USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.6) USER MOD Set 1.2: A 59 MET CE :methyl 157:sc= -0.287 (180deg=-0.721) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0.873 (180deg=0.155!) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 1.29 (180deg=1.13) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -87:sc= 0.249 USER MOD Single : A 35 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 1.22 (180deg=1.17) USER MOD Single : A 40 MET CE :methyl 157:sc=-0.00314 (180deg=-0.296) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -56:sc= -0.247 USER MOD Single : A 43 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-7.9!) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.52 (180deg=0.509) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 2.46 (180deg=2.25) USER MOD Single : A 50 SER OG : rot 70:sc= 1.29 USER MOD Single : A 51 TYR OH : rot -140:sc= -0.0137 USER MOD Single : A 52 CYS SG : rot 55:sc= -0.26 USER MOD Single : A 53 GLN : amide:sc= -1.77! C(o=-1.8!,f=-4.6!) USER MOD Single : A 55 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 60 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.04) USER MOD Single : A 61 SER OG : rot -79:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 75 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-5.4!) USER MOD Single : A 76 THR OG1 : rot -36:sc= 0.481 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 58:sc= 1.24 USER MOD Single : A 92 GLN : amide:sc= 0.0552 X(o=0.055,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.078 USER MOD Single : B 357 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.042) USER MOD Single : B 358 ASN : amide:sc= -0.146 K(o=-0.15,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.154 6.923 9.562 1.00 10.00 N ATOM 2 CA TYR A 21 2.486 5.776 8.691 1.00 10.00 C ATOM 3 C TYR A 21 1.213 5.158 8.140 1.00 10.00 C ATOM 4 O TYR A 21 0.217 5.049 8.849 1.00 10.00 O ATOM 5 CB TYR A 21 3.278 4.720 9.466 1.00 10.00 C ATOM 6 CG TYR A 21 4.636 5.200 9.925 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.611 5.568 9.005 1.00 10.00 C ATOM 8 CD2 TYR A 21 4.945 5.283 11.275 1.00 10.00 C ATOM 9 CE1 TYR A 21 6.852 6.008 9.419 1.00 10.00 C ATOM 10 CE2 TYR A 21 6.185 5.724 11.699 1.00 10.00 C ATOM 11 CZ TYR A 21 7.136 6.083 10.766 1.00 10.00 C ATOM 12 OH TYR A 21 8.373 6.522 11.183 1.00 10.00 O ATOM 0 HA TYR A 21 3.100 6.137 7.866 1.00 10.00 H new ATOM 0 HB2 TYR A 21 2.699 4.409 10.335 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.407 3.839 8.837 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.394 5.509 7.949 1.00 10.00 H new ATOM 0 HD2 TYR A 21 4.204 4.998 12.007 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.597 6.292 8.691 1.00 10.00 H new ATOM 0 HE2 TYR A 21 6.408 5.787 12.754 1.00 10.00 H new ATOM 0 HH TYR A 21 8.409 6.516 12.162 1.00 10.00 H new ATOM 22 N ILE A 22 1.252 4.761 6.882 1.00 10.00 N ATOM 23 CA ILE A 22 0.103 4.152 6.236 1.00 10.00 C ATOM 24 C ILE A 22 0.449 2.736 5.799 1.00 10.00 C ATOM 25 O ILE A 22 1.303 2.532 4.938 1.00 10.00 O ATOM 26 CB ILE A 22 -0.363 4.979 5.014 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.866 6.358 5.459 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.445 4.240 4.238 1.00 10.00 C ATOM 29 CD1 ILE A 22 -2.027 6.303 6.435 1.00 10.00 C ATOM 0 H ILE A 22 2.073 4.850 6.283 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.715 4.125 6.956 1.00 10.00 H new ATOM 0 HB ILE A 22 0.492 5.119 4.353 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.042 6.903 5.920 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -1.170 6.924 4.579 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.756 4.842 3.384 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.053 3.286 3.886 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.302 4.063 4.888 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.326 7.317 6.702 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.868 5.787 5.971 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.722 5.766 7.333 1.00 10.00 H new ATOM 41 N LYS A 23 -0.190 1.763 6.417 1.00 10.00 N ATOM 42 CA LYS A 23 0.055 0.371 6.089 1.00 10.00 C ATOM 43 C LYS A 23 -0.998 -0.123 5.103 1.00 10.00 C ATOM 44 O LYS A 23 -2.177 -0.244 5.444 1.00 10.00 O ATOM 45 CB LYS A 23 0.049 -0.476 7.359 1.00 10.00 C ATOM 46 CG LYS A 23 0.579 -1.885 7.167 1.00 10.00 C ATOM 47 CD LYS A 23 0.102 -2.808 8.275 1.00 10.00 C ATOM 48 CE LYS A 23 -1.352 -3.204 8.084 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.285 -2.328 8.844 1.00 10.00 N ATOM 0 H LYS A 23 -0.884 1.910 7.150 1.00 10.00 H new ATOM 0 HA LYS A 23 1.036 0.280 5.622 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.647 0.025 8.120 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.970 -0.532 7.741 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.251 -2.271 6.202 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.669 -1.867 7.149 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.724 -3.703 8.297 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.222 -2.313 9.239 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.601 -3.161 7.024 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.489 -4.238 8.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.222 -2.777 8.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.920 -2.185 9.807 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.366 -1.409 8.365 1.00 10.00 H new ATOM 63 N LEU A 24 -0.565 -0.394 3.882 1.00 10.00 N ATOM 64 CA LEU A 24 -1.461 -0.864 2.837 1.00 10.00 C ATOM 65 C LEU A 24 -1.458 -2.386 2.780 1.00 10.00 C ATOM 66 O LEU A 24 -0.460 -3.029 3.118 1.00 10.00 O ATOM 67 CB LEU A 24 -1.034 -0.295 1.483 1.00 10.00 C ATOM 68 CG LEU A 24 -0.969 1.233 1.410 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.188 1.675 0.182 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.371 1.825 1.392 1.00 10.00 C ATOM 0 H LEU A 24 0.407 -0.296 3.589 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.470 -0.522 3.067 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.053 -0.697 1.231 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.729 -0.650 0.722 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.452 1.599 2.297 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.152 2.764 0.146 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.827 1.280 0.234 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.678 1.299 -0.716 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.306 2.912 1.340 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.912 1.452 0.523 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.900 1.536 2.300 1.00 10.00 H new ATOM 82 N LYS A 25 -2.576 -2.956 2.357 1.00 10.00 N ATOM 83 CA LYS A 25 -2.702 -4.398 2.245 1.00 10.00 C ATOM 84 C LYS A 25 -2.766 -4.810 0.781 1.00 10.00 C ATOM 85 O LYS A 25 -3.765 -4.568 0.098 1.00 10.00 O ATOM 86 CB LYS A 25 -3.948 -4.903 2.982 1.00 10.00 C ATOM 87 CG LYS A 25 -3.848 -4.808 4.497 1.00 10.00 C ATOM 88 CD LYS A 25 -4.937 -5.622 5.182 1.00 10.00 C ATOM 89 CE LYS A 25 -4.641 -7.116 5.129 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.793 -7.933 5.598 1.00 10.00 N ATOM 0 H LYS A 25 -3.411 -2.438 2.085 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.823 -4.848 2.707 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.813 -4.330 2.648 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.127 -5.942 2.704 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -2.870 -5.163 4.821 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.926 -3.765 4.803 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.029 -5.306 6.221 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.896 -5.424 4.703 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.389 -7.399 4.107 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.768 -7.334 5.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.810 -8.837 5.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -5.697 -8.116 6.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.679 -7.418 5.421 1.00 10.00 H new ATOM 104 N VAL A 26 -1.687 -5.408 0.299 1.00 10.00 N ATOM 105 CA VAL A 26 -1.625 -5.862 -1.081 1.00 10.00 C ATOM 106 C VAL A 26 -2.153 -7.285 -1.174 1.00 10.00 C ATOM 107 O VAL A 26 -1.696 -8.173 -0.451 1.00 10.00 O ATOM 108 CB VAL A 26 -0.190 -5.814 -1.645 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.210 -5.867 -3.165 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.545 -4.574 -1.158 1.00 10.00 C ATOM 0 H VAL A 26 -0.843 -5.590 0.843 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.241 -5.187 -1.676 1.00 10.00 H new ATOM 0 HB VAL A 26 0.348 -6.689 -1.279 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.811 -5.832 -3.544 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.686 -6.792 -3.491 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.770 -5.015 -3.551 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.554 -4.564 -1.570 1.00 10.00 H new ATOM 0 HG22 VAL A 26 0.011 -3.682 -1.485 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.597 -4.586 -0.069 1.00 10.00 H new ATOM 120 N ILE A 27 -3.119 -7.496 -2.049 1.00 10.00 N ATOM 121 CA ILE A 27 -3.718 -8.807 -2.223 1.00 10.00 C ATOM 122 C ILE A 27 -3.034 -9.580 -3.340 1.00 10.00 C ATOM 123 O ILE A 27 -3.061 -9.172 -4.503 1.00 10.00 O ATOM 124 CB ILE A 27 -5.227 -8.695 -2.525 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.945 -7.943 -1.400 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.842 -10.074 -2.729 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.826 -8.603 -0.038 1.00 10.00 C ATOM 0 H ILE A 27 -3.507 -6.772 -2.653 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.584 -9.347 -1.286 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.350 -8.130 -3.449 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.542 -6.932 -1.338 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.001 -7.850 -1.656 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.906 -9.970 -2.941 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.352 -10.570 -3.567 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.708 -10.669 -1.826 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.361 -8.008 0.702 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.256 -9.604 -0.080 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.775 -8.671 0.243 1.00 10.00 H new ATOM 139 N GLY A 28 -2.403 -10.685 -2.971 1.00 10.00 N ATOM 140 CA GLY A 28 -1.735 -11.519 -3.945 1.00 10.00 C ATOM 141 C GLY A 28 -2.679 -12.553 -4.522 1.00 10.00 C ATOM 142 O GLY A 28 -3.572 -13.042 -3.825 1.00 10.00 O ATOM 0 H GLY A 28 -2.342 -11.019 -2.009 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.338 -10.898 -4.748 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.886 -12.018 -3.478 1.00 10.00 H new ATOM 146 N GLN A 29 -2.477 -12.896 -5.788 1.00 10.00 N ATOM 147 CA GLN A 29 -3.326 -13.869 -6.475 1.00 10.00 C ATOM 148 C GLN A 29 -3.212 -15.266 -5.851 1.00 10.00 C ATOM 149 O GLN A 29 -4.105 -16.103 -6.009 1.00 10.00 O ATOM 150 CB GLN A 29 -2.951 -13.925 -7.958 1.00 10.00 C ATOM 151 CG GLN A 29 -3.969 -14.652 -8.825 1.00 10.00 C ATOM 152 CD GLN A 29 -5.139 -13.775 -9.226 1.00 10.00 C ATOM 153 OE1 GLN A 29 -5.119 -13.137 -10.276 1.00 10.00 O ATOM 154 NE2 GLN A 29 -6.174 -13.748 -8.400 1.00 10.00 N ATOM 0 H GLN A 29 -1.728 -12.513 -6.365 1.00 10.00 H new ATOM 0 HA GLN A 29 -4.361 -13.545 -6.369 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -2.831 -12.908 -8.331 