USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 682 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 22 THR OG1 : rot 180:sc= -0.0205 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 130:sc= 1.21 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.672 USER MOD Single : A 9 SER OG : rot -53:sc= 0.112 USER MOD Single : A 13 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.7) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.0037) USER MOD Single : A 18 THR OG1 : rot -38:sc= 0.44 USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 70:sc= -0.862 USER MOD Single : A 45 THR OG1 : rot 151:sc= -0.0547! USER MOD Single : A 52 ASN :FLIP amide:sc= -0.928 F(o=-1.9!,f=-0.93) USER MOD Single : A 53 SER OG : rot 92:sc= 0.0033 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.158 X(o=0.16,f=-0.023) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 59 ASN : amide:sc= -4.89! C(o=-4.9!,f=-6.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0672 USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.693 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -110:sc= -0.211 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.955 USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0781) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 76:sc= -2.85! USER MOD Single : A 95 SER OG : rot -178:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc=-0.000741 X(o=-0.00074,f=0) USER MOD Single : A 98 SER OG : rot -150:sc= -0.0446 USER MOD Single : A 100 THR OG1 : rot -141:sc= -0.19 USER MOD Single : A 101 MET CE :methyl -109:sc= -2.05 (180deg=-5.76!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.124 -14.645 -4.496 1.00 0.00 N ATOM 67 CA PRO A 8 -4.486 -14.122 -4.648 1.00 0.00 C ATOM 68 C PRO A 8 -4.690 -13.416 -5.983 1.00 0.00 C ATOM 69 O PRO A 8 -3.761 -12.825 -6.533 1.00 0.00 O ATOM 70 CB PRO A 8 -4.614 -13.127 -3.491 1.00 0.00 C ATOM 71 CG PRO A 8 -3.215 -12.706 -3.197 1.00 0.00 C ATOM 72 CD PRO A 8 -2.353 -13.904 -3.484 1.00 0.00 C ATOM 0 HA PRO A 8 -5.232 -14.916 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.234 -12.275 -3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.079 -13.590 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.924 -11.858 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.112 -12.391 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.372 -13.612 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.186 -14.503 -2.589 1.00 0.00 H new ATOM 80 N SER A 9 -5.913 -13.480 -6.500 1.00 0.00 N ATOM 81 CA SER A 9 -6.239 -12.849 -7.774 1.00 0.00 C ATOM 82 C SER A 9 -7.116 -11.619 -7.562 1.00 0.00 C ATOM 83 O SER A 9 -7.930 -11.268 -8.416 1.00 0.00 O ATOM 84 CB SER A 9 -6.950 -13.844 -8.693 1.00 0.00 C ATOM 85 OG SER A 9 -6.888 -13.424 -10.045 1.00 0.00 O ATOM 0 H SER A 9 -6.695 -13.962 -6.056 1.00 0.00 H new ATOM 0 HA SER A 9 -5.308 -12.533 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.491 -14.828 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.991 -13.945 -8.388 1.00 0.00 H new ATOM 0 HG SER A 9 -7.213 -12.502 -10.116 1.00 0.00 H new ATOM 91 N GLY A 10 -6.943 -10.967 -6.416 1.00 0.00 N ATOM 92 CA GLY A 10 -7.725 -9.783 -6.112 1.00 0.00 C ATOM 93 C GLY A 10 -6.966 -8.792 -5.252 1.00 0.00 C ATOM 94 O GLY A 10 -5.929 -9.124 -4.678 1.00 0.00 O ATOM 0 H GLY A 10 -6.276 -11.238 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.022 -9.299 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.641 -10.078 -5.599 1.00 0.00 H new ATOM 98 N PHE A 11 -7.482 -7.570 -5.164 1.00 0.00 N ATOM 99 CA PHE A 11 -6.844 -6.526 -4.371 1.00 0.00 C ATOM 100 C PHE A 11 -7.848 -5.867 -3.431 1.00 0.00 C ATOM 101 O PHE A 11 -9.054 -5.858 -3.678 1.00 0.00 O ATOM 102 CB PHE A 11 -6.217 -5.472 -5.286 1.00 0.00 C ATOM 103 CG PHE A 11 -7.147 -4.978 -6.356 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.314 -5.692 -7.532 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.855 -3.799 -6.187 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.169 -5.239 -8.518 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.711 -3.340 -7.170 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.870 -4.062 -8.337 1.00 0.00 C ATOM 0 H PHE A 11 -8.340 -7.279 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.060 -6.988 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.889 -4.626 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.327 -5.892 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.770 -6.613 -7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.736 -3.232 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.290 -5.805 -9.430 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.255 -2.418 -7.026 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.540 -3.707 -9.106 1.00 0.00 H new ATOM 118 N PRO A 12 -7.341 -5.302 -2.325 1.00 0.00 N ATOM 119 CA PRO A 12 -8.176 -4.630 -1.325 1.00 0.00 C ATOM 120 C PRO A 12 -8.761 -3.321 -1.844 1.00 0.00 C ATOM 121 O PRO A 12 -8.356 -2.823 -2.894 1.00 0.00 O ATOM 122 CB PRO A 12 -7.203 -4.362 -0.174 1.00 0.00 C ATOM 123 CG PRO A 12 -5.861 -4.308 -0.817 1.00 0.00 C ATOM 124 CD PRO A 12 -5.913 -5.275 -1.966 1.00 0.00 C ATOM 0 HA PRO A 12 -9.038 -5.233 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.437 -3.426 0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.251 -5.151 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.636 -3.300 -1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.078 -4.584 -0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.295 -4.942 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.553 -6.262 -1.677 1.00 0.00 H new ATOM 132 N GLN A 13 -9.715 -2.769 -1.101 1.00 0.00 N ATOM 133 CA GLN A 13 -10.355 -1.517 -1.487 1.00 0.00 C ATOM 134 C GLN A 13 -10.288 -0.499 -0.354 1.00 0.00 C ATOM 135 O GLN A 13 -9.768 -0.788 0.723 1.00 0.00 O ATOM 136 CB GLN A 13 -11.813 -1.766 -1.880 1.00 0.00 C ATOM 137 CG GLN A 13 -12.047 -3.125 -2.520 1.00 0.00 C ATOM 138 CD GLN A 13 -11.388 -3.251 -3.879 1.00 0.00 C ATOM 139 OE1 GLN A 13 -10.867 -2.277 -4.422 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.409 -4.456 -4.437 1.00 0.00 N ATOM 0 H GLN A 13 -10.062 -3.169 -0.229 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.818 -1.113 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.440 -1.679 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.132 -0.988 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.663 -3.904 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.119 -3.294 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.852 -5.236 -3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.982 -4.602 -5.352 1.00 0.00 H new ATOM 149 N ASN A 14 -10.818 0.694 -0.604 1.00 0.00 N ATOM 150 CA ASN A 14 -10.818 1.756 0.395 1.00 0.00 C ATOM 151 C ASN A 14 -9.392 2.165 0.754 1.00 0.00 C ATOM 152 O ASN A 14 -9.107 2.529 1.896 1.00 0.00 O ATOM 153 CB ASN A 14 -11.561 1.302 1.653 1.00 0.00 C ATOM 154 CG ASN A 14 -13.042 1.624 1.597 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.645 1.435 0.429 1.00 0.00 O flip ATOM 156 ND2 ASN A 14 -13.636 2.039 2.592 1.00 0.00 N flip ATOM 0 H ASN A 14 -11.253 0.949 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.330 2.620 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.430 0.228 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.120 1.783 2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.132 2.169 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.632 2.253 2.539 1.00 0.00 H new ATOM 163 N LEU A 15 -8.500 2.102 -0.228 1.00 0.00 N ATOM 164 CA LEU A 15 -7.103 2.466 -0.018 1.00 0.00 C ATOM 165 C LEU A 15 -6.921 3.980 -0.072 1.00 0.00 C ATOM 166 O LEU A 15 -6.956 4.582 -1.145 1.00 0.00 O ATOM 167 CB LEU A 15 -6.217 1.797 -1.069 1.00 0.00 C ATOM 168 CG LEU A 15 -4.709 1.877 -0.826 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.342 1.188 0.480 1.00 0.00 C ATOM 170 CD2 LEU A 15 -3.948 1.258 -1.989 1.00 0.00 C ATOM 0 H LEU A 15 -8.719 1.802 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.808 2.118 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.499 0.746 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.433 2.248 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.427 2.927 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.265 1.255 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.860 1.675 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.638 0.140 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.877 1.324 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.234 0.212 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.187 1.795 -2.907 1.00 0.00 H new ATOM 182 N HIS A 16 -6.725 4.589 1.094 1.00 0.00 N ATOM 183 CA HIS A 16 -6.534 6.033 1.179 1.00 0.00 C ATOM 184 C HIS A 16 -5.789 6.407 2.457 1.00 0.00 C ATOM 185 O HIS A 16 -5.371 5.538 3.222 1.00 0.00 O ATOM 186 CB HIS A 16 -7.883 6.750 1.132 1.00 0.00 C ATOM 187 CG HIS A 16 -8.859 6.260 2.157 1.00 0.00 C ATOM 188 ND1 HIS A 16 -10.019 5.589 1.831 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.840 6.344 3.508 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.673 5.284 2.938 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.979 5.730 3.969 1.00 0.00 N ATOM 0 H HIS A 16 -6.694 4.106 1.992 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.935 6.347 0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.722 7.818 1.277 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.317 6.625 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.073 6.807 4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.615 4.759 2.991 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.245 5.634 4.949 1.00 0.00 H new ATOM 200 N VAL A 17 -5.626 7.708 2.681 1.00 0.00 N ATOM 201 CA VAL A 17 -4.932 8.198 3.866 1.00 0.00 C ATOM 202 C VAL A 17 -5.918 8.734 4.898 1.00 0.00 C ATOM 203 O VAL A 17 -6.914 9.368 4.550 1.00 0.00 O ATOM 204 CB VAL A 17 -3.925 9.307 3.508 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.604 10.406 2.705 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.286 9.873 4.768 1.00 0.00 C ATOM 0 H VAL A 17 -5.965 8.441 2.058 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.392 7.351 4.290 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.137 8.874 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.877 11.181 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.010 9.986 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.413 10.840 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.577 10.655 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.060 