USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 599 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 35 HIS : no HD1:sc= -0.582 K(o=-0.085,f=-2.3!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.497 K(o=-0.085,f=-2.5!) USER MOD Set 2.1: A 51 THR OG1 : rot -42:sc= 0.941 USER MOD Set 2.2: A 64 THR OG1 : rot -17:sc= 1.69 USER MOD Set 3.1: A 7 MET CE :methyl 174:sc= -0.86 (180deg=-1.08) USER MOD Set 3.2: A 23 ASN : amide:sc= 0.44 K(o=0.075,f=-3.7!) USER MOD Set 3.3: A 84 TYR OH : rot 49:sc= 0.496 USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0918 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.749 K(o=-0.75,f=-10!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 15 THR OG1 : rot -40:sc= 0.189 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0309) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 1.49 K(o=1.5,f=-1.3) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 37 MET CE :methyl -174:sc= 0 (180deg=-0.0606) USER MOD Single : A 39 THR OG1 : rot 165:sc= 1.35 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00888 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.34) USER MOD Single : A 71 THR OG1 : rot 75:sc= 0.836 USER MOD Single : A 76 ASN : amide:sc= 0.142 X(o=0.14,f=-0.023) USER MOD Single : A 77 THR OG1 : rot -120:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 88:sc= 1.93 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.786 -0.310 -14.860 1.00 0.00 N ATOM 2 CA GLY A 1 13.569 -0.962 -14.380 1.00 0.00 C ATOM 3 C GLY A 1 13.924 -1.972 -13.300 1.00 0.00 C ATOM 4 O GLY A 1 15.023 -2.514 -13.320 1.00 0.00 O ATOM 0 H1 GLY A 1 14.803 -0.328 -15.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.804 0.676 -14.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.618 -0.814 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.878 -0.218 -13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.061 -1.461 -15.206 1.00 0.00 H new ATOM 7 N ASP A 2 12.998 -2.203 -12.369 1.00 0.00 N ATOM 8 CA ASP A 2 13.099 -3.048 -11.195 1.00 0.00 C ATOM 9 C ASP A 2 11.713 -2.998 -10.586 1.00 0.00 C ATOM 10 O ASP A 2 11.154 -1.914 -10.442 1.00 0.00 O ATOM 11 CB ASP A 2 14.130 -2.547 -10.175 1.00 0.00 C ATOM 12 CG ASP A 2 15.273 -3.519 -9.983 1.00 0.00 C ATOM 13 OD1 ASP A 2 15.918 -3.902 -10.977 1.00 0.00 O ATOM 14 OD2 ASP A 2 15.588 -3.817 -8.815 1.00 0.00 O ATOM 0 H ASP A 2 12.081 -1.761 -12.429 1.00 0.00 H new ATOM 0 HA ASP A 2 13.431 -4.049 -11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.526 -1.586 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.637 -2.377 -9.218 1.00 0.00 H new ATOM 19 N GLY A 3 11.123 -4.155 -10.355 1.00 0.00 N ATOM 20 CA GLY A 3 9.808 -4.281 -9.764 1.00 0.00 C ATOM 21 C GLY A 3 9.864 -3.996 -8.271 1.00 0.00 C ATOM 22 O GLY A 3 10.926 -4.143 -7.659 1.00 0.00 O ATOM 0 H GLY A 3 11.555 -5.052 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.118 -3.588 -10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.421 -5.286 -9.934 1.00 0.00 H new ATOM 26 N TYR A 4 8.733 -3.610 -7.684 1.00 0.00 N ATOM 27 CA TYR A 4 8.612 -3.305 -6.267 1.00 0.00 C ATOM 28 C TYR A 4 7.175 -2.916 -5.944 1.00 0.00 C ATOM 29 O TYR A 4 6.353 -2.685 -6.835 1.00 0.00 O ATOM 30 CB TYR A 4 9.545 -2.144 -5.875 1.00 0.00 C ATOM 31 CG TYR A 4 9.507 -0.960 -6.821 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.381 -0.114 -6.871 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.577 -0.738 -7.704 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.348 0.954 -7.777 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.589 0.403 -8.518 1.00 0.00 C ATOM 36 CZ TYR A 4 9.468 1.239 -8.568 1.00 0.00 C ATOM 37 OH TYR A 4 9.450 2.332 -9.377 1.00 0.00 O ATOM 0 H TYR A 4 7.857 -3.499 -8.195 1.00 0.00 H new ATOM 0 HA TYR A 4 8.895 -4.194 -5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.279 -1.802 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.567 -2.518 -5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.544 -0.289 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.390 -1.447 -7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.457 1.559 -7.866 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.464 0.637 -9.107 1.00 0.00 H new ATOM 0 HH TYR A 4 10.300 2.395 -9.861 1.00 0.00 H new ATOM 47 N LEU A 5 6.926 -2.721 -4.654 1.00 0.00 N ATOM 48 CA LEU A 5 5.778 -2.017 -4.130 1.00 0.00 C ATOM 49 C LEU A 5 6.315 -1.165 -2.982 1.00 0.00 C ATOM 50 O LEU A 5 6.885 -1.702 -2.026 1.00 0.00 O ATOM 51 CB LEU A 5 4.707 -3.036 -3.732 1.00 0.00 C ATOM 52 CG LEU A 5 3.449 -2.407 -3.112 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.232 -3.264 -3.473 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.535 -2.334 -1.587 1.00 0.00 C ATOM 0 H LEU A 5 7.547 -3.065 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 5 5.285 -1.360 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.418 -3.608 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.137 -3.741 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 5 3.361 -1.394 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.335 -2.824 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.125 -3.306 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.368 -4.272 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.625 -1.883 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.648 -3.339 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.394 -1.728 -1.300 1.00 0.00 H new ATOM 66 N ILE A 6 6.218 0.150 -3.140 1.00 0.00 N ATOM 67 CA ILE A 6 6.597 1.168 -2.177 1.00 0.00 C ATOM 68 C ILE A 6 5.530 2.255 -2.267 1.00 0.00 C ATOM 69 O ILE A 6 4.821 2.327 -3.279 1.00 0.00 O ATOM 70 CB ILE A 6 7.992 1.738 -2.490 1.00 0.00 C ATOM 71 CG1 ILE A 6 8.137 2.238 -3.942 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.113 0.738 -2.192 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.540 3.710 -3.949 1.00 0.00 C ATOM 0 H ILE A 6 5.849 0.556 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 6 6.656 0.753 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 6 8.091 2.595 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.886 1.645 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.196 2.108 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.076 1.190 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.089 0.469 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.972 -0.157 -2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.640 4.055 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.776 4.299 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.492 3.829 -3.432 1.00 0.00 H new ATOM 85 N MET A 7 5.385 3.078 -1.228 1.00 0.00 N ATOM 86 CA MET A 7 4.483 4.203 -1.238 1.00 0.00 C ATOM 87 C MET A 7 5.240 5.490 -0.981 1.00 0.00 C ATOM 88 O MET A 7 6.454 5.495 -0.786 1.00 0.00 O ATOM 89 CB MET A 7 3.310 3.948 -0.284 1.00 0.00 C ATOM 90 CG MET A 7 3.704 3.657 1.158 1.00 0.00 C ATOM 91 SD MET A 7 2.314 3.414 2.274 1.00 0.00 S ATOM 92 CE MET A 7 3.260 3.289 3.795 1.00 0.00 C ATOM 0 H MET A 7 5.900 2.972 -0.354 1.00 0.00 H new ATOM 0 HA MET A 7 4.038 4.323 -2.226 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.655 4.819 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.729 3.107 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.330 2.765 1.178 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.312 4.482 1.529 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.579 3.240 4.644 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.873 2.388 3.769 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.903 4.163 3.896 1.00 0.00 H new ATOM 102 N CYS A 8 4.534 6.608 -1.053 1.00 0.00 N ATOM 103 CA CYS A 8 5.137 7.905 -1.272 1.00 0.00 C ATOM 104 C CYS A 8 4.251 8.974 -0.667 1.00 0.00 C ATOM 105 O CYS A 8 3.041 8.786 -0.524 1.00 0.00 O ATOM 106 CB CYS A 8 5.274 8.155 -2.776 1.00 0.00 C ATOM 107 SG CYS A 8 6.409 7.116 -3.727 1.00 0.00 S ATOM 0 H CYS A 8 3.519 6.636 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 8 6.122 7.934 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.283 8.055 -3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.581 9.192 -2.913 1.00 0.00 H new ATOM 112 N LYS A 9 4.847 10.111 -0.307 1.00 0.00 N ATOM 113 CA LYS A 9 4.095 11.237 0.220 1.00 0.00 C ATOM 114 C LYS A 9 3.347 12.066 -0.828 1.00 0.00 C ATOM 115 O LYS A 9 2.766 13.106 -0.523 1.00 0.00 O ATOM 116 CB LYS A 9 5.028 12.131 1.002 1.00 0.00 C ATOM 117 CG LYS A 9 5.760 11.282 2.043 1.00 0.00 C ATOM 118 CD LYS A 9 6.220 12.106 3.230 1.00 0.00 C ATOM 119 CE LYS A 9 7.116 13.275 2.806 1.00 0.00 C ATOM 120 NZ LYS A 9 7.823 13.869 3.953 1.00 0.00 N ATOM 0 H LYS A 9 5.852 10.271 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 9 3.320 10.808 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.744 12.609 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.467 12.928 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.101 10.485 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.622 10.803 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.350 12.491 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.763 11.467 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.843 12.928 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.510 14.038 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.418 14.656 3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.130 14.224 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.421 13.147 4.404 1.00 0.00 H new ATOM 134 N ASN A 10 3.429 11.654 -2.079 1.00 0.00 N ATOM 135 CA ASN A 10 2.627 12.154 -3.191 1.00 0.00 C ATOM 136 C ASN A 10 2.621 11.123 -4.316 1.00 0.00 C ATOM 137 O ASN A 10 