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.984 -14.418 -8.060 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -3.475 -15.022 -9.723 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -4.342 -15.522 -8.285 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.152 -14.292 -7.537 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.993 -13.183 -8.627 1.00 10.00 H new ATOM 163 N ASP A 30 -2.121 -15.509 -5.136 1.00 10.00 N ATOM 164 CA ASP A 30 -1.891 -16.805 -4.498 1.00 10.00 C ATOM 165 C ASP A 30 -2.351 -16.788 -3.041 1.00 10.00 C ATOM 166 O ASP A 30 -1.828 -17.531 -2.202 1.00 10.00 O ATOM 167 CB ASP A 30 -0.408 -17.191 -4.587 1.00 10.00 C ATOM 168 CG ASP A 30 0.492 -16.343 -3.705 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.242 -15.126 -3.577 1.00 10.00 O ATOM 170 OD2 ASP A 30 1.471 -16.890 -3.151 1.00 10.00 O ATOM 0 H ASP A 30 -1.379 -14.827 -4.981 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.479 -17.553 -5.030 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.296 -18.238 -4.307 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.079 -17.101 -5.622 1.00 10.00 H new ATOM 175 N SER A 31 -3.343 -15.943 -2.758 1.00 10.00 N ATOM 176 CA SER A 31 -3.902 -15.806 -1.418 1.00 10.00 C ATOM 177 C SER A 31 -2.838 -15.342 -0.429 1.00 10.00 C ATOM 178 O SER A 31 -2.433 -16.076 0.476 1.00 10.00 O ATOM 179 CB SER A 31 -4.534 -17.124 -0.961 1.00 10.00 C ATOM 180 OG SER A 31 -5.390 -17.651 -1.965 1.00 10.00 O ATOM 0 H SER A 31 -3.779 -15.336 -3.452 1.00 10.00 H new ATOM 0 HA SER A 31 -4.683 -15.046 -1.451 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.751 -17.846 -0.729 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.100 -16.962 -0.044 1.00 10.00 H new ATOM 0 HG SER A 31 -5.781 -18.493 -1.652 1.00 10.00 H new ATOM 186 N SER A 32 -2.374 -14.121 -0.624 1.00 10.00 N ATOM 187 CA SER A 32 -1.368 -13.540 0.238 1.00 10.00 C ATOM 188 C SER A 32 -1.729 -12.098 0.565 1.00 10.00 C ATOM 189 O SER A 32 -2.312 -11.394 -0.263 1.00 10.00 O ATOM 190 CB SER A 32 0.002 -13.607 -0.438 1.00 10.00 C ATOM 191 OG SER A 32 -0.091 -13.248 -1.807 1.00 10.00 O ATOM 0 H SER A 32 -2.683 -13.510 -1.380 1.00 10.00 H new ATOM 0 HA SER A 32 -1.327 -14.107 1.168 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.696 -12.938 0.071 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.407 -14.615 -0.349 1.00 10.00 H new ATOM 0 HG SER A 32 -0.313 -14.041 -2.339 1.00 10.00 H new ATOM 197 N GLU A 33 -1.413 -11.676 1.779 1.00 10.00 N ATOM 198 CA GLU A 33 -1.691 -10.318 2.209 1.00 10.00 C ATOM 199 C GLU A 33 -0.381 -9.625 2.550 1.00 10.00 C ATOM 200 O GLU A 33 0.225 -9.892 3.592 1.00 10.00 O ATOM 201 CB GLU A 33 -2.625 -10.315 3.423 1.00 10.00 C ATOM 202 CG GLU A 33 -3.876 -11.158 3.230 1.00 10.00 C ATOM 203 CD GLU A 33 -4.606 -11.423 4.530 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.507 -12.555 5.051 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.289 -10.504 5.032 1.00 10.00 O ATOM 0 H GLU A 33 -0.962 -12.258 2.485 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.188 -9.782 1.401 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.079 -10.683 4.292 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.919 -9.289 3.642 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.548 -10.651 2.537 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.602 -12.108 2.771 1.00 10.00 H new ATOM 212 N ILE A 34 0.069 -8.760 1.659 1.00 10.00 N ATOM 213 CA ILE A 34 1.316 -8.043 1.863 1.00 10.00 C ATOM 214 C ILE A 34 1.060 -6.749 2.623 1.00 10.00 C ATOM 215 O ILE A 34 0.311 -5.888 2.160 1.00 10.00 O ATOM 216 CB ILE A 34 2.019 -7.710 0.529 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.844 -8.842 -0.495 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.495 -7.435 0.770 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.433 -10.170 -0.061 1.00 10.00 C ATOM 0 H ILE A 34 -0.410 -8.537 0.787 1.00 10.00 H new ATOM 0 HA ILE A 34 1.969 -8.697 2.440 1.00 10.00 H new ATOM 0 HB ILE A 34 1.553 -6.815 0.116 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.781 -8.976 -0.693 1.00 10.00 H new ATOM 0 HG13 ILE A 34 2.308 -8.542 -1.435 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.981 -7.201 -0.177 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.601 -6.590 1.451 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.962 -8.316 1.210 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.266 -10.914 -0.840 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.504 -10.055 0.108 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.953 -10.497 0.861 1.00 10.00 H new ATOM 231 N HIS A 35 1.674 -6.618 3.788 1.00 10.00 N ATOM 232 CA HIS A 35 1.514 -5.431 4.614 1.00 10.00 C ATOM 233 C HIS A 35 2.676 -4.480 4.367 1.00 10.00 C ATOM 234 O HIS A 35 3.758 -4.634 4.942 1.00 10.00 O ATOM 235 CB HIS A 35 1.444 -5.801 6.103 1.00 10.00 C ATOM 236 CG HIS A 35 0.293 -6.697 6.472 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.510 -6.430 7.556 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.136 -7.839 5.881 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.400 -7.406 7.598 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.212 -8.282 6.604 1.00 10.00 N ATOM 0 H HIS A 35 2.293 -7.325 4.186 1.00 10.00 H new ATOM 0 HA HIS A 35 0.578 -4.943 4.343 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.375 -6.292 6.386 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.376 -4.884 6.689 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.289 -8.310 5.007 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -2.180 -7.486 8.340 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -1.764 -9.120 6.420 1.00 10.00 H new ATOM 248 N PHE A 36 2.459 -3.510 3.497 1.00 10.00 N ATOM 249 CA PHE A 36 3.490 -2.542 3.166 1.00 10.00 C ATOM 250 C PHE A 36 3.302 -1.269 3.977 1.00 10.00 C ATOM 251 O PHE A 36 2.317 -0.551 3.802 1.00 10.00 O ATOM 252 CB PHE A 36 3.470 -2.222 1.667 1.00 10.00 C ATOM 253 CG PHE A 36 4.835 -2.202 1.037 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.921 -1.682 1.719 1.00 10.00 C ATOM 255 CD2 PHE A 36 5.030 -2.708 -0.238 1.00 10.00 C ATOM 256 CE1 PHE A 36 7.176 -1.666 1.142 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.282 -2.693 -0.821 1.00 10.00 C ATOM 258 CZ PHE A 36 7.356 -2.174 -0.130 1.00 10.00 C ATOM 0 H PHE A 36 1.576 -3.371 3.006 1.00 10.00 H new ATOM 0 HA PHE A 36 4.459 -2.976 3.414 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.853 -2.961 1.155 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.996 -1.252 1.517 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.786 -1.284 2.714 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.193 -3.119 -0.783 1.00 10.00 H new ATOM 0 HE1 PHE A 36 8.015 -1.257 1.685 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.419 -3.087 -1.817 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.337 -2.165 -0.582 1.00 10.00 H new ATOM 268 N LYS A 37 4.239 -1.005 4.875 1.00 10.00 N ATOM 269 CA LYS A 37 4.180 0.183 5.713 1.00 10.00 C ATOM 270 C LYS A 37 4.825 1.359 4.994 1.00 10.00 C ATOM 271 O LYS A 37 6.049 1.449 4.917 1.00 10.00 O ATOM 272 CB LYS A 37 4.892 -0.065 7.044 1.00 10.00 C ATOM 273 CG LYS A 37 4.486 0.906 8.144 1.00 10.00 C ATOM 274 CD LYS A 37 5.552 1.019 9.225 1.00 10.00 C ATOM 275 CE LYS A 37 5.916 -0.337 9.811 1.00 10.00 C ATOM 276 NZ LYS A 37 6.672 -0.207 11.085 1.00 10.00 N ATOM 0 H LYS A 37 5.051 -1.599 5.042 1.00 10.00 H new ATOM 0 HA LYS A 37 3.134 0.415 5.914 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.683 -1.083 7.374 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.969 0.005 6.889 1.00 10.00 H new ATOM 0 HG2 LYS A 37 4.303 1.889 7.711 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.549 0.576 8.592 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.444 1.484 8.807 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.194 1.673 10.020 1.00 10.00 H new ATOM 0 HE2 LYS A 37 5.007 -0.913 9.986 1.00 10.00 H new ATOM 0 HE3 LYS A 37 6.513 -0.895 9.090 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 6.901 -1.153 11.451 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 7.552 0.320 10.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 6.093 0.303 11.782 1.00 10.00 H new ATOM 290 N VAL A 38 4.004 2.251 4.462 1.00 10.00 N ATOM 291 CA VAL A 38 4.503 3.409 3.741 1.00 10.00 C ATOM 292 C VAL A 38 4.289 4.685 4.555 1.00 10.00 C ATOM 293 O VAL A 38 3.650 4.662 5.609 1.00 10.00 O ATOM 294 CB VAL A 38 3.820 3.551 2.357 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.734 2.200 1.660 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.435 4.174 2.480 1.00 10.00 C ATOM 0 H VAL A 38 2.987 2.194 4.517 1.00 10.00 H new ATOM 0 HA VAL A 38 5.571 3.260 3.584 1.00 10.00 H new ATOM 0 HB VAL A 38 4.435 4.218 1.753 1.00 10.00 H new ATOM 0 HG11 VAL A 38 3.251 2.321 0.690 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.738 1.799 1.518 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.151 1.511 2.272 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.985 4.259 1.491 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.808 3.545 3.111 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.520 5.165 2.926 1.00 10.00 H new ATOM 306 N LYS A 39 4.827 5.792 4.070 1.00 10.00 N ATOM 307 CA LYS A 39 4.674 7.067 4.748 1.00 10.00 C ATOM 308 C LYS A 39 4.013 8.063 3.804 1.00 10.00 C ATOM 309 O LYS A 39 4.341 8.110 2.617 1.00 10.00 O ATOM 310 CB LYS A 39 6.030 7.604 5.224 1.00 10.00 C ATOM 311 CG LYS A 39 5.919 8.561 6.403 1.00 10.00 C ATOM 312 CD LYS A 39 7.119 9.493 6.497 1.00 10.00 C ATOM 313 CE LYS A 39 8.374 8.774 6.971 1.00 10.00 C ATOM 314 NZ LYS A 39 9.534 9.703 7.067 1.00 10.00 N ATOM 0 H LYS A 39 5.373 5.833 3.210 1.00 10.00 H new ATOM 0 HA LYS A 39 4.045 6.924 5.627 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.667 6.765 5.505 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.522 8.114 4.396 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.008 9.152 6.306 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.831 7.989 7.327 1.00 10.00 H new ATOM 0 HD2 LYS A 39 7.306 9.940 5.521 1.00 10.00 H new ATOM 0 HD3 LYS A 39 6.890 10.309 7.183 1.00 10.00 H new ATOM 0 HE2 LYS A 39 8.189 8.321 7.945 1.00 10.00 H new ATOM 0 HE3 LYS A 39 8.612 7.964 6.282 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 10.210 9.342 7.770 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 10.001 9.772 6.140 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.202 10.644 7.358 1.00 10.00 H new ATOM 328 N MET A 40 3.074 8.841 4.324 1.00 10.00 N ATOM 329 CA MET A 40 2.369 9.829 3.517 1.00 10.00 C ATOM 330 C MET A 40 3.274 11.025 3.219 1.00 10.00 C ATOM 331 O MET A 40 3.182 12.070 3.872 1.00 10.00 O ATOM 332 CB MET A 40 1.090 10.287 4.229 1.00 10.00 C ATOM 333 CG MET A 40 0.249 11.261 3.416 1.00 10.00 C ATOM 334 SD MET A 40 -0.366 10.535 1.884 1.00 10.00 S ATOM 335 CE MET A 40 -1.593 9.391 2.518 1.00 10.00 C ATOM 0 H MET A 40 2.782 8.808 5.301 1.00 10.00 H new ATOM 0 HA MET A 40 2.091 9.366 2.570 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.486 9.412 4.469 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.360 10.757 5.175 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.595 11.598 4.019 1.00 10.00 H new ATOM 0 HG3 MET A 40 0.845 12.143 3.182 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.325 9.175 1.740 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.104 8.466 2.824 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.096 