USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 913 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 6 THR OG1 : rot 150:sc= -0.0258 USER MOD Set 1.2: A 38 HIS : no HD1:sc= -0.351 X(o=-0.38,f=-0.14) USER MOD Single : A 1 MET CE :methyl -120:sc= -0.181 (180deg=-1.2) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.838 (180deg=0.552) USER MOD Single : A 2 THR OG1 : rot 81:sc= 0.288 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.72! C(o=-2.7!,f=-6.8!) USER MOD Single : A 7 SER OG : rot -115:sc= 0.884 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.667 K(o=0.67,f=-0.011) USER MOD Single : A 10 MET CE :methyl -160:sc= -7.2! (180deg=-9.82!) USER MOD Single : A 13 THR OG1 : rot 173:sc= -0.578 USER MOD Single : A 18 GLN : amide:sc= -0.0837 K(o=-0.084,f=-2.7!) USER MOD Single : A 19 HIS : no HD1:sc= -1.99 K(o=-2,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.114 (180deg=-0.517) USER MOD Single : A 31 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 32 THR OG1 : rot 92:sc= -0.954 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 SER OG : rot 162:sc= -0.954 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0148 (180deg=-0.194) USER MOD Single : A 46 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.017) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -4.39! C(o=-4.4!,f=-7.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 58 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.99) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -51:sc= -2.31! USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 75 ASN : amide:sc= -1 K(o=-1,f=-0.044) USER MOD Single : A 79 ASN : amide:sc= -7! C(o=-7!,f=-13!) USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0102) USER MOD Single : A 84 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 86 ASN : amide:sc= -4.15! C(o=-4.2!,f=-8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.9) USER MOD Single : A 90 HIS : no HD1:sc= -0.755 K(o=-0.76,f=-0.095) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.219 (180deg=-0.781) USER MOD Single : A 99 THR OG1 : rot -110:sc= -2.26 USER MOD Single : A 100 SER OG : rot 180:sc=-0.00264 USER MOD Single : A 102 LYS NZ :NH3+ 154:sc= -0.235 (180deg=-0.873) USER MOD Single : A 105 ASN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.006 -0.524 -6.299 1.00 0.00 N ATOM 2 CA MET A 1 186.010 -0.688 -7.778 1.00 0.00 C ATOM 3 C MET A 1 185.082 -1.820 -8.211 1.00 0.00 C ATOM 4 O MET A 1 184.446 -1.747 -9.263 1.00 0.00 O ATOM 5 CB MET A 1 187.444 -0.973 -8.234 1.00 0.00 C ATOM 6 CG MET A 1 187.973 0.036 -9.242 1.00 0.00 C ATOM 7 SD MET A 1 189.585 0.702 -8.784 1.00 0.00 S ATOM 8 CE MET A 1 189.101 2.149 -7.845 1.00 0.00 C ATOM 0 H1 MET A 1 186.731 0.169 -6.025 1.00 0.00 H new ATOM 0 H2 MET A 1 185.072 -0.188 -5.989 1.00 0.00 H new ATOM 0 H3 MET A 1 186.213 -1.438 -5.848 1.00 0.00 H new ATOM 0 HA MET A 1 185.645 0.229 -8.241 1.00 0.00 H new ATOM 0 HB2 MET A 1 188.099 -0.981 -7.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.486 -1.970 -8.674 1.00 0.00 H new ATOM 0 HG2 MET A 1 188.046 -0.439 -10.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.260 0.855 -9.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 189.508 3.043 -8.318 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.014 2.217 -7.