10.292 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.763 9.078 5.299 1.00 0.00 H new ATOM 216 N THR A 18 -5.633 8.477 6.170 1.00 0.00 N ATOM 217 CA THR A 18 -6.494 8.933 7.254 1.00 0.00 C ATOM 218 C THR A 18 -5.856 10.091 8.013 1.00 0.00 C ATOM 219 O THR A 18 -6.472 10.677 8.902 1.00 0.00 O ATOM 220 CB THR A 18 -6.803 7.794 8.244 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.795 8.219 9.185 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.546 7.365 8.984 1.00 0.00 C ATOM 0 H THR A 18 -4.812 7.955 6.475 1.00 0.00 H new ATOM 0 HA THR A 18 -7.425 9.270 6.797 1.00 0.00 H new ATOM 0 HB THR A 18 -7.181 6.942 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.638 9.156 9.425 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.789 6.560 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.803 7.015 8.267 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.143 8.212 9.539 1.00 0.00 H new ATOM 230 N GLY A 19 -4.618 10.417 7.654 1.00 0.00 N ATOM 231 CA GLY A 19 -3.918 11.505 8.312 1.00 0.00 C ATOM 232 C GLY A 19 -2.463 11.594 7.895 1.00 0.00 C ATOM 233 O GLY A 19 -1.571 11.180 8.637 1.00 0.00 O ATOM 0 H GLY A 19 -4.088 9.948 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.417 12.446 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.976 11.370 9.392 1.00 0.00 H new ATOM 237 N LEU A 20 -2.221 12.133 6.705 1.00 0.00 N ATOM 238 CA LEU A 20 -0.864 12.273 6.190 1.00 0.00 C ATOM 239 C LEU A 20 -0.057 13.249 7.039 1.00 0.00 C ATOM 240 O LEU A 20 -0.593 13.897 7.939 1.00 0.00 O ATOM 241 CB LEU A 20 -0.896 12.748 4.737 1.00 0.00 C ATOM 242 CG LEU A 20 -1.945 13.809 4.400 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.930 14.922 5.436 1.00 0.00 C ATOM 244 CD2 LEU A 20 -1.707 14.371 3.006 1.00 0.00 C ATOM 0 H LEU A 20 -2.947 12.480 6.079 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.382 11.297 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.087 13.145 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.065 11.882 4.096 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.928 13.339 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.683 15.668 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.151 14.507 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.946 15.391 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.463 15.124 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.717 14.826 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.770 13.566 2.274 1.00 0.00 H new ATOM 256 N THR A 21 1.236 13.352 6.747 1.00 0.00 N ATOM 257 CA THR A 21 2.117 14.251 7.482 1.00 0.00 C ATOM 258 C THR A 21 3.187 14.840 6.570 1.00 0.00 C ATOM 259 O THR A 21 3.587 14.221 5.584 1.00 0.00 O ATOM 260 CB THR A 21 2.801 13.528 8.658 1.00 0.00 C ATOM 261 OG1 THR A 21 1.939 12.509 9.175 1.00 0.00 O ATOM 262 CG2 THR A 21 3.155 14.510 9.764 1.00 0.00 C ATOM 0 H THR A 21 1.696 12.823 6.006 1.00 0.00 H new ATOM 0 HA THR A 21 1.494 15.056 7.872 1.00 0.00 H new ATOM 0 HB THR A 21 3.720 13.072 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.434 11.666 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.637 13.977 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.835 15.267 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.247 14.991 10.128 1.00 0.00 H new ATOM 270 N THR A 22 3.649 16.040 6.906 1.00 0.00 N ATOM 271 CA THR A 22 4.673 16.714 6.117 1.00 0.00 C ATOM 272 C THR A 22 5.806 15.760 5.759 1.00 0.00 C ATOM 273 O THR A 22 6.312 15.775 4.636 1.00 0.00 O ATOM 274 CB THR A 22 5.255 17.925 6.869 1.00 0.00 C ATOM 275 OG1 THR A 22 5.933 17.488 8.053 1.00 0.00 O ATOM 276 CG2 THR A 22 4.157 18.910 7.242 1.00 0.00 C ATOM 0 H THR A 22 3.330 16.566 7.720 1.00 0.00 H new ATOM 0 HA THR A 22 4.191 17.061 5.203 1.00 0.00 H new ATOM 0 HB THR A 22 5.963 18.427 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.302 18.264 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.593 19.757 7.772 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.663 19.264 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.428 18.416 7.884 1.00 0.00 H new ATOM 284 N SER A 23 6.201 14.930 6.719 1.00 0.00 N ATOM 285 CA SER A 23 7.278 13.970 6.505 1.00 0.00 C ATOM 286 C SER A 23 6.724 12.555 6.363 1.00 0.00 C ATOM 287 O SER A 23 7.105 11.814 5.456 1.00 0.00 O ATOM 288 CB SER A 23 8.277 14.025 7.662 1.00 0.00 C ATOM 289 OG SER A 23 9.036 15.221 7.624 1.00 0.00 O ATOM 0 H SER A 23 5.791 14.903 7.653 1.00 0.00 H new ATOM 0 HA SER A 23 7.790 14.236 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.744 13.959 8.610 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.945 13.165 7.611 1.00 0.00 H new ATOM 0 HG SER A 23 9.666 15.233 8.375 1.00 0.00 H new ATOM 295 N THR A 24 5.822 12.186 7.267 1.00 0.00 N ATOM 296 CA THR A 24 5.216 10.861 7.245 1.00 0.00 C ATOM 297 C THR A 24 3.836 10.898 6.599 1.00 0.00 C ATOM 298 O THR A 24 3.279 11.970 6.361 1.00 0.00 O ATOM 299 CB THR A 24 5.091 10.277 8.665 1.00 0.00 C ATOM 300 OG1 THR A 24 4.022 10.921 9.367 1.00 0.00 O ATOM 301 CG2 THR A 24 6.389 10.450 9.438 1.00 0.00 C ATOM 0 H THR A 24 5.495 12.787 8.024 1.00 0.00 H new ATOM 0 HA THR A 24 5.873 10.223 6.654 1.00 0.00 H new ATOM 0 HB THR A 24 4.878 9.211 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.948 10.543 10.268 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.276 10.030 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.195 9.934 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.628 11.511 9.515 1.00 0.00 H new ATOM 309 N THR A 25 3.287 9.720 6.318 1.00 0.00 N ATOM 310 CA THR A 25 1.972 9.618 5.699 1.00 0.00 C ATOM 311 C THR A 25 1.223 8.387 6.198 1.00 0.00 C ATOM 312 O THR A 25 1.696 7.261 6.051 1.00 0.00 O ATOM 313 CB THR A 25 2.077 9.553 4.164 1.00 0.00 C ATOM 314 OG1 THR A 25 2.268 10.868 3.630 1.00 0.00 O ATOM 315 CG2 THR A 25 0.825 8.933 3.561 1.00 0.00 C ATOM 0 H THR A 25 3.733 8.823 6.510 1.00 0.00 H new ATOM 0 HA THR A 25 1.420 10.515 5.981 1.00 0.00 H new ATOM 0 HB THR A 25 2.933 8.928 3.907 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.336 10.818 2.654 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.923 8.898 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.698 7.922 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.044 9.535 3.828 1.00 0.00 H new ATOM 323 N GLU A 26 0.053 8.611 6.789 1.00 0.00 N ATOM 324 CA GLU A 26 -0.760 7.518 7.309 1.00 0.00 C ATOM 325 C GLU A 26 -1.577 6.869 6.196 1.00 0.00 C ATOM 326 O GLU A 26 -1.733 7.436 5.114 1.00 0.00 O ATOM 327 CB GLU A 26 -1.693 8.027 8.411 1.00 0.00 C ATOM 328 CG GLU A 26 -0.999 8.242 9.745 1.00 0.00 C ATOM 329 CD GLU A 26 -1.970 8.281 10.908 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.084 8.819 10.733 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.618 7.775 11.994 1.00 0.00 O ATOM 0 H GLU A 26 -0.352 9.538 6.919 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.089 6.768 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.143 8.966 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.506 7.314 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.276 7.443 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.439 9.177 9.713 1.00 0.00 H new ATOM 338 N LEU A 27 -2.095 5.677 6.468 1.00 0.00 N ATOM 339 CA LEU A 27 -2.895 4.948 5.490 1.00 0.00 C ATOM 340 C LEU A 27 -4.004 4.156 6.175 1.00 0.00 C ATOM 341 O LEU A 27 -3.958 3.922 7.383 1.00 0.00 O ATOM 342 CB LEU A 27 -2.008 4.006 4.676 1.00 0.00 C ATOM 343 CG LEU A 27 -0.778 4.638 4.023 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.129 3.565 3.441 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.195 5.628 2.946 1.00 0.00 C ATOM 0 H LEU A 27 -1.975 5.194 7.358 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.354 5.674 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.674 3.200 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.616 3.552 3.894 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.222 5.178 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.999 4.034 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.456 2.895 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.417 2.996 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.307 6.068 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.775 5.111 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.803 6.416 3.391 1.00 0.00 H new ATOM 357 N ALA A 28 -4.999 3.744 5.396 1.00 0.00 N ATOM 358 CA ALA A 28 -6.117 2.975 5.927 1.00 0.00 C ATOM 359 C ALA A 28 -6.929 2.340 4.803 1.00 0.00 C ATOM 360 O ALA A 28 -7.628 3.032 4.062 1.00 0.00 O ATOM 361 CB ALA A 28 -7.005 3.860 6.788 1.00 0.00 C ATOM 0 H ALA A 28 -5.053 3.930 4.395 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.714 2.174 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.836 3.272 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.423 4.261 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.393 4.682 6.186 1.00 0.00 H new ATOM 367 N TRP A 29 -6.832 1.021 4.681 1.00 0.00 N ATOM 368 CA TRP A 29 -7.558 0.294 3.646 1.00 0.00 C ATOM 369 C TRP A 29 -8.299 -0.900 4.238 1.00 0.00 C ATOM 370 O TRP A 29 -8.204 -1.170 5.435 1.00 0.00 O ATOM 371 CB TRP A 29 -6.595 -0.178 2.555 1.00 0.00 C ATOM 372 CG TRP A 29 -5.562 -1.144 3.051 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.614 -2.506 2.980 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.325 -0.820 3.695 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.483 -3.049 3.542 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.677 -2.036 3.987 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.702 0.379 4.052 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.437 -2.085 4.619 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.472 0.328 4.680 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.850 -0.896 4.958 1.00 0.00 C ATOM 0 H TRP A 29 -6.258 0.433 5.286 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.290 0.971 3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.167 -0.648 1.754 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.094 0.688 2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.424 -3.073 2.546 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.278 -4.045 3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.173 1.328 3.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.956 -3.028 4.