9.836 3.376 1.00 10.00 H new ATOM 345 N THR A 41 4.163 10.841 2.245 1.00 10.00 N ATOM 346 CA THR A 41 5.105 11.873 1.828 1.00 10.00 C ATOM 347 C THR A 41 6.081 11.307 0.797 1.00 10.00 C ATOM 348 O THR A 41 6.619 12.041 -0.033 1.00 10.00 O ATOM 349 CB THR A 41 5.900 12.451 3.029 1.00 10.00 C ATOM 350 OG1 THR A 41 6.690 13.579 2.618 1.00 10.00 O ATOM 351 CG2 THR A 41 6.803 11.398 3.651 1.00 10.00 C ATOM 0 H THR A 41 4.249 9.969 1.723 1.00 10.00 H new ATOM 0 HA THR A 41 4.525 12.683 1.386 1.00 10.00 H new ATOM 0 HB THR A 41 5.175 12.773 3.776 1.00 10.00 H new ATOM 0 HG1 THR A 41 7.183 13.931 3.388 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.346 11.834 4.489 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.198 10.563 4.005 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.513 11.041 2.905 1.00 10.00 H new ATOM 359 N THR A 42 6.297 9.998 0.854 1.00 10.00 N ATOM 360 CA THR A 42 7.210 9.326 -0.056 1.00 10.00 C ATOM 361 C THR A 42 6.541 9.021 -1.391 1.00 10.00 C ATOM 362 O THR A 42 5.322 8.854 -1.467 1.00 10.00 O ATOM 363 CB THR A 42 7.710 8.016 0.570 1.00 10.00 C ATOM 364 OG1 THR A 42 7.732 8.154 1.996 1.00 10.00 O ATOM 365 CG2 THR A 42 9.102 7.660 0.066 1.00 10.00 C ATOM 0 H THR A 42 5.847 9.379 1.528 1.00 10.00 H new ATOM 0 HA THR A 42 8.051 9.996 -0.235 1.00 10.00 H new ATOM 0 HB THR A 42 7.032 7.213 0.282 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.277 8.930 2.241 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.429 6.728 0.527 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.077 7.540 -1.017 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.798 8.457 0.327 1.00 10.00 H new ATOM 373 N HIS A 43 7.347 8.964 -2.440 1.00 10.00 N ATOM 374 CA HIS A 43 6.855 8.666 -3.775 1.00 10.00 C ATOM 375 C HIS A 43 6.577 7.171 -3.910 1.00 10.00 C ATOM 376 O HIS A 43 7.286 6.344 -3.331 1.00 10.00 O ATOM 377 CB HIS A 43 7.858 9.128 -4.847 1.00 10.00 C ATOM 378 CG HIS A 43 9.300 8.831 -4.528 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.897 7.663 -4.934 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.208 9.576 -3.844 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.145 7.727 -4.498 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.380 8.861 -3.830 1.00 10.00 N ATOM 0 H HIS A 43 8.353 9.122 -2.390 1.00 10.00 H new ATOM 0 HA HIS A 43 5.924 9.212 -3.929 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.603 8.651 -5.793 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.746 10.203 -4.992 1.00 10.00 H new ATOM 0 HD2 HIS A 43 10.040 10.545 -3.397 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.884 6.957 -4.662 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.259 9.141 -3.395 1.00 10.00 H new ATOM 390 N LEU A 44 5.547 6.823 -4.681 1.00 10.00 N ATOM 391 CA LEU A 44 5.174 5.424 -4.874 1.00 10.00 C ATOM 392 C LEU A 44 6.189 4.696 -5.750 1.00 10.00 C ATOM 393 O LEU A 44 6.142 3.473 -5.882 1.00 10.00 O ATOM 394 CB LEU A 44 3.772 5.316 -5.481 1.00 10.00 C ATOM 395 CG LEU A 44 2.619 5.453 -4.482 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.293 5.577 -5.212 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.590 4.266 -3.528 1.00 10.00 C ATOM 0 H LEU A 44 4.958 7.489 -5.180 1.00 10.00 H new ATOM 0 HA LEU A 44 5.168 4.945 -3.895 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.664 6.086 -6.245 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.684 4.353 -5.984 1.00 10.00 H new ATOM 0 HG LEU A 44 2.780 6.360 -3.899 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.486 5.673 -4.486 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.312 6.458 -5.853 1.00 10.00 H new ATOM 0 HD13 LEU A 44 1.129 4.688 -5.821 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.764 4.383 -2.827 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.456 3.346 -4.096 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.529 4.219 -2.977 1.00 10.00 H new ATOM 409 N LYS A 45 7.110 5.451 -6.335 1.00 10.00 N ATOM 410 CA LYS A 45 8.148 4.883 -7.183 1.00 10.00 C ATOM 411 C LYS A 45 8.981 3.883 -6.389 1.00 10.00 C ATOM 412 O LYS A 45 9.211 2.754 -6.830 1.00 10.00 O ATOM 413 CB LYS A 45 9.046 5.998 -7.734 1.00 10.00 C ATOM 414 CG LYS A 45 10.244 5.495 -8.524 1.00 10.00 C ATOM 415 CD LYS A 45 9.830 4.947 -9.877 1.00 10.00 C ATOM 416 CE LYS A 45 10.981 4.236 -10.561 1.00 10.00 C ATOM 417 NZ LYS A 45 10.631 3.817 -11.943 1.00 10.00 N ATOM 0 H LYS A 45 7.158 6.465 -6.236 1.00 10.00 H new ATOM 0 HA LYS A 45 7.678 4.365 -8.019 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.449 6.648 -8.374 1.00 10.00 H new ATOM 0 HB3 LYS A 45 9.402 6.608 -6.903 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.957 6.308 -8.663 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.754 4.717 -7.956 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.996 4.256 -9.752 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.477 5.762 -10.509 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.849 4.895 -10.590 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.265 3.360 -9.977 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.279 3.064 -12.252 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.654 3.462 -11.961 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.715 4.631 -12.585 1.00 10.00 H new ATOM 431 N LYS A 46 9.401 4.309 -5.202 1.00 10.00 N ATOM 432 CA LYS A 46 10.200 3.475 -4.316 1.00 10.00 C ATOM 433 C LYS A 46 9.417 2.236 -3.889 1.00 10.00 C ATOM 434 O LYS A 46 9.981 1.157 -3.719 1.00 10.00 O ATOM 435 CB LYS A 46 10.629 4.289 -3.086 1.00 10.00 C ATOM 436 CG LYS A 46 11.336 3.478 -2.008 1.00 10.00 C ATOM 437 CD LYS A 46 12.720 3.023 -2.445 1.00 10.00 C ATOM 438 CE LYS A 46 13.691 4.189 -2.554 1.00 10.00 C ATOM 439 NZ LYS A 46 13.853 4.908 -1.260 1.00 10.00 N ATOM 0 H LYS A 46 9.198 5.237 -4.830 1.00 10.00 H new ATOM 0 HA LYS A 46 11.089 3.144 -4.852 1.00 10.00 H new ATOM 0 HB2 LYS A 46 11.290 5.093 -3.410 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.747 4.758 -2.650 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.422 4.078 -1.102 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.732 2.606 -1.757 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.105 2.295 -1.731 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.649 2.518 -3.408 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.661 3.822 -2.888 1.00 10.00 H new ATOM 0 HE3 LYS A 46 13.336 4.886 -3.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.684 5.532 -1.311 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 13.004 5.477 -1.070 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.985 4.218 -0.493 1.00 10.00 H new ATOM 453 N LEU A 47 8.111 2.392 -3.738 1.00 10.00 N ATOM 454 CA LEU A 47 7.256 1.289 -3.322 1.00 10.00 C ATOM 455 C LEU A 47 7.091 0.264 -4.440 1.00 10.00 C ATOM 456 O LEU A 47 7.185 -0.942 -4.206 1.00 10.00 O ATOM 457 CB LEU A 47 5.885 1.815 -2.882 1.00 10.00 C ATOM 458 CG LEU A 47 5.813 2.385 -1.457 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.446 1.426 -0.461 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.479 3.753 -1.379 1.00 10.00 C ATOM 0 H LEU A 47 7.619 3.271 -3.897 1.00 10.00 H new ATOM 0 HA LEU A 47 7.736 0.794 -2.478 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.574 2.592 -3.580 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.162 1.004 -2.965 1.00 10.00 H new ATOM 0 HG LEU A 47 4.761 2.506 -1.198 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.384 1.849 0.542 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.916 0.474 -0.486 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.492 1.267 -0.724 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.413 4.132 -0.359 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.527 3.664 -1.666 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.974 4.442 -2.056 1.00 10.00 H new ATOM 472 N LYS A 48 6.863 0.750 -5.655 1.00 10.00 N ATOM 473 CA LYS A 48 6.675 -0.126 -6.807 1.00 10.00 C ATOM 474 C LYS A 48 7.916 -0.974 -7.070 1.00 10.00 C ATOM 475 O LYS A 48 7.811 -2.172 -7.341 1.00 10.00 O ATOM 476 CB LYS A 48 6.326 0.691 -8.055 1.00 10.00 C ATOM 477 CG LYS A 48 4.959 1.357 -7.991 1.00 10.00 C ATOM 478 CD LYS A 48 4.609 2.052 -9.301 1.00 10.00 C ATOM 479 CE LYS A 48 4.249 1.051 -10.390 1.00 10.00 C ATOM 480 NZ LYS A 48 3.892 1.720 -11.668 1.00 10.00 N ATOM 0 H LYS A 48 6.804 1.746 -5.868 1.00 10.00 H new ATOM 0 HA LYS A 48 5.847 -0.796 -6.578 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.087 1.458 -8.200 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.361 0.038 -8.927 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.200 0.609 -7.762 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.946 2.084 -7.179 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.772 2.732 -9.140 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.454 2.658 -9.628 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.090 0.378 -10.556 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.412 0.438 -10.056 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 3.902 1.023 -12.440 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 2.942 2.135 -11.589 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.582 2.471 -11.871 1.00 10.00 H new ATOM 494 N GLU A 49 9.090 -0.359 -6.974 1.00 10.00 N ATOM 495 CA GLU A 49 10.335 -1.075 -7.222 1.00 10.00 C ATOM 496 C GLU A 49 10.654 -2.044 -6.084 1.00 10.00 C ATOM 497 O GLU A 49 11.098 -3.164 -6.327 1.00 10.00 O ATOM 498 CB GLU A 49 11.500 -0.103 -7.452 1.00 10.00 C ATOM 499 CG GLU A 49 11.802 0.811 -6.277 1.00 10.00 C ATOM 500 CD GLU A 49 12.957 1.752 -6.552 1.00 10.00 C ATOM 501 OE1 GLU A 49 12.825 2.960 -6.270 1.00 10.00 O ATOM 502 OE2 GLU A 49 14.002 1.285 -7.054 1.00 10.00 O ATOM 0 H GLU A 49 9.205 0.624 -6.729 1.00 10.00 H new ATOM 0 HA GLU A 49 10.200 -1.659 -8.132 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.395 -0.679 -7.687 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.277 0.511 -8.325 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.913 1.394 -6.037 1.00 10.00 H new ATOM 0 HG3 GLU A 49 12.032 0.206 -5.400 1.00 10.00 H new ATOM 509 N SER A 50 10.404 -1.621 -4.847 1.00 10.00 N ATOM 510 CA SER A 50 10.676 -2.465 -3.685 1.00 10.00 C ATOM 511 C SER A 50 9.816 -3.727 -3.699 1.00 10.00 C ATOM 512 O SER A 50 10.266 -4.801 -3.294 1.00 10.00 O ATOM 513 CB SER A 50 10.450 -1.681 -2.391 1.00 10.00 C ATOM 514 OG SER A 50 11.360 -0.595 -2.294 1.00 10.00 O ATOM 0 H SER A 50 10.016 -0.705 -4.624 1.00 10.00 H new ATOM 0 HA SER A 50 11.721 -2.772 -3.734 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.426 -1.307 -2.361 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.573 -2.342 -1.533 1.00 10.00 H new ATOM 0 HG SER A 50 11.133 0.083 -2.965 1.00 10.00 H new ATOM 520 N TYR A 51 8.582 -3.599 -4.174 1.00 10.00 N ATOM 521 CA TYR A 51 7.678 -4.737 -4.244 1.00 10.00 C ATOM 522 C TYR A 51 8.220 -5.780 -5.214 1.00 10.00 C ATOM 523 O TYR A 51 8.179 -6.979 -4.938 1.00 10.00 O ATOM 524 CB TYR A 51 6.280 -4.291 -4.679 1.00 10.00 C ATOM 525 CG TYR A 51 5.225 -5.360 -4.499 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.667 -5.603 -3.250 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.794 -6.134 -5.572 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.708 -6.582 -3.076 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.834 -7.113 -5.405 1.00 10.00 C ATOM 530 CZ TYR A 51 3.298 -7.335 -4.157 1.00 10.00 C ATOM 531 OH TYR A 51 2.347 -8.313 -3.989 1.00 10.00 O ATOM 