283 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.570 -6.152 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.895 -4.442 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.375 -5.707 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.326 -7.679 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.188 -7.306 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.033 -7.176 4.085 1.00 0.00 H new ATOM 813 N SER A 57 -8.327 -4.419 5.658 1.00 0.00 N ATOM 814 CA SER A 57 -9.469 -4.003 6.492 1.00 0.00 C ATOM 815 C SER A 57 -9.393 -2.986 7.637 1.00 0.00 C ATOM 816 O SER A 57 -9.938 -3.240 8.706 1.00 0.00 O ATOM 817 CB SER A 57 -10.201 -5.272 6.965 1.00 0.00 C ATOM 818 OG SER A 57 -10.231 -6.251 5.949 1.00 0.00 O ATOM 0 H SER A 57 -8.633 -5.117 4.980 1.00 0.00 H new ATOM 0 HA SER A 57 -9.979 -3.355 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.704 -5.675 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.219 -5.019 7.261 1.00 0.00 H new ATOM 0 HG SER A 57 -10.700 -7.047 6.276 1.00 0.00 H new ATOM 824 N HIS A 58 -8.793 -1.810 7.415 1.00 0.00 N ATOM 825 CA HIS A 58 -8.558 -0.708 8.370 1.00 0.00 C ATOM 826 C HIS A 58 -7.907 -1.121 9.697 1.00 0.00 C ATOM 827 O HIS A 58 -7.667 -0.302 10.586 1.00 0.00 O ATOM 828 CB HIS A 58 -9.844 0.117 8.577 1.00 0.00 C ATOM 829 CG HIS A 58 -9.944 1.102 7.447 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.150 2.221 7.292 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.542 0.841 6.247 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.222 2.577 5.997 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.077 1.786 5.331 1.00 0.00 N ATOM 0 H HIS A 58 -8.428 -1.581 6.490 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.805 -0.073 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.717 -0.535 8.594 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.815 0.636 9.535 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.611 2.689 8.021 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.246 0.048 6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.667 3.390 5.553 1.00 0.00 H new ATOM 841 N LYS A 59 -7.600 -2.407 9.811 1.00 0.00 N ATOM 842 CA LYS A 59 -6.951 -3.084 10.899 1.00 0.00 C ATOM 843 C LYS A 59 -6.209 -4.324 10.397 1.00 0.00 C ATOM 844 O LYS A 59 -5.464 -4.858 11.214 1.00 0.00 O ATOM 845 CB LYS A 59 -7.964 -3.377 12.028 1.00 0.00 C ATOM 846 CG LYS A 59 -7.376 -3.151 13.436 1.00 0.00 C ATOM 847 CD LYS A 59 -7.014 -1.684 13.764 1.00 0.00 C ATOM 848 CE LYS A 59 -8.239 -0.756 13.817 1.00 0.00 C ATOM 849 NZ LYS A 59 -7.988 0.551 13.159 1.00 0.00 N ATOM 0 H LYS A 59 -7.828 -3.058 9.060 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.189 -2.437 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.839 -2.740 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.306 -4.409 11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.094 -3.506 14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.480 -3.763 13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.498 -1.650 14.724 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.316 -1.312 13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.084 -1.246 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.520 -0.588 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.862 1.114 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.245 1.063 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.681 0.393 12.178 1.00 0.00 H new ATOM 863 N GLY A 60 -6.373 -4.818 9.136 1.00 0.00 N ATOM 864 CA GLY A 60 -5.531 -5.988 8.771 1.00 0.00 C ATOM 865 C GLY A 60 -4.072 -5.498 8.758 1.00 0.00 C ATOM 866 O GLY A 60 -3.850 -4.354 8.367 1.00 0.00 O ATOM 0 H GLY A 60 -7.012 -4.467 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.661 -6.797 9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.816 -6.380 7.795 1.00 0.00 H new ATOM 870 N LEU A 61 -3.084 -6.298 9.158 1.00 0.00 N ATOM 871 CA LEU A 61 -1.700 -5.796 9.194 1.00 0.00 C ATOM 872 C LEU A 61 -0.620 -6.834 8.945 1.00 0.00 C ATOM 873 O LEU A 61 -0.866 -8.043 8.992 1.00 0.00 O ATOM 874 CB LEU A 61 -1.520 -4.978 10.510 1.00 0.00 C ATOM 875 CG LEU A 61 -0.653 -5.529 11.662 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.769 -4.581 12.865 1.00 0.00 C ATOM 877 CD2 LEU A 61 -1.095 -6.906 12.179 1.00 0.00 C ATOM 0 H LEU A 61 -3.203 -7.267 9.454 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.552 -5.141 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.107 -4.008 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.516 -4.797 10.915 1.00 0.00 H new ATOM 0 HG LEU A 61 0.355 -5.614 11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.161 -4.959 13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.419 -3.589 12.581 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.810 -4.521 13.182 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.434 -7.221 12.987 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.118 -6.844 12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.047 -7.632 11.367 1.00 0.00 H new ATOM 889 N ALA A 62 0.587 -6.320 8.678 1.00 0.00 N ATOM 890 CA ALA A 62 1.721 -7.173 8.462 1.00 0.00 C ATOM 891 C ALA A 62 2.720 -6.790 9.545 1.00 0.00 C ATOM 892 O ALA A 62 3.362 -5.740 9.506 1.00 0.00 O ATOM 893 CB ALA A 62 2.051 -7.006 6.983 1.00 0.00 C ATOM 0 H ALA A 62 0.785 -5.322 8.610 1.00 0.00 H new ATOM 0 HA ALA A 62 1.628 -8.252 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.911 -7.626 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.194 -7.311 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.285 -5.961 6.778 1.00 0.00 H new ATOM 899 N PHE A 63 2.767 -7.615 10.584 1.00 0.00 N ATOM 900 CA PHE A 63 3.604 -7.427 11.761 1.00 0.00 C ATOM 901 C PHE A 63 5.047 -7.914 11.631 1.00 0.00 C ATOM 902 O PHE A 63 5.898 -7.396 12.356 1.00 0.00 O ATOM 903 CB PHE A 63 2.923 -8.088 12.970 1.00 0.00 C ATOM 904 CG PHE A 63 3.060 -9.600 13.005 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.189 -10.418 12.260 1.00 0.00 C ATOM 906 CD2 PHE A 63 4.117 -10.185 13.730 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.392 -11.810 12.222 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.315 -11.575 13.694 1.00 0.00 C ATOM 909 CZ PHE A 63 3.459 -12.387 12.930 1.00 0.00 C ATOM 0 H PHE A 63 2.203 -8.463 10.631 1.00 0.00 H new ATOM 0 HA PHE A 63 3.695 -6.349 11.892 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.347 -7.674 13.885 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.864 -7.829 12.964 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.365 -9.977 11.718 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.777 -9.562 14.315 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.726 -12.436 11.647 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.125 -12.020 14.253 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.622 -13.454 12.887 1.00 0.00 H new ATOM 919 N ALA A 64 5.346 -8.851 10.725 1.00 0.00 N ATOM 920 CA ALA A 64 6.682 -9.405 10.569 1.00 0.00 C ATOM 921 C ALA A 64 7.368 -8.973 9.270 1.00 0.00 C ATOM 922 O ALA A 64 6.750 -8.865 8.213 1.00 0.00 O ATOM 923 CB ALA A 64 6.623 -10.931 10.708 1.00 0.00 C ATOM 0 H ALA A 64 4.661 -9.244 10.080 1.00 0.00 H new ATOM 0 HA ALA A 64 7.305 -8.998 11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.624 -11.346 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.235 -11.192 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.968 -11.341 9.939 1.00 0.00 H new ATOM 929 N ALA A 65 8.670 -8.703 9.339 1.00 0.00 N ATOM 930 CA ALA A 65 9.474 -8.325 8.176 1.00 0.00 C ATOM 931 C ALA A 65 9.433 -9.449 7.130 1.00 0.00 C ATOM 932 O ALA A 65 9.794 -10.587 7.441 1.00 0.00 O ATOM 933 CB ALA A 65 10.908 -8.010 8.620 1.00 0.00 C ATOM 0 H ALA A 65 9.201 -8.740 10.209 1.00 0.00 H new ATOM 0 HA ALA A 65 9.063 -7.427 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.504 -7.729 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.895 -7.186 9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.345 -8.891 9.090 1.00 0.00 H new ATOM 939 N GLY A 66 8.967 -9.138 5.911 1.00 0.00 N ATOM 940 CA GLY A 66 8.828 -10.110 4.835 1.00 0.00 C ATOM 941 C GLY A 66 7.370 -10.470 4.555 1.00 0.00 C ATOM 942 O GLY A 66 7.122 -11.120 3.547 1.00 0.00 O ATOM 0 H GLY A 66 8.676 -8.196 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.280 -9.710 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.379 -11.014 5.094 1.00 0.00 H new ATOM 946 N GLU A 67 6.407 -10.119 5.426 1.00 0.00 N ATOM 947 CA GLU A 67 4.985 -10.400 5.162 1.00 0.00 C ATOM 948 C GLU A 67 4.518 -9.548 3.964 1.00 0.00 C ATOM 949 O GLU A 67 5.186 -8.589 3.572 1.00 0.00 O ATOM 950 CB GLU A 67 4.130 -10.194 6.423 1.00 0.00 C ATOM 951 CG GLU A 67 4.339 -11.340 7.423 1.00 0.00 C ATOM 952 CD GLU A 67 3.474 -11.200 8.685 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.369 -10.059 9.204 1.00 0.00 O ATOM 954 OE2 GLU A 67 2.953 -12.242 9.141 1.00 0.00 O ATOM 0 H GLU A 67 6.585 -9.644 6.311 1.00 0.00 H new ATOM 0 HA GLU A 67 4.858 -11.449 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.390 -9.245 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.077 -10.135 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.109 -12.287 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.390 -11.376 7.711 1.00 0.00 H new ATOM 961 N SER A 68 3.351 -9.827 3.374 1.00 0.00 N ATOM 962 CA SER A 68 2.923 -9.071 2.184 1.00 0.00 C ATOM 963 C SER A 68 1.485 -9.279 1.752 1.00 0.00 C ATOM 964 O SER A 68 0.872 -10.288 2.114 1.00 0.00 O ATOM 965 CB SER A 68 3.863 -9.511 1.044 1.00 0.00 C ATOM 966 OG SER A 68 