3.123 10.017 -4.136 1.00 0.00 O ATOM 138 CB ASN A 10 3.084 13.545 -3.656 1.00 0.00 C ATOM 139 CG ASN A 10 4.434 13.578 -4.357 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.922 12.566 -4.826 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.084 14.731 -4.398 1.00 0.00 N ATOM 0 H ASN A 10 4.086 10.928 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 10 1.600 12.291 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.331 13.951 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.125 14.206 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.008 14.781 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.661 15.570 -4.000 1.00 0.00 H new ATOM 148 N CYS A 11 2.058 11.474 -5.472 1.00 0.00 N ATOM 149 CA CYS A 11 1.876 10.543 -6.592 1.00 0.00 C ATOM 150 C CYS A 11 3.129 10.424 -7.465 1.00 0.00 C ATOM 151 O CYS A 11 3.137 9.751 -8.500 1.00 0.00 O ATOM 152 CB CYS A 11 0.699 11.049 -7.423 1.00 0.00 C ATOM 153 SG CYS A 11 0.180 10.055 -8.842 1.00 0.00 S ATOM 0 H CYS A 11 1.713 12.415 -5.661 1.00 0.00 H new ATOM 0 HA CYS A 11 1.684 9.545 -6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.158 11.157 -6.758 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.949 12.046 -7.786 1.00 0.00 H new ATOM 158 N ASP A 12 4.206 11.093 -7.065 1.00 0.00 N ATOM 159 CA ASP A 12 5.458 11.135 -7.801 1.00 0.00 C ATOM 160 C ASP A 12 6.569 10.421 -7.028 1.00 0.00 C ATOM 161 O ASP A 12 6.767 10.707 -5.852 1.00 0.00 O ATOM 162 CB ASP A 12 5.842 12.591 -8.058 1.00 0.00 C ATOM 163 CG ASP A 12 7.057 12.628 -8.939 1.00 0.00 C ATOM 164 OD1 ASP A 12 6.874 12.403 -10.154 1.00 0.00 O ATOM 165 OD2 ASP A 12 8.161 12.901 -8.429 1.00 0.00 O ATOM 0 H ASP A 12 4.229 11.632 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 12 5.328 10.619 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.016 13.120 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.045 13.099 -7.115 1.00 0.00 H new ATOM 170 N PRO A 13 7.326 9.502 -7.644 1.00 0.00 N ATOM 171 CA PRO A 13 8.423 8.867 -6.942 1.00 0.00 C ATOM 172 C PRO A 13 9.485 9.906 -6.583 1.00 0.00 C ATOM 173 O PRO A 13 9.989 9.950 -5.461 1.00 0.00 O ATOM 174 CB PRO A 13 8.962 7.795 -7.891 1.00 0.00 C ATOM 175 CG PRO A 13 8.543 8.277 -9.281 1.00 0.00 C ATOM 176 CD PRO A 13 7.245 9.043 -9.022 1.00 0.00 C ATOM 0 HA PRO A 13 8.109 8.416 -6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.045 7.702 -7.812 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.540 6.815 -7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.303 8.917 -9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.386 7.442 -9.964 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.143 9.883 -9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.376 8.402 -9.171 1.00 0.00 H new ATOM 184 N ASN A 14 9.840 10.741 -7.556 1.00 0.00 N ATOM 185 CA ASN A 14 11.062 11.525 -7.539 1.00 0.00 C ATOM 186 C ASN A 14 11.055 12.521 -6.395 1.00 0.00 C ATOM 187 O ASN A 14 12.007 12.594 -5.621 1.00 0.00 O ATOM 188 CB ASN A 14 11.220 12.272 -8.865 1.00 0.00 C ATOM 189 CG ASN A 14 12.690 12.483 -9.194 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.430 11.524 -9.393 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.123 13.727 -9.293 1.00 0.00 N ATOM 0 H ASN A 14 9.274 10.891 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 14 11.900 10.843 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.741 11.707 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.714 13.236 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.095 13.910 -9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.485 14.504 -9.122 1.00 0.00 H new ATOM 198 N THR A 15 9.973 13.290 -6.289 1.00 0.00 N ATOM 199 CA THR A 15 9.827 14.305 -5.255 1.00 0.00 C ATOM 200 C THR A 15 8.757 13.919 -4.230 1.00 0.00 C ATOM 201 O THR A 15 8.358 14.740 -3.406 1.00 0.00 O ATOM 202 CB THR A 15 9.638 15.686 -5.903 1.00 0.00 C ATOM 203 OG1 THR A 15 9.876 16.708 -4.957 1.00 0.00 O ATOM 204 CG2 THR A 15 8.256 15.862 -6.534 1.00 0.00 C ATOM 0 H THR A 15 9.174 13.225 -6.919 1.00 0.00 H new ATOM 0 HA THR A 15 10.743 14.369 -4.668 1.00 0.00 H new ATOM 0 HB THR A 15 10.367 15.757 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.488 16.452 -4.094 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.181 16.856 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.111 15.109 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.489 15.747 -5.768 1.00 0.00 H new ATOM 212 N GLY A 16 8.327 12.662 -4.215 1.00 0.00 N ATOM 213 CA GLY A 16 7.449 12.184 -3.163 1.00 0.00 C ATOM 214 C GLY A 16 8.227 12.034 -1.869 1.00 0.00 C ATOM 215 O GLY A 16 7.810 12.534 -0.828 1.00 0.00 O ATOM 0 H GLY A 16 8.572 11.963 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.623 12.881 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.013 11.227 -3.448 1.00 0.00 H new ATOM 219 N SER A 17 9.371 11.355 -1.929 1.00 0.00 N ATOM 220 CA SER A 17 10.000 10.742 -0.772 1.00 0.00 C ATOM 221 C SER A 17 9.112 9.564 -0.418 1.00 0.00 C ATOM 222 O SER A 17 7.911 9.700 -0.164 1.00 0.00 O ATOM 223 CB SER A 17 10.200 11.679 0.412 1.00 0.00 C ATOM 224 OG SER A 17 11.306 11.283 1.199 1.00 0.00 O ATOM 0 H SER A 17 9.890 11.216 -2.796 1.00 0.00 H new ATOM 0 HA SER A 17 11.019 10.443 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.353 12.696 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.299 11.690 1.026 1.00 0.00 H new ATOM 0 HG SER A 17 11.412 11.903 1.950 1.00 0.00 H new ATOM 230 N CYS A 18 9.704 8.393 -0.539 1.00 0.00 N ATOM 231 CA CYS A 18 8.987 7.160 -0.693 1.00 0.00 C ATOM 232 C CYS A 18 9.611 6.113 0.195 1.00 0.00 C ATOM 233 O CYS A 18 10.816 6.184 0.452 1.00 0.00 O ATOM 234 CB CYS A 18 9.107 6.761 -2.153 1.00 0.00 C ATOM 235 SG CYS A 18 8.336 7.846 -3.375 1.00 0.00 S ATOM 0 H CYS A 18 10.717 8.278 -0.532 1.00 0.00 H new ATOM 0 HA CYS A 18 7.939 7.263 -0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.167 6.680 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.677 5.766 -2.267 1.00 0.00 H new ATOM 240 N ASP A 19 8.824 5.167 0.704 1.00 0.00 N ATOM 241 CA ASP A 19 9.356 4.154 1.585 1.00 0.00 C ATOM 242 C ASP A 19 9.744 2.911 0.806 1.00 0.00 C ATOM 243 O ASP A 19 9.047 1.900 0.743 1.00 0.00 O ATOM 244 CB ASP A 19 8.414 3.866 2.748 1.00 0.00 C ATOM 245 CG ASP A 19 7.033 3.388 2.376 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.622 3.595 1.219 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.319 3.045 3.339 1.00 0.00 O ATOM 0 H ASP A 19 7.824 5.089 0.518 1.00 0.00 H new ATOM 0 HA ASP A 19 10.271 4.538 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.877 3.115 3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.315 4.774 3.343 1.00 0.00 H new ATOM 252 N TRP A 20 11.022 2.941 0.454 1.00 0.00 N ATOM 253 CA TRP A 20 11.864 1.825 0.093 1.00 0.00 C ATOM 254 C TRP A 20 12.346 1.277 1.438 1.00 0.00 C ATOM 255 O TRP A 20 13.531 1.291 1.768 1.00 0.00 O ATOM 256 CB TRP A 20 13.003 2.338 -0.807 1.00 0.00 C ATOM 257 CG TRP A 20 12.614 3.257 -1.936 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.525 4.604 -1.857 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.287 2.933 -3.321 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.171 5.129 -3.080 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.988 4.141 -4.020 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.231 1.740 -4.066 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.622 4.159 -5.374 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.890 1.746 -5.430 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.564 2.949 -6.081 1.00 0.00 C ATOM 0 H TRP A 20 11.532 3.823 0.412 1.00 0.00 H new ATOM 0 HA TRP A 20 11.369 1.040 -0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.725 2.859 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.515 1.475 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.705 5.184 -0.964 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.059 6.126 -3.266 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.454 0.802 -3.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.388 5.092 -5.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.878 0.818 -5.983 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.270 2.941 -7.120 1.00 0.00 H new ATOM 276 N LYS A 21 11.369 0.908 2.262 1.00 0.00 N ATOM 277 CA LYS A 21 11.500 0.226 3.537 1.00 0.00 C ATOM 278 C LYS A 21 10.754 -1.095 3.402 1.00 0.00 C ATOM 279 O LYS A 21 10.162 -1.364 2.354 1.00 0.00 O ATOM 280 CB LYS A 21 10.916 1.094 4.665 1.00 0.00 C ATOM 281 CG LYS A 21 11.859 1.144 5.873 1.00 0.00 C ATOM 282 CD LYS A 21 13.065 2.031 5.533 1.00 0.00 C ATOM 283 CE LYS A 21 14.197 1.964 6.564 1.00 0.00 C ATOM 284 NZ LYS A 21 13.731 2.102 7.958 1.00 0.00 N ATOM 0 H LYS A 21 10.392 1.094 2.034 1.00 0.00 H new ATOM 0 HA LYS A 21 12.544 0.045 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.740 2.104 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.949 0.694 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.335 1.540 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.192 0.139 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.456 1.737 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.730 3.064 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.720 1.014 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.919 2.752 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.552 2.167 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.154 2.963 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.158 1.273 8.216 1.00 0.00 H new ATOM 298 N GLN A 22 10.774 -1.932 4.441 1.00 0.00 N ATOM 299 CA GLN A 22 10.019 -3.167 4.351 1.00 0.00 C ATOM 300 C GLN