0 H TYR A 51 8.188 -2.722 -4.514 1.00 10.00 H new ATOM 0 HA TYR A 51 7.606 -5.180 -3.251 1.00 10.00 H new ATOM 0 HB2 TYR A 51 5.994 -3.409 -4.107 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.311 -3.995 -5.727 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.988 -5.017 -2.401 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.217 -5.967 -6.551 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.282 -6.757 -2.099 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.506 -7.701 -6.249 1.00 10.00 H new ATOM 0 HH TYR A 51 2.586 -9.098 -4.525 1.00 10.00 H new ATOM 541 N CYS A 52 8.746 -5.311 -6.343 1.00 10.00 N ATOM 542 CA CYS A 52 9.304 -6.198 -7.356 1.00 10.00 C ATOM 543 C CYS A 52 10.492 -6.974 -6.787 1.00 10.00 C ATOM 544 O CYS A 52 10.669 -8.160 -7.070 1.00 10.00 O ATOM 545 CB CYS A 52 9.736 -5.394 -8.586 1.00 10.00 C ATOM 546 SG CYS A 52 8.432 -4.349 -9.287 1.00 10.00 S ATOM 0 H CYS A 52 8.797 -4.320 -6.578 1.00 10.00 H new ATOM 0 HA CYS A 52 8.535 -6.910 -7.656 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.584 -4.765 -8.315 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.084 -6.085 -9.354 1.00 10.00 H new ATOM 0 HG CYS A 52 7.953 -3.573 -8.361 1.00 10.00 H new ATOM 552 N GLN A 53 11.286 -6.300 -5.967 1.00 10.00 N ATOM 553 CA GLN A 53 12.455 -6.914 -5.351 1.00 10.00 C ATOM 554 C GLN A 53 12.040 -8.016 -4.381 1.00 10.00 C ATOM 555 O GLN A 53 12.636 -9.094 -4.361 1.00 10.00 O ATOM 556 CB GLN A 53 13.280 -5.858 -4.620 1.00 10.00 C ATOM 557 CG GLN A 53 13.738 -4.719 -5.514 1.00 10.00 C ATOM 558 CD GLN A 53 14.217 -3.523 -4.722 1.00 10.00 C ATOM 559 OE1 GLN A 53 13.776 -3.294 -3.596 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.114 -2.748 -5.302 1.00 10.00 N ATOM 0 H GLN A 53 11.141 -5.323 -5.712 1.00 10.00 H new ATOM 0 HA GLN A 53 13.063 -7.359 -6.139 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.689 -5.450 -3.800 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.154 -6.335 -4.176 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.542 -5.069 -6.161 1.00 10.00 H new ATOM 0 HG3 GLN A 53 12.916 -4.416 -6.163 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.454 -2.973 -6.237 1.00 10.00 H new ATOM 0 HE22 GLN A 53 15.467 -1.924 -4.815 1.00 10.00 H new ATOM 569 N ARG A 54 11.007 -7.740 -3.590 1.00 10.00 N ATOM 570 CA ARG A 54 10.496 -8.705 -2.619 1.00 10.00 C ATOM 571 C ARG A 54 9.994 -9.958 -3.328 1.00 10.00 C ATOM 572 O ARG A 54 10.141 -11.067 -2.821 1.00 10.00 O ATOM 573 CB ARG A 54 9.364 -8.083 -1.791 1.00 10.00 C ATOM 574 CG ARG A 54 8.821 -8.994 -0.695 1.00 10.00 C ATOM 575 CD ARG A 54 9.794 -9.120 0.468 1.00 10.00 C ATOM 576 NE ARG A 54 9.105 -9.268 1.756 1.00 10.00 N ATOM 577 CZ ARG A 54 9.591 -8.823 2.918 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.775 -8.219 2.962 1.00 10.00 N ATOM 579 NH2 ARG A 54 8.898 -8.992 4.039 1.00 10.00 N ATOM 0 H ARG A 54 10.505 -6.852 -3.602 1.00 10.00 H new ATOM 0 HA ARG A 54 11.310 -8.982 -1.949 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.726 -7.161 -1.336 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.547 -7.810 -2.459 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.871 -8.601 -0.333 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.620 -9.982 -1.110 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.443 -9.980 0.304 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.435 -8.239 0.500 1.00 10.00 H new ATOM 0 HE ARG A 54 8.200 -9.739 1.764 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.316 -8.094 2.106 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.142 -7.881 3.851 1.00 10.00 H new ATOM 0 HH21 ARG A 54 7.993 -9.462 4.013 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.271 -8.652 4.925 1.00 10.00 H new ATOM 593 N GLN A 55 9.411 -9.773 -4.506 1.00 10.00 N ATOM 594 CA GLN A 55 8.888 -10.889 -5.283 1.00 10.00 C ATOM 595 C GLN A 55 9.998 -11.553 -6.096 1.00 10.00 C ATOM 596 O GLN A 55 9.846 -12.678 -6.569 1.00 10.00 O ATOM 597 CB GLN A 55 7.770 -10.412 -6.213 1.00 10.00 C ATOM 598 CG GLN A 55 6.598 -9.765 -5.492 1.00 10.00 C ATOM 599 CD GLN A 55 6.050 -10.622 -4.367 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.442 -10.477 -3.210 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.144 -11.527 -4.702 1.00 10.00 N ATOM 0 H GLN A 55 9.289 -8.860 -4.944 1.00 10.00 H new ATOM 0 HA GLN A 55 8.482 -11.625 -4.589 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.184 -9.698 -6.925 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.404 -11.262 -6.790 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.913 -8.803 -5.088 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.802 -9.565 -6.210 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.846 -11.615 -5.674 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.744 -12.136 -3.989 1.00 10.00 H new ATOM 610 N GLY A 56 11.113 -10.850 -6.252 1.00 10.00 N ATOM 611 CA GLY A 56 12.234 -11.381 -7.002 1.00 10.00 C ATOM 612 C GLY A 56 12.009 -11.326 -8.500 1.00 10.00 C ATOM 613 O GLY A 56 12.436 -12.217 -9.234 1.00 10.00 O ATOM 0 H GLY A 56 11.261 -9.916 -5.870 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.133 -10.818 -6.752 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.411 -12.414 -6.702 1.00 10.00 H new ATOM 617 N VAL A 57 11.339 -10.279 -8.957 1.00 10.00 N ATOM 618 CA VAL A 57 11.054 -10.107 -10.376 1.00 10.00 C ATOM 619 C VAL A 57 11.424 -8.697 -10.821 1.00 10.00 C ATOM 620 O VAL A 57 11.479 -7.785 -9.997 1.00 10.00 O ATOM 621 CB VAL A 57 9.561 -10.371 -10.695 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.219 -11.843 -10.516 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.660 -9.499 -9.829 1.00 10.00 C ATOM 0 H VAL A 57 10.980 -9.531 -8.363 1.00 10.00 H new ATOM 0 HA VAL A 57 11.655 -10.835 -10.920 1.00 10.00 H new ATOM 0 HB VAL A 57 9.388 -10.108 -11.739 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.165 -12.002 -10.746 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.832 -12.443 -11.188 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.414 -12.139 -9.485 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.617 -9.702 -10.070 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.839 -9.723 -8.777 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.879 -8.448 -10.019 1.00 10.00 H new ATOM 633 N PRO A 58 11.709 -8.500 -12.121 1.00 10.00 N ATOM 634 CA PRO A 58 12.062 -7.181 -12.656 1.00 10.00 C ATOM 635 C PRO A 58 10.914 -6.188 -12.515 1.00 10.00 C ATOM 636 O PRO A 58 9.756 -6.584 -12.371 1.00 10.00 O ATOM 637 CB PRO A 58 12.355 -7.454 -14.136 1.00 10.00 C ATOM 638 CG PRO A 58 11.677 -8.745 -14.437 1.00 10.00 C ATOM 639 CD PRO A 58 11.727 -9.540 -13.166 1.00 10.00 C ATOM 0 HA PRO A 58 12.902 -6.735 -12.124 1.00 10.00 H new ATOM 0 HB2 PRO A 58 11.973 -6.652 -14.767 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.427 -7.520 -14.319 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.647 -8.581 -14.755 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.181 -9.272 -15.247 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.875 -10.214 -13.078 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.626 -10.153 -13.109 1.00 10.00 H new ATOM 647 N MET A 59 11.225 -4.905 -12.565 1.00 10.00 N ATOM 648 CA MET A 59 10.205 -3.876 -12.433 1.00 10.00 C ATOM 649 C MET A 59 9.319 -3.831 -13.677 1.00 10.00 C ATOM 650 O MET A 59 9.724 -4.283 -14.748 1.00 10.00 O ATOM 651 CB MET A 59 10.850 -2.509 -12.196 1.00 10.00 C ATOM 652 CG MET A 59 9.907 -1.501 -11.562 1.00 10.00 C ATOM 653 SD MET A 59 10.661 0.118 -11.321 1.00 10.00 S ATOM 654 CE MET A 59 9.341 0.954 -10.444 1.00 10.00 C ATOM 0 H MET A 59 12.172 -4.550 -12.696 1.00 10.00 H new ATOM 0 HA MET A 59 9.583 -4.123 -11.573 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.723 -2.633 -11.555 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.207 -2.114 -13.147 1.00 10.00 H new ATOM 0 HG2 MET A 59 9.023 -1.394 -12.191 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.569 -1.884 -10.599 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.754 1.784 -9.871 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.612 1.334 -11.160 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.853 0.253 -9.767 1.00 10.00 H new ATOM 664 N ASN A 60 8.096 -3.322 -13.501 1.00 10.00 N ATOM 665 CA ASN A 60 7.108 -3.184 -14.585 1.00 10.00 C ATOM 666 C ASN A 60 6.453 -4.522 -14.937 1.00 10.00 C ATOM 667 O ASN A 60 5.499 -4.566 -15.713 1.00 10.00 O ATOM 668 CB ASN A 60 7.729 -2.553 -15.844 1.00 10.00 C ATOM 669 CG ASN A 60 6.684 -1.996 -16.795 1.00 10.00 C ATOM 670 OD1 ASN A 60 5.887 -1.136 -16.421 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.671 -2.485 -18.026 1.00 10.00 N ATOM 0 H ASN A 60 7.758 -2.991 -12.598 1.00 10.00 H new ATOM 0 HA ASN A 60 6.333 -2.515 -14.211 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.408 -1.754 -15.548 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.326 -3.302 -16.364 1.00 10.00 H new ATOM 0 HD21 ASN A 60 5.984 -2.149 -18.701 1.00 10.00 H new ATOM 0 HD22 ASN A 60 7.348 -3.197 -18.299 1.00 10.00 H new ATOM 678 N SER A 61 6.947 -5.612 -14.358 1.00 10.00 N ATOM 679 CA SER A 61 6.385 -6.931 -14.625 1.00 10.00 C ATOM 680 C SER A 61 5.064 -7.103 -13.882 1.00 10.00 C ATOM 681 O SER A 61 4.242 -7.955 -14.228 1.00 10.00 O ATOM 682 CB SER A 61 7.371 -8.028 -14.210 1.00 10.00 C ATOM 683 OG SER A 61 7.619 -7.994 -12.816 1.00 10.00 O ATOM 0 H SER A 61 7.730 -5.608 -13.705 1.00 10.00 H new ATOM 0 HA SER A 61 6.200 -7.017 -15.696 1.00 10.00 H new ATOM 0 HB2 SER A 61 6.971 -9.003 -14.487 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.308 -7.902 -14.752 1.00 10.00 H new ATOM 0 HG SER A 61 8.253 -7.275 -12.614 1.00 10.00 H new ATOM 689 N LEU A 62 4.868 -6.275 -12.868 1.00 10.00 N ATOM 690 CA LEU A 62 3.664 -6.316 -12.061 1.00 10.00 C ATOM 691 C LEU A 62 2.895 -5.009 -12.195 1.00 10.00 C ATOM 692 O LEU A 62 3.480 -3.926 -12.151 1.00 10.00 O ATOM 693 CB LEU A 62 4.021 -6.563 -10.594 1.00 10.00 C ATOM 694 CG LEU A 62 4.837 -7.827 -10.323 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.385 -7.811 -8.905 1.00 10.00 C ATOM 696 CD2 LEU A 62 3.989 -9.070 -10.552 1.00 10.00 C ATOM 0 H LEU A 62 5.537 -5.560 -12.584 1.00 10.00 H new ATOM 0 HA LEU A 62 3.035 -7.133 -12.415 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.580 -5.704 -10.224 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.098 -6.616 -10.017 1.00 10.00 H new ATOM 0 HG LEU A 62 5.676 -7.851 -11.018 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.963 -8.718 -8.728 1.00 10.00 H new ATOM 0 HD12 LEU A 62 6.027 -6.940 -8.773 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.558 -7.764 -8.196 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.587 -9.960 -10.354 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.130 -9.053 -9.881 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.642 -9.088 -11.585 1.00 10.00 H new ATOM 708 N ARG A 63 1.589 -5.117 -12.366 1.00 10.00 N ATOM 709 CA ARG A 63 0.737 -3.946 -12.499 1.00 10.00 C ATOM 710 C ARG A 63 -0.164 -3.803 -11.280 1.00 10.00 C ATOM 711 O ARG A 63 -0.954 -4.696 -10.962 1.00 10.00 O ATOM 712 CB ARG A 63 -0.104 -4.013 -13.780 1.00 10.00 C ATOM 713 CG ARG A 63 -0.667 -5.393 -14.089 1.00 10.00 C ATOM 714 CD ARG A 63 -1.574 -5.355 -15.306 1.00 10.00 C ATOM 715 NE ARG A 63 -1.771 -6.676 -15.896 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.016 -6.880 -17.189 1.00 10.00 C ATOM 717 NH1 ARG A 63 -2.027 -5.859 -18.037 