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.982 1.248 4.961 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.888 -0.902 5.450 1.00 0.00 H new ATOM 391 N ASP A 30 -9.036 -1.611 3.392 1.00 0.00 N ATOM 392 CA ASP A 30 -9.793 -2.778 3.832 1.00 0.00 C ATOM 393 C ASP A 30 -9.373 -4.022 3.056 1.00 0.00 C ATOM 394 O ASP A 30 -8.765 -3.942 1.988 1.00 0.00 O ATOM 395 CB ASP A 30 -11.293 -2.534 3.658 1.00 0.00 C ATOM 396 CG ASP A 30 -11.929 -1.932 4.896 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.323 -2.033 5.982 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.034 -1.362 4.777 1.00 0.00 O ATOM 0 H ASP A 30 -9.126 -1.400 2.398 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.580 -2.942 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.454 -1.868 2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.786 -3.477 3.421 1.00 0.00 H new ATOM 403 N PRO A 31 -9.704 -5.201 3.603 1.00 0.00 N ATOM 404 CA PRO A 31 -9.371 -6.485 2.979 1.00 0.00 C ATOM 405 C PRO A 31 -10.176 -6.738 1.708 1.00 0.00 C ATOM 406 O PRO A 31 -11.195 -6.096 1.452 1.00 0.00 O ATOM 407 CB PRO A 31 -9.737 -7.509 4.056 1.00 0.00 C ATOM 408 CG PRO A 31 -10.778 -6.834 4.882 1.00 0.00 C ATOM 409 CD PRO A 31 -10.429 -5.371 4.873 1.00 0.00 C ATOM 0 HA PRO A 31 -8.327 -6.528 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.118 -8.430 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.869 -7.779 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.773 -7.000 4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.785 -7.227 5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.320 -4.745 4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.810 -5.100 5.728 1.00 0.00 H new ATOM 417 N PRO A 32 -9.710 -7.695 0.893 1.00 0.00 N ATOM 418 CA PRO A 32 -10.372 -8.055 -0.365 1.00 0.00 C ATOM 419 C PRO A 32 -11.704 -8.762 -0.136 1.00 0.00 C ATOM 420 O PRO A 32 -11.925 -9.369 0.911 1.00 0.00 O ATOM 421 CB PRO A 32 -9.373 -9.002 -1.034 1.00 0.00 C ATOM 422 CG PRO A 32 -8.586 -9.580 0.092 1.00 0.00 C ATOM 423 CD PRO A 32 -8.501 -8.500 1.135 1.00 0.00 C ATOM 0 HA PRO A 32 -10.614 -7.177 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.884 -9.781 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.730 -8.469 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.072 -10.470 0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.592 -9.881 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.490 -8.915 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.594 -7.906 1.025 1.00 0.00 H new ATOM 560 N ILE A 41 -5.720 -14.405 3.835 1.00 0.00 N ATOM 561 CA ILE A 41 -4.737 -13.332 3.920 1.00 0.00 C ATOM 562 C ILE A 41 -3.830 -13.512 5.132 1.00 0.00 C ATOM 563 O ILE A 41 -4.233 -14.091 6.141 1.00 0.00 O ATOM 564 CB ILE A 41 -5.415 -11.952 4.000 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.518 -11.839 2.946 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.387 -10.845 3.819 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.089 -12.301 1.571 1.00 0.00 C ATOM 0 HA ILE A 41 -4.138 -13.381 3.011 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.868 -11.843 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.377 -12.428 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.847 -10.802 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.882 -9.876 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.634 -10.916 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.908 -10.949 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.921 -12.193 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.249 -11.696 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.788 -13.348 1.616 1.00 0.00 H new ATOM 579 N ILE A 42 -2.604 -13.010 5.027 1.00 0.00 N ATOM 580 CA ILE A 42 -1.641 -13.113 6.116 1.00 0.00 C ATOM 581 C ILE A 42 -0.986 -11.765 6.400 1.00 0.00 C ATOM 582 O ILE A 42 -0.661 -11.450 7.545 1.00 0.00 O ATOM 583 CB ILE A 42 -0.544 -14.148 5.803 1.00 0.00 C ATOM 584 CG1 ILE A 42 -0.271 -14.194 4.298 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.951 -15.522 6.315 1.00 0.00 C ATOM 586 CD1 ILE A 42 0.936 -15.027 3.928 1.00 0.00 C ATOM 0 H ILE A 42 -2.254 -12.528 4.199 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.195 -13.438 6.997 1.00 0.00 H new ATOM 0 HB ILE A 42 0.373 -13.849 6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.148 -14.594 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.127 -13.178 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.166 -16.243 6.086 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.101 -15.479 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.878 -15.830 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.069 -15.014 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.824 -14.614 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.786 -16.053 4.263 1.00 0.00 H new ATOM 598 N SER A 43 -0.796 -10.973 5.350 1.00 0.00 N ATOM 599 CA SER A 43 -0.178 -9.659 5.486 1.00 0.00 C ATOM 600 C SER A 43 -0.348 -8.844 4.207 1.00 0.00 C ATOM 601 O SER A 43 -0.918 -9.321 3.225 1.00 0.00 O ATOM 602 CB SER A 43 1.308 -9.803 5.818 1.00 0.00 C ATOM 603 OG SER A 43 2.085 -9.925 4.640 1.00 0.00 O ATOM 0 H SER A 43 -1.061 -11.218 4.396 1.00 0.00 H new ATOM 0 HA SER A 43 -0.676 -9.133 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.642 -8.937 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.459 -10.679 6.449 1.00 0.00 H new ATOM 0 HG SER A 43 3.031 -10.014 4.880 1.00 0.00 H new ATOM 609 N TYR A 44 0.150 -7.613 4.227 1.00 0.00 N ATOM 610 CA TYR A 44 0.052 -6.730 3.071 1.00 0.00 C ATOM 611 C TYR A 44 1.359 -5.975 2.850 1.00 0.00 C ATOM 612 O TYR A 44 2.173 -5.835 3.764 1.00 0.00 O ATOM 613 CB TYR A 44 -1.098 -5.739 3.256 1.00 0.00 C ATOM 614 CG TYR A 44 -2.457 -6.396 3.334 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.828 -7.142 4.445 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.372 -6.269 2.295 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.069 -7.744 4.519 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.615 -6.867 2.361 1.00 0.00 C ATOM 619 CZ TYR A 44 -4.959 -7.604 3.475 1.00 0.00 C ATOM 620 OH TYR A 44 -6.197 -8.201 3.546 1.00 0.00 O ATOM 0 H TYR A 44 0.626 -7.204 5.031 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.145 -7.344 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.929 -5.165 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.093 -5.031 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.134 -7.253 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.106 -5.693 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.341 -8.321 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.314 -6.758 1.545 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.742 -7.744 4.220 1.00 0.00 H new ATOM 630 N THR A 45 1.554 -5.488 1.628 1.00 0.00 N ATOM 631 CA THR A 45 2.761 -4.747 1.285 1.00 0.00 C ATOM 632 C THR A 45 2.422 -3.361 0.749 1.00 0.00 C ATOM 633 O THR A 45 1.886 -3.223 -0.350 1.00 0.00 O ATOM 634 CB THR A 45 3.603 -5.498 0.236 1.00 0.00 C ATOM 635 OG1 THR A 45 3.915 -6.813 0.709 1.00 0.00 O ATOM 636 CG2 THR A 45 4.888 -4.744 -0.068 1.00 0.00 C ATOM 0 H THR A 45 0.891 -5.594 0.860 1.00 0.00 H new ATOM 0 HA THR A 45 3.341 -4.647 2.202 1.00 0.00 H new ATOM 0 HB THR A 45 3.019 -5.571 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.012 -7.420 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.465 -5.294 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.646 -3.754 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.475 -4.642 0.845 1.00 0.00 H new ATOM 644 N VAL A 46 2.738 -2.334 1.533 1.00 0.00 N ATOM 645 CA VAL A 46 2.468 -0.958 1.136 1.00 0.00 C ATOM 646 C VAL A 46 3.646 -0.366 0.370 1.00 0.00 C ATOM 647 O VAL A 46 4.599 0.137 0.965 1.00 0.00 O ATOM 648 CB VAL A 46 2.167 -0.070 2.359 1.00 0.00 C ATOM 649 CG1 VAL A 46 1.991 1.380 1.935 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.933 -0.574 3.091 1.00 0.00 C ATOM 0 H VAL A 46 3.181 -2.430 2.447 1.00 0.00 H new ATOM 0 HA VAL A 46 1.592 -0.981 0.488 1.00 0.00 H new ATOM 0 HB VAL A 46 3.014 -0.123 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.779 1.992 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.905 1.733 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.162 1.455 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.735 0.064 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.076 -0.552 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.103 -1.596 3.429 1.00 0.00 H new ATOM 660 N VAL A 47 3.573 -0.428 -0.956 1.00 0.00 N ATOM 661 CA VAL A 47 4.632 0.103 -1.806 1.00 0.00 C ATOM 662 C VAL A 47 4.417 1.585 -2.091 1.00 0.00 C ATOM 663 O VAL A 47 3.500 1.961 -2.821 1.00 0.00 O ATOM 664 CB VAL A 47 4.715 -0.659 -3.142 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.732 -0.007 -4.066 1.00 0.00 C ATOM 666 CG2 VAL A 47 5.059 -2.120 -2.901 1.00 0.00 C ATOM 0 H VAL A 47 2.791 -0.841 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 47 5.568 -0.027 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 47 3.740 -0.615 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.777 -0.559 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.436 1.023 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.713 -0.017 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.114 -2.643 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.022 -2.188 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.289 -2.577 -2.280 1.00 0.00 H new ATOM 676 N PHE A 48 5.268 2.423 -1.509 1.00 0.00 N ATOM 677 CA PHE A 48 5.171 3.866 -1.699 1.00 0.00 C ATOM 678 C PHE A 48 6.375 4.394 -2.474 1.00 0.00 C ATOM 679 O PHE A 48 7.512 3.991 -2.226 1.00 0.00 O ATOM 680 CB PHE A 48 5.069 4.575 -0.347 1.00 0.00 C ATOM 681 CG PHE A 48 6.217 4.276 0.575 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.341 3.028 1.165 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.171 5.241 0.850 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.396 2.751 2.014 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.228 4.970 1.698 1.00 0.00 C ATOM 686 CZ PHE A 48 8.341 3.722 2.280 1.00 0.00 C ATOM 0 H PHE A 48 6.033 2.128 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 48 4.270 4.071 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.018 5.651 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.138 4.282 0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.606 2.264 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.088 6.218 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.481 1.775 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.964 5.732 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.167 3.506 2.942 1.00 0.00 H new ATOM 696 N ARG A 49 6.117 5.299 -3.413 1.00 0.00 N ATOM 697 CA ARG