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.487 2.069 -6.829 1.00 0.00 H new ATOM 20 N THR A 2 185.010 -2.865 -7.393 1.00 0.00 N ATOM 21 CA THR A 2 184.160 -4.012 -7.693 1.00 0.00 C ATOM 22 C THR A 2 182.824 -3.904 -6.964 1.00 0.00 C ATOM 23 O THR A 2 182.667 -4.421 -5.858 1.00 0.00 O ATOM 24 CB THR A 2 184.864 -5.312 -7.296 1.00 0.00 C ATOM 25 OG1 THR A 2 186.245 -5.247 -7.606 1.00 0.00 O ATOM 26 CG2 THR A 2 184.297 -6.535 -7.982 1.00 0.00 C ATOM 0 H THR A 2 185.529 -2.941 -6.518 1.00 0.00 H new ATOM 0 HA THR A 2 183.970 -4.021 -8.766 1.00 0.00 H new ATOM 0 HB THR A 2 184.703 -5.412 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 2 186.716 -4.756 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.842 -7.421 -7.655 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.243 -6.641 -7.724 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.397 -6.425 -9.062 1.00 0.00 H new ATOM 34 N MET A 3 181.865 -3.229 -7.591 1.00 0.00 N ATOM 35 CA MET A 3 180.542 -3.052 -7.001 1.00 0.00 C ATOM 36 C MET A 3 179.921 -4.396 -6.633 1.00 0.00 C ATOM 37 O MET A 3 179.230 -5.015 -7.443 1.00 0.00 O ATOM 38 CB MET A 3 179.623 -2.302 -7.968 1.00 0.00 C ATOM 39 CG MET A 3 178.223 -2.074 -7.422 1.00 0.00 C ATOM 40 SD MET A 3 177.180 -1.135 -8.552 1.00 0.00 S ATOM 41 CE MET A 3 177.242 0.486 -7.797 1.00 0.00 C ATOM 0 H MET A 3 181.979 -2.796 -8.507 1.00 0.00 H new ATOM 0 HA MET A 3 180.658 -2.465 -6.090 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.072 -1.338 -8.209 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.554 -2.863 -8.900 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.756 -3.037 -7.218 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.290 -1.545 -6.471 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.642 1.183 -8.382 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.847 0.430 -6.783 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.275 0.833 -7.766 1.00 0.00 H new ATOM 51 N ASN A 4 180.172 -4.842 -5.406 1.00 0.00 N ATOM 52 CA ASN A 4 179.637 -6.112 -4.930 1.00 0.00 C ATOM 53 C ASN A 4 178.446 -5.885 -4.005 1.00 0.00 C ATOM 54 O ASN A 4 178.559 -5.207 -2.983 1.00 0.00 O ATOM 55 CB ASN A 4 180.723 -6.903 -4.200 1.00 0.00 C ATOM 56 CG ASN A 4 181.668 -7.604 -5.156 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.023 -7.065 -6.204 1.00 0.00 O ATOM 58 ND2 ASN A 4 182.082 -8.814 -4.797 1.00 0.00 N ATOM 0 H ASN A 4 180.742 -4.342 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 4 179.299 -6.685 -5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.292 -6.229 -3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.255 -7.641 -3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.720 -9.334 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.762 -9.223 -3.919 1.00 0.00 H new ATOM 65 N ILE A 5 177.302 -6.458 -4.368 1.00 0.00 N ATOM 66 CA ILE A 5 176.090 -6.321 -3.571 1.00 0.00 C ATOM 67 C ILE A 5 175.527 -7.686 -3.195 1.00 0.00 C ATOM 68 O ILE A 5 175.467 -8.594 -4.026 1.00 0.00 O ATOM 69 CB ILE A 5 175.010 -5.520 -4.324 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.607 -4.235 -4.902 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.847 -5.200 -3.397 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.635 -3.442 -5.745 1.00 0.00 C ATOM 0 H ILE A 5 177.190 -7.022 -5.210 1.00 0.00 H new ATOM 0 HA ILE A 5 176.364 -5.781 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 5 174.636 -6.127 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.960 -3.608 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.477 -4.489 -5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.092 -4.634 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.409 -6.128 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.205 -4.609 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.127 -2.545 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.300 -4.051 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.776 -3.157 -5.138 1.00 0.00 H new ATOM 84 N THR A 6 175.120 -7.829 -1.938 1.00 0.00 N ATOM 85 CA THR A 6 174.567 -9.091 -1.456 1.00 0.00 