A 22 8.537 -2.804 4.316 1.00 0.00 C ATOM 301 O GLN A 22 8.097 -1.909 5.036 1.00 0.00 O ATOM 302 CB GLN A 22 10.335 -4.083 5.536 1.00 0.00 C ATOM 303 CG GLN A 22 9.922 -5.534 5.249 1.00 0.00 C ATOM 304 CD GLN A 22 10.491 -6.495 6.282 1.00 0.00 C ATOM 305 OE1 GLN A 22 9.763 -7.076 7.085 1.00 0.00 O ATOM 306 NE2 GLN A 22 11.807 -6.661 6.292 1.00 0.00 N ATOM 0 H GLN A 22 11.282 -1.783 5.313 1.00 0.00 H new ATOM 0 HA GLN A 22 10.290 -3.713 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.402 -4.043 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.815 -3.724 6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.835 -5.608 5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.267 -5.821 4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.388 -6.167 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.237 -7.282 6.977 1.00 0.00 H new ATOM 315 N ASN A 23 7.772 -3.555 3.538 1.00 0.00 N ATOM 316 CA ASN A 23 6.354 -3.319 3.285 1.00 0.00 C ATOM 317 C ASN A 23 5.600 -4.648 3.265 1.00 0.00 C ATOM 318 O ASN A 23 4.371 -4.671 3.235 1.00 0.00 O ATOM 319 CB ASN A 23 6.147 -2.599 1.936 1.00 0.00 C ATOM 320 CG ASN A 23 6.593 -1.138 1.955 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.355 -0.429 2.927 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.225 -0.662 0.885 1.00 0.00 N ATOM 0 H ASN A 23 8.131 -4.374 3.048 1.00 0.00 H new ATOM 0 HA ASN A 23 5.969 -2.686 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.699 -3.130 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.092 -2.646 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.523 0.313 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.411 -1.272 0.089 1.00 0.00 H new ATOM 329 N TRP A 24 6.323 -5.766 3.218 1.00 0.00 N ATOM 330 CA TRP A 24 5.810 -7.065 2.906 1.00 0.00 C ATOM 331 C TRP A 24 5.298 -7.707 4.192 1.00 0.00 C ATOM 332 O TRP A 24 5.511 -7.166 5.270 1.00 0.00 O ATOM 333 CB TRP A 24 6.995 -7.762 2.243 1.00 0.00 C ATOM 334 CG TRP A 24 6.937 -9.228 2.149 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.479 -10.047 3.061 1.00 0.00 C ATOM 336 CD2 TRP A 24 6.284 -10.060 1.167 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.246 -11.357 2.682 1.00 0.00 N ATOM 338 CE2 TRP A 24 6.513 -11.422 1.508 1.00 0.00 C ATOM 339 CE3 TRP A 24 5.495 -9.789 0.037 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.992 -12.470 0.731 1.00 0.00 C ATOM 341 CZ3 TRP A 24 4.963 -10.828 -0.735 1.00 0.00 C ATOM 342 CH2 TRP A 24 5.193 -12.167 -0.387 1.00 0.00 C ATOM 0 H TRP A 24 7.325 -5.773 3.408 1.00 0.00 H new ATOM 0 HA TRP A 24 4.952 -7.098 2.234 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.104 -7.362 1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.897 -7.493 2.792 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.011 -9.735 3.948 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.573 -12.172 3.201 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.296 -8.764 -0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.202 -13.497 0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.370 -10.596 -1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.759 -12.962 -0.975 1.00 0.00 H new ATOM 353 N ASN A 25 4.658 -8.868 4.045 1.00 0.00 N ATOM 354 CA ASN A 25 3.820 -9.623 4.962 1.00 0.00 C ATOM 355 C ASN A 25 4.238 -9.501 6.419 1.00 0.00 C ATOM 356 O ASN A 25 4.756 -10.432 7.042 1.00 0.00 O ATOM 357 CB ASN A 25 3.828 -11.091 4.523 1.00 0.00 C ATOM 358 CG ASN A 25 2.780 -11.379 3.461 1.00 0.00 C ATOM 359 OD1 ASN A 25 1.588 -11.383 3.759 1.00 0.00 O ATOM 360 ND2 ASN A 25 3.200 -11.648 2.233 1.00 0.00 N ATOM 0 H ASN A 25 4.730 -9.362 3.156 1.00 0.00 H new ATOM 0 HA ASN A 25 2.815 -9.203 4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.814 -11.347 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.650 -11.728 5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.526 -11.867 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.198 -11.636 2.021 1.00 0.00 H new ATOM 367 N THR A 26 3.877 -8.351 6.959 1.00 0.00 N ATOM 368 CA THR A 26 3.900 -7.959 8.360 1.00 0.00 C ATOM 369 C THR A 26 3.293 -6.561 8.474 1.00 0.00 C ATOM 370 O THR A 26 2.851 -5.992 7.480 1.00 0.00 O ATOM 371 CB THR A 26 5.300 -8.079 8.995 1.00 0.00 C ATOM 372 OG1 THR A 26 5.212 -7.847 10.386 1.00 0.00 O ATOM 373 CG2 THR A 26 6.357 -7.146 8.396 1.00 0.00 C ATOM 0 H THR A 26 3.526 -7.594 6.372 1.00 0.00 H new ATOM 0 HA THR A 26 3.295 -8.653 8.943 1.00 0.00 H new ATOM 0 HB THR A 26 5.634 -9.094 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.102 -7.925 10.788 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.309 -7.300 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.474 -7.362 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.042 -6.110 8.523 1.00 0.00 H new ATOM 381 N CYS A 27 3.203 -6.034 9.690 1.00 0.00 N ATOM 382 CA CYS A 27 2.524 -4.784 9.979 1.00 0.00 C ATOM 383 C CYS A 27 3.349 -3.615 9.449 1.00 0.00 C ATOM 384 O CYS A 27 4.543 -3.537 9.750 1.00 0.00 O ATOM 385 CB CYS A 27 2.320 -4.641 11.489 1.00 0.00 C ATOM 386 SG CYS A 27 0.911 -3.635 11.983 1.00 0.00 S ATOM 0 H CYS A 27 3.609 -6.475 10.515 1.00 0.00 H new ATOM 0 HA CYS A 27 1.550 -4.782 9.489 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.204 -5.636 11.919 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.223 -4.210 11.922 1.00 0.00 H new ATOM 391 N VAL A 28 2.750 -2.731 8.653 1.00 0.00 N ATOM 392 CA VAL A 28 3.411 -1.562 8.091 1.00 0.00 C ATOM 393 C VAL A 28 2.554 -0.347 8.433 1.00 0.00 C ATOM 394 O VAL A 28 1.328 -0.402 8.330 1.00 0.00 O ATOM 395 CB VAL A 28 3.557 -1.709 6.570 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.563 -0.696 6.010 1.00 0.00 C ATOM 397 CG2 VAL A 28 4.002 -3.107 6.150 1.00 0.00 C ATOM 0 H VAL A 28 1.771 -2.812 8.377 1.00 0.00 H new ATOM 0 HA VAL A 28 4.413 -1.451 8.505 1.00 0.00 H new ATOM 0 HB VAL A 28 2.564 -1.523 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.646 -0.824 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.222 0.315 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.538 -0.859 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.088 -3.151 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.969 -3.331 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.267 -3.839 6.485 1.00 0.00 H new ATOM 407 N GLY A 29 3.171 0.733 8.908 1.00 0.00 N ATOM 408 CA GLY A 29 2.482 1.962 9.246 1.00 0.00 C ATOM 409 C GLY A 29 2.087 2.756 7.998 1.00 0.00 C ATOM 410 O GLY A 29 2.648 2.532 6.928 1.00 0.00 O ATOM 0 H GLY A 29 4.177 0.773 9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.589 1.730 9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.123 2.576 9.879 1.00 0.00 H new ATOM 414 N ILE A 30 1.146 3.691 8.129 1.00 0.00 N ATOM 415 CA ILE A 30 0.833 4.746 7.171 1.00 0.00 C ATOM 416 C ILE A 30 0.671 6.030 7.992 1.00 0.00 C ATOM 417 O ILE A 30 0.277 5.964 9.158 1.00 0.00 O ATOM 418 CB ILE A 30 -0.472 4.427 6.401 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.344 3.131 5.583 1.00 0.00 C ATOM 420 CG2 ILE A 30 -0.830 5.599 5.473 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.671 2.618 5.016 1.00 0.00 C ATOM 0 H ILE A 30 0.549 3.733 8.955 1.00 0.00 H new ATOM 0 HA ILE A 30 1.621 4.844 6.425 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.267 4.283 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.350 3.300 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.093 2.357 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.749 5.369 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.974 6.502 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.021 5.759 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.496 1.702 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.362 2.414 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.101 3.372 4.357 1.00 0.00 H new ATOM 433 N GLY A 31 0.943 7.195 7.402 1.00 0.00 N ATOM 434 CA GLY A 31 0.498 8.476 7.935 1.00 0.00 C ATOM 435 C GLY A 31 1.376 9.630 7.458 1.00 0.00 C ATOM 436 O GLY A 31 2.540 9.416 7.116 1.00 0.00 O ATOM 0 H GLY A 31 1.480 7.273 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.533 8.656 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.508 8.439 9.024 1.00 0.00 H new ATOM 440 N ALA A 32 0.815 10.841 7.471 1.00 0.00 N ATOM 441 CA ALA A 32 1.443 12.126 7.205 1.00 0.00 C ATOM 442 C ALA A 32 1.876 12.273 5.757 1.00 0.00 C ATOM 443 O ALA A 32 3.001 11.960 5.385 1.00 0.00 O ATOM 444 CB ALA A 32 2.545 12.439 8.205 1.00 0.00 C ATOM 0 H ALA A 32 -0.176 10.951 7.687 1.00 0.00 H new ATOM 0 HA ALA A 32 0.681 12.891 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.986 13.407 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.126 12.467 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.313 11.668 8.153 1.00 0.00 H new ATOM 450 N ASN A 33 0.927 12.722 4.940 1.00 0.00 N ATOM 451 CA ASN A 33 0.986 12.897 3.491 1.00 0.00 C ATOM 452 C ASN A 33 1.234 11.583 2.756 1.00 0.00 C ATOM 453 O ASN A 33 1.226 11.556 1.531 1.00 0.00 O ATOM 454 CB ASN A 33 2.094 13.896 3.103 1.00 0.00 C ATOM 455 CG ASN A 33 1.993 15.233 3.828 1.00 0.00 C ATOM 456 OD1 ASN A 33 0.899 15.723 4.085 1.00 0.00 O ATOM 457 ND2 ASN A 33 3.116 15.835 4.199 1.00 0.00 N ATOM 0 H ASN A 33 0.016 12.997 5.308 1.00 0.00 H new ATOM 0 HA ASN A 33 0.012 13.283 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.065 13.449 3.316 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.053 14.071 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.077 16.719 4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.018 15.414 3.977 1.00 0.00 H new ATOM 464 N VAL A 34 1.299 10.460 3.467 1.00 0.00 N ATOM 465 CA VAL A 34 1.500 