3.438 -9.190 -0.258 1.00 0.00 O ATOM 0 H SER A 68 2.700 -10.548 3.686 1.00 0.00 H new ATOM 0 HA SER A 68 2.978 -8.010 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.840 -9.058 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.998 -10.591 1.106 1.00 0.00 H new ATOM 0 HG SER A 68 3.659 -8.255 -0.453 1.00 0.00 H new ATOM 972 N PHE A 69 0.963 -8.320 0.954 1.00 0.00 N ATOM 973 CA PHE A 69 -0.401 -8.542 0.470 1.00 0.00 C ATOM 974 C PHE A 69 -0.291 -7.995 -0.984 1.00 0.00 C ATOM 975 O PHE A 69 0.495 -7.072 -1.219 1.00 0.00 O ATOM 976 CB PHE A 69 -1.529 -7.798 1.249 1.00 0.00 C ATOM 977 CG PHE A 69 -2.234 -6.557 0.749 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.613 -5.465 0.134 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.645 -6.652 0.734 1.00 0.00 C ATOM 980 CE1 PHE A 69 -2.413 -4.548 -0.564 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.436 -5.698 0.083 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.806 -4.645 -0.584 1.00 0.00 C ATOM 0 H PHE A 69 1.423 -7.460 0.656 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.698 -9.585 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.309 -8.537 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.105 -7.536 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.543 -5.331 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.123 -7.480 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.937 -3.742 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.513 -5.775 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.393 -3.909 -1.113 1.00 0.00 H new ATOM 992 N THR A 70 -1.000 -8.503 -1.997 1.00 0.00 N ATOM 993 CA THR A 70 -0.913 -7.927 -3.348 1.00 0.00 C ATOM 994 C THR A 70 -2.246 -7.296 -3.720 1.00 0.00 C ATOM 995 O THR A 70 -3.304 -7.719 -3.246 1.00 0.00 O ATOM 996 CB THR A 70 -0.422 -8.960 -4.379 1.00 0.00 C ATOM 997 OG1 THR A 70 -0.149 -8.301 -5.600 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.372 -10.127 -4.657 1.00 0.00 C ATOM 0 H THR A 70 -1.632 -9.299 -1.913 1.00 0.00 H new ATOM 0 HA THR A 70 -0.161 -7.138 -3.353 1.00 0.00 H new ATOM 0 HB THR A 70 0.467 -9.405 -3.932 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.166 -8.953 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.926 -10.791 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.550 -10.679 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.318 -9.743 -5.038 1.00 0.00 H new ATOM 1006 N SER A 71 -2.165 -6.267 -4.572 1.00 0.00 N ATOM 1007 CA SER A 71 -3.296 -5.512 -5.062 1.00 0.00 C ATOM 1008 C SER A 71 -3.206 -5.358 -6.569 1.00 0.00 C ATOM 1009 O SER A 71 -2.159 -4.991 -7.107 1.00 0.00 O ATOM 1010 CB SER A 71 -3.329 -4.160 -4.366 1.00 0.00 C ATOM 1011 OG SER A 71 -2.185 -3.388 -4.671 1.00 0.00 O ATOM 0 H SER A 71 -1.275 -5.936 -4.944 1.00 0.00 H new ATOM 0 HA SER A 71 -4.223 -6.041 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.225 -3.617 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.392 -4.307 -3.288 1.00 0.00 H new ATOM 0 HG SER A 71 -1.428 -3.983 -4.855 1.00 0.00 H new ATOM 1017 N THR A 72 -4.348 -5.623 -7.191 1.00 0.00 N ATOM 1018 CA THR A 72 -4.652 -5.544 -8.610 1.00 0.00 C ATOM 1019 C THR A 72 -6.032 -4.920 -8.729 1.00 0.00 C ATOM 1020 O THR A 72 -6.941 -5.294 -7.988 1.00 0.00 O ATOM 1021 CB THR A 72 -4.606 -6.939 -9.257 1.00 0.00 C ATOM 1022 OG1 THR A 72 -3.314 -7.082 -9.765 1.00 0.00 O ATOM 1023 CG2 THR A 72 -5.562 -7.173 -10.434 1.00 0.00 C ATOM 0 H THR A 72 -5.163 -5.929 -6.660 1.00 0.00 H new ATOM 0 HA THR A 72 -3.915 -4.938 -9.136 1.00 0.00 H new ATOM 0 HB THR A 72 -4.903 -7.648 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.202 -6.497 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.439 -8.190 -10.806 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.590 -7.030 -10.101 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.337 -6.465 -11.232 1.00 0.00 H new ATOM 1031 N PHE A 73 -6.183 -3.981 -9.662 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.399 -3.208 -9.927 1.00 0.00 C ATOM 1033 C PHE A 73 -7.604 -2.616 -11.327 1.00 0.00 C ATOM 1034 O PHE A 73 -6.687 -2.574 -12.153 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.564 -2.193 -8.790 1.00 0.00 C ATOM 1036 CG PHE A 73 -6.358 -1.664 -8.050 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -5.251 -1.091 -8.694 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.348 -1.842 -6.656 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -4.115 -0.743 -7.935 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -5.232 -1.473 -5.900 1.00 0.00 C ATOM 1041 CZ PHE A 73 -4.106 -0.942 -6.541 1.00 0.00 C ATOM 0 H PHE A 73 -5.420 -3.724 -10.288 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.216 -3.930 -9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.091 -1.332 -9.202 