A 49 7.178 5.881 -4.225 1.00 0.00 C ATOM 698 C ARG A 49 6.770 7.255 -4.748 1.00 0.00 C ATOM 699 O ARG A 49 5.627 7.461 -5.155 1.00 0.00 O ATOM 700 CB ARG A 49 7.518 4.958 -5.397 1.00 0.00 C ATOM 701 CG ARG A 49 8.436 5.595 -6.427 1.00 0.00 C ATOM 702 CD ARG A 49 8.398 4.842 -7.748 1.00 0.00 C ATOM 703 NE ARG A 49 7.065 4.850 -8.344 1.00 0.00 N ATOM 704 CZ ARG A 49 6.713 4.079 -9.367 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.590 3.242 -9.904 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.480 4.143 -9.855 1.00 0.00 N ATOM 0 H ARG A 49 5.182 5.645 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 49 8.060 5.997 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.990 4.054 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.594 4.651 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.139 6.631 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.457 5.611 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.108 5.291 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.717 3.812 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 49 6.366 5.482 -7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.538 3.189 -9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.316 2.651 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.802 4.785 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.211 3.551 -10.640 1.00 0.00 H new ATOM 720 N ASP A 50 7.712 8.192 -4.733 1.00 0.00 N ATOM 721 CA ASP A 50 7.451 9.546 -5.206 1.00 0.00 C ATOM 722 C ASP A 50 7.372 9.584 -6.729 1.00 0.00 C ATOM 723 O ASP A 50 8.365 9.350 -7.418 1.00 0.00 O ATOM 724 CB ASP A 50 8.543 10.500 -4.716 1.00 0.00 C ATOM 725 CG ASP A 50 8.530 11.823 -5.455 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.427 12.314 -5.773 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.623 12.368 -5.716 1.00 0.00 O ATOM 0 H ASP A 50 8.663 8.038 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 50 6.491 9.867 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.411 10.682 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.517 10.027 -4.841 1.00 0.00 H new ATOM 732 N ILE A 51 6.185 9.880 -7.247 1.00 0.00 N ATOM 733 CA ILE A 51 5.976 9.949 -8.688 1.00 0.00 C ATOM 734 C ILE A 51 6.882 10.997 -9.325 1.00 0.00 C ATOM 735 O ILE A 51 6.996 11.073 -10.548 1.00 0.00 O ATOM 736 CB ILE A 51 4.511 10.277 -9.030 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.106 11.615 -8.409 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.593 9.164 -8.548 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.834 12.191 -8.990 1.00 0.00 C ATOM 0 H ILE A 51 5.353 10.076 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 51 6.222 8.966 -9.090 1.00 0.00 H new ATOM 0 HB ILE A 51 4.416 10.357 -10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.978 11.484 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.916 12.331 -8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.561 9.410 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.870 8.228 -9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.690 9.055 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.608 13.139 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.964 12.355 -10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.012 11.494 -8.827 1.00 0.00 H new ATOM 751 N ASN A 52 7.526 11.803 -8.487 1.00 0.00 N ATOM 752 CA ASN A 52 8.424 12.847 -8.969 1.00 0.00 C ATOM 753 C ASN A 52 9.875 12.376 -8.933 1.00 0.00 C ATOM 754 O ASN A 52 10.757 13.007 -9.513 1.00 0.00 O ATOM 755 CB ASN A 52 8.266 14.113 -8.124 1.00 0.00 C ATOM 756 CG ASN A 52 6.897 14.746 -8.282 1.00 0.00 C ATOM 757 OD1 ASN A 52 5.892 14.144 -7.657 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.746 15.765 -8.956 1.00 0.00 N flip ATOM 0 H ASN A 52 7.443 11.754 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 52 8.159 13.072 -10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.432 13.869 -7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.032 14.834 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.547 16.194 -9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.819 16.181 -9.052 1.00 0.00 H new ATOM 765 N SER A 53 10.113 11.261 -8.248 1.00 0.00 N ATOM 766 CA SER A 53 11.457 10.707 -8.134 1.00 0.00 C ATOM 767 C SER A 53 11.492 9.263 -8.625 1.00 0.00 C ATOM 768 O SER A 53 10.462 8.694 -8.986 1.00 0.00 O ATOM 769 CB SER A 53 11.938 10.776 -6.684 1.00 0.00 C ATOM 770 OG SER A 53 12.594 12.005 -6.422 1.00 0.00 O ATOM 0 H SER A 53 9.393 10.724 -7.764 1.00 0.00 H new ATOM 0 HA SER A 53 12.123 11.302 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.089 10.663 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.617 9.948 -6.483 1.00 0.00 H new ATOM 0 HG SER A 53 11.944 12.658 -6.087 1.00 0.00 H new ATOM 776 N GLN A 54 12.685 8.677 -8.636 1.00 0.00 N ATOM 777 CA GLN A 54 12.855 7.299 -9.083 1.00 0.00 C ATOM 778 C GLN A 54 13.186 6.383 -7.910 1.00 0.00 C ATOM 779 O GLN A 54 13.660 5.263 -8.100 1.00 0.00 O ATOM 780 CB GLN A 54 13.960 7.216 -10.138 1.00 0.00 C ATOM 781 CG GLN A 54 15.301 7.747 -9.657 1.00 0.00 C ATOM 782 CD GLN A 54 16.246 8.064 -10.799 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.288 9.193 -11.289 1.00 0.00 O ATOM 784 NE2 GLN A 54 17.012 7.068 -11.229 1.00 0.00 N ATOM 0 H GLN A 54 13.548 9.134 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 54 11.915 6.968 -9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.079 6.177 -10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.652 7.777 -11.020 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.140 8.647 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.765 7.011 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.944 6.148 -10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.668 7.223 -11.994 1.00 0.00 H new ATOM 793 N GLN A 55 12.933 6.867 -6.698 1.00 0.00 N ATOM 794 CA GLN A 55 13.205 6.091 -5.494 1.00 0.00 C ATOM 795 C GLN A 55 11.971 5.305 -5.061 1.00 0.00 C ATOM 796 O GLN A 55 11.027 5.870 -4.510 1.00 0.00 O ATOM 797 CB GLN A 55 13.661 7.011 -4.360 1.00 0.00 C ATOM 798 CG GLN A 55 13.912 6.283 -3.049 1.00 0.00 C ATOM 799 CD GLN A 55 15.022 5.256 -3.155 1.00 0.00 C ATOM 800 OE1 GLN A 55 16.203 5.587 -3.040 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.648 4.001 -3.375 1.00 0.00 N ATOM 0 H GLN A 55 12.540 7.792 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 55 14.002 5.384 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.575 7.522 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.905 7.779 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.167 7.010 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.994 5.789 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.658 3.772 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.351 3.266 -3.455 1.00 0.00 H new ATOM 810 N GLU A 56 11.986 4.001 -5.317 1.00 0.00 N ATOM 811 CA GLU A 56 10.867 3.139 -4.954 1.00 0.00 C ATOM 812 C GLU A 56 11.077 2.527 -3.572 1.00 0.00 C ATOM 813 O GLU A 56 12.201 2.200 -3.190 1.00 0.00 O ATOM 814 CB GLU A 56 10.691 2.031 -5.994 1.00 0.00 C ATOM 815 CG GLU A 56 9.420 1.218 -5.808 1.00 0.00 C ATOM 816 CD GLU A 56 9.423 -0.063 -6.619 1.00 0.00 C ATOM 817 OE1 GLU A 56 9.985 -0.057 -7.734 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.864 -1.071 -6.139 1.00 0.00 O ATOM 0 H GLU A 56 12.760 3.518 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 56 9.964 3.750 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.685 2.476 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.550 1.362 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.300 0.975 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.560 1.824 -6.095 1.00 0.00 H new ATOM 825 N LEU A 57 9.987 2.375 -2.828 1.00 0.00 N ATOM 826 CA LEU A 57 10.050 1.802 -1.488 1.00 0.00 C ATOM 827 C LEU A 57 8.736 1.118 -1.125 1.00 0.00 C ATOM 828 O LEU A 57 7.726 1.295 -1.805 1.00 0.00 O ATOM 829 CB LEU A 57 10.371 2.890 -0.461 1.00 0.00 C ATOM 830 CG LEU A 57 11.565 3.789 -0.787 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.533 5.048 0.065 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.871 3.036 -0.581 1.00 0.00 C ATOM 0 H LEU A 57 9.049 2.640 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 57 10.843 1.054 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.490 3.520 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.554 2.411 0.501 1.00 0.00 H new ATOM 0 HG LEU A 57 11.500 4.082 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.390 5.675 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.613 5.597 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.574 4.775 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.710 3.691 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.945 2.713 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.895 2.164 -1.235 1.00 0.00 H new ATOM 844 N GLN A 58 8.758 0.337 -0.050 1.00 0.00 N ATOM 845 CA GLN A 58 7.568 -0.373 0.402 1.00 0.00 C ATOM 846 C GLN A 58 7.711 -0.802 1.859 1.00 0.00 C ATOM 847 O GLN A 58 8.784 -0.683 2.449 1.00 0.00 O ATOM 848 CB GLN A 58 7.312 -1.597 -0.479 1.00 0.00 C ATOM 849 CG GLN A 58 8.376 -2.674 -0.350 1.00 0.00 C ATOM 850 CD GLN A 58 8.477 -3.546 -1.585 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.880 -4.621 -1.651 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.235 -3.087 -2.574 1.00 0.00 N ATOM 0 H GLN A 58 9.587 0.180 0.524 1.00 0.00 H new ATOM 0 HA GLN A 58 6.719 0.306 0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.343 -2.023 -0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.253 -1.279 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.342 -2.205 -0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.152 -3.299 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.712 -2.191 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.340 -3.631 -3.431 1.00 0.00 H new ATOM 861 N ASN A 59 6.621 -1.301 2.433 1.00 0.00 N ATOM 862 CA ASN A 59 6.625 -1.748 3.822 1.00 0.00 C ATOM 863 C ASN A 59 5.695 -2.941 4.012 1.00 0.00 C ATOM 864 O ASN A 59 4.955 -3.316 3.102 1.00 0.00 O ATOM 865 CB ASN A 59 6.203 -0.605 4.748 1.00 0.00 C ATOM 866 CG ASN A 59 7.316 0.402 4.967 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.117 1.607 4.809 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.494 -0.089 5.333 1.00 0.00 N ATOM 0 H ASN A 59 5.724 -1.406 1.959 1.00 0.00 H new ATOM 0 HA ASN A 59 7.639 -2.057 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.336 -0.098 4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.893 -1.015 