9.161 2.851 1.00 0.00 C ATOM 466 C VAL A 34 0.113 8.683 2.477 1.00 0.00 C ATOM 467 O VAL A 34 -0.625 8.218 3.348 1.00 0.00 O ATOM 468 CB VAL A 34 2.207 8.198 3.817 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.303 6.787 3.228 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.636 8.660 4.111 1.00 0.00 C ATOM 0 H VAL A 34 1.214 10.430 4.483 1.00 0.00 H new ATOM 0 HA VAL A 34 2.146 9.213 1.975 1.00 0.00 H new ATOM 0 HB VAL A 34 1.611 8.189 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.808 6.131 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.301 6.406 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.868 6.819 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.111 7.959 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.204 8.699 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.612 9.651 4.564 1.00 0.00 H new ATOM 480 N HIS A 35 -0.270 8.850 1.217 1.00 0.00 N ATOM 481 CA HIS A 35 -1.525 8.304 0.735 1.00 0.00 C ATOM 482 C HIS A 35 -1.438 7.858 -0.719 1.00 0.00 C ATOM 483 O HIS A 35 -2.436 7.877 -1.439 1.00 0.00 O ATOM 484 CB HIS A 35 -2.671 9.275 1.024 1.00 0.00 C ATOM 485 CG HIS A 35 -2.886 10.433 0.090 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.859 10.455 -0.883 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.428 11.714 0.249 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.991 11.722 -1.301 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.118 12.524 -0.663 1.00 0.00 N ATOM 0 H HIS A 35 0.270 9.357 0.516 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.745 7.390 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.595 8.697 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.517 9.681 2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.673 12.040 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.699 12.053 -2.046 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.985 13.524 -0.814 1.00 0.00 H new ATOM 497 N TRP A 36 -0.247 7.449 -1.152 1.00 0.00 N ATOM 498 CA TRP A 36 0.008 7.123 -2.539 1.00 0.00 C ATOM 499 C TRP A 36 0.987 5.971 -2.612 1.00 0.00 C ATOM 500 O TRP A 36 2.147 6.130 -2.265 1.00 0.00 O ATOM 501 CB TRP A 36 0.647 8.336 -3.188 1.00 0.00 C ATOM 502 CG TRP A 36 -0.265 9.507 -3.283 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.485 10.460 -2.351 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.257 9.714 -4.311 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.458 11.320 -2.813 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.998 10.885 -4.005 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.648 8.966 -5.433 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -3.061 11.316 -4.808 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.685 9.410 -6.271 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.394 10.581 -5.959 1.00 0.00 C ATOM 0 H TRP A 36 0.564 7.337 -0.544 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.920 6.849 -3.041 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.532 8.620 -2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.986 8.067 -4.189 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.019 10.536 -1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.743 12.173 -2.332 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.145 8.037 -5.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.619 12.203 -4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.938 8.848 -7.158 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.194 10.917 -6.602 1.00 0.00 H new ATOM 521 N MET A 37 0.538 4.832 -3.098 1.00 0.00 N ATOM 522 CA MET A 37 1.406 3.724 -3.449 1.00 0.00 C ATOM 523 C MET A 37 1.844 3.950 -4.893 1.00 0.00 C ATOM 524 O MET A 37 1.040 4.423 -5.690 1.00 0.00 O ATOM 525 CB MET A 37 0.660 2.416 -3.208 1.00 0.00 C ATOM 526 CG MET A 37 1.498 1.167 -3.474 1.00 0.00 C ATOM 527 SD MET A 37 0.519 -0.351 -3.577 1.00 0.00 S ATOM 528 CE MET A 37 -0.077 -0.470 -1.878 1.00 0.00 C ATOM 0 H MET A 37 -0.451 4.646 -3.263 1.00 0.00 H new ATOM 0 HA MET A 37 2.305 3.663 -2.835 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.310 2.394 -2.176 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.224 2.391 -3.845 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.047 1.300 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.238 1.060 -2.681 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.611 -1.411 -1.745 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.769 -0.432 -1.192 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.750 0.362 -1.669 1.00 0.00 H new ATOM 538 N VAL A 38 3.102 3.683 -5.238 1.00 0.00 N ATOM 539 CA VAL A 38 3.621 3.982 -6.568 1.00 0.00 C ATOM 540 C VAL A 38 4.472 2.787 -7.006 1.00 0.00 C ATOM 541 O VAL A 38 5.643 2.672 -6.641 1.00 0.00 O ATOM 542 CB VAL A 38 4.357 5.338 -6.564 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.470 5.849 -8.001 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.613 6.425 -5.769 1.00 0.00 C ATOM 0 H VAL A 38 3.783 3.257 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 38 2.827 4.107 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 38 5.327 5.161 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.989 6.807 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.029 5.130 -8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.472 5.974 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.181 7.355 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.628 6.585 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.502 6.106 -4.733 1.00 0.00 H new ATOM 554 N THR A 39 3.862 1.880 -7.764 1.00 0.00 N ATOM 555 CA THR A 39 4.295 0.497 -7.925 1.00 0.00 C ATOM 556 C THR A 39 5.203 0.254 -9.142 1.00 0.00 C ATOM 557 O THR A 39 5.109 0.946 -10.159 1.00 0.00 O ATOM 558 CB THR A 39 3.007 -0.326 -8.052 1.00 0.00 C ATOM 559 OG1 THR A 39 2.081 0.403 -8.837 1.00 0.00 O ATOM 560 CG2 THR A 39 2.350 -0.600 -6.703 1.00 0.00 C ATOM 0 H THR A 39 3.023 2.097 -8.302 1.00 0.00 H new ATOM 0 HA THR A 39 4.907 0.213 -7.069 1.00 0.00 H new ATOM 0 HB THR A 39 3.275 -1.281 -8.504 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.359 -0.192 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.443 -1.186 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.040 -1.156 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.097 0.345 -6.223 1.00 0.00 H new ATOM 568 N GLY A 40 6.075 -0.758 -9.044 1.00 0.00 N ATOM 569 CA GLY A 40 7.051 -1.131 -10.059 1.00 0.00 C ATOM 570 C GLY A 40 6.850 -2.592 -10.432 1.00 0.00 C ATOM 571 O GLY A 40 6.533 -3.423 -9.583 1.00 0.00 O ATOM 0 H GLY A 40 6.116 -1.359 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.937 -0.499 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.062 -0.975 -9.683 1.00 0.00 H new ATOM 575 N GLY A 41 7.044 -2.910 -11.706 1.00 0.00 N ATOM 576 CA GLY A 41 6.479 -4.108 -12.313 1.00 0.00 C ATOM 577 C GLY A 41 7.384 -4.805 -13.282 1.00 0.00 C ATOM 578 O GLY A 41 7.289 -6.009 -13.505 1.00 0.00 O ATOM 0 H GLY A 41 7.598 -2.343 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.209 -4.807 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.557 -3.838 -12.828 1.00 0.00 H new ATOM 582 N SER A 42 8.179 -3.992 -13.943 1.00 0.00 N ATOM 583 CA SER A 42 9.407 -4.377 -14.578 1.00 0.00 C ATOM 584 C SER A 42 10.152 -5.454 -13.776 1.00 0.00 C ATOM 585 O SER A 42 9.946 -5.577 -12.572 1.00 0.00 O ATOM 586 CB SER A 42 10.213 -3.116 -14.439 1.00 0.00 C ATOM 587 OG SER A 42 9.775 -2.107 -15.326 1.00 0.00 O ATOM 0 H SER A 42 7.971 -3.000 -14.054 1.00 0.00 H new ATOM 0 HA SER A 42 9.249 -4.764 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.143 -2.753 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.264 -3.335 -14.629 1.00 0.00 H new ATOM 0 HG SER A 42 10.323 -1.304 -15.204 1.00 0.00 H new ATOM 593 N THR A 43 11.045 -6.207 -14.416 1.00 0.00 N ATOM 594 CA THR A 43 11.646 -7.396 -13.821 1.00 0.00 C ATOM 595 C THR A 43 10.554 -8.284 -13.197 1.00 0.00 C ATOM 596 O THR A 43 10.780 -9.001 -12.227 1.00 0.00 O ATOM 597 CB THR A 43 12.839 -6.995 -12.915 1.00 0.00 C ATOM 598 OG1 THR A 43 13.997 -7.740 -13.247 1.00 0.00 O ATOM 599 CG2 THR A 43 12.638 -7.078 -11.399 1.00 0.00 C ATOM 0 H THR A 43 11.371 -6.009 -15.362 1.00 0.00 H new ATOM 0 HA THR A 43 12.102 -8.039 -14.574 1.00 0.00 H new ATOM 0 HB THR A 43 12.944 -5.932 -13.132 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.738 -7.470 -12.665 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.553 -6.769 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.820 -6.421 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.398 -8.104 -11.119 1.00 0.00 H new ATOM 607 N ASP A 44 9.354 -8.242 -13.783 1.00 0.00 N ATOM 608 CA ASP A 44 8.223 -9.084 -13.406 1.00 0.00 C ATOM 609 C ASP A 44 7.844 -8.876 -11.932 1.00 0.00 C ATOM 610 O ASP A 44 7.419 -9.781 -11.216 1.00 0.00 O ATOM 611 CB ASP A 44 8.545 -10.526 -13.800 1.00 0.00 C ATOM 612 CG ASP A 44 7.473 -11.526 -13.444 1.00 0.00 C ATOM 613 OD1 ASP A 44 6.366 -11.430 -14.008 1.00 0.00 O ATOM 614 OD2 ASP A 44 7.798 -12.473 -12.690 1.00 0.00 O ATOM 0 H ASP A 44 9.140 -7.605 -14.551 1.00 0.00 H new ATOM 0 HA ASP A 44 7.320 -8.802 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.718 -10.565 -14.875 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.476 -10.822 -13.316 1.00 0.00 H new ATOM 619 N GLY A 45 7.929 -7.614 -11.511 1.00 0.00 N ATOM 620 CA GLY A 45 7.251 -7.073 -10.351 1.00 0.00 C ATOM 621 C GLY A 45 5.804 -7.524 -10.329 1.00 0.00 C ATOM 622 O GLY A 45 5.302 -7.960 -9.294 1.00 0.00 O ATOM 0 H GLY A 45 8.498 -6.919 -11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.755 -7.400 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.299 -5.984 -10.368 1.00 0.00 H new ATOM 626 N LYS A 46 5.151 -7.391 -11.485 1.00 0.00 N ATOM 627 CA LYS A 46 3.708 -7.560 -11.642 1.00 0.00 C ATOM 628 C LYS A 46 2.957 -6.677 -10.637 1.00 0.00 C ATOM 629 O LYS A 46 3.563 -5.845 -9.955 1.00 0.00 O ATOM 630 CB LYS A 46 3.334 -9.049 -11.538 1.00 0.00 C ATOM 631 CG LYS A 46 3.840 -9.800 -12.771 1.00 0.00 C ATOM 632 CD LYS A 46 3.475 -11.290 -12.716 1.00 0.00 C ATOM 633 CE LYS A 46 4.271 -12.003 -11.615 1.00 0.00 C ATOM 634 NZ LYS A 46 4.307 -13.465 -11.799 1.00 0.00 N ATOM 0 H LYS A 46 5.624 -7.157 -12.358 1.00 0.00 H new ATOM 0 HA LYS A 46 3.403 -7.229 -12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.768 -9.480 -10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.253 -9.156 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.414 -9.354 -13.