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.223 -2.645 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.269 -0.918 -9.760 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.210 -2.268 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.249 -0.322 -8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.238 -1.597 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.229 -0.685 -5.965 1.00 0.00 H new ATOM 1051 N THR A 74 -8.834 -2.126 -11.584 1.00 0.00 N ATOM 1052 CA THR A 74 -9.210 -1.594 -12.903 1.00 0.00 C ATOM 1053 C THR A 74 -10.290 -0.484 -13.050 1.00 0.00 C ATOM 1054 O THR A 74 -11.178 -0.589 -13.906 1.00 0.00 O ATOM 1055 CB THR A 74 -9.577 -2.850 -13.724 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.799 -2.495 -15.055 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.818 -3.584 -13.199 1.00 0.00 C ATOM 0 H THR A 74 -9.582 -2.089 -10.892 1.00 0.00 H new ATOM 0 HA THR A 74 -8.355 -1.011 -13.245 1.00 0.00 H new ATOM 0 HB THR A 74 -8.732 -3.532 -13.631 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.442 -1.757 -15.094 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.017 -4.455 -13.823 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.643 -3.905 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.677 -2.913 -13.228 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.176 0.633 -12.327 1.00 0.00 N ATOM 1066 CA GLU A 75 -11.135 1.745 -12.460 1.00 0.00 C ATOM 1067 C GLU A 75 -10.323 3.026 -12.834 1.00 0.00 C ATOM 1068 O GLU A 75 -9.708 3.642 -11.965 1.00 0.00 O ATOM 1069 CB GLU A 75 -12.026 1.826 -11.190 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.777 2.847 -10.069 1.00 0.00 C ATOM 1071 CD GLU A 75 -12.993 2.944 -9.135 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -14.141 3.002 -9.627 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -12.807 3.012 -7.900 1.00 0.00 O ATOM 0 H GLU A 75 -9.435 0.796 -11.645 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.855 1.603 -13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.047 1.986 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.997 0.840 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.896 2.557 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.567 3.825 -10.502 1.00 0.00 H new ATOM 1080 N PRO A 76 -10.316 3.449 -14.122 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.545 4.597 -14.626 1.00 0.00 C ATOM 1082 C PRO A 76 -9.613 5.932 -13.866 1.00 0.00 C ATOM 1083 O PRO A 76 -10.613 6.658 -13.885 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.862 4.724 -16.117 1.00 0.00 C ATOM 1085 CG PRO A 76 -11.154 3.949 -16.307 1.00 0.00 C ATOM 1086 CD PRO A 76 -11.114 2.890 -15.209 1.00 0.00 C ATOM 0 HA PRO A 76 -8.496 4.365 -14.439 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.980 5.768 -16.409 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.060 4.311 -16.728 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.026 4.596 -16.206 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.206 3.496 -17.297 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.120 2.648 -14.867 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.672 1.965 -15.579 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.470 6.248 -13.240 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.257 7.419 -12.415 1.00 0.00 C ATOM 1096 C GLY A 77 -7.082 7.214 -11.458 1.00 0.00 C ATOM 1097 O GLY A 77 -5.971 6.833 -11.842 1.00 0.00 O ATOM 0 H GLY A 77 -7.639 5.660 -13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.066 8.284 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.161 7.635 -11.845 1.00 0.00 H new ATOM 1101 N THR A 78 -7.322 7.524 -10.182 1.00 0.00 N ATOM 1102 CA THR A 78 -6.317 7.444 -9.125 1.00 0.00 C ATOM 1103 C THR A 78 -6.932 7.223 -7.739 1.00 0.00 C ATOM 1104 O THR A 78 -7.879 7.901 -7.350 1.00 0.00 O ATOM 1105 CB THR A 78 -5.438 8.708 -9.177 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.549 8.722 -8.096 1.00 0.00 O ATOM 1107 CG2 THR A 78 -6.206 10.033 -9.129 1.00 0.00 C ATOM 0 H THR A 78 -8.233 7.842 -9.852 1.00 0.00 H new ATOM 0 HA THR A 78 -5.695 6.567 -9.302 1.00 0.00 H new ATOM 0 HB THR A 78 -4.935 8.646 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.379 7.803 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.501 10.864 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.886 10.091 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.778 10.089 -8.203 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.349 6.282 -6.985 1.00 0.00 N ATOM 1116 CA TYR A 79 -6.779 5.864 -5.655 1.00 0.00 C ATOM 1117 C TYR A 79 -5.702 5.896 -4.576 1.00 0.00 C ATOM 1118 O TYR A 79 -4.542 5.528 -4.749 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.581 4.520 -5.739 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.378 