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.280 0.540 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.613 -1.095 5.452 1.00 0.00 H new ATOM 875 N ILE A 60 5.737 -3.534 5.201 1.00 0.00 N ATOM 876 CA ILE A 60 4.897 -4.684 5.511 1.00 0.00 C ATOM 877 C ILE A 60 4.232 -4.527 6.875 1.00 0.00 C ATOM 878 O ILE A 60 4.874 -4.137 7.851 1.00 0.00 O ATOM 879 CB ILE A 60 5.707 -5.993 5.495 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.517 -6.102 4.202 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.781 -7.191 5.648 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.320 -7.379 4.098 1.00 0.00 C ATOM 0 H ILE A 60 6.344 -3.237 5.965 1.00 0.00 H new ATOM 0 HA ILE A 60 4.130 -4.732 4.738 1.00 0.00 H new ATOM 0 HB ILE A 60 6.400 -5.984 6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.838 -6.039 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.194 -5.250 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.369 -8.109 5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.244 -7.117 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.066 -7.206 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.869 -7.388 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.024 -7.435 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.647 -8.236 4.134 1.00 0.00 H new ATOM 894 N THR A 61 2.940 -4.834 6.936 1.00 0.00 N ATOM 895 CA THR A 61 2.187 -4.728 8.179 1.00 0.00 C ATOM 896 C THR A 61 1.015 -5.703 8.197 1.00 0.00 C ATOM 897 O THR A 61 0.141 -5.655 7.332 1.00 0.00 O ATOM 898 CB THR A 61 1.655 -3.299 8.393 1.00 0.00 C ATOM 899 OG1 THR A 61 0.902 -3.233 9.610 1.00 0.00 O ATOM 900 CG2 THR A 61 0.780 -2.867 7.226 1.00 0.00 C ATOM 0 H THR A 61 2.393 -5.158 6.138 1.00 0.00 H new ATOM 0 HA THR A 61 2.875 -4.976 8.987 1.00 0.00 H new ATOM 0 HB THR A 61 2.508 -2.624 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.569 -2.321 9.739 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.416 -1.854 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.364 -2.890 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.067 -3.547 7.135 1.00 0.00 H new ATOM 908 N THR A 62 1.002 -6.587 9.190 1.00 0.00 N ATOM 909 CA THR A 62 -0.062 -7.574 9.321 1.00 0.00 C ATOM 910 C THR A 62 -1.428 -6.901 9.403 1.00 0.00 C ATOM 911 O THR A 62 -2.462 -7.555 9.264 1.00 0.00 O ATOM 912 CB THR A 62 0.139 -8.456 10.567 1.00 0.00 C ATOM 913 OG1 THR A 62 0.250 -7.636 11.735 1.00 0.00 O ATOM 914 CG2 THR A 62 1.386 -9.316 10.425 1.00 0.00 C ATOM 0 H THR A 62 1.717 -6.639 9.916 1.00 0.00 H new ATOM 0 HA THR A 62 -0.022 -8.202 8.431 1.00 0.00 H new ATOM 0 HB THR A 62 -0.727 -9.111 10.665 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.376 -8.205 12.523 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.508 -9.931 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.286 -9.960 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.259 -8.674 10.305 1.00 0.00 H new ATOM 922 N ASP A 63 -1.425 -5.593 9.630 1.00 0.00 N ATOM 923 CA ASP A 63 -2.665 -4.831 9.730 1.00 0.00 C ATOM 924 C ASP A 63 -3.052 -4.245 8.376 1.00 0.00 C ATOM 925 O ASP A 63 -2.221 -4.133 7.474 1.00 0.00 O ATOM 926 CB ASP A 63 -2.519 -3.711 10.761 1.00 0.00 C ATOM 927 CG ASP A 63 -2.876 -4.165 12.163 1.00 0.00 C ATOM 928 OD1 ASP A 63 -4.074 -4.404 12.422 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.957 -4.283 13.000 1.00 0.00 O ATOM 0 H ASP A 63 -0.578 -5.037 9.748 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.455 -5.510 10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.493 -3.344 10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.159 -2.875 10.479 1.00 0.00 H new ATOM 934 N THR A 64 -4.321 -3.873 8.239 1.00 0.00 N ATOM 935 CA THR A 64 -4.820 -3.300 6.995 1.00 0.00 C ATOM 936 C THR A 64 -4.527 -1.806 6.920 1.00 0.00 C ATOM 937 O THR A 64 -5.154 -1.079 6.150 1.00 0.00 O ATOM 938 CB THR A 64 -6.337 -3.522 6.843 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.955 -3.583 8.133 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.622 -4.806 6.078 1.00 0.00 C ATOM 0 H THR A 64 -5.022 -3.958 8.975 1.00 0.00 H new ATOM 0 HA THR A 64 -4.302 -3.810 6.183 1.00 0.00 H new ATOM 0 HB THR A 64 -6.750 -2.684 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.919 -3.723 8.028 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.699 -4.942 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.175 -4.745 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.196 -5.653 6.616 1.00 0.00 H new ATOM 948 N ARG A 65 -3.570 -1.355 7.725 1.00 0.00 N ATOM 949 CA ARG A 65 -3.194 0.053 7.750 1.00 0.00 C ATOM 950 C ARG A 65 -1.684 0.210 7.906 1.00 0.00 C ATOM 951 O ARG A 65 -1.000 -0.699 8.376 1.00 0.00 O ATOM 952 CB ARG A 65 -3.913 0.775 8.891 1.00 0.00 C ATOM 953 CG ARG A 65 -3.394 0.403 10.270 1.00 0.00 C ATOM 954 CD ARG A 65 -2.279 1.337 10.716 1.00 0.00 C ATOM 955 NE ARG A 65 -2.789 2.471 11.482 1.00 0.00 N ATOM 956 CZ ARG A 65 -3.222 2.376 12.734 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.208 1.206 13.358 1.00 0.00 N ATOM 958 NH2 ARG A 65 -3.671 3.454 13.365 1.00 0.00 N ATOM 0 H ARG A 65 -3.041 -1.944 8.368 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.492 0.499 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.809 1.851 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.978 0.548 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.211 0.441 10.990 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.027 -0.623 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.563 0.783 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.741 1.703 9.842 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.814 3.386 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.864 0.375 12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.541 1.137 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.684 4.356 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.003 3.381 14.326 1.00 0.00 H new ATOM 972 N PHE A 66 -1.171 1.370 7.509 1.00 0.00 N ATOM 973 CA PHE A 66 0.258 1.645 7.603 1.00 0.00 C ATOM 974 C PHE A 66 0.524 3.148 7.588 1.00 0.00 C ATOM 975 O PHE A 66 -0.367 3.946 7.296 1.00 0.00 O ATOM 976 CB PHE A 66 1.006 0.972 6.450 1.00 0.00 C ATOM 977 CG PHE A 66 2.498 0.965 6.627 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.106 0.039 7.458 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.292 1.886 5.962 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.479 0.029 7.622 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.665 1.881 6.122 1.00 0.00 C ATOM 982 CZ PHE A 66 5.259 0.953 6.955 1.00 0.00 C ATOM 0 H PHE A 66 -1.723 2.134 7.119 1.00 0.00 H new ATOM 0 HA PHE A 66 0.620 1.238 8.547 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.655 -0.055 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.761 1.485 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.501 -0.684 7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.833 2.616 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.941 -0.700 8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.273 2.602 5.596 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.331 0.950 7.084 1.00 0.00 H new ATOM 992 N THR A 67 1.758 3.528 7.906 1.00 0.00 N ATOM 993 CA THR A 67 2.143 4.933 7.932 1.00 0.00 C ATOM 994 C THR A 67 3.554 5.127 7.390 1.00 0.00 C ATOM 995 O THR A 67 4.536 4.789 8.053 1.00 0.00 O ATOM 996 CB THR A 67 2.068 5.510 9.358 1.00 0.00 C ATOM 997 OG1 THR A 67 0.736 5.387 9.868 1.00 0.00 O ATOM 998 CG2 THR A 67 2.489 6.972 9.373 1.00 0.00 C ATOM 0 H THR A 67 2.508 2.881 8.149 1.00 0.00 H new ATOM 0 HA THR A 67 1.437 5.466 7.295 1.00 0.00 H new ATOM 0 HB THR A 67 2.752 4.944 9.991 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.730 5.605 10.824 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.428 7.358 10.391 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.514 7.059 9.013 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.827 7.548 8.726 1.00 0.00 H new ATOM 1006 N LEU A 68 3.650 5.673 6.183 1.00 0.00 N ATOM 1007 CA LEU A 68 4.943 5.913 5.552 1.00 0.00 C ATOM 1008 C LEU A 68 5.781 6.883 6.380 1.00 0.00 C ATOM 1009 O LEU A 68 5.309 7.438 7.372 1.00 0.00 O ATOM 1010 CB LEU A 68 4.749 6.467 4.140 1.00 0.00 C ATOM 1011 CG LEU A 68 4.170 5.494 3.112 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.520 4.060 3.477 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.661 5.666 3.006 1.00 0.00 C ATOM 0 H LEU A 68 2.848 5.958 5.621 1.00 0.00 H new ATOM 0 HA LEU A 68 5.473 4.962 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.093 7.335 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.713 6.820 3.774 1.00 0.00 H new ATOM 0 HG LEU A 68 4.611 5.718 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.099 3.382 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.604 3.945 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.108 3.823 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.266 4.966 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.203 5.470 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.432 6.686 2.696 1.00 0.00 H new ATOM 1025 N THR A 69 7.028 7.084 5.964 1.00 0.00 N ATOM 1026 CA THR A 69 7.931 7.987 6.665 1.00 0.00 C ATOM 1027 C THR A 69 9.088 8.414 5.768 1.00 0.00 C ATOM 1028 O THR A 69 9.319 7.824 4.713 1.00 0.00 O ATOM 1029 CB THR A 69 8.499 7.336 7.940 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.376 6.258 7.591 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.378 6.816 8.828 1.00 0.00 C ATOM 0 H THR A 69 7.435 6.633 5.145 1.00 0.00 H new ATOM 0 HA THR A 69 7.347 8.864 6.943 1.00 0.00 H new ATOM 0 HB THR A 69 9.056 8.094 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.734 5.850 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.804 6.361 9.722 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.729 7.643 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.798 6.072 8.283 1.00 0.00 H new ATOM 1039 N GLY A 70 9.813 9.444 6.194 1.00 0.00 N ATOM 1040 CA GLY A 70 10.937 9.932 5.417 1.00 0.00 C ATOM 1041 C GLY A 70 10.520 10.446 4.054 1.00 0.00 C ATOM 1042 O GLY A 70 11.206 10.212 3.058 1.00 0.00 O ATOM 0 H GLY A 70 9.642 9.949 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.435 10.731 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.664 9.130 5.292 1.00 0.00 H new ATOM 1046 N LEU A 71 9.393 11.147 4.007 1.00 0.00 N ATOM 1047 CA LEU A 71 8.884 11.695 2.755 1.00 0.00 C ATOM 1048 C LEU A 71 9.016 13.214 2.732 1.00 0.00 C ATOM 1049 O LEU A 71 9.207 13.848 3.770 1.00 0.00 O ATOM 1050 CB LEU A 71 7.420 11.296 2.558 1.00 0.00 C