C ATOM 86 C THR A 6 173.537 -8.856 -0.355 1.00 0.00 C ATOM 87 O THR A 6 173.876 -8.830 0.826 1.00 0.00 O ATOM 88 CB THR A 6 175.688 -9.991 -0.931 1.00 0.00 C ATOM 89 OG1 THR A 6 176.940 -9.597 -1.466 1.00 0.00 O ATOM 90 CG2 THR A 6 175.486 -11.452 -1.264 1.00 0.00 C ATOM 0 H THR A 6 175.162 -7.090 -1.236 1.00 0.00 H new ATOM 0 HA THR A 6 174.070 -9.582 -2.293 1.00 0.00 H new ATOM 0 HB THR A 6 175.668 -9.876 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.651 -9.808 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.316 -12.035 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.552 -11.800 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.445 -11.576 -2.346 1.00 0.00 H new ATOM 98 N SER A 7 172.278 -8.690 -0.748 1.00 0.00 N ATOM 99 CA SER A 7 171.201 -8.465 0.210 1.00 0.00 C ATOM 100 C SER A 7 170.690 -9.790 0.770 1.00 0.00 C ATOM 101 O SER A 7 170.769 -10.825 0.106 1.00 0.00 O ATOM 102 CB SER A 7 170.056 -7.695 -0.448 1.00 0.00 C ATOM 103 OG SER A 7 170.408 -6.336 -0.645 1.00 0.00 O ATOM 0 H SER A 7 171.978 -8.707 -1.723 1.00 0.00 H new ATOM 0 HA SER A 7 171.596 -7.872 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.807 -8.153 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.165 -7.757 0.176 1.00 0.00 H new ATOM 0 HG SER A 7 169.835 -5.766 -0.090 1.00 0.00 H new ATOM 109 N LYS A 8 170.178 -9.757 1.996 1.00 0.00 N ATOM 110 CA LYS A 8 169.669 -10.961 2.643 1.00 0.00 C ATOM 111 C LYS A 8 168.146 -11.039 2.564 1.00 0.00 C ATOM 112 O LYS A 8 167.441 -10.302 3.253 1.00 0.00 O ATOM 113 CB LYS A 8 170.116 -11.005 4.109 1.00 0.00 C ATOM 114 CG LYS A 8 169.511 -12.153 4.905 1.00 0.00 C ATOM 115 CD LYS A 8 170.564 -13.170 5.310 1.00 0.00 C ATOM 116 CE LYS A 8 170.854 -14.151 4.186 1.00 0.00 C ATOM 117 NZ LYS A 8 172.315 -14.395 4.024 1.00 0.00 N ATOM 0 H LYS A 8 170.105 -8.911 2.561 1.00 0.00 H new ATOM 0 HA LYS A 8 170.080 -11.820 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.203 -11.084 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.849 -10.063 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.022 -11.760 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 8 168.741 -12.643 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 8 171.482 -12.653 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.225 -13.715 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 8 170.349 -15.095 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 8 170.445 -13.765 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 172.470 -15.069 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 172.795 -13.498 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 172.701 -14.788 4.906 1.00 0.00 H new ATOM 131 N GLN A 9 167.649 -11.952 1.734 1.00 0.00 N ATOM 132 CA GLN A 9 166.209 -12.152 1.575 1.00 0.00 C ATOM 133 C GLN A 9 165.550 -10.964 0.865 1.00 0.00 C ATOM 134 O GLN A 9 164.894 -11.137 -0.161 1.00 0.00 O ATOM 135 CB GLN A 9 165.571 -12.436 2.954 1.00 0.00 C ATOM 136 CG GLN A 9 164.349 -11.598 3.320 1.00 0.00 C ATOM 137 CD GLN A 9 164.321 -11.245 4.794 1.00 0.00 C ATOM 138 OE1 GLN A 9 163.386 -11.601 5.513 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.350 -10.540 5.252 1.00 0.00 N ATOM 0 H GLN A 9 168.224 -12.568 1.159 1.00 0.00 H new ATOM 0 HA GLN A 9 166.040 -13.018 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 9 165.287 -13.488 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 9 166.331 -12.285 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.347 -10.683 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.443 -12.146 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.103 -10.267 4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.387 -10.272 