1.00 10.00 N ATOM 718 NH2 ARG A 63 -2.219 -8.112 -17.638 1.00 10.00 N ATOM 0 H ARG A 63 1.093 -6.007 -12.416 1.00 10.00 H new ATOM 0 HA ARG A 63 1.381 -3.069 -12.565 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.930 -3.307 -13.695 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.509 -3.687 -14.620 1.00 10.00 H new ATOM 0 HG2 ARG A 63 0.151 -6.092 -14.263 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.224 -5.763 -13.228 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.541 -4.939 -15.022 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.147 -4.687 -16.053 1.00 10.00 H new ATOM 0 HE ARG A 63 -1.718 -7.489 -15.283 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.847 -4.913 -17.699 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.215 -6.020 -19.027 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -2.187 -8.902 -16.993 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -2.407 -8.269 -18.628 1.00 10.00 H new ATOM 732 N PHE A 64 -0.023 -2.681 -10.593 1.00 10.00 N ATOM 733 CA PHE A 64 -0.816 -2.398 -9.406 1.00 10.00 C ATOM 734 C PHE A 64 -2.116 -1.712 -9.803 1.00 10.00 C ATOM 735 O PHE A 64 -2.097 -0.680 -10.479 1.00 10.00 O ATOM 736 CB PHE A 64 -0.028 -1.504 -8.445 1.00 10.00 C ATOM 737 CG PHE A 64 1.295 -2.081 -8.021 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.415 -1.949 -8.829 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.419 -2.749 -6.813 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.631 -2.476 -8.442 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.634 -3.277 -6.421 1.00 10.00 C ATOM 742 CZ PHE A 64 3.741 -3.140 -7.237 1.00 10.00 C ATOM 0 H PHE A 64 0.639 -1.945 -10.839 1.00 10.00 H new ATOM 0 HA PHE A 64 -1.046 -3.338 -8.904 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.144 -0.539 -8.921 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.633 -1.319 -7.558 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.335 -1.428 -9.772 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.557 -2.858 -6.172 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.495 -2.369 -9.081 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.719 -3.796 -5.478 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.691 -3.552 -6.932 1.00 10.00 H new ATOM 752 N LEU A 65 -3.234 -2.284 -9.386 1.00 10.00 N ATOM 753 CA LEU A 65 -4.539 -1.728 -9.709 1.00 10.00 C ATOM 754 C LEU A 65 -5.251 -1.243 -8.453 1.00 10.00 C ATOM 755 O LEU A 65 -5.425 -1.995 -7.489 1.00 10.00 O ATOM 756 CB LEU A 65 -5.405 -2.763 -10.435 1.00 10.00 C ATOM 757 CG LEU A 65 -4.972 -3.092 -11.869 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.983 -4.009 -12.535 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.796 -1.820 -12.683 1.00 10.00 C ATOM 0 H LEU A 65 -3.264 -3.134 -8.823 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.383 -0.875 -10.370 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.405 -3.685 -9.853 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.433 -2.400 -10.458 1.00 10.00 H new ATOM 0 HG LEU A 65 -4.013 -3.608 -11.824 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.658 -4.231 -13.552 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -6.061 -4.937 -11.968 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.956 -3.518 -12.564 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.489 -2.076 -13.697 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.740 -1.276 -12.717 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.033 -1.194 -12.220 1.00 10.00 H new ATOM 771 N PHE A 66 -5.647 0.021 -8.472 1.00 10.00 N ATOM 772 CA PHE A 66 -6.348 0.636 -7.359 1.00 10.00 C ATOM 773 C PHE A 66 -7.524 1.443 -7.890 1.00 10.00 C ATOM 774 O PHE A 66 -7.337 2.352 -8.700 1.00 10.00 O ATOM 775 CB PHE A 66 -5.395 1.540 -6.566 1.00 10.00 C ATOM 776 CG PHE A 66 -6.014 2.176 -5.352 1.00 10.00 C ATOM 777 CD1 PHE A 66 -6.386 1.405 -4.264 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.215 3.547 -5.298 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.951 1.989 -3.144 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.778 4.136 -4.182 1.00 10.00 C ATOM 781 CZ PHE A 66 -7.147 3.356 -3.104 1.00 10.00 C ATOM 0 H PHE A 66 -5.490 0.648 -9.261 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.718 -0.141 -6.690 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.531 0.953 -6.254 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -5.025 2.326 -7.225 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -6.234 0.336 -4.290 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -5.928 4.162 -6.138 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -7.238 1.377 -2.302 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -6.929 5.205 -4.153 1.00 10.00 H new ATOM 0 HZ PHE A 66 -7.588 3.814 -2.231 1.00 10.00 H new ATOM 791 N GLU A 67 -8.732 1.078 -7.462 1.00 10.00 N ATOM 792 CA GLU A 67 -9.958 1.757 -7.889 1.00 10.00 C ATOM 793 C GLU A 67 -10.196 1.574 -9.388 1.00 10.00 C ATOM 794 O GLU A 67 -10.938 2.335 -10.008 1.00 10.00 O ATOM 795 CB GLU A 67 -9.903 3.249 -7.535 1.00 10.00 C ATOM 796 CG GLU A 67 -9.849 3.515 -6.041 1.00 10.00 C ATOM 797 CD GLU A 67 -11.169 3.242 -5.351 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.506 2.059 -5.143 1.00 10.00 O ATOM 799 OE2 GLU A 67 -11.878 4.213 -5.021 1.00 10.00 O ATOM 0 H GLU A 67 -8.890 0.307 -6.813 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.793 1.304 -7.355 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.027 3.694 -8.007 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.778 3.746 -7.953 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.074 2.893 -5.593 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -9.563 4.553 -5.871 1.00 10.00 H new ATOM 806 N GLY A 68 -9.574 0.550 -9.963 1.00 10.00 N ATOM 807 CA GLY A 68 -9.726 0.287 -11.382 1.00 10.00 C ATOM 808 C GLY A 68 -8.717 1.049 -12.220 1.00 10.00 C ATOM 809 O GLY A 68 -8.737 0.980 -13.449 1.00 10.00 O ATOM 0 H GLY A 68 -8.966 -0.104 -9.470 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.614 -0.782 -11.565 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.734 0.560 -11.694 1.00 10.00 H new ATOM 813 N GLN A 69 -7.836 1.782 -11.556 1.00 10.00 N ATOM 814 CA GLN A 69 -6.810 2.555 -12.241 1.00 10.00 C ATOM 815 C GLN A 69 -5.435 2.002 -11.898 1.00 10.00 C ATOM 816 O GLN A 69 -5.214 1.531 -10.781 1.00 10.00 O ATOM 817 CB GLN A 69 -6.896 4.028 -11.836 1.00 10.00 C ATOM 818 CG GLN A 69 -8.258 4.655 -12.083 1.00 10.00 C ATOM 819 CD GLN A 69 -8.350 6.075 -11.558 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.699 6.434 -10.578 1.00 10.00 O ATOM 821 NE2 GLN A 69 -9.170 6.889 -12.200 1.00 10.00 N ATOM 0 H GLN A 69 -7.811 1.858 -10.539 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.970 2.479 -13.316 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.651 4.119 -10.778 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -6.142 4.591 -12.387 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.466 4.653 -13.153 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -9.026 4.045 -11.608 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.692 6.553 -13.009 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -9.280 7.853 -11.886 1.00 10.00 H new ATOM 830 N ARG A 70 -4.516 2.036 -12.855 1.00 10.00 N ATOM 831 CA ARG A 70 -3.172 1.543 -12.616 1.00 10.00 C ATOM 832 C ARG A 70 -2.352 2.603 -11.893 1.00 10.00 C ATOM 833 O ARG A 70 -2.497 3.801 -12.148 1.00 10.00 O ATOM 834 CB ARG A 70 -2.492 1.127 -13.933 1.00 10.00 C ATOM 835 CG ARG A 70 -1.768 2.257 -14.655 1.00 10.00 C ATOM 836 CD ARG A 70 -1.212 1.806 -15.998 1.00 10.00 C ATOM 837 NE ARG A 70 -0.218 0.738 -15.858 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.337 -0.475 -16.407 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.424 -0.799 -17.095 1.00 10.00 N ATOM 840 NH2 ARG A 70 0.634 -1.369 -16.265 1.00 10.00 N ATOM 0 H ARG A 70 -4.678 2.397 -13.795 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.235 0.657 -11.985 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.778 0.331 -13.723 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.246 0.711 -14.601 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -2.455 3.090 -14.807 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -0.954 2.625 -14.030 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.030 1.458 -16.629 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -0.758 2.657 -16.505 1.00 10.00 H new ATOM 0 HE ARG A 70 0.618 0.933 -15.307 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.177 -0.120 -17.208 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -1.507 -1.727 -17.511 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.473 -1.131 -15.736 1.00 10.00 H new ATOM 0 HH22 ARG A 70 0.541 -2.294 -16.685 1.00 10.00 H new ATOM 854 N ILE A 71 -1.513 2.162 -10.975 1.00 10.00 N ATOM 855 CA ILE A 71 -0.668 3.068 -10.220 1.00 10.00 C ATOM 856 C ILE A 71 0.541 3.484 -11.050 1.00 10.00 C ATOM 857 O ILE A 71 1.324 2.638 -11.495 1.00 10.00 O ATOM 858 CB ILE A 71 -0.191 2.425 -8.900 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.393 2.038 -8.032 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.734 3.366 -8.139 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.321 3.196 -7.722 1.00 10.00 C ATOM 0 H ILE A 71 -1.398 1.178 -10.733 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.264 3.949 -9.979 1.00 10.00 H new ATOM 0 HB ILE A 71 0.370 1.523 -9.144 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.959 1.256 -8.539 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -1.032 1.613 -7.095 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.056 2.890 -7.213 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.606 3.594 -8.752 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.203 4.289 -7.906 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -3.147 2.845 -7.104 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.771 3.970 -7.186 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.713 3.607 -8.652 1.00 10.00 H new ATOM 873 N ALA A 72 0.678 4.781 -11.264 1.00 10.00 N ATOM 874 CA ALA A 72 1.786 5.321 -12.037 1.00 10.00 C ATOM 875 C ALA A 72 3.053 5.373 -11.190 1.00 10.00 C ATOM 876 O ALA A 72 3.005 5.185 -9.975 1.00 10.00 O ATOM 877 CB ALA A 72 1.434 6.703 -12.564 1.00 10.00 C ATOM 0 H ALA A 72 0.031 5.486 -10.911 1.00 10.00 H new ATOM 0 HA ALA A 72 1.972 4.664 -12.887 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.271 7.097 -13.141 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.553 6.635 -13.203 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.225 7.369 -11.727 1.00 10.00 H new ATOM 883 N ASP A 73 4.180 5.640 -11.830 1.00 10.00 N ATOM 884 CA ASP A 73 5.459 5.696 -11.129 1.00 10.00 C ATOM 885 C ASP A 73 5.654 7.046 -10.452 1.00 10.00 C ATOM 886 O ASP A 73 6.479 7.185 -9.547 1.00 10.00 O ATOM 887 CB ASP A 73 6.616 5.412 -12.091 1.00 10.00 C ATOM 888 CG ASP A 73 6.876 3.928 -12.262 1.00 10.00 C ATOM 889 OD1 ASP A 73 5.907 3.167 -12.473 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.049 3.512 -12.184 1.00 10.00 O ATOM 0 H ASP A 73 4.239 5.822 -12.832 1.00 10.00 H new ATOM 0 HA ASP A 73 5.450 4.926 -10.358 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.393 5.853 -13.063 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.520 5.896 -11.721 1.00 10.00 H new ATOM 895 N ASN A 74 4.889 8.039 -10.885 1.00 10.00 N ATOM 896 CA ASN A 74 4.983 9.376 -10.307 1.00 10.00 C ATOM 897 C ASN A 74 3.834 