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.922 -9.693 -12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.407 -11.401 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.680 -11.756 -13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.290 -11.617 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.829 -11.773 -10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.856 -13.898 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.337 -13.841 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.753 -13.689 -12.711 1.00 0.00 H new ATOM 648 N GLN A 47 1.634 -6.812 -10.567 1.00 0.00 N ATOM 649 CA GLN A 47 0.862 -6.149 -9.531 1.00 0.00 C ATOM 650 C GLN A 47 1.428 -6.465 -8.154 1.00 0.00 C ATOM 651 O GLN A 47 2.051 -7.508 -7.942 1.00 0.00 O ATOM 652 CB GLN A 47 -0.619 -6.549 -9.616 1.00 0.00 C ATOM 653 CG GLN A 47 -0.848 -8.016 -9.220 1.00 0.00 C ATOM 654 CD GLN A 47 -2.134 -8.551 -9.830 1.00 0.00 C ATOM 655 OE1 GLN A 47 -2.103 -9.493 -10.620 1.00 0.00 O ATOM 656 NE2 GLN A 47 -3.264 -7.937 -9.514 1.00 0.00 N ATOM 0 H GLN A 47 1.081 -7.373 -11.215 1.00 0.00 H new ATOM 0 HA GLN A 47 0.932 -5.073 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.206 -5.903 -8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.979 -6.388 -10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.005 -8.622 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.894 -8.100 -8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.254 -7.159 -8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.144 -8.242 -9.930 1.00 0.00 H new ATOM 665 N GLY A 48 1.194 -5.566 -7.216 1.00 0.00 N ATOM 666 CA GLY A 48 1.432 -5.804 -5.807 1.00 0.00 C ATOM 667 C GLY A 48 0.127 -5.497 -5.100 1.00 0.00 C ATOM 668 O GLY A 48 -0.594 -4.583 -5.511 1.00 0.00 O ATOM 0 H GLY A 48 0.827 -4.635 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.736 -6.836 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.235 -5.168 -5.435 1.00 0.00 H new ATOM 672 N CYS A 49 -0.230 -6.291 -4.094 1.00 0.00 N ATOM 673 CA CYS A 49 -1.472 -6.102 -3.382 1.00 0.00 C ATOM 674 C CYS A 49 -1.199 -6.107 -1.899 1.00 0.00 C ATOM 675 O CYS A 49 -0.171 -6.618 -1.448 1.00 0.00 O ATOM 676 CB CYS A 49 -2.472 -7.197 -3.735 1.00 0.00 C ATOM 677 SG CYS A 49 -2.775 -7.501 -5.489 1.00 0.00 S ATOM 0 H CYS A 49 0.333 -7.073 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.904 -5.145 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.127 -8.128 -3.285 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.424 -6.950 -3.265 1.00 0.00 H new ATOM 682 N ALA A 50 -2.114 -5.512 -1.144 1.00 0.00 N ATOM 683 CA ALA A 50 -1.965 -5.318 0.278 1.00 0.00 C ATOM 684 C ALA A 50 -3.320 -5.388 0.960 1.00 0.00 C ATOM 685 O ALA A 50 -4.349 -5.093 0.350 1.00 0.00 O ATOM 686 CB ALA A 50 -1.312 -3.956 0.530 1.00 0.00 C ATOM 0 H ALA A 50 -2.991 -5.148 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.333 -6.105 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.196 -3.801 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.333 -3.928 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.942 -3.168 0.116 1.00 0.00 H new ATOM 692 N THR A 51 -3.312 -5.750 2.236 1.00 0.00 N ATOM 693 CA THR A 51 -4.455 -5.618 3.116 1.00 0.00 C ATOM 694 C THR A 51 -4.236 -4.362 3.946 1.00 0.00 C ATOM 695 O THR A 51 -3.134 -4.135 4.439 1.00 0.00 O ATOM 696 CB THR A 51 -4.600 -6.883 3.965 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.558 -8.011 3.113 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.907 -6.910 4.763 1.00 0.00 C ATOM 0 H THR A 51 -2.493 -6.151 2.693 1.00 0.00 H new ATOM 0 HA THR A 51 -5.390 -5.515 2.566 1.00 0.00 H new ATOM 0 HB THR A 51 -3.779 -6.896 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.085 -7.832 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.958 -7.829 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.942 -6.051 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.753 -6.869 4.077 1.00 0.00 H new ATOM 706 N ILE A 52 -5.254 -3.512 4.025 1.00 0.00 N ATOM 707 CA ILE A 52 -5.177 -2.161 4.546 1.00 0.00 C ATOM 708 C ILE A 52 -6.039 -2.124 5.811 1.00 0.00 C ATOM 709 O ILE A 52 -7.078 -2.788 5.830 1.00 0.00 O ATOM 710 CB ILE A 52 -5.749 -1.196 3.486 1.00 0.00 C ATOM 711 CG1 ILE A 52 -5.374 -1.519 2.026 1.00 0.00 C ATOM 712 CG2 ILE A 52 -5.399 0.255 3.822 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.874 -1.534 1.732 1.00 0.00 C ATOM 0 H ILE A 52 -6.193 -3.761 3.713 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.152 -1.868 4.774 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.828 -1.341 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.789 -2.493 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.849 -0.786 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.813 0.915 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.818 0.515 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.316 0.370 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.712 -1.770 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.450 -0.555 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.389 -2.288 2.352 1.00 0.00 H new ATOM 725 N TRP A 53 -5.657 -1.363 6.843 1.00 0.00 N ATOM 726 CA TRP A 53 -6.391 -1.302 8.103 1.00 0.00 C ATOM 727 C TRP A 53 -6.614 0.133 8.587 1.00 0.00 C ATOM 728 O TRP A 53 -5.803 1.034 8.345 1.00 0.00 O ATOM 729 CB TRP A 53 -5.638 -2.073 9.188 1.00 0.00 C ATOM 730 CG TRP A 53 -5.871 -3.549 9.235 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.853 -4.169 9.923 1.00 0.00 C ATOM 732 CD2 TRP A 53 -5.115 -4.610 8.590 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.733 -5.534 9.783 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.670 -5.867 8.972 1.00 0.00 C ATOM 735 CE3 TRP A 53 -4.019 -4.635 7.708 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -5.150 -7.088 8.521 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.477 -5.852 7.266 1.00 0.00 C ATOM 738 CH2 TRP A 53 -4.038 -7.077 7.665 1.00 0.00 C ATOM 0 H TRP A 53 -4.826 -0.771 6.823 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.366 -1.751 7.917 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.570 -1.899 9.053 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.909 -1.653 10.157 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.619 -3.669 10.498 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.353 -6.213 10.224 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.589 -3.705 7.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.598 -8.022 8.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.618 -5.847 6.611 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.615 -8.007 7.314 1.00 0.00 H new ATOM 749 N GLU A 54 -7.707 0.309 9.331 1.00 0.00 N ATOM 750 CA GLU A 54 -8.129 1.547 9.942 1.00 0.00 C ATOM 751 C GLU A 54 -7.503 1.668 11.327 1.00 0.00 C ATOM 752 O GLU A 54 -7.246 2.779 11.779 1.00 0.00 O ATOM 753 CB GLU A 54 -9.662 1.566 9.996 1.00 0.00 C ATOM 754 CG GLU A 54 -10.237 2.957 10.287 1.00 0.00 C ATOM 755 CD GLU A 54 -11.718 3.010 9.973 1.00 0.00 C ATOM 756 OE1 GLU A 54 -12.411 2.020 10.281 1.00 0.00 O ATOM 757 OE2 GLU A 54 -12.157 3.999 9.348 1.00 0.00 O ATOM 0 H GLU A 54 -8.350 -0.458 9.528 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.797 2.406 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.057 1.208 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.001 0.871 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.075 3.209 11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.709 3.704 9.694 1.00 0.00 H new ATOM 764 N GLY A 55 -7.309 0.561 12.041 1.00 0.00 N ATOM 765 CA GLY A 55 -6.559 0.602 13.285 1.00 0.00 C ATOM 766 C GLY A 55 -5.105 0.955 13.000 1.00 0.00 C ATOM 767 O GLY A 55 -4.524 0.499 12.012 1.00 0.00 O ATOM 0 H GLY A 55 -7.657 -0.362 11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.996 1.338 13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.617 -0.364 13.787 1.00 0.00 H new ATOM 771 N SER A 56 -4.503 1.756 13.875 1.00 0.00 N ATOM 772 CA SER A 56 -3.076 1.829 13.997 1.00 0.00 C ATOM 773 C SER A 56 -2.618 0.452 14.453 1.00 0.00 C ATOM 774 O SER A 56 -3.366 -0.283 15.091 1.00 0.00 O ATOM 775 CB SER A 56 -2.701 2.911 15.014 1.00 0.00 C ATOM 776 OG SER A 56 -3.460 4.086 14.767 1.00 0.00 O ATOM 0 H SER A 56 -5.006 2.370 14.516 1.00 0.00 H new ATOM 0 HA SER A 56 -2.595 2.096 13.056 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.888 2.552 16.026 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.636 3.134 14.946 1.00 0.00 H new ATOM 0 HG SER A 56 -3.218 4.775 15.421 1.00 0.00 H new ATOM 782 N GLY A 57 -1.401 0.109 14.087 1.00 0.00 N ATOM 783 CA GLY A 57 -0.830 -1.207 14.315 1.00 0.00 C ATOM 784 C GLY A 57 -1.668 -2.314 13.665 1.00 0.00 C ATOM 785 O GLY A 57 -1.799 -3.398 14.222 1.00 0.00 O