6.235 1.00 0.00 H new ATOM 148 N MET A 10 165.717 -9.765 1.414 1.00 0.00 N ATOM 149 CA MET A 10 165.127 -8.570 0.828 1.00 0.00 C ATOM 150 C MET A 10 165.995 -8.022 -0.300 1.00 0.00 C ATOM 151 O MET A 10 167.026 -7.397 -0.054 1.00 0.00 O ATOM 152 CB MET A 10 164.926 -7.502 1.901 1.00 0.00 C ATOM 153 CG MET A 10 164.287 -6.226 1.381 1.00 0.00 C ATOM 154 SD MET A 10 164.877 -4.760 2.244 1.00 0.00 S ATOM 155 CE MET A 10 165.622 -3.850 0.895 1.00 0.00 C ATOM 0 H MET A 10 166.256 -9.597 2.263 1.00 0.00 H new ATOM 0 HA MET A 10 164.159 -8.843 0.408 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.303 -7.912 2.696 1.00 0.00 H new ATOM 0 HB3 MET A 10 165.892 -7.259 2.345 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.497 -6.126 0.316 1.00 0.00 H new ATOM 0 HG3 MET A 10 163.204 -6.296 1.488 1.00 0.00 H new ATOM 0 HE1 MET A 10 166.325 -3.119 1.294 1.00 0.00 H new ATOM 0 HE2 MET A 10 166.150 -4.541 0.238 1.00 0.00 H new ATOM 0 HE3 MET A 10 164.845 -3.335 0.330 1.00 0.00 H new ATOM 165 N GLU A 11 165.568 -8.259 -1.536 1.00 0.00 N ATOM 166 CA GLU A 11 166.304 -7.788 -2.703 1.00 0.00 C ATOM 167 C GLU A 11 166.215 -6.271 -2.828 1.00 0.00 C ATOM 168 O GLU A 11 165.570 -5.607 -2.016 1.00 0.00 O ATOM 169 CB GLU A 11 165.763 -8.449 -3.972 1.00 0.00 C ATOM 170 CG GLU A 11 164.323 -8.074 -4.288 1.00 0.00 C ATOM 171 CD GLU A 11 164.152 -7.555 -5.703 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.752 -8.141 -6.628 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.416 -6.563 -5.885 1.00 0.00 O ATOM 0 H GLU A 11 164.716 -8.775 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 11 167.351 -8.062 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.396 -8.170 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.833 -9.532 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.685 -8.946 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 11 163.986 -7.314 -3.583 1.00 0.00 H new ATOM 180 N ILE A 12 166.869 -5.726 -3.851 1.00 0.00 N ATOM 181 CA ILE A 12 166.864 -4.286 -4.079 1.00 0.00 C ATOM 182 C ILE A 12 165.920 -3.912 -5.220 1.00 0.00 C ATOM 183 O ILE A 12 165.764 -4.664 -6.182 1.00 0.00 O ATOM 184 CB ILE A 12 168.277 -3.760 -4.404 1.00 0.00 C ATOM 185 CG1 ILE A 12 169.312 -4.395 -3.472 1.00 0.00 C ATOM 186 CG2 ILE A 12 168.316 -2.244 -4.291 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.028 -5.580 -4.081 1.00 0.00 C ATOM 0 H ILE A 12 167.408 -6.260 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 12 166.517 -3.823 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 12 168.523 -4.036 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.048 -3.641 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 12 168.816 -4.713 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 12 169.320 -1.888 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 12 167.605 -1.808 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 12 168.052 -1.948 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.746 -5.979 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 12 169.302 -6.352 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 12 170.553 -5.264 -4.983 1.00 0.00 H new ATOM 199 N THR A 13 165.294 -2.744 -5.103 1.00 0.00 N ATOM 200 CA THR A 13 164.365 -2.265 -6.122 1.00 0.00 C ATOM 201 C THR A 13 165.051 -1.257 -7.044 1.00 0.00 C ATOM 202 O THR A 13 166.050 -0.647 -6.669 1.00 0.00 O ATOM 203 CB THR A 13 163.142 -1.620 -5.460 1.00 0.00 C ATOM 204 OG1 THR A 13 163.424 -0.287 -5.075 1.00 0.00 O ATOM 205 CG2 THR A 13 162.665 -2.361 -4.229 1.00 0.00 C ATOM 0 H THR A 13 165.413 -2.111 -4.312 1.00 0.00 H new ATOM 0 HA THR A 13 164.039 -3.117 -6.719 1.00 0.00 H new ATOM 0 HB THR A 13 162.355 -1.656 