9.627 -9.332 1.00 10.00 C ATOM 898 O ASN A 74 3.726 10.708 -8.747 1.00 10.00 O ATOM 899 CB ASN A 74 4.988 10.454 -11.404 1.00 10.00 C ATOM 900 CG ASN A 74 3.591 10.856 -11.854 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.746 10.005 -12.138 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.342 12.158 -11.918 1.00 10.00 N ATOM 0 H ASN A 74 4.199 7.947 -11.631 1.00 10.00 H new ATOM 0 HA ASN A 74 5.925 9.435 -9.762 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.512 11.336 -11.036 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.548 10.086 -12.264 1.00 10.00 H new ATOM 0 HD21 ASN A 74 2.422 12.488 -12.211 1.00 10.00 H new ATOM 0 HD22 ASN A 74 4.070 12.829 -11.674 1.00 10.00 H new ATOM 909 N HIS A 75 2.982 8.625 -9.158 1.00 10.00 N ATOM 910 CA HIS A 75 1.841 8.740 -8.258 1.00 10.00 C ATOM 911 C HIS A 75 2.293 8.739 -6.803 1.00 10.00 C ATOM 912 O HIS A 75 3.396 8.288 -6.481 1.00 10.00 O ATOM 913 CB HIS A 75 0.848 7.594 -8.482 1.00 10.00 C ATOM 914 CG HIS A 75 -0.135 7.837 -9.590 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.986 6.844 -10.019 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.367 8.957 -10.314 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.712 7.380 -10.983 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.373 8.657 -11.201 1.00 10.00 N ATOM 0 H HIS A 75 3.059 7.723 -9.628 1.00 10.00 H new ATOM 0 HA HIS A 75 1.347 9.687 -8.477 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.405 6.683 -8.700 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.299 7.418 -7.557 1.00 10.00 H new ATOM 0 HD2 HIS A 75 0.141 9.905 -10.214 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.483 6.854 -11.527 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -1.782 9.286 -11.892 1.00 10.00 H new ATOM 926 N THR A 76 1.441 9.255 -5.934 1.00 10.00 N ATOM 927 CA THR A 76 1.725 9.306 -4.511 1.00 10.00 C ATOM 928 C THR A 76 0.501 8.848 -3.722 1.00 10.00 C ATOM 929 O THR A 76 -0.607 8.838 -4.256 1.00 10.00 O ATOM 930 CB THR A 76 2.120 10.732 -4.073 1.00 10.00 C ATOM 931 OG1 THR A 76 1.313 11.696 -4.761 1.00 10.00 O ATOM 932 CG2 THR A 76 3.591 11.003 -4.350 1.00 10.00 C ATOM 0 H THR A 76 0.537 9.649 -6.194 1.00 10.00 H new ATOM 0 HA THR A 76 2.564 8.640 -4.308 1.00 10.00 H new ATOM 0 HB THR A 76 1.952 10.815 -2.999 1.00 10.00 H new ATOM 0 HG1 THR A 76 1.136 11.383 -5.673 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.841 12.015 -4.031 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.203 10.288 -3.800 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.785 10.901 -5.418 1.00 10.00 H new ATOM 940 N PRO A 77 0.678 8.451 -2.449 1.00 10.00 N ATOM 941 CA PRO A 77 -0.435 7.997 -1.602 1.00 10.00 C ATOM 942 C PRO A 77 -1.413 9.127 -1.276 1.00 10.00 C ATOM 943 O PRO A 77 -2.527 8.884 -0.810 1.00 10.00 O ATOM 944 CB PRO A 77 0.256 7.500 -0.320 1.00 10.00 C ATOM 945 CG PRO A 77 1.701 7.370 -0.667 1.00 10.00 C ATOM 946 CD PRO A 77 1.962 8.388 -1.738 1.00 10.00 C ATOM 0 HA PRO A 77 -1.033 7.232 -2.098 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.112 8.203 0.501 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.157 6.544 0.003 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.330 7.551 0.205 1.00 10.00 H new ATOM 0 HG3 PRO A 77 1.928 6.364 -1.021 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.239 9.355 -1.318 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.774 8.082 -2.397 1.00 10.00 H new ATOM 954 N LYS A 78 -0.980 10.360 -1.524 1.00 10.00 N ATOM 955 CA LYS A 78 -1.801 11.533 -1.261 1.00 10.00 C ATOM 956 C LYS A 78 -2.975 11.593 -2.233 1.00 10.00 C ATOM 957 O LYS A 78 -4.116 11.820 -1.832 1.00 10.00 O ATOM 958 CB LYS A 78 -0.955 12.806 -1.375 1.00 10.00 C ATOM 959 CG LYS A 78 -1.712 14.085 -1.039 1.00 10.00 C ATOM 960 CD LYS A 78 -2.109 14.144 0.431 1.00 10.00 C ATOM 961 CE LYS A 78 -0.902 14.331 1.334 1.00 10.00 C ATOM 962 NZ LYS A 78 -1.297 14.583 2.744 1.00 10.00 N ATOM 0 H LYS A 78 -0.059 10.571 -1.909 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.194 11.460 -0.247 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.095 12.719 -0.710 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.566 12.882 -2.391 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -1.092 14.948 -1.282 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.606 14.151 -1.659 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -2.809 14.965 0.586 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -2.629 13.226 0.704 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.273 13.442 1.287 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.303 15.166 0.970 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.444 14.705 3.327 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -1.876 15.445 2.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -1.847 13.775 3.100 1.00 10.00 H new ATOM 976 N GLU A 79 -2.688 11.381 -3.509 1.00 10.00 N ATOM 977 CA GLU A 79 -3.723 11.405 -4.528 1.00 10.00 C ATOM 978 C GLU A 79 -4.428 10.055 -4.581 1.00 10.00 C ATOM 979 O GLU A 79 -4.012 9.113 -3.902 1.00 10.00 O ATOM 980 CB GLU A 79 -3.127 11.762 -5.893 1.00 10.00 C ATOM 981 CG GLU A 79 -2.030 10.818 -6.352 1.00 10.00 C ATOM 982 CD GLU A 79 -1.119 11.451 -7.380 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.612 11.841 -8.459 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.095 11.567 -7.108 1.00 10.00 O ATOM 0 H GLU A 79 -1.750 11.191 -3.861 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.454 12.171 -4.271 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.924 11.766 -6.637 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.727 12.775 -5.850 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.440 10.505 -5.491 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.480 9.919 -6.774 1.00 10.00 H new ATOM 991 N LEU A 80 -5.501 9.978 -5.372 1.00 10.00 N ATOM 992 CA LEU A 80 -6.299 8.753 -5.528 1.00 10.00 C ATOM 993 C LEU A 80 -7.148 8.488 -4.283 1.00 10.00 C ATOM 994 O LEU A 80 -8.341 8.193 -4.381 1.00 10.00 O ATOM 995 CB LEU A 80 -5.408 7.537 -5.837 1.00 10.00 C ATOM 996 CG LEU A 80 -4.546 7.664 -7.095 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.317 6.776 -6.992 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.354 7.312 -8.333 1.00 10.00 C ATOM 0 H LEU A 80 -5.844 10.764 -5.925 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.967 8.907 -6.375 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.753 7.360 -4.984 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.044 6.657 -5.939 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.216 8.699 -7.182 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -2.716 6.880 -7.896 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.725 7.073 -6.127 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.627 5.737 -6.880 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.725 7.408 -9.218 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.714 6.286 -8.253 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.204 7.989 -8.417 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.528 8.599 -3.116 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.232 8.384 -1.870 1.00 10.00 C ATOM 1012 C GLY A 81 -6.788 7.125 -1.159 1.00 10.00 C ATOM 1013 O GLY A 81 -7.579 6.204 -0.970 1.00 10.00 O ATOM 0 H GLY A 81 -5.542 8.836 -3.011 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.074 9.241 -1.215 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.302 8.327 -2.067 1.00 10.00 H new ATOM 1017 N MET A 82 -5.529 7.085 -0.755 1.00 10.00 N ATOM 1018 CA MET A 82 -4.991 5.924 -0.061 1.00 10.00 C ATOM 1019 C MET A 82 -4.910 6.182 1.437 1.00 10.00 C ATOM 1020 O MET A 82 -4.373 7.203 1.875 1.00 10.00 O ATOM 1021 CB MET A 82 -3.606 5.568 -0.604 1.00 10.00 C ATOM 1022 CG MET A 82 -3.642 4.737 -1.875 1.00 10.00 C ATOM 1023 SD MET A 82 -1.998 4.434 -2.548 1.00 10.00 S ATOM 1024 CE MET A 82 -2.395 3.351 -3.916 1.00 10.00 C ATOM 0 H MET A 82 -4.860 7.842 -0.895 1.00 10.00 H new ATOM 0 HA MET A 82 -5.664 5.085 -0.235 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.054 6.488 -0.798 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.055 5.021 0.161 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.128 3.783 -1.668 1.00 10.00 H new ATOM 0 HG3 MET A 82 -4.249 5.248 -2.623 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.479 3.072 -4.437 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.886 2.454 -3.539 1.00 10.00 H new ATOM 0 HE3 MET A 82 -3.062 3.867 -4.607 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.463 5.267 2.215 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.455 5.385 3.660 1.00 10.00 C ATOM 1036 C GLU A 83 -5.017 4.071 4.305 1.00 10.00 C ATOM 1037 O GLU A 83 -4.628 3.127 3.616 1.00 10.00 O ATOM 1038 CB GLU A 83 -6.843 5.790 4.157 1.00 10.00 C ATOM 1039 CG GLU A 83 -6.883 7.166 4.803 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.033 7.244 6.053 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.054 6.282 6.850 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -5.343 8.265 6.245 1.00 10.00 O ATOM 0 H GLU A 83 -5.926 4.428 1.865 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.740 6.157 3.945 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.539 5.772 3.319 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.192 5.050 4.877 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -6.538 7.911 4.086 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -7.914 7.417 5.052 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.082 4.022 5.629 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.690 2.840 6.385 1.00 10.00 C ATOM 1051 C GLU A 84 -5.631 1.669 6.106 1.00 10.00 C ATOM 1052 O GLU A 84 -6.849 1.852 6.019 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.686 3.171 7.882 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.323 1.999 8.784 1.00 10.00 C ATOM 1055 CD GLU A 84 -2.887 1.546 8.616 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.033 2.393 8.295 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.610 0.342 8.816 1.00 10.00 O ATOM 0 H GLU A 84 -5.407 4.797 6.207 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.688 2.544 6.073 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -3.981 3.983 8.060 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.673 3.538 8.163 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.490 2.282 9.823 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -4.989 1.163 8.570 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.048 0.477 5.958 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.800 -0.754 5.704 1.00 10.00 C ATOM 1066 C GLU A 85 -6.483 -0.732 4.342 1.00 10.00 C ATOM 1067 O GLU A 85 -7.502 -1.396 4.137 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.838 -0.995 6.804 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.234 -1.390 8.140 1.00 10.00 C ATOM 1070 CD GLU A 85 -5.816 -2.845 8.185 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.617 -3.127 8.014 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.686 -3.713 8.412 1.00 10.00 O ATOM 0 H GLU A 85 -4.039 0.338 6.011 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.081 -1.573 5.707 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.430 -0.089 6.937 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.523 -1.779 6.479 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.367 -0.761 8.343 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -6.958 -1.200 8.932 1.00 10.00 H new ATOM 1079 N ASP A 86 -5.927 0.029 3.410 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.490 0.103 2.070 1.00 10.00 C ATOM 1081 C ASP A 86 -6.135 -1.155 1.290 1.00 10.00 C ATOM 1082 O ASP A 86 -5.023 -1.679 1.409 1.00 10.00 O ATOM 1083 CB ASP A 86 -5.996 1.340 1.327 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.142 2.217 0.869 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -8.012 1.722 0.122 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.185 3.398 1.270 1.00 10.00 O ATOM 0 H ASP A 86 -5.094 0.599 3.555 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.574 0.179 2.160 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.336 1.915 1.977 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.406 1.034 0.464 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.079 -1.633 0.495 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.886 -2.843 -0.288 1.00 10.00 C ATOM 1093 C VAL A 87 -6.450 -2.523 -1.712 1.00 10.00 C ATOM 1094 O VAL A 87 -7.155 -1.836 -2.453 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.175 -3.690 -0.332 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.969 -4.959 -1.146 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.639 -4.030 1.076 1.00 10.00 C ATOM 0 H VAL A 87 -7.993 -1.197 0.375 1.00 10.00 H new ATOM 0 HA VAL A 87 -6.098 -3.413 0.203 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.950 -3.098 -0.820 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.893 -5.536 -1.160 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.690 -4.696 -2.166 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.176 -5.555 -0.696 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.549 -4.628 1.025 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.861 -4.596 1.589 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.839 -3.110 1.625 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.282 -3.023 -2.079 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.743 -2.823 -3.412 1.00 10.00 C ATOM 1109 C ILE A 88 -4.336 -4.174 -3.997 1.00 10.00 C ATOM 1110 O ILE A 88 -3.783 -5.021 -3.294 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.541 -1.844 -3.407 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.980 -1.662 -4.822 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.452 -2.320 -2.457 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.949 -0.558 -4.935 1.00 10.00 C ATOM 0 H ILE A 88 -4.684 -3.576 -1.465 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.517 -2.372 -4.033 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.900 -0.877 -3.054 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.531 -2.600 -5.148 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.803 -1.449 -5.504 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.621 -1.615 -2.473 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.854 -2.384 -1.446 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.100 -3.303 -2.770 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.599 -0.491 -5.965 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.398 0.391 -4.641 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -1.106 -0.779 -4.280 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.633 -4.390 -5.267 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.304 -5.650 -5.913 1.00 10.00 C ATOM 1128 C GLU A 89 -3.238 -5.466 -6.980 1.00 10.00 C ATOM 1129 O GLU A 89 -3.141 -4.407 -7.604 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.556 -6.279 -6.521 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.322 -7.149 -5.543 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.725 -7.451 -6.008 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -7.888 -8.302 -6.902 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.674 -6.829 -5.485 1.00 10.00 O ATOM 0 H GLU A 89 -5.100 -3.712 -5.870 1.00 10.00 H new ATOM 0 HA GLU A 89 -3.904 -6.319 -5.151 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.212 -5.488 -6.885 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.270 -6.879 -7.385 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -5.783 -8.085 -5.396 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.364 -6.650 -4.575 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.441 -6.502 -7.180 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.380 -6.471 -8.165 1.00 10.00 C ATOM 1143 C VAL A 90 -1.438 -7.718 -9.040 1.00 10.00 C ATOM 1144 O VAL A 90 -1.620 -8.831 -8.547 1.00 10.00 O ATOM 1145 CB VAL A 90 0.009 -6.349 -7.491 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.247 -7.489 -6.514 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.115 -6.291 -8.535 1.00 10.00 C ATOM 0 H VAL A 90 -2.512 -7.381 -6.667 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.526 -5.591 -8.791 1.00 10.00 H new ATOM 0 HB VAL A 90 0.025 -5.417 -6.927 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.230 -7.377 -6.056 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.519 -7.469 -5.739 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.201 -8.439 -7.046 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.081 -6.205 -8.037 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.096 -7.200 -9.136 1.00 10.00 H new ATOM 0 HG23 VAL A 90 0.961 -5.426 -9.180 1.00 10.00 H new ATOM 1157 N TYR A 91 -1.325 -7.518 -10.341 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.356 -8.618 -11.291 1.00 10.00 C ATOM 1159 C TYR A 91 -0.108 -8.580 -12.154 1.00 10.00 C ATOM 1160 O TYR A 91 0.630 -7.597 -12.136 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.592 -8.523 -12.191 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.902 -8.402 -11.444 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -4.551 -9.525 -10.946 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.493 -7.161 -11.245 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -5.754 -9.415 -10.277 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.693 -7.044 -10.573 1.00 10.00 C ATOM 1167 CZ TYR A 91 -6.319 -8.172 -10.091 1.00 10.00 C ATOM 1168 OH TYR A 91 -7.524 -8.056 -9.438 1.00 10.00 O ATOM 0 H TYR A 91 -1.210 -6.598 -10.767 1.00 10.00 H new ATOM 0 HA TYR A 91 -1.397 -9.554 -10.734 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.482 -7.661 -12.849 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.631 -9.407 -12.828 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -4.107 -10.500 -11.084 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.006 -6.274 -11.622 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -6.249 -10.298 -9.902 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.139 -6.072 -10.426 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.451 -8.452 -8.544 1.00 10.00 H new ATOM 1178 N GLN A 92 0.125 -9.637 -12.908 1.00 10.00 N ATOM 1179 CA GLN A 92 1.277 -9.694 -13.792 1.00 10.00 C ATOM 1180 C GLN A 92 0.948 -8.977 -15.099 1.00 10.00 C ATOM 1181 O GLN A 92 -0.161 -9.108 -15.622 1.00 10.00 O ATOM 1182 CB GLN A 92 1.678 -11.143 -14.073 1.00 10.00 C ATOM 1183 CG GLN A 92 3.015 -11.273 -14.785 1.00 10.00 C ATOM 1184 CD GLN A 92 3.140 -12.579 -15.541 1.00 10.00 C ATOM 1185 OE1 GLN A 92 3.602 -13.582 -14.998 1.00 10.00 O ATOM 1186 NE2 GLN A 92 2.735 -12.571 -16.799 1.00 10.00 N ATOM 0 H GLN A 92 -0.466 -10.468 -12.927 1.00 10.00 H new ATOM 0 HA GLN A 92 2.118 -9.200 -13.306 1.00 10.00 H new ATOM 0 HB2 GLN A 92 1.722 -11.689 -13.131 1.00 10.00 H new ATOM 0 HB3 GLN A 92 0.905 -11.615 -14.679 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.137 -10.441 -15.479 1.00 10.00 H new ATOM 0 HG3 GLN A 92 3.821 -11.200 -14.055 1.00 10.00 H new ATOM 0 HE21 GLN A 92 2.358 -11.716 -17.208 1.00 10.00 H new ATOM 0 HE22 GLN A 92 2.799 -13.420 -17.361 1.00 10.00 H new ATOM 1195 N GLU A 93 1.901 -8.214 -15.609 1.00 10.00 N ATOM 1196 CA GLU A 93 1.710 -7.478 -16.851 1.00 10.00 C ATOM 1197 C GLU A 93 1.768 -8.409 -18.056 1.00 10.00 C ATOM 1198 O GLU A 93 2.131 -9.583 -17.940 1.00 10.00 O ATOM 1199 CB GLU A 93 2.772 -6.388 -16.996 1.00 10.00 C ATOM 1200 CG GLU A 93 2.238 -4.981 -16.772 1.00 10.00 C ATOM 1201 CD GLU A 93 1.088 -4.629 -17.697 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.983 -5.232 -18.786 1.00 10.00 O ATOM 1203 OE2 GLU A 93 0.281 -3.747 -17.335 1.00 10.00 O ATOM 0 H GLU A 93 2.818 -8.087 -15.181 1.00 10.00 H new ATOM 0 HA GLU A 93 0.723 -7.017 -16.814 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.576 -6.579 -16.285 1.00 10.00 H new ATOM 0 HB3 GLU A 93 3.207 -6.447 -17.994 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.908 -4.884 -15.738 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.046 -4.264 -16.917 1.00 10.00 H new ATOM 1210 N GLN A 94 1.410 -7.869 -19.211 1.00 10.00 N ATOM 1211 CA GLN A 94 1.425 -8.631 -20.448 1.00 10.00 C ATOM 1212 C GLN A 94 2.836 -8.643 -21.027 1.00 10.00 C ATOM 1213 O GLN A 94 3.235 -9.585 -21.713 1.00 10.00 O ATOM 1214 CB GLN A 94 0.442 -8.028 -21.455 1.00 10.00 C ATOM 1215 CG GLN A 94 0.163 -8.924 -22.653 1.00 10.00 C ATOM 1216 CD GLN A 94 -0.542 -8.188 -23.774 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -0.351 -6.987 -23.962 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.358 -8.903 -24.530 1.00 10.00 N ATOM 0 H GLN A 94 1.104 -6.902 -19.316 1.00 10.00 H new ATOM 0 HA GLN A 94 1.118 -9.656 -20.239 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.498 -7.813 -20.947 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.837 -7.076 -21.809 1.00 10.00 H new ATOM 0 HG2 GLN A 94 1.103 -9.332 -23.025 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.448 -9.769 -22.336 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.489 -9.897 -24.341 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -1.856 -8.461 -25.302 1.00 10.00 H new ATOM 1227 N THR A 95 3.588 -7.586 -20.739 1.00 10.00 N ATOM 1228 CA THR A 95 4.955 -7.463 -21.215 1.00 10.00 C ATOM 1229 C THR A 95 5.881 -8.389 -20.433 1.00 10.00 C ATOM 1230 O THR A 95 6.581 -9.222 -21.012 1.00 10.00 O ATOM 1231 CB THR A 95 5.443 -6.011 -21.081 1.00 10.00 C ATOM 1232 OG1 THR A 95 4.853 -5.413 -19.916 1.00 10.00 O ATOM 1233 CG2 THR A 95 5.078 -5.199 -22.313 1.00 10.00 C ATOM 0 H THR A 95 3.268 -6.799 -20.174 1.00 10.00 H new ATOM 0 HA THR A 95 4.974 -7.749 -22.267 1.00 10.00 H new ATOM 0 HB THR A 95 6.529 -6.018 -20.984 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.165 -4.488 -19.829 1.00 10.00 H new ATOM 0 HG21 THR A 95 5.434 -4.176 -22.193 1.00 10.00 H new ATOM 0 HG22 THR A 95 5.542 -5.644 -23.193 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.995 -5.194 -22.438 1.00 10.00 H new ATOM 1241 N GLY A 96 5.870 -8.250 -19.116 1.00 10.00 N ATOM 1242 CA GLY A 96 6.705 -9.087 -18.279 1.00 10.00 C ATOM 1243 C GLY A 96 7.921 -8.357 -17.744 1.00 10.00 C ATOM 1244 O GLY A 96 8.834 -8.981 -17.203 1.00 10.00 O ATOM 0 H GLY A 96 5.298 -7.573 -18.612 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.114 -9.461 -17.443 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.031 -9.955 -18.852 1.00 10.00 H new ATOM 1248 N GLY A 97 7.938 -7.041 -17.892 1.00 10.00 N ATOM 1249 CA GLY A 97 9.054 -6.261 -17.403 1.00 10.00 C ATOM 1250 C GLY A 97 9.270 -5.012 -18.222 1.00 10.00 C ATOM 1251 O GLY A 97 10.405 -4.502 -18.253 1.00 10.00 O ATOM 0 H GLY A 97 7.199 -6.500 -18.342 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.877 -5.987 -16.363 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.958 -6.869 -17.423 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -5.000 -16.842 