3.457 -6.817 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.637 3.852 -8.147 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.528 2.087 -6.504 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -8.026 2.937 -9.124 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.965 1.164 -7.484 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.210 1.586 -8.814 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.742 0.778 -9.776 1.00 0.00 O ATOM 0 H TYR A 79 -5.527 5.771 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.463 6.633 -5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.426 4.016 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.634 4.799 -5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.531 4.893 -8.415 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.307 1.740 -5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.188 3.277 -10.136 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.113 0.128 -7.215 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.578 0.385 -9.448 1.00 0.00 H new ATOM 1136 N THR A 80 -6.121 6.510 -3.465 1.00 0.00 N ATOM 1137 CA THR A 80 -5.376 6.782 -2.245 1.00 0.00 C ATOM 1138 C THR A 80 -5.273 5.573 -1.347 1.00 0.00 C ATOM 1139 O THR A 80 -6.153 4.713 -1.334 1.00 0.00 O ATOM 1140 CB THR A 80 -6.051 7.877 -1.382 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.965 8.672 -2.107 1.00 0.00 O ATOM 1142 CG2 THR A 80 -5.027 8.809 -0.729 1.00 0.00 C ATOM 0 H THR A 80 -7.077 6.858 -3.397 1.00 0.00 H new ATOM 0 HA THR A 80 -4.393 7.096 -2.596 1.00 0.00 H new ATOM 0 HB THR A 80 -6.595 7.324 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.835 8.223 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.546 9.560 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.366 8.229 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.438 9.302 -1.503 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.211 5.563 -0.550 1.00 0.00 N ATOM 1151 CA TYR A 81 -3.962 4.515 0.420 1.00 0.00 C ATOM 1152 C TYR A 81 -3.037 5.021 1.509 1.00 0.00 C ATOM 1153 O TYR A 81 -2.406 6.068 1.376 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.391 3.265 -0.266 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.044 3.506 -0.914 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.982 4.144 -2.166 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -0.860 3.136 -0.254 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.740 4.373 -2.781 1.00 0.00 C ATOM 1159 CE2 TYR A 81 0.385 3.393 -0.855 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.444 3.990 -2.132 1.00 0.00 C ATOM 1161 OH TYR A 81 1.629 4.138 -2.774 1.00 0.00 O ATOM 0 H TYR A 81 -3.496 6.290 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.907 4.232 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.296 2.466 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.095 2.920 -1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.892 4.459 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.906 2.656 0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.696 4.843 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.297 3.133 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 81 2.356 3.829 -2.194 1.00 0.00 H new ATOM 1171 N TYR A 82 -2.988 4.300 2.617 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.196 4.643 3.782 1.00 0.00 C ATOM 1173 C TYR A 82 -2.048 3.441 4.720 1.00 0.00 C ATOM 1174 O TYR A 82 -2.732 2.428 4.572 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.862 5.827 4.514 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.365 5.774 4.749 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -4.877 5.183 5.918 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -5.250 6.399 3.842 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.262 5.211 6.173 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.636 6.432 4.098 1.00 0.00 C ATOM 1181 CZ TYR A 82 -7.150 5.823 5.263 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.488 5.848 5.541 1.00 0.00 O ATOM 0 H TYR A 82 -3.515 3.434 2.732 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.195 4.931 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.377 5.934 5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.645 6.733 3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.208 4.708 6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.861 6.856 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.648 4.759 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.303 6.922 3.404 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.964 6.306 4.817 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.113 3.556 5.657 1.00 0.00 N ATOM 1193 CA CYS A 83 -0.855 2.550 6.681 1.00 0.00 C ATOM 1194 C CYS A 83 -1.490 3.124 7.945 1.00 0.00 