ATOM 0 H GLY A 57 -0.765 0.750 13.612 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.184 -1.237 13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.756 -1.390 15.387 1.00 0.00 H new ATOM 789 N CYS A 58 -2.197 -2.047 12.465 1.00 0.00 N ATOM 790 CA CYS A 58 -2.851 -3.007 11.573 1.00 0.00 C ATOM 791 C CYS A 58 -3.833 -3.940 12.277 1.00 0.00 C ATOM 792 O CYS A 58 -3.834 -5.149 12.054 1.00 0.00 O ATOM 793 CB CYS A 58 -1.857 -3.771 10.676 1.00 0.00 C ATOM 794 SG CYS A 58 -0.718 -4.877 11.531 1.00 0.00 S ATOM 0 H CYS A 58 -2.179 -1.106 12.071 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.460 -2.393 10.909 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.425 -4.355 9.951 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.273 -3.044 10.112 1.00 0.00 H new ATOM 799 N VAL A 59 -4.742 -3.348 13.052 1.00 0.00 N ATOM 800 CA VAL A 59 -5.896 -4.005 13.630 1.00 0.00 C ATOM 801 C VAL A 59 -7.144 -3.241 13.190 1.00 0.00 C ATOM 802 O VAL A 59 -7.046 -2.236 12.486 1.00 0.00 O ATOM 803 CB VAL A 59 -5.740 -4.088 15.155 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.742 -5.187 15.538 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.300 -2.769 15.799 1.00 0.00 C ATOM 0 H VAL A 59 -4.685 -2.360 13.299 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.989 -5.033 13.280 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.733 -4.323 15.539 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.646 -5.229 16.623 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.099 -6.148 15.168 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.770 -4.966 15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.210 -2.903 16.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.336 -2.468 15.389 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.040 -1.997 15.589 1.00 0.00 H new ATOM 815 N GLY A 60 -8.330 -3.716 13.554 1.00 0.00 N ATOM 816 CA GLY A 60 -9.553 -2.966 13.321 1.00 0.00 C ATOM 817 C GLY A 60 -10.166 -3.301 11.971 1.00 0.00 C ATOM 818 O GLY A 60 -10.026 -4.414 11.471 1.00 0.00 O ATOM 0 H GLY A 60 -8.468 -4.617 14.011 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.271 -3.185 14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.341 -1.898 13.370 1.00 0.00 H new ATOM 822 N ARG A 61 -10.875 -2.326 11.415 1.00 0.00 N ATOM 823 CA ARG A 61 -11.622 -2.463 10.178 1.00 0.00 C ATOM 824 C ARG A 61 -10.641 -2.328 9.044 1.00 0.00 C ATOM 825 O ARG A 61 -9.609 -1.680 9.203 1.00 0.00 O ATOM 826 CB ARG A 61 -12.747 -1.419 10.150 1.00 0.00 C ATOM 827 CG ARG A 61 -13.409 -1.245 8.778 1.00 0.00 C ATOM 828 CD ARG A 61 -14.609 -0.297 8.885 1.00 0.00 C ATOM 829 NE ARG A 61 -14.811 0.440 7.623 1.00 0.00 N ATOM 830 CZ ARG A 61 -14.588 1.755 7.431 1.00 0.00 C ATOM 831 NH1 ARG A 61 -14.190 2.525 8.439 1.00 0.00 N ATOM 832 NH2 ARG A 61 -14.761 2.289 6.218 1.00 0.00 N ATOM 0 H ARG A 61 -10.946 -1.395 11.826 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.109 -3.434 10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.509 -1.703 10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.344 -0.458 10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.686 -0.849 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.734 -2.213 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.507 -0.866 9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.449 0.408 9.701 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.150 -0.094 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.051 2.121 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.023 3.520 8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.061 1.701 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.593 3.284 6.070 1.00 0.00 H new ATOM 846 N SER A 62 -10.938 -2.978 7.928 1.00 0.00 N ATOM 847 CA SER A 62 -9.952 -3.197 6.908 1.00 0.00 C ATOM 848 C SER A 62 -10.577 -3.201 5.525 1.00 0.00 C ATOM 849 O SER A 62 -11.797 -3.126 5.369 1.00 0.00 O ATOM 850 CB SER A 62 -9.241 -4.523 7.209 1.00 0.00 C ATOM 851 OG SER A 62 -10.185 -5.487 7.647 1.00 0.00 O ATOM 0 H SER A 62 -11.860 -3.360 7.716 1.00 0.00 H new ATOM 0 HA SER A 62 -9.228 -2.383 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.729 -4.882 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.480 -4.372 7.975 1.00 0.00 H new ATOM 0 HG SER A 62 -9.726 -6.332 7.836 1.00 0.00 H new ATOM 857 N THR A 63 -9.709 -3.283 4.529 1.00 0.00 N ATOM 858 CA THR A 63 -10.058 -3.744 3.196 1.00 0.00 C ATOM 859 C THR A 63 -8.816 -4.451 2.665 1.00 0.00 C ATOM 860 O THR A 63 -7.817 -4.549 3.381 1.00 0.00 O ATOM 861 CB THR A 63 -10.561 -2.593 2.306 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.961 -3.095 1.045 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.509 -1.503 2.086 1.00 0.00 C ATOM 0 H THR A 63 -8.727 -3.027 4.627 1.00 0.00 H new ATOM 0 HA THR A 63 -10.898 -4.438 3.206 1.00 0.00 H new ATOM 0 HB THR A 63 -11.403 -2.143 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.281 -2.357 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.924 -0.720 1.451 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.221 -1.076 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.633 -1.935 1.603 1.00 0.00 H new ATOM 871 N THR A 64 -8.844 -4.905 1.418 1.00 0.00 N ATOM 872 CA THR A 64 -7.646 -5.322 0.723 1.00 0.00 C ATOM 873 C THR A 64 -7.696 -4.698 -0.665 1.00 0.00 C ATOM 874 O THR A 64 -8.762 -4.641 -1.286 1.00 0.00 O ATOM 875 CB THR A 64 -7.464 -6.854 0.802 1.00 0.00 C ATOM 876 OG1 THR A 64 -6.096 -7.206 0.873 1.00 0.00 O ATOM 877 CG2 THR A 64 -8.124 -7.633 -0.335 1.00 0.00 C ATOM 0 H THR A 64 -9.698 -4.992 0.867 1.00 0.00 H new ATOM 0 HA THR A 64 -6.730 -4.960 1.191 1.00 0.00 H new ATOM 0 HB THR A 64 -7.978 -7.141 1.719 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.547 -6.447 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.945 -8.699 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.197 -7.442 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.702 -7.314 -1.288 1.00 0.00 H new ATOM 885 N MET A 65 -6.576 -4.119 -1.086 1.00 0.00 N ATOM 886 CA MET A 65 -6.452 -3.386 -2.338 1.00 0.00 C ATOM 887 C MET A 65 -5.318 -3.996 -3.156 1.00 0.00 C ATOM 888 O MET A 65 -4.308 -4.413 -2.593 1.00 0.00 O ATOM 889 CB MET A 65 -6.217 -1.899 -2.032 1.00 0.00 C ATOM 890 CG MET A 65 -6.310 -1.022 -3.290 1.00 0.00 C ATOM 891 SD MET A 65 -6.129 0.757 -2.997 1.00 0.00 S ATOM 892 CE MET A 65 -6.259 1.371 -4.688 1.00 0.00 C ATOM 0 H MET A 65 -5.708 -4.148 -0.551 1.00 0.00 H new ATOM 0 HA MET A 65 -7.366 -3.459 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.951 -1.561 -1.301 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.234 -1.775 -1.577 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.541 -1.339 -3.994 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.273 -1.200 -3.769 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.168 2.457 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.462 0.940 -5.294 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.226 1.088 -5.105 1.00 0.00 H new ATOM 902 N CYS A 66 -5.477 -4.034 -4.477 1.00 0.00 N ATOM 903 CA CYS A 66 -4.434 -4.450 -5.406 1.00 0.00 C ATOM 904 C CYS A 66 -4.078 -3.261 -6.270 1.00 0.00 C ATOM 905 O CYS A 66 -4.942 -2.432 -6.552 1.00 0.00 O ATOM 906 CB CYS A 66 -4.922 -5.560 -6.337 1.00 0.00 C ATOM 907 SG CYS A 66 -4.828 -7.243 -5.709 1.00 0.00 S ATOM 0 H CYS A 66 -6.349 -3.772 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.585 -4.817 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.959 -5.352 -6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.344 -5.509 -7.260 1.00 0.00 H new ATOM 912 N CYS A 67 -2.844 -3.196 -6.749 1.00 0.00 N ATOM 913 CA CYS A 67 -2.400 -2.179 -7.688 1.00 0.00 C ATOM 914 C CYS A 67 -1.432 -2.785 -8.701 1.00 0.00 C ATOM 915 O CYS A 67 -0.437 -3.381 -8.285 1.00 0.00 O ATOM 916 CB CYS A 67 -1.716 -1.070 -6.910 1.00 0.00 C ATOM 917 SG CYS A 67 -1.340 0.341 -7.968 1.00 0.00 S ATOM 0 H CYS A 67 -2.113 -3.859 -6.491 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.255 -1.778 -8.231 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.358 -0.750 -6.089 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.796 -1.449 -6.466 1.00 0.00 H new ATOM 922 N PRO A 68 -1.705 -2.711 -10.015 1.00 0.00 N ATOM 923 CA PRO A 68 -0.738 -3.098 -11.032 1.00 0.00 C ATOM 924 C PRO A 68 0.517 -2.243 -10.912 1.00 0.00 C ATOM 925 O PRO A 68 0.481 -1.192 -10.283 1.00 0.00 O ATOM 926 CB PRO A 68 -1.427 -2.864 -12.379 1.00 0.00 C ATOM 927 CG PRO A 68 -2.909 -2.921 -12.021 1.00 0.00 C ATOM 928 CD PRO A 68 -2.926 -2.248 -10.651 1.00 0.00 C ATOM 0 HA PRO A 68 -0.430 -4.138 -10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.153 -1.901 -12.811 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.158 -3.628 -13.108 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.525 -2.389 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.280 -3.945 -11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.942 -1.162 -10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.808 -2.534 -10.077 1.00 0.00 H new ATOM 936 N ALA A 69 1.613 -2.645 -11.550 1.00 0.00 N ATOM 937 CA ALA A 69 2.793 -1.793 -11.593 1.00 0.00 C ATOM 938 C ALA A 69 2.580 -0.629 -12.554 1.00 0.00 C ATOM 939 O ALA A 69 1.571 -0.572 -13.263 1.00 0.00 O ATOM 940 CB ALA A 69 4.027 -2.589 -11.993 1.00 0.00 C ATOM 0 H ALA A 69 1.707 -3.538 -12.035 1.00 0.00 H new ATOM 0 HA ALA A 69 2.955 -1.394 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.894 -1.929 -12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.197 -3.385 -11.268 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.875 -3.024 -12.981 