5.752 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.411 -15.856 6.684 1.00 10.00 C ATOM 1258 C ASN B 357 -2.887 -15.825 6.553 1.00 10.00 C ATOM 1259 O ASN B 357 -2.170 -16.520 7.274 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.827 -16.183 8.123 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.174 -15.273 9.145 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -3.245 -15.681 9.846 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -4.637 -14.034 9.235 1.00 10.00 N ATOM 0 HA ASN B 357 -4.787 -14.866 6.427 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.910 -16.101 8.210 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.566 -17.218 8.345 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -4.223 -13.382 9.901 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -5.407 -13.733 8.638 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.398 -15.044 5.599 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.961 -14.921 5.387 1.00 10.00 C ATOM 1272 C ASN B 358 -0.548 -13.463 5.543 1.00 10.00 C ATOM 1273 O ASN B 358 -1.074 -12.593 4.850 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.619 -15.436 3.981 1.00 10.00 C ATOM 1275 CG ASN B 358 0.873 -15.545 3.711 1.00 10.00 C ATOM 1276 OD1 ASN B 358 1.698 -15.056 4.475 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.223 -16.181 2.605 1.00 10.00 N ATOM 0 H ASN B 358 -2.971 -14.489 4.963 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.418 -15.514 6.123 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -1.076 -16.416 3.843 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -1.064 -14.769 3.242 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.209 -16.278 2.363 1.00 10.00 H new ATOM 0 HD22 ASN B 358 0.507 -16.574 1.995 1.00 10.00 H new ATOM 1284 N ARG B 359 0.402 -13.196 6.438 1.00 10.00 N ATOM 1285 CA ARG B 359 0.848 -11.827 6.655 1.00 10.00 C ATOM 1286 C ARG B 359 2.349 -11.662 6.445 1.00 10.00 C ATOM 1287 O ARG B 359 3.161 -12.379 7.035 1.00 10.00 O ATOM 1288 CB ARG B 359 0.461 -11.342 8.063 1.00 10.00 C ATOM 1289 CG ARG B 359 1.033 -12.172 9.206 1.00 10.00 C ATOM 1290 CD ARG B 359 0.765 -11.519 10.559 1.00 10.00 C ATOM 1291 NE ARG B 359 1.495 -12.171 11.647 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.484 -11.764 12.919 1.00 10.00 C ATOM 1293 NH1 ARG B 359 0.746 -10.723 13.293 1.00 10.00 N ATOM 1294 NH2 ARG B 359 2.208 -12.413 13.824 1.00 10.00 N ATOM 0 H ARG B 359 0.868 -13.897 7.013 1.00 10.00 H new ATOM 0 HA ARG B 359 0.342 -11.214 5.909 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.793 -10.311 8.180 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.626 -11.338 8.144 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.593 -13.169 9.189 1.00 10.00 H new ATOM 0 HG3 ARG B 359 2.107 -12.295 9.066 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.048 -10.467 10.514 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -0.304 -11.553 10.771 1.00 10.00 H new ATOM 0 HE ARG B 359 2.052 -12.994 11.418 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.180 -10.226 12.605 1.00 10.00 H new ATOM 0 HH12 ARG B 359 0.746 -10.422 14.267 1.00 10.00 H new ATOM 0 HH21 ARG B 359 2.769 -13.218 13.546 1.00 10.00 H new ATOM 0 HH22 ARG B 359 2.203 -12.106 14.797 1.00 10.00 H new ATOM 1308 N ASP B 360 2.704 -10.719 5.588 1.00 10.00 N ATOM 1309 CA ASP B 360 4.098 -10.386 5.330 1.00 10.00 C ATOM 1310 C ASP B 360 4.284 -8.888 5.566 1.00 10.00 C ATOM 1311 O ASP B 360 3.534 -8.092 5.004 1.00 10.00 O ATOM 1312 CB ASP B 360 4.496 -10.770 3.897 1.00 10.00 C ATOM 1313 CG ASP B 360 5.957 -10.476 3.591 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.281 -10.158 2.424 1.00 10.00 O ATOM 1315 OD2 ASP B 360 6.797 -10.573 4.508 1.00 10.00 O ATOM 0 H ASP B 360 2.037 -10.163 5.052 1.00 10.00 H new ATOM 0 HA ASP B 360 4.744 -10.948 6.004 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.304 -11.832 3.744 1.00 10.00 H new ATOM 0 HB3 ASP B 360 3.866 -10.228 3.192 1.00 10.00 H new ATOM 1320 N PRO B 361 5.279 -8.463 6.375 1.00 10.00 N ATOM 1321 CA PRO B 361 5.498 -7.052 6.645 1.00 10.00 C ATOM 1322 C PRO B 361 6.789 -6.503 6.024 1.00 10.00 C ATOM 1323 O PRO B 361 7.879 -7.054 6.186 1.00 10.00 O ATOM 1324 CB PRO B 361 5.628 -7.097 8.175 1.00 10.00 C ATOM 1325 CG PRO B 361 6.324 -8.403 8.457 1.00 10.00 C ATOM 1326 CD PRO B 361 6.140 -9.284 7.234 1.00 10.00 C ATOM 0 HA PRO B 361 4.719 -6.407 6.238 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.205 -6.251 8.549 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.652 -7.055 8.658 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.383 -8.239 8.657 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.903 -8.880 9.342 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.091 -9.514 6.753 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.672 -10.235 7.486 1.00 10.00 H new ATOM 1334 N ILE B 362 6.632 -5.408 5.289 1.00 10.00 N ATOM 1335 CA ILE B 362 7.740 -4.743 4.618 1.00 10.00 C ATOM 1336 C ILE B 362 7.864 -3.307 5.116 1.00 10.00 C ATOM 1337 O ILE B 362 6.863 -2.611 5.290 1.00 10.00 O ATOM 1338 CB ILE B 362 7.589 -4.735 3.082 1.00 10.00 C ATOM 1339 CG1 ILE B 362 7.002 -6.057 2.581 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.936 -4.469 2.417 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.676 -6.036 1.103 1.00 10.00 C ATOM 0 H ILE B 362 5.730 -4.956 5.142 1.00 10.00 H new ATOM 0 HA ILE B 362 8.639 -5.310 4.858 1.00 10.00 H new ATOM 0 HB ILE B 362 6.900 -3.934 2.814 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.710 -6.861 2.780 1.00 10.00 H new ATOM 0 HG13 ILE B 362 6.097 -6.283 3.144 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.813 -4.466 1.334 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.317 -3.501 2.741 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.642 -5.250 2.700 1.00 10.00 H new ATOM 0 HD11 ILE B 362 6.264 -7.001 0.808 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.945 -5.252 0.903 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.584 -5.840 0.533 1.00 10.00 H new ATOM 1353 N VAL B 363 9.093 -2.875 5.359 1.00 10.00 N ATOM 1354 CA VAL B 363 9.354 -1.532 5.846 1.00 10.00 C ATOM 1355 C VAL B 363 10.078 -0.739 4.770 1.00 10.00 C ATOM 1356 O VAL B 363 11.025 -1.222 4.145 1.00 10.00 O ATOM 1357 CB VAL B 363 10.180 -1.540 7.149 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.326 -0.135 7.714 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.543 -2.465 8.174 1.00 10.00 C ATOM 0 H VAL B 363 9.930 -3.442 5.225 1.00 10.00 H new ATOM 0 HA VAL B 363 8.397 -1.062 6.074 1.00 10.00 H new ATOM 0 HB VAL B 363 11.177 -1.912 6.916 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.913 -0.171 8.632 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.831 0.499 6.986 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.339 0.275 7.930 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.137 -2.460 9.088 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.533 -2.121 8.396 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.502 -3.478 7.774 1.00 10.00 H new ATOM 1369 N ILE B 364 9.612 0.478 4.572 1.00 10.00 N ATOM 1370 CA ILE B 364 10.112 1.360 3.537 1.00 10.00 C ATOM 1371 C ILE B 364 10.810 2.573 4.128 1.00 10.00 C ATOM 1372 O ILE B 364 10.447 3.073 5.199 1.00 10.00 O ATOM 1373 CB ILE B 364 9.003 1.807 2.543 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.622 2.201 1.194 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.177 2.967 3.098 1.00 10.00 C ATOM 1376 CD1 ILE B 364 10.279 1.049 0.459 1.00 10.00 C ATOM 0 H ILE B 364 8.865 0.887 5.133 1.00 10.00 H new ATOM 0 HA ILE B 364 10.841 0.779 2.972 1.00 10.00 H new ATOM 0 HB ILE B 364 8.333 0.960 2.399 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.845 2.628 0.560 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.363 2.983 1.360 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.413 3.249 2.373 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.699 2.661 4.028 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.829 3.819 3.289 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.692 1.407 -0.484 1.00 10.00 H new ATOM 0 HD12 ILE B 364 11.080 0.635 1.072 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.538 0.275 0.259 1.00 10.00 H new HETATM 1388 N SEP B 365 11.838 3.007 3.430 1.00 10.00 N HETATM 1389 CA SEP B 365 12.638 4.135 3.838 1.00 10.00 C HETATM 1390 CB SEP B 365 14.129 3.836 3.665 1.00 10.00 C HETATM 1391 OG SEP B 365 14.372 3.116 2.460 1.00 10.00 O HETATM 1392 C SEP B 365 12.246 5.303 2.967 1.00 10.00 C HETATM 1393 O SEP B 365 12.069 5.170 1.755 1.00 10.00 O HETATM 1394 P SEP B 365 15.671 3.430 1.576 1.00 10.00 P HETATM 1395 O1P SEP B 365 16.796 2.515 1.830 1.00 10.00 O HETATM 1396 O2P SEP B 365 16.064 4.851 1.526 1.00 10.00 O HETATM 1397 O3P SEP B 365 15.236 3.098 0.077 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.691 4.770 3.654 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.488 3.258 4.516 1.00 10.00 H new HETATM 0 HA SEP B 365 12.465 4.355 4.891 1.00 10.00 H new HETATM 0 H SEP B 365 12.289 2.160 3.084 1.00 10.00 H new ATOM 1402 N ASP B 366 12.065 6.437 3.608 1.00 10.00 N ATOM 1403 CA ASP B 366 11.588 7.620 2.933 1.00 10.00 C ATOM 1404 C ASP B 366 12.666 8.686 2.866 1.00 10.00 C ATOM 1405 O ASP B 366 13.324 9.015 3.857 1.00 10.00 O ATOM 1406 CB ASP B 366 10.348 8.120 3.687 1.00 10.00 C ATOM 1407 CG ASP B 366 10.097 9.611 3.553 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.339 10.350 4.535 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.622 10.043 2.484 1.00 10.00 O ATOM 0 H ASP B 366 12.243 6.563 4.604 1.00 10.00 H new ATOM 0 HA ASP B 366 11.325 7.385 1.902 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.473 7.582 3.322 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.456 7.875 4.744 1.00 10.00 H new HETATM 1414 N SEP B 367 12.846 9.185 1.658 1.00 10.00 N HETATM 1415 CA SEP B 367 13.838 10.196 1.361 1.00 10.00 C HETATM 1416 CB SEP B 367 14.271 10.028 -0.094 1.00 10.00 C HETATM 1417 OG SEP B 367 14.439 8.648 -0.404 1.00 10.00 O HETATM 1418 C SEP B 367 13.283 11.599 1.617 1.00 10.00 C HETATM 1419 O SEP B 367 12.349 12.041 0.943 1.00 10.00 O HETATM 1420 P SEP B 367 14.297 8.135 -1.911 1.00 10.00 P HETATM 1421 O1P SEP B 367 14.145 9.212 -2.905 1.00 10.00 O HETATM 1422 O2P SEP B 367 15.292 7.109 -2.285 1.00 10.00 O HETATM 1423 O3P SEP B 367 12.904 7.360 -1.955 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.525 10.468 -0.756 1.00 10.00 H new HETATM 0 HB2 SEP B 367 15.205 10.563 -0.267 1.00 10.00 H new HETATM 0 HA SEP B 367 14.701 10.074 2.016 1.00 10.00 H new HETATM 0 H SEP B 367 12.561 8.523 0.936 1.00 10.00 H new ATOM 1428 N PRO B 368 13.834 12.304 2.623 1.00 10.00 N ATOM 1429 CA PRO B 368 13.403 13.660 2.971 1.00 10.00 C ATOM 1430 C PRO B 368 13.907 14.704 1.977 1.00 10.00 C ATOM 1431 O PRO B 368 13.339 15.812 1.940 1.00 10.00 O ATOM 1432 CB PRO B 368 14.031 13.888 4.348 1.00 10.00 C ATOM 1433 CG PRO B 368 15.233 13.010 4.372 1.00 10.00 C ATOM 1434 CD PRO B 368 14.910 11.820 3.510 1.00 10.00 C ATOM 0 HA PRO B 368 12.317 13.758 2.959 1.00 10.00 H new ATOM 0 HB2 PRO B 368 14.303 14.934 4.490 1.00 10.00 H new ATOM 0 HB3 PRO B 368 13.336 13.628 5.147 1.00 10.00 H new ATOM 0 HG2 PRO B 368 16.107 13.539 3.992 1.00 10.00 H new ATOM 0 HG3 PRO B 368 15.466 12.699 5.390 1.00 10.00 H new ATOM 0 HD2 PRO B 368 15.780 11.492 2.941 1.00 10.00 H new ATOM 0 HD3 PRO B 368 14.582 10.970 4.109 1.00 10.00 H new TER 1442 PRO B 368