C ATOM 1195 O CYS A 83 -0.929 4.044 8.534 1.00 0.00 O ATOM 1196 CB CYS A 83 0.648 2.362 6.861 1.00 0.00 C ATOM 1197 SG CYS A 83 1.174 1.381 8.288 1.00 0.00 S ATOM 0 H CYS A 83 -0.500 4.368 5.727 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.263 1.571 6.428 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.043 1.893 5.960 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.108 3.347 6.936 1.00 0.00 H new ATOM 0 HG CYS A 83 2.459 1.501 8.447 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.637 2.610 8.390 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.346 3.133 9.564 1.00 0.00 C ATOM 1204 C GLU A 84 -2.515 3.589 10.769 1.00 0.00 C ATOM 1205 O GLU A 84 -2.545 4.789 11.071 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.457 2.160 10.015 1.00 0.00 C ATOM 1207 CG GLU A 84 -5.697 2.253 9.128 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.458 3.569 9.304 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -5.845 4.622 9.563 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.688 3.619 9.093 1.00 0.00 O ATOM 0 H GLU A 84 -3.103 1.818 7.948 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.761 4.068 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.074 1.140 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.733 2.378 11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.400 2.148 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.363 1.421 9.355 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.719 2.715 11.418 1.00 0.00 N ATOM 1218 CA PRO A 85 -0.939 3.099 12.589 1.00 0.00 C ATOM 1219 C PRO A 85 0.079 4.209 12.325 1.00 0.00 C ATOM 1220 O PRO A 85 0.564 4.801 13.282 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.276 1.810 13.085 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.210 0.929 11.840 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.479 1.316 11.085 1.00 0.00 C ATOM 0 HA PRO A 85 -1.592 3.538 13.344 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.717 2.002 13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.859 1.340 13.877 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.686 1.126 11.252 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.198 -0.131 12.094 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.352 1.185 10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.320 0.691 11.385 1.00 0.00 H new ATOM 1231 N HIS A 86 0.401 4.538 11.069 1.00 0.00 N ATOM 1232 CA HIS A 86 1.332 5.616 10.733 1.00 0.00 C ATOM 1233 C HIS A 86 0.718 6.714 9.847 1.00 0.00 C ATOM 1234 O HIS A 86 1.451 7.580 9.351 1.00 0.00 O ATOM 1235 CB HIS A 86 2.608 4.989 10.161 1.00 0.00 C ATOM 1236 CG HIS A 86 3.360 4.177 11.179 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.618 2.827 11.116 1.00 0.00 N ATOM 1238 CD2 HIS A 86 3.902 4.654 12.342 1.00 0.00 C ATOM 1239 CE1 HIS A 86 4.306 2.493 12.225 1.00 0.00 C ATOM 1240 NE2 HIS A 86 4.511 3.580 12.988 1.00 0.00 N ATOM 0 H HIS A 86 0.019 4.059 10.253 1.00 0.00 H new ATOM 0 HA HIS A 86 1.588 6.162 11.641 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.348 4.353 9.315 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.257 5.778 9.780 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.865 5.674 12.694 1.00 0.00 H new ATOM 0 HE1 HIS A 86 4.644 1.496 12.466 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.017 3.613 13.873 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.620 6.724 9.684 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.358 7.693 8.858 1.00 0.00 C ATOM 1250 C ARG A 87 -0.986 9.147 9.170 1.00 0.00 C ATOM 1251 O ARG A 87 -0.665 9.894 8.251 1.00 0.00 O ATOM 1252 CB ARG A 87 -2.868 7.401 8.964 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.748 8.532 8.400 1.00 0.00 C ATOM 1254 CD ARG A 87 -5.101 8.061 7.858 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.865 7.195 8.782 1.00 0.00 N ATOM 1256 CZ ARG A 87 -7.052 7.435 9.311 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -7.503 8.658 9.449 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -7.793 6.413 9.668 1.00 0.00 N ATOM 0 H ARG A 87 -1.229 6.041 10.135 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.064 7.567 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.091 6.477 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.127 7.236 10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.920 9.269 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.205 9.037 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.705 8.935 7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.936 7.520 6.926 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.426 6.312 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.934 9.449 9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.422 8.819 9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.449 