1.00 0.00 H new ATOM 946 N ASN A 70 3.559 0.283 -12.597 1.00 0.00 N ATOM 947 CA ASN A 70 3.552 1.466 -13.453 1.00 0.00 C ATOM 948 C ASN A 70 2.206 2.172 -13.354 1.00 0.00 C ATOM 949 O ASN A 70 1.588 2.549 -14.347 1.00 0.00 O ATOM 950 CB ASN A 70 4.012 1.173 -14.891 1.00 0.00 C ATOM 951 CG ASN A 70 3.170 0.163 -15.661 1.00 0.00 C ATOM 952 OD1 ASN A 70 2.263 0.509 -16.411 1.00 0.00 O ATOM 953 ND2 ASN A 70 3.515 -1.116 -15.556 1.00 0.00 N ATOM 0 H ASN A 70 4.398 0.213 -12.021 1.00 0.00 H new ATOM 0 HA ASN A 70 4.305 2.163 -13.085 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.022 2.110 -15.448 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.040 0.811 -14.858 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.024 -1.823 -16.103 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.271 -1.390 -14.929 1.00 0.00 H new ATOM 960 N THR A 71 1.759 2.320 -12.112 1.00 0.00 N ATOM 961 CA THR A 71 0.503 2.904 -11.712 1.00 0.00 C ATOM 962 C THR A 71 0.814 3.667 -10.430 1.00 0.00 C ATOM 963 O THR A 71 1.602 3.198 -9.607 1.00 0.00 O ATOM 964 CB THR A 71 -0.501 1.764 -11.485 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.720 1.084 -12.714 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.837 2.224 -10.898 1.00 0.00 C ATOM 0 H THR A 71 2.309 2.011 -11.310 1.00 0.00 H new ATOM 0 HA THR A 71 0.065 3.575 -12.451 1.00 0.00 H new ATOM 0 HB THR A 71 -0.060 1.098 -10.743 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.053 0.516 -12.916 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.492 1.363 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.666 2.700 -9.933 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.306 2.937 -11.576 1.00 0.00 H new ATOM 974 N CYS A 72 0.240 4.852 -10.278 1.00 0.00 N ATOM 975 CA CYS A 72 0.237 5.571 -9.022 1.00 0.00 C ATOM 976 C CYS A 72 -1.153 5.363 -8.421 1.00 0.00 C ATOM 977 O CYS A 72 -2.160 5.767 -9.003 1.00 0.00 O ATOM 978 CB CYS A 72 0.542 7.038 -9.293 1.00 0.00 C ATOM 979 SG CYS A 72 -0.160 8.150 -8.078 1.00 0.00 S ATOM 0 H CYS A 72 -0.240 5.342 -11.033 1.00 0.00 H new ATOM 0 HA CYS A 72 0.994 5.217 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.623 7.177 -9.320 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.162 7.304 -10.279 1.00 0.00 H new ATOM 984 N CYS A 73 -1.203 4.658 -7.299 1.00 0.00 N ATOM 985 CA CYS A 73 -2.391 4.126 -6.650 1.00 0.00 C ATOM 986 C CYS A 73 -2.703 5.058 -5.486 1.00 0.00 C ATOM 987 O CYS A 73 -1.871 5.243 -4.599 1.00 0.00 O ATOM 988 CB CYS A 73 -2.163 2.690 -6.124 1.00 0.00 C ATOM 989 SG CYS A 73 -0.669 1.782 -6.619 1.00 0.00 S ATOM 0 H CYS A 73 -0.354 4.427 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.214 4.073 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.171 2.736 -5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.023 2.092 -6.424 1.00 0.00 H new ATOM 994 N ASN A 74 -3.887 5.656 -5.472 1.00 0.00 N ATOM 995 CA ASN A 74 -4.312 6.585 -4.437 1.00 0.00 C ATOM 996 C ASN A 74 -4.886 5.805 -3.259 1.00 0.00 C ATOM 997 O ASN A 74 -5.956 5.212 -3.373 1.00 0.00 O ATOM 998 CB ASN A 74 -5.394 7.501 -5.007 1.00 0.00 C ATOM 999 CG ASN A 74 -6.016 8.368 -3.924 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -7.123 8.104 -3.471 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -5.332 9.421 -3.501 1.00 0.00 N ATOM 0 H ASN A 74 -4.591 5.505 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.461 7.177 -4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.964 8.136 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.168 6.899 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.726 10.031 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.412 9.622 -3.892 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.200 5.803 -2.122 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.656 5.157 -0.905 1.00 0.00 C ATOM 1010 C ILE A 75 -5.661 6.101 -0.236 1.00 0.00 C ATOM 1011 O ILE A 75 -5.299 7.018 0.501 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.415 4.765 -0.070 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.868 3.412 -0.539 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.647 4.621 1.430 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.327 3.460 -1.959 1.00 0.00 C ATOM 0 H ILE A 75 -3.294 6.260 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.191 4.221 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.728 5.596 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.076 3.091 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.659 2.665 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.712 4.344 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.002 5.568 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.393 3.847 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.953 2.475 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.124 3.753 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.516 4.186 -2.015 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.948 5.915 -0.522 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.014 6.678 0.107 1.00 0.00 C ATOM 1029 C ASN A 76 -9.325 5.931 -0.101 1.00 0.00 C ATOM 1030 O ASN A 76 -10.150 6.339 -0.922 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.083 8.104 -0.465 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.941 9.023 0.393 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -8.422 9.968 0.983 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -10.243 8.778 0.478 1.00 0.00 N ATOM 0 H ASN A 76 -7.278 5.227 -1.199 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.818 6.778 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.076 8.514 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.488 8.070 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.840 9.381 1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.647 7.986 -0.023 1.00 0.00 H new ATOM 1041 N THR A 77 -9.536 4.846 0.645 1.00 0.00 N ATOM 1042 CA THR A 77 -10.701 3.983 0.435 1.00 0.00 C ATOM 1043 C THR A 77 -11.957 4.686 0.985 1.00 0.00 C ATOM 1044 O THR A 77 -13.071 4.197 0.822 1.00 0.00 O ATOM 1045 CB THR A 77 -10.439 2.617 1.118 1.00 0.00 C ATOM 1046 OG1 THR A 77 -10.318 1.574 0.161 1.00 0.00 O ATOM 1047 CG2 THR A 77 -11.489 2.129 2.125 1.00 0.00 C ATOM 0 H THR A 77 -8.918 4.544 1.398 1.00 0.00 H new ATOM 0 HA THR A 77 -10.869 3.798 -0.626 1.00 0.00 H new ATOM 0 HB THR A 77 -9.519 2.821 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.009 0.898 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.185 1.163 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.577 2.850 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.452 2.026 1.625 1.00 0.00 H new ATOM 1055 N GLY A 78 -11.787 5.832 1.651 1.00 0.00 N ATOM 1056 CA GLY A 78 -12.834 6.524 2.379 1.00 0.00 C ATOM 1057 C GLY A 78 -12.378 6.717 3.818 1.00 0.00 C ATOM 1058 O GLY A 78 -12.553 7.793 4.379 1.00 0.00 O ATOM 0 H GLY A 78 -10.888 6.311 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.043 7.488 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.759 5.949 2.349 1.00 0.00 H new ATOM 1062 N PHE A 79 -11.776 5.689 4.427 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.236 5.835 5.772 1.00 0.00 C ATOM 1064 C PHE A 79 -9.908 6.552 5.766 1.00 0.00 C ATOM 1065 O PHE A 79 -9.206 6.562 4.756 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.201 4.504 6.540 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.661 3.235 5.892 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -9.650 3.260 4.908 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.990 2.008 6.502 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -8.971 2.078 4.562 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.303 0.831 6.164 1.00 0.00 C ATOM 1072 CZ PHE A 79 -9.276 0.870 5.210 1.00 0.00 C ATOM 0 H PHE A 79 -11.654 4.764 4.014 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.926 6.472 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.617 4.673 7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.222 4.291 6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.397 4.189 4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.780 1.973 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.212 2.099 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -10.565 -0.103 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.721 -0.026 4.974 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.578 7.157 6.908 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.229 7.595 7.128 1.00 0.00 C ATOM 1084 C TYR A 80 -7.433 6.358 7.523 1.00 0.00 C ATOM 1085 O TYR A 80 -7.863 5.603 8.396 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.181 8.677 8.210 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.788 9.206 8.513 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -5.933 8.481 9.362 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.334 10.409 7.940 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.667 8.984 9.698 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.037 10.877 8.222 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.203 10.164 9.101 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.949 10.609 9.394 1.00 0.00 O ATOM 0 H TYR A 80 -10.225 7.346 7.674 1.00 0.00 H new ATOM 0 HA TYR A 80 -7.804 8.047 6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.813 9.510 7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.610 8.275 9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.254 7.529 9.759 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.981 10.973 7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.051 8.463 10.416 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.681 