ATOM 1051 CG LEU A 71 7.030 9.906 3.062 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.520 9.795 3.206 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.558 8.831 2.123 1.00 0.00 C ATOM 0 H LEU A 71 8.814 11.349 4.822 1.00 0.00 H new ATOM 0 HA LEU A 71 9.479 11.284 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.793 12.032 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.189 11.353 1.494 1.00 0.00 H new ATOM 0 HG LEU A 71 7.480 9.757 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.261 8.799 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.167 10.541 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.049 9.965 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.271 7.848 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.137 8.978 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.645 8.896 2.070 1.00 0.00 H new ATOM 1065 N LYS A 72 8.910 13.794 1.541 1.00 0.00 N ATOM 1066 CA LYS A 72 9.014 15.240 1.381 1.00 0.00 C ATOM 1067 C LYS A 72 7.638 15.894 1.442 1.00 0.00 C ATOM 1068 O LYS A 72 6.656 15.381 0.905 1.00 0.00 O ATOM 1069 CB LYS A 72 9.694 15.579 0.053 1.00 0.00 C ATOM 1070 CG LYS A 72 10.393 16.928 0.055 1.00 0.00 C ATOM 1071 CD LYS A 72 11.239 17.119 -1.193 1.00 0.00 C ATOM 1072 CE LYS A 72 10.436 17.752 -2.319 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.310 18.200 -3.439 1.00 0.00 N ATOM 0 H LYS A 72 8.752 13.284 0.672 1.00 0.00 H new ATOM 0 HA LYS A 72 9.618 15.629 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.422 14.802 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.948 15.567 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.651 17.724 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.024 17.011 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.098 17.748 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.629 16.155 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.706 17.034 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.876 18.604 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.726 18.626 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.990 18.904 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.825 17.383 -3.825 1.00 0.00 H new ATOM 1087 N PRO A 73 7.562 17.055 2.109 1.00 0.00 N ATOM 1088 CA PRO A 73 6.311 17.806 2.253 1.00 0.00 C ATOM 1089 C PRO A 73 5.848 18.419 0.936 1.00 0.00 C ATOM 1090 O PRO A 73 6.662 18.880 0.135 1.00 0.00 O ATOM 1091 CB PRO A 73 6.670 18.904 3.257 1.00 0.00 C ATOM 1092 CG PRO A 73 8.142 19.083 3.113 1.00 0.00 C ATOM 1093 CD PRO A 73 8.693 17.726 2.773 1.00 0.00 C ATOM 0 HA PRO A 73 5.488 17.168 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.136 19.829 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.404 18.613 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.372 19.805 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.581 19.462 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.560 17.797 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.013 17.187 3.665 1.00 0.00 H new ATOM 1101 N ASP A 74 4.538 18.423 0.718 1.00 0.00 N ATOM 1102 CA ASP A 74 3.966 18.981 -0.501 1.00 0.00 C ATOM 1103 C ASP A 74 4.480 18.240 -1.731 1.00 0.00 C ATOM 1104 O ASP A 74 4.851 18.856 -2.732 1.00 0.00 O ATOM 1105 CB ASP A 74 4.300 20.470 -0.611 1.00 0.00 C ATOM 1106 CG ASP A 74 3.713 21.105 -1.856 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.470 21.138 -1.976 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.495 21.570 -2.710 1.00 0.00 O ATOM 0 H ASP A 74 3.851 18.045 1.371 1.00 0.00 H new ATOM 0 HA ASP A 74 2.884 18.862 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.924 20.990 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.383 20.597 -0.618 1.00 0.00 H new ATOM 1113 N THR A 75 4.502 16.913 -1.651 1.00 0.00 N ATOM 1114 CA THR A 75 4.972 16.087 -2.755 1.00 0.00 C ATOM 1115 C THR A 75 4.117 14.835 -2.909 1.00 0.00 C ATOM 1116 O THR A 75 3.836 14.138 -1.933 1.00 0.00 O ATOM 1117 CB THR A 75 6.442 15.671 -2.559 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.305 16.787 -2.808 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.808 14.524 -3.489 1.00 0.00 C ATOM 0 H THR A 75 4.199 16.387 -0.831 1.00 0.00 H new ATOM 0 HA THR A 75 4.891 16.691 -3.658 1.00 0.00 H new ATOM 0 HB THR A 75 6.568 15.338 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.803 16.636 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.851 14.247 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.169 13.666 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.666 14.835 -4.524 1.00 0.00 H new ATOM 1127 N THR A 76 3.706 14.552 -4.141 1.00 0.00 N ATOM 1128 CA THR A 76 2.882 13.383 -4.422 1.00 0.00 C ATOM 1129 C THR A 76 3.671 12.094 -4.224 1.00 0.00 C ATOM 1130 O THR A 76 4.811 11.977 -4.675 1.00 0.00 O ATOM 1131 CB THR A 76 2.329 13.417 -5.859 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.603 14.632 -6.076 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.421 12.225 -6.119 1.00 0.00 C ATOM 0 H THR A 76 3.930 15.117 -4.960 1.00 0.00 H new ATOM 0 HA THR A 76 2.049 13.408 -3.720 1.00 0.00 H new ATOM 0 HB THR A 76 3.171 13.369 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.256 14.647 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.043 12.271 -7.140 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.984 11.302 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.584 12.246 -5.421 1.00 0.00 H new ATOM 1141 N TYR A 77 3.058 11.128 -3.549 1.00 0.00 N ATOM 1142 CA TYR A 77 3.705 9.847 -3.290 1.00 0.00 C ATOM 1143 C TYR A 77 2.801 8.688 -3.699 1.00 0.00 C ATOM 1144 O TYR A 77 1.784 8.423 -3.059 1.00 0.00 O ATOM 1145 CB TYR A 77 4.069 9.726 -1.809 1.00 0.00 C ATOM 1146 CG TYR A 77 5.410 10.333 -1.464 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.579 9.590 -1.569 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.508 11.650 -1.032 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.807 10.140 -1.254 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.732 12.209 -0.717 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.878 11.450 -0.829 1.00 0.00 C ATOM 1152 OH TYR A 77 9.098 12.003 -0.514 1.00 0.00 O ATOM 0 H TYR A 77 2.114 11.208 -3.171 1.00 0.00 H new ATOM 0 HA TYR A 77 4.616 9.802 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.296 10.211 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.074 8.672 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.527 8.564 -1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.613 12.247 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.706 9.547 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.791 13.235 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 77 9.267 12.774 -1.094 1.00 0.00 H new ATOM 1162 N ASP A 78 3.181 8.001 -4.771 1.00 0.00 N ATOM 1163 CA ASP A 78 2.408 6.868 -5.266 1.00 0.00 C ATOM 1164 C ASP A 78 2.442 5.710 -4.274 1.00 0.00 C ATOM 1165 O ASP A 78 3.387 4.920 -4.259 1.00 0.00 O ATOM 1166 CB ASP A 78 2.946 6.410 -6.622 1.00 0.00 C ATOM 1167 CG ASP A 78 2.335 5.098 -7.075 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.475 4.095 -6.345 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.715 5.076 -8.159 1.00 0.00 O ATOM 0 H ASP A 78 4.019 8.209 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 78 1.373 7.190 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.744 7.178 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.029 6.301 -6.562 1.00 0.00 H new ATOM 1174 N ILE A 79 1.408 5.617 -3.445 1.00 0.00 N ATOM 1175 CA ILE A 79 1.320 4.556 -2.450 1.00 0.00 C ATOM 1176 C ILE A 79 0.245 3.540 -2.821 1.00 0.00 C ATOM 1177 O ILE A 79 -0.865 3.908 -3.207 1.00 0.00 O ATOM 1178 CB ILE A 79 1.015 5.121 -1.050 1.00 0.00 C ATOM 1179 CG1 ILE A 79 1.968 6.273 -0.722 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.122 4.024 -0.001 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.360 7.321 0.183 1.00 0.00 C ATOM 0 H ILE A 79 0.619 6.264 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 79 2.291 4.062 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.005 5.505 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.863 5.870 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.286 6.747 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.904 4.439 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.407 3.233 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.132 3.613 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.092 8.106 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.482 7.752 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.068 6.861 1.127 1.00 0.00 H new ATOM 1193 N LYS A 80 0.581 2.261 -2.701 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.356 1.190 -3.021 1.00 0.00 C ATOM 1195 C LYS A 80 -0.300 0.085 -1.970 1.00 0.00 C ATOM 1196 O LYS A 80 0.403 0.205 -0.966 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.048 0.610 -4.403 1.00 0.00 C ATOM 1198 CG LYS A 80 1.434 0.583 -4.734 1.00 0.00 C ATOM 1199 CD LYS A 80 1.673 0.685 -6.231 1.00 0.00 C ATOM 1200 CE LYS A 80 1.501 -0.662 -6.916 1.00 0.00 C ATOM 1201 NZ LYS A 80 2.052 -0.655 -8.300 1.00 0.00 N ATOM 0 H LYS A 80 1.496 1.940 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.361 1.611 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.443 -0.405 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.570 1.197 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.936 1.407 -4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.875 -0.339 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.978 1.405 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.679 1.062 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.000 -1.434 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.443 -0.921 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.811 -1.549 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.644 0.140 -8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.086 -0.551 -8.261 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.042 -0.991 -2.209 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.074 -2.118 -1.285 1.00 0.00 C ATOM 1217 C VAL A 81 -1.408 -3.416 -2.012 1.00 0.00 C ATOM 1218 O VAL A 81 -1.894 -3.398 -3.143 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.102 -1.893 -0.160 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.462 -2.442 -0.562 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.622 -2.530 1.135 1.00 0.00 C ATOM 0 H VAL A 81 -1.629 -1.106 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.079 -2.196 