5.462 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.713 6.569 10.079 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.944 9.514 10.453 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.588 10.854 10.945 1.00 0.00 C ATOM 1274 C GLY A 88 0.910 11.175 10.982 1.00 0.00 C ATOM 1275 O GLY A 88 1.286 12.314 11.259 1.00 0.00 O ATOM 0 H GLY A 88 -1.164 8.865 11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.084 11.594 10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.990 10.969 11.952 1.00 0.00 H new ATOM 1279 N ALA A 89 1.746 10.160 10.721 1.00 0.00 N ATOM 1280 CA ALA A 89 3.207 10.214 10.649 1.00 0.00 C ATOM 1281 C ALA A 89 3.704 10.295 9.190 1.00 0.00 C ATOM 1282 O ALA A 89 4.905 10.404 8.949 1.00 0.00 O ATOM 1283 CB ALA A 89 3.792 9.007 11.395 1.00 0.00 C ATOM 0 H ALA A 89 1.393 9.220 10.543 1.00 0.00 H new ATOM 0 HA ALA A 89 3.556 11.126 11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.880 9.041 11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.475 9.035 12.438 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.436 8.086 10.933 1.00 0.00 H new ATOM 1289 N GLY A 90 2.786 10.208 8.216 1.00 0.00 N ATOM 1290 CA GLY A 90 3.099 10.322 6.794 1.00 0.00 C ATOM 1291 C GLY A 90 3.101 9.019 6.006 1.00 0.00 C ATOM 1292 O GLY A 90 3.456 9.054 4.824 1.00 0.00 O ATOM 0 H GLY A 90 1.795 10.055 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.378 10.999 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.080 10.786 6.694 1.00 0.00 H new ATOM 1296 N MET A 91 2.706 7.882 6.596 1.00 0.00 N ATOM 1297 CA MET A 91 2.678 6.627 5.843 1.00 0.00 C ATOM 1298 C MET A 91 1.386 6.568 4.999 1.00 0.00 C ATOM 1299 O MET A 91 0.490 5.756 5.217 1.00 0.00 O ATOM 1300 CB MET A 91 2.874 5.445 6.794 1.00 0.00 C ATOM 1301 CG MET A 91 3.388 4.215 6.029 1.00 0.00 C ATOM 1302 SD MET A 91 4.147 2.941 7.070 1.00 0.00 S ATOM 1303 CE MET A 91 4.610 1.760 5.779 1.00 0.00 C ATOM 0 H MET A 91 2.409 7.808 7.569 1.00 0.00 H new ATOM 0 HA MET A 91 3.505 6.571 5.135 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.582 5.715 7.577 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.931 5.206 7.286 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.557 3.770 5.482 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.118 4.543 5.289 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.097 0.897 6.233 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.716 1.434 5.247 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.296 2.237 5.079 1.00 0.00 H new ATOM 1313 N VAL A 92 1.286 7.470 4.020 1.00 0.00 N ATOM 1314 CA VAL A 92 0.192 7.720 3.078 1.00 0.00 C ATOM 1315 C VAL A 92 0.740 7.932 1.656 1.00 0.00 C ATOM 1316 O VAL A 92 1.856 8.424 1.479 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.653 8.905 3.607 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.143 10.207 3.783 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.856 9.238 2.707 1.00 0.00 C ATOM 0 H VAL A 92 2.057 8.116 3.849 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.467 6.854 3.007 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.991 8.547 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.517 10.990 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.953 10.045 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.560 10.511 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.407 10.077 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.503 9.504 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.511 8.370 2.640 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.048 7.547 0.640 1.00 0.00 N ATOM 1330 CA GLY A 93 0.321 7.624 -0.783 1.00 0.00 C ATOM 1331 C GLY A 93 -0.868 7.617 -1.760 1.00 0.00 C ATOM 1332 O GLY A 93 -2.027 7.581 -1.334 1.00 0.00 O ATOM 0 H GLY A 93 -0.982 7.164 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.901 8.533 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.973 6.784 -1.021 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.572 7.625 -3.077 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.569 7.663 -4.174 1.00 0.00 C ATOM 1338 C LYS A 94 -1.161 6.853 -5.428 1.00 0.00 C ATOM 1339 O LYS A 94 -0.133 7.110 -6.047 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.873 9.131 -4.543 1.00 0.00 C ATOM 1341 CG LYS A 94 -3.153 9.273 -5.393 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.413 9.586 -4.572 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.699 9.373 -5.388 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.912 9.778 -4.637 1.00 0.00 N ATOM 0 H LYS A 94 0.389 7.605 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.468 7.174 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.980 9.717 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.028 9.547 