11.787 7.762 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.773 11.438 8.902 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.268 6.188 6.917 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.470 4.982 7.010 1.00 0.00 C ATOM 1105 C ILE A 81 -4.400 5.178 8.072 1.00 0.00 C ATOM 1106 O ILE A 81 -3.863 6.277 8.194 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.821 4.637 5.661 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.547 5.868 4.785 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.647 3.575 4.929 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -5.756 6.294 3.951 1.00 0.00 C ATOM 0 H ILE A 81 -5.843 6.907 6.332 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.119 4.151 7.285 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.837 4.219 5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.242 6.698 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.711 5.653 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.175 3.341 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.701 2.673 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.653 3.955 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.497 7.169 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.048 5.478 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.586 6.539 4.613 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.080 4.124 8.822 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.943 4.132 9.741 1.00 0.00 C ATOM 1124 C ARG A 82 -1.994 2.974 9.502 1.00 0.00 C ATOM 1125 O ARG A 82 -0.828 3.071 9.879 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.410 4.093 11.193 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.152 5.379 11.537 1.00 0.00 C ATOM 1128 CD ARG A 82 -5.637 5.098 11.734 1.00 0.00 C ATOM 1129 NE ARG A 82 -6.428 6.316 11.958 1.00 0.00 N ATOM 1130 CZ ARG A 82 -7.758 6.368 11.775 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -8.436 5.248 11.523 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -8.397 7.539 11.843 1.00 0.00 N ATOM 0 H ARG A 82 -4.598 3.246 8.810 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.408 5.062 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.062 3.234 11.351 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.554 3.969 11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.734 5.816 12.444 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.016 6.109 10.739 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.022 4.578 10.857 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.764 4.427 12.584 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.946 7.160 12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.945 4.356 11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.446 5.284 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.875 8.394 12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.407 7.578 11.704 1.00 0.00 H new ATOM 1146 N SER A 83 -2.487 1.871 8.947 1.00 0.00 N ATOM 1147 CA SER A 83 -1.631 0.715 8.677 1.00 0.00 C ATOM 1148 C SER A 83 -2.032 -0.074 7.428 1.00 0.00 C ATOM 1149 O SER A 83 -3.160 0.045 6.951 1.00 0.00 O ATOM 1150 CB SER A 83 -1.617 -0.226 9.884 1.00 0.00 C ATOM 1151 OG SER A 83 -1.920 0.436 11.102 1.00 0.00 O ATOM 0 H SER A 83 -3.463 1.751 8.677 1.00 0.00 H new ATOM 0 HA SER A 83 -0.636 1.119 8.490 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.338 -1.027 9.722 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.635 -0.692 9.964 1.00 0.00 H new ATOM 0 HG SER A 83 -2.890 0.438 11.241 1.00 0.00 H new ATOM 1157 N TYR A 84 -1.130 -0.936 6.958 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.369 -1.922 5.914 1.00 0.00 C ATOM 1159 C TYR A 84 -0.332 -3.047 6.012 1.00 0.00 C ATOM 1160 O TYR A 84 0.522 -3.013 6.898 1.00 0.00 O ATOM 1161 CB TYR A 84 -1.399 -1.276 4.517 1.00 0.00 C ATOM 1162 CG TYR A 84 -0.073 -0.854 3.904 1.00 0.00 C ATOM 1163 CD1 TYR A 84 0.863 -0.101 4.635 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.215 -1.189 2.567 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.109 0.214 4.072 1.00 0.00 C ATOM 1166 CE2 TYR A 84 1.474 -0.899 2.016 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.437 -0.225 2.781 1.00 0.00 C ATOM 1168 OH TYR A 84 3.677 -0.012 2.254 1.00 0.00 O ATOM 0 H TYR A 84 -0.174 -0.964 7.312 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.356 -2.359 6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.876 -1.978 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.040 -0.396 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.622 0.236 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.537 -1.672 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.820 0.798 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.701 -1.195 1.002 1.00 0.00 H new ATOM 0 HH TYR A 84 4.359 -0.293 2.899 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.427 -4.036 5.123 1.00 0.00 N ATOM 1179 CA ARG A 85 0.507 -5.145 4.960 1.00 0.00 C ATOM 1180 C ARG A 85 0.490 -5.523 3.476 1.00 0.00 C ATOM 1181 O ARG A 85 -0.587 -5.849 2.981 1.00 0.00 O ATOM 1182 CB ARG A 85 -0.064 -6.304 5.791 1.00 0.00 C ATOM 1183 CG ARG A 85 0.707 -7.627 5.772 1.00 0.00 C ATOM 1184 CD ARG A 85 -0.308 -8.765 5.902 1.00 0.00 C ATOM 1185 NE ARG A 85 0.292 -10.045 6.325 1.00 0.00 N ATOM 1186 CZ ARG A 85 -0.401 -11.164 6.612 1.00 0.00 C ATOM 1187 NH1 ARG A 85 -1.703 -11.251 6.338 1.00 0.00 N ATOM 1188 NH2 ARG A 85 0.214 -12.196 7.192 1.00 0.00 N ATOM 0 H ARG A 85 -1.202 -4.085 4.461 1.00 0.00 H new ATOM 0 HA ARG A 85 1.523 -4.905 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.139 -5.972 6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.079 -6.500 5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.274 -7.725 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.426 -7.661 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.074 -8.477 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.808 -8.906 4.944 1.00 0.00 H new ATOM 0 HE ARG A 85 1.308 -10.086 6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.187 -10.464 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.215 -12.105 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.207 -12.137 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.309 -13.044 7.410 1.00 0.00 H new ATOM 1202 N ARG A 86 1.621 -5.530 2.761 1.00 0.00 N ATOM 1203 CA ARG A 86 1.663 -6.086 1.406 1.00 0.00 C ATOM 1204 C ARG A 86 1.657 -7.612 1.506 1.00 0.00 C ATOM 1205 O ARG A 86 2.334 -8.167 2.375 1.00 0.00 O ATOM 1206 CB ARG A 86 2.877 -5.556 0.628 1.00 0.00 C ATOM 1207 CG ARG A 86 3.117 -6.228 -0.735 1.00 0.00 C ATOM 1208 CD ARG A 86 4.592 -6.136 -1.152 1.00 0.00 C ATOM 1209 NE ARG A 86 4.837 -6.991 -2.324 1.00 0.00 N ATOM 1210 CZ ARG A 86 6.022 -7.507 -2.676 1.00 0.00 C ATOM 1211 NH1 ARG A 86 7.136 -7.002 -2.147 1.00 0.00 N ATOM 1212 NH2 ARG A 86 6.070 -8.547 -3.507 1.00 0.00 N ATOM 0 H ARG A 86 2.511 -5.160 3.095 1.00 0.00 H new ATOM 0 HA ARG A 86 0.784 -5.769 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.750 -4.485 0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.768 -5.685 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.816 -7.274 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.493 -5.753 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.849 -5.103 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.232 -6.445 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 86 4.037 -7.209 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.081 -6.231 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.044 -7.387 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.206 -8.948 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.970 -8.943 -3.777 1.00 0.00 H new ATOM 1226 N VAL A 87 0.905 -8.273 0.622 1.00 0.00 N ATOM 1227 CA VAL A 87 0.707 -9.715 0.639 1.00 0.00 C ATOM 1228 C VAL A 87 1.401 -10.447 -0.515 1.00 0.00 C ATOM 1229 O VAL A 87 1.864 -11.565 -0.289 1.00 0.00 O ATOM 1230 CB VAL A 87 -0.786 -10.068 0.760 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -1.325 -9.633 2.127 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -1.664 -9.451 -0.333 1.00 0.00 C ATOM 0 H VAL A 87 0.409 -7.807 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 87 1.205 -10.086 1.535 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.839 -11.150 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.382 -9.889 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.773 -10.145 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.204 -8.556 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.701 -9.747 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.587 -8.365 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.330 -9.802 -1.309 1.00 0.00 H new ATOM 1242 N GLU A 88 1.477 -9.866 -1.717 1.00 0.00 N ATOM 1243 CA GLU A 88 2.020 -10.531 -2.896 1.00 0.00 C ATOM 1244 C GLU A 88 2.903 -9.573 -3.696 1.00 0.00 C ATOM 1245 CB GLU A 88 0.889 -11.088 -3.762 1.00 0.00 C ATOM 1246 CG GLU A 88 -0.092 -10.034 -4.270 1.00 0.00 C ATOM 1247 CD GLU A 88 -1.207 -10.704 -5.031 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -0.918 -11.407 -6.023 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -2.376 -10.571 -4.613 1.00 0.00 O ATOM 0 H GLU A 88 1.160 -8.913 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 88 2.641 -11.366 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.323 -11.605 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.339 -11.832 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.499 -9.468 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.425 -9.322 -4.914 1.00 0.00 H new TER 1256 GLU A 88