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.205 -0.821 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.175 -2.274 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.807 -1.935 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.380 -3.511 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.360 -2.361 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.489 -3.602 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.672 -2.084 1.429 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.146 -4.541 -1.355 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.418 -5.848 -1.939 1.00 0.00 C ATOM 1233 C ARG A 82 -1.546 -6.913 -0.853 1.00 0.00 C ATOM 1234 O ARG A 82 -0.840 -6.874 0.154 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.308 -6.234 -2.918 1.00 0.00 C ATOM 1236 CG ARG A 82 0.990 -6.639 -2.238 1.00 0.00 C ATOM 1237 CD ARG A 82 1.811 -7.572 -3.115 1.00 0.00 C ATOM 1238 NE ARG A 82 2.711 -6.839 -4.002 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.816 -7.361 -4.522 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.155 -8.612 -4.246 1.00 0.00 N ATOM 1241 NH2 ARG A 82 4.583 -6.631 -5.321 1.00 0.00 N ATOM 0 H ARG A 82 -0.745 -4.573 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.364 -5.787 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.655 -7.059 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.113 -5.393 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.574 -5.748 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.768 -7.130 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.392 -8.245 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.141 -8.193 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 82 2.478 -5.874 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.567 -9.176 -3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.004 -9.011 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.324 -5.668 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.432 -7.033 -5.720 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.452 -7.861 -1.065 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.672 -8.936 -0.106 1.00 0.00 C ATOM 1257 C ALA A 83 -1.753 -10.120 -0.388 1.00 0.00 C ATOM 1258 O ALA A 83 -1.453 -10.424 -1.542 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.128 -9.379 -0.133 1.00 0.00 C ATOM 0 H ALA A 83 -3.046 -7.906 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.438 -8.555 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.277 -10.182 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.770 -8.536 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.381 -9.736 -1.131 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.308 -10.783 0.673 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.421 -11.933 0.540 1.00 0.00 C ATOM 1267 C TRP A 84 -1.066 -13.188 1.117 1.00 0.00 C ATOM 1268 O TRP A 84 -1.797 -13.124 2.106 1.00 0.00 O ATOM 1269 CB TRP A 84 0.911 -11.660 1.241 1.00 0.00 C ATOM 1270 CG TRP A 84 1.761 -10.652 0.529 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.541 -9.307 0.446 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.966 -10.909 -0.200 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.536 -8.712 -0.291 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.423 -9.673 -0.699 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.704 -12.062 -0.480 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.583 -9.561 -1.460 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.855 -11.950 -1.236 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.286 -10.707 -1.718 1.00 0.00 C ATOM 0 H TRP A 84 -1.547 -10.544 1.635 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.237 -12.097 -0.522 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.715 -11.309 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.465 -12.594 1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.707 -8.787 0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.603 -7.716 -0.501 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.380 -13.024 -0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.917 -8.604 -1.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.432 -12.835 -1.459 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.191 -10.652 -2.305 1.00 0.00 H new ATOM 1289 N THR A 85 -0.791 -14.330 0.494 1.00 0.00 N ATOM 1290 CA THR A 85 -1.346 -15.600 0.946 1.00 0.00 C ATOM 1291 C THR A 85 -0.242 -16.616 1.217 1.00 0.00 C ATOM 1292 O THR A 85 0.865 -16.499 0.693 1.00 0.00 O ATOM 1293 CB THR A 85 -2.324 -16.185 -0.090 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.679 -16.301 -1.363 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.562 -15.311 -0.220 1.00 0.00 C ATOM 0 H THR A 85 -0.187 -14.401 -0.325 1.00 0.00 H new ATOM 0 HA THR A 85 -1.886 -15.399 1.871 1.00 0.00 H new ATOM 0 HB THR A 85 -2.631 -17.173 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.307 -16.675 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.238 -15.745 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.067 -15.250 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.269 -14.311 -0.540 1.00 0.00 H new ATOM 1303 N SER A 86 -0.552 -17.613 2.039 1.00 0.00 N ATOM 1304 CA SER A 86 0.415 -18.649 2.383 1.00 0.00 C ATOM 1305 C SER A 86 1.159 -19.131 1.141 1.00 0.00 C ATOM 1306 O SER A 86 2.282 -19.628 1.229 1.00 0.00 O ATOM 1307 CB SER A 86 -0.287 -19.828 3.060 1.00 0.00 C ATOM 1308 OG SER A 86 -1.155 -19.382 4.088 1.00 0.00 O ATOM 0 H SER A 86 -1.465 -17.726 2.479 1.00 0.00 H new ATOM 0 HA SER A 86 1.139 -18.220 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.855 -20.392 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.456 -20.508 3.477 1.00 0.00 H new ATOM 0 HG SER A 86 -1.593 -20.154 4.504 1.00 0.00 H new ATOM 1314 N LYS A 87 0.525 -18.980 -0.017 1.00 0.00 N ATOM 1315 CA LYS A 87 1.125 -19.398 -1.278 1.00 0.00 C ATOM 1316 C LYS A 87 2.152 -18.377 -1.756 1.00 0.00 C ATOM 1317 O LYS A 87 3.338 -18.683 -1.873 1.00 0.00 O ATOM 1318 CB LYS A 87 0.042 -19.585 -2.344 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.994 -20.634 -1.980 1.00 0.00 C ATOM 1320 CD LYS A 87 -0.572 -22.019 -2.441 1.00 0.00 C ATOM 1321 CE LYS A 87 -1.727 -23.006 -2.371 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.868 -23.599 -1.012 1.00 0.00 N ATOM 0 H LYS A 87 -0.405 -18.571 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 87 1.633 -20.348 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.461 -18.632 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.515 -19.865 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.144 -20.639 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.951 -20.374 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.200 -21.965 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.250 -22.375 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.653 -22.501 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.570 -23.801 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.666 -24.266 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.993 -24.103 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.043 -22.843 -0.320 1.00 0.00 H new ATOM 1336 N GLY A 88 1.689 -17.161 -2.031 1.00 0.00 N ATOM 1337 CA GLY A 88 2.581 -16.113 -2.492 1.00 0.00 C ATOM 1338 C GLY A 88 1.926 -14.747 -2.479 1.00 0.00 C ATOM 1339 O GLY A 88 1.266 -14.376 -1.508 1.00 0.00 O ATOM 0 H GLY A 88 0.712 -16.883 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.469 -16.093 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.914 -16.343 -3.504 1.00 0.00 H new ATOM 1343 N SER A 89 2.109 -13.994 -3.559 1.00 0.00 N ATOM 1344 CA SER A 89 1.535 -12.658 -3.666 1.00 0.00 C ATOM 1345 C SER A 89 0.570 -12.574 -4.844 1.00 0.00 C ATOM 1346 O SER A 89 0.505 -13.480 -5.674 1.00 0.00 O ATOM 1347 CB SER A 89 2.643 -11.615 -3.825 1.00 0.00 C ATOM 1348 OG SER A 89 3.488 -11.931 -4.918 1.00 0.00 O ATOM 0 H SER A 89 2.650 -14.287 -4.372 1.00 0.00 H new ATOM 0 HA SER A 89 0.981 -12.453 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.201 -10.630 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.232 -11.563 -2.909 1.00 0.00 H new ATOM 0 HG SER A 89 4.187 -11.249 -4.999 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.180 -11.478 -4.910 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.133 -11.294 -5.989 1.00 0.00 C ATOM 1356 C GLY A 90 -0.952 -9.970 -6.704 1.00 0.00 C ATOM 1357 O GLY A 90 0.164 -9.477 -6.870 1.00 0.00 O ATOM 0 H GLY A 90 -0.144 -10.714 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.027 -12.108 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.145 -11.352 -5.589 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.069 -9.372 -7.142 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.055 -8.089 -7.851 1.00 0.00 C ATOM 1363 C PRO A 91 -1.674 -6.927 -6.939 1.00 0.00 C ATOM 1364 O PRO A 91 -1.514 -7.100 -5.730 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.498 -7.936 -8.337 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.307 -8.747 -7.385 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.434 -9.902 -6.979 1.00 0.00 C ATOM 0 HA PRO A 91 -1.317 -8.075 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.809 -6.891 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.612 -8.296 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.599 -8.155 -6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.226 -9.098 -7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.626 -10.209 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.604 -10.775 -7.609 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.530 -5.744 -7.526 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.168 -4.552 -6.766 1.00 0.00 C ATOM 1377 C LEU A 92 -2.274 -3.504 -6.837 1.00 0.00 C ATOM 1378 O LEU A 92 -2.662 -3.070 -7.922 1.00 0.00 O ATOM 1379 CB LEU A 92 0.142 -3.965 -7.294 1.00 0.00 C ATOM 1380 CG LEU A 92 1.422 -4.482 -6.636 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.610 -4.304 -7.569 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.668 -3.769 -5.314 1.00 0.00 C ATOM 0 H LEU A 92 -1.658 -5.584 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.035 -4.842 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.201 -4.164 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.107 -2.882 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 92 1.300 -5.546 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.512 -4.677 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.436 -4.860 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.734 -3.247 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.583 -4.150 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.769 -2.698 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.828 -3.948 -4.642 1.00 0.00 H new ATOM 1394 N SER A 93 -2.776 -3.101 -5.675 1.00 0.00 N ATOM 1395 CA SER A 93 -3.838 -2.104 -5.605 1.00 0.00 C ATOM 1396 C SER A 93 -3.442 -0.834 -6.352 1.00 0.00 C ATOM 1397 O SER A 93 -2.262 -0.525 -6.521 1.00 0.00 O ATOM 1398 CB SER A 93 -4.161 -1.772 -4.147 1.00 0.00 C ATOM 1399 OG SER A 93 -3.306 -0.755 -3.654 1.00 0.00 O ATOM 0 H SER A 93 -2.465 -3.449 -4.768 1.00 0.00 H new ATOM 0 HA SER A 93 -4.726 -2.522 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.199 -1.450 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.056 -2.668 -3.535 1.00 0.00 H new ATOM 0 HG SER A 93 -3.590 0.112 -4.011 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.451 -0.079 -6.811 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.233 1.170 -7.547 1.00 0.00 C ATOM 1407 C PRO A 94 -3.679 2.278 -6.658 1.00 0.00 C ATOM 1408 O PRO A 94 -4.338 2.720 -5.718 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.633 1.535 -8.047 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.562 0.882 -7.083 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.881 -0.386 -6.647 1.00 0.00 C ATOM 0 HA PRO A 94 -3.498 1.051 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.777 2.615 -8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.798 1.174 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.760 1.532 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.523 0.668 -7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.122 -0.637 -5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.183 -1.235 -7.260 1.00 0.00 H new ATOM 1419 N SER A 95 -2.464 2.722 -6.962 1.00 0.00 N ATOM 1420 CA SER A 95 -1.819 3.777 -6.188 1.00 0.00 C ATOM 1421 C SER A 95 -2.754 4.969 -6.011 1.00 0.00 C ATOM 1422 O SER A 95 -3.597 5.243 -6.865 1.00 0.00 O ATOM 1423 CB SER A 95 -0.527 4.225 -6.874 1.00 0.00 C ATOM 1424 OG SER A 95 -0.602 4.036 -8.276 1.00 0.00 O ATOM 0 H SER A 95 -1.906 2.368 -7.739 1.00 0.00 H new ATOM 0 HA SER A 95 -1.579 3.376 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.341 5.276 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.316 3.662 -6.473 1.00 0.00 H new ATOM 0 HG SER A 95 0.248 4.298 -8.687 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.599 5.674 -4.895 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.428 6.837 -4.606 1.00 0.00 C ATOM 1432 C ILE A 96 -2.659 8.133 -4.844 1.00 0.00 C ATOM 1433 O ILE A 96 -3.253 9.176 -5.116 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.939 6.817 -3.153 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.841 6.320 -2.210 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.178 5.942 -3.040 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.212 6.414 -0.747 1.00 0.00 C ATOM 0 H ILE A 96 -1.907 5.460 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.281 6.793 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.208 7.833 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.608 5.283 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.934 6.899 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.527 5.938 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.962 6.336 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.934 4.924 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.387 6.045 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.416 7.453 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.101 5.812 -0.558 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.336 8.057 -4.743 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.487 9.224 -4.949 1.00 0.00 C ATOM 1451 C GLN A 97 -0.787 10.305 -3.915 1.00 0.00 C ATOM 1452 O GLN A 97 -0.919 11.481 -4.254 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.684 9.782 -6.359 1.00 0.00 C ATOM 1454 CG GLN A 97 0.264 9.185 -7.387 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.347 9.113 -8.772 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.821 10.115 -9.308 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.339 7.922 -9.361 1.00 0.00 N ATOM 0 H GLN A 97 -0.829 7.200 -4.520 1.00 0.00 H new ATOM 0 HA GLN A 97 0.551 8.912 -4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.711 9.597 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.547 10.863 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.174 9.783 -7.426 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.554 8.183 -7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.064 7.118 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.736 7.812 -10.294 1.00 0.00 H new ATOM 1466 N SER A 98 -0.894 9.898 -2.655 1.00 0.00 N ATOM 1467 CA SER A 98 -1.183 10.832 -1.572 1.00 0.00 C ATOM 1468 C SER A 98 -0.021 11.799 -1.364 1.00 0.00 C ATOM 1469 O SER A 98 1.083 11.391 -1.003 1.00 0.00 O ATOM 1470 CB SER A 98 -1.466 10.070 -0.276 1.00 0.00 C ATOM 1471 OG SER A 98 -2.191 10.874 0.640 1.00 0.00 O ATOM 0 H SER A 98 -0.785 8.928 -2.358 1.00 0.00 H new ATOM 0 HA SER A 98 -2.067 11.408 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.032 9.166 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.526 9.754 0.177 1.00 0.00 H new ATOM 0 HG SER A 98 -1.964 10.612 1.557 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.279 13.082 -1.594 1.00 0.00 N ATOM 1478 CA ARG A 99 0.744 14.108 -1.433 1.00 0.00 C ATOM 1479 C ARG A 99 0.784 14.616 0.005 1.00 0.00 C ATOM 1480 O ARG A 99 -0.171 15.228 0.486 1.00 0.00 O ATOM 1481 CB ARG A 99 0.484 15.273 -2.390 1.00 0.00 C ATOM 1482 CG ARG A 99 1.337 16.498 -2.104 1.00 0.00 C ATOM 1483 CD ARG A 99 1.082 17.602 -3.118 1.00 0.00 C ATOM 1484 NE ARG A 99 0.000 18.490 -2.700 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.256 19.658 -3.277 1.00 0.00 C ATOM 1486 NH1 ARG A 99 0.488 20.078 -4.291 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.259 20.410 -2.841 1.00 0.00 N ATOM 0 H ARG A 99 -1.188 13.436 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 99 1.710 13.662 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.670 14.941 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.568 15.552 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.122 16.867 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.391 16.221 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.994 18.183 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.835 17.158 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.591 18.197 -1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.260 19.503 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.289 20.976 -4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.834 20.091 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.454 21.307 -3.285 1.00 0.00 H new ATOM 1501 N THR A 100 1.895 14.358 0.688 1.00 0.00 N ATOM 1502 CA THR A 100 2.058 14.787 2.072 1.00 0.00 C ATOM 1503 C THR A 100 1.567 16.217 2.265 1.00 0.00 C ATOM 1504 O THR A 100 1.591 17.023 1.336 1.00 0.00 O ATOM 1505 CB THR A 100 3.530 14.697 2.517 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.345 15.533 1.688 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.030 13.262 2.447 1.00 0.00 C ATOM 0 H THR A 100 2.695 13.854 0.305 1.00 0.00 H new ATOM 0 HA THR A 100 1.459 14.114 2.685 1.00 0.00 H new ATOM 0 HB THR A 100 3.595 15.037 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.196 15.083 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.072 13.224 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.427 12.634 3.102 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.951 12.899 1.422 1.00 0.00 H new ATOM 1515 N MET A 101 1.121 16.525 3.479 1.00 0.00 N ATOM 1516 CA MET A 101 0.626 17.860 3.794 1.00 0.00 C ATOM 1517 C MET A 101 1.735 18.898 3.657 1.00 0.00 C ATOM 1518 O MET A 101 2.883 18.670 4.040 1.00 0.00 O ATOM 1519 CB MET A 101 0.053 17.893 5.213 1.00 0.00 C ATOM 1520 CG MET A 101 1.078 18.263 6.273 1.00 0.00 C ATOM 1521 SD MET A 101 0.344 18.459 7.909 1.00 0.00 S ATOM 1522 CE MET A 101 -0.418 16.853 8.133 1.00 0.00 C ATOM 0 H MET A 101 1.092 15.869 4.260 1.00 0.00 H new ATOM 0 HA MET A 101 -0.165 18.104 3.084 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.768 18.609 5.248 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.366 16.915 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.847 17.492 6.314 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.572 19.191 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.502 16.953 8.073 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.072 16.174 7.353 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.144 16.453 9.109 1.00 0.00 H new ATOM 1532 N PRO A 102 1.387 20.067 3.098 1.00 0.00 N ATOM 1533 CA PRO A 102 2.340 21.163 2.898 1.00 0.00 C ATOM 1534 C PRO A 102 2.766 21.807 4.212 1.00 0.00 C ATOM 1535 O PRO A 102 2.038 22.620 4.782 1.00 0.00 O ATOM 1536 CB PRO A 102 1.556 22.162 2.042 1.00 0.00 C ATOM 1537 CG PRO A 102 0.125 21.885 2.352 1.00 0.00 C ATOM 1538 CD PRO A 102 0.037 20.408 2.618 1.00 0.00 C ATOM 0 HA PRO A 102 3.266 20.820 2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.823 23.190 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.765 22.024 0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.204 22.458 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.517 22.170 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.724 20.179 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.221 19.852 1.717 1.00 0.00 H new ATOM 1546 N VAL A 103 3.952 21.439 4.688 1.00 0.00 N ATOM 1547 CA VAL A 103 4.477 21.983 5.935 1.00 0.00 C ATOM 1548 C VAL A 103 4.374 23.504 5.958 1.00 0.00 C ATOM 1549 O VAL A 103 3.917 24.120 4.996 1.00 0.00 O ATOM 1550 CB VAL A 103 5.946 21.576 6.151 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.784 21.937 4.934 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.502 22.232 7.405 1.00 0.00 C ATOM 0 H VAL A 103 4.567 20.767 4.229 1.00 0.00 H new ATOM 0 HA VAL A 103 3.871 21.568 6.740 1.00 0.00 H new ATOM 0 HB VAL A 103 5.990 20.495 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.819 21.642 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.398 21.415 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.736 23.013 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.541 21.933 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.447 23.316 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.917 21.918 8.270 1.00 0.00 H new