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 13 162.602 0.143 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 13 161.797 -1.851 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.390 -3.380 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 13 163.463 -2.386 -3.487 1.00 0.00 H new ATOM 213 N PRO A 14 164.525 -1.066 -8.267 1.00 0.00 N ATOM 214 CA PRO A 14 165.097 -0.124 -9.235 1.00 0.00 C ATOM 215 C PRO A 14 165.297 1.267 -8.637 1.00 0.00 C ATOM 216 O PRO A 14 166.267 1.958 -8.958 1.00 0.00 O ATOM 217 CB PRO A 14 164.060 -0.078 -10.370 1.00 0.00 C ATOM 218 CG PRO A 14 162.845 -0.762 -9.832 1.00 0.00 C ATOM 219 CD PRO A 14 163.338 -1.740 -8.806 1.00 0.00 C ATOM 0 HA PRO A 14 166.086 -0.440 -9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.837 0.950 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.432 -0.583 -11.261 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.158 -0.043 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.301 -1.272 -10.627 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.592 -1.928 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.586 -2.704 -9.251 1.00 0.00 H new ATOM 227 N ALA A 15 164.382 1.670 -7.766 1.00 0.00 N ATOM 228 CA ALA A 15 164.466 2.974 -7.123 1.00 0.00 C ATOM 229 C ALA A 15 165.543 2.974 -6.043 1.00 0.00 C ATOM 230 O ALA A 15 166.488 3.765 -6.089 1.00 0.00 O ATOM 231 CB ALA A 15 163.119 3.357 -6.528 1.00 0.00 C ATOM 0 H ALA A 15 163.574 1.113 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 15 164.738 3.712 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.197 4.334 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.370 3.398 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 162.824 2.614 -5.787 1.00 0.00 H new ATOM 237 N ILE A 16 165.393 2.080 -5.073 1.00 0.00 N ATOM 238 CA ILE A 16 166.350 1.971 -3.981 1.00 0.00 C ATOM 239 C ILE A 16 167.749 1.660 -4.511 1.00 0.00 C ATOM 240 O ILE A 16 168.739 2.231 -4.053 1.00 0.00 O ATOM 241 CB ILE A 16 165.941 0.874 -2.977 1.00 0.00 C ATOM 242 CG1 ILE A 16 164.505 1.103 -2.496 1.00 0.00 C ATOM 243 CG2 ILE A 16 166.902 0.844 -1.796 1.00 0.00 C ATOM 244 CD1 ILE A 16 164.028 0.064 -1.505 1.00 0.00 C ATOM 0 H ILE A 16 164.617 1.420 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 16 166.358 2.934 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 16 165.988 -0.092 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 16 164.437 2.089 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 16 163.838 1.105 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 16 166.597 0.064 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 16 167.911 0.637 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 16 166.887 1.809 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 16 163.004 0.288 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 16 164.064 -0.923 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 16 164.672 0.077 -0.626 1.00 0.00 H new ATOM 256 N ARG A 17 167.819 0.748 -5.478 1.00 0.00 N ATOM 257 CA ARG A 17 169.094 0.355 -6.069 1.00 0.00 C ATOM 258 C ARG A 17 169.776 1.544 -6.742 1.00 0.00 C ATOM 259 O ARG A 17 170.990 1.709 -6.644 1.00 0.00 O ATOM 260 CB ARG A 17 168.890 -0.788 -7.074 1.00 0.00 C ATOM 261 CG ARG A 17 168.352 -0.342 -8.424 1.00 0.00 C ATOM 262 CD ARG A 17 169.475 0.053 -9.370 1.00 0.00 C ATOM 263 NE ARG A 17 169.289 -0.517 -10.703 1.00 0.00 N ATOM 264 CZ ARG A 17 170.283 -0.965 -11.469 1.00 0.00 C ATOM 265 NH1 ARG A 17 171.544 -0.885 -11.059 1.00 0.00 N ATOM 266 NH2 ARG A 17 170.014 -1.486 -12.658 1.00 0.00 N ATOM 0 H ARG A 17 167.008 0.268 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 17 169.744 0.003 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 