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.004 10.064 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.313 8.349 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.436 8.951 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.372 10.618 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.639 9.945 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.780 8.323 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.719 9.197 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.752 9.641 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.117 10.781 -4.823 1.00 0.00 H new ATOM 1358 N VAL A 95 -1.990 5.873 -5.805 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.859 4.996 -6.972 1.00 0.00 C ATOM 1360 C VAL A 95 -2.596 5.641 -8.129 1.00 0.00 C ATOM 1361 O VAL A 95 -3.634 6.280 -7.918 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.523 3.616 -6.731 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.173 2.625 -7.850 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -2.073 2.973 -5.423 1.00 0.00 C ATOM 0 H VAL A 95 -2.828 5.658 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.797 4.855 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.594 3.815 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.654 1.667 -7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.524 3.016 -8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.092 2.487 -7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.567 2.009 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.993 2.827 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.337 3.623 -4.589 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.113 5.423 -9.349 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.734 5.926 -10.564 1.00 0.00 C ATOM 1376 C VAL A 96 -2.950 4.739 -11.472 1.00 0.00 C ATOM 1377 O VAL A 96 -2.016 3.949 -11.666 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.858 6.986 -11.232 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.510 7.470 -12.534 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.610 8.199 -10.324 1.00 0.00 C ATOM 0 H VAL A 96 -1.265 4.883 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.683 6.412 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.898 6.513 -11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.876 8.225 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.632 6.628 -13.215 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.486 7.902 -12.313 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.983 8.922 -10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.563 8.663 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.108 7.875 -9.412 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.196 4.596 -11.951 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.572 3.509 -12.842 1.00 0.00 C ATOM 1392 C VAL A 97 -5.225 4.020 -14.133 1.00 0.00 C ATOM 1393 O VAL A 97 -6.065 4.927 -14.124 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.446 2.433 -12.155 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -5.121 2.200 -10.673 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.946 2.622 -12.344 1.00 0.00 C ATOM 0 H VAL A 97 -4.961 5.232 -11.727 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.638 3.018 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.164 1.528 -12.693 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.781 1.431 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.085 1.877 -10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.266 3.127 -10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.481 1.824 -11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.246 3.585 -11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.185 2.593 -13.407 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.822 3.328 -15.200 1.00 0.00 N ATOM 1407 CA GLU A 98 -5.077 3.402 -16.649 1.00 0.00 C ATOM 1408 C GLU A 98 -3.887 4.143 -17.303 1.00 0.00 C ATOM 1409 O GLU A 98 -3.365 5.099 -16.692 1.00 0.00 O ATOM 1410 CB GLU A 98 -6.436 4.038 -17.026 1.00 0.00 C ATOM 1411 CG GLU A 98 -6.475 5.510 -17.486 1.00 0.00 C ATOM 1412 CD GLU A 98 -6.156 5.694 -18.990 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -6.181 4.694 -19.759 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -5.973 6.862 -19.396 1.00 0.00 O ATOM 1415 OXT GLU A 98 -3.482 3.703 -18.403 1.00 0.00 O ATOM 0 H GLU A 98 -4.184 2.550 -15.032 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.154 2.385 -17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.872 3.434 -17.822 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.092 3.947 -16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.463 5.921 -17.279 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.760 6.086 -16.898 1.00 0.00 H new