17 169.841 -1.298 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.203 -1.516 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 17 167.768 -1.148 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 17 167.677 0.503 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 17 169.523 1.139 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 17 170.429 -0.282 -8.962 1.00 0.00 H new ATOM 0 HE ARG A 17 168.339 -0.575 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.760 -0.477 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 17 172.297 -1.231 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 17 169.049 -1.543 -12.983 1.00 0.00 H new ATOM 0 HH22 ARG A 17 170.772 -1.830 -13.247 1.00 0.00 H new ATOM 280 N GLN A 18 168.986 2.376 -7.419 1.00 0.00 N ATOM 281 CA GLN A 18 169.526 3.551 -8.094 1.00 0.00 C ATOM 282 C GLN A 18 170.224 4.461 -7.089 1.00 0.00 C ATOM 283 O GLN A 18 171.292 5.010 -7.363 1.00 0.00 O ATOM 284 CB GLN A 18 168.412 4.315 -8.810 1.00 0.00 C ATOM 285 CG GLN A 18 168.922 5.371 -9.776 1.00 0.00 C ATOM 286 CD GLN A 18 169.281 4.794 -11.132 1.00 0.00 C ATOM 287 OE1 GLN A 18 169.833 3.699 -11.227 1.00 0.00 O ATOM 288 NE2 GLN A 18 168.971 5.534 -12.189 1.00 0.00 N ATOM 0 H GLN A 18 167.977 2.258 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 18 170.253 3.221 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.789 3.606 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 18 167.774 4.793 -8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.161 6.141 -9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.799 5.857 -9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.513 6.437 -12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.190 5.200 -13.127 1.00 0.00 H new ATOM 297 N HIS A 19 169.611 4.607 -5.920 1.00 0.00 N ATOM 298 CA HIS A 19 170.164 5.438 -4.856 1.00 0.00 C ATOM 299 C HIS A 19 171.535 4.926 -4.426 1.00 0.00 C ATOM 300 O HIS A 19 172.515 5.670 -4.421 1.00 0.00 O ATOM 301 CB HIS A 19 169.213 5.444 -3.661 1.00 0.00 C ATOM 302 CG HIS A 19 169.466 6.547 -2.680 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.133 7.862 -2.922 1.00 0.00 N ATOM 304 CD2 HIS A 19 170.002 6.520 -1.436 1.00 0.00 C ATOM 305 CE1 HIS A 19 169.453 8.596 -1.870 1.00 0.00 C ATOM 306 NE2 HIS A 19 169.981 7.806 -0.955 1.00 0.00 N ATOM 0 H HIS A 19 168.726 4.158 -5.684 1.00 0.00 H new ATOM 0 HA HIS A 19 170.280 6.454 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.189 5.526 -4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 19 169.292 4.488 -3.144 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.376 5.649 -0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 19 169.307 9.662 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 19 170.319 8.102 -0.039 1.00 0.00 H new ATOM 315 N VAL A 20 171.589 3.647 -4.064 1.00 0.00 N ATOM 316 CA VAL A 20 172.835 3.026 -3.626 1.00 0.00 C ATOM 317 C VAL A 20 173.933 3.193 -4.671 1.00 0.00 C ATOM 318 O VAL A 20 175.100 3.391 -4.334 1.00 0.00 O ATOM 319 CB VAL A 20 172.640 1.526 -3.338 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.876 0.944 -2.671 1.00 0.00 C ATOM 321 CG2 VAL A 20 171.407 1.304 -2.475 1.00 0.00 C ATOM 0 H VAL A 20 170.784 3.021 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 20 173.134 3.531 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 20 172.490 1.010 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.719 -0.117 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 20 174.737 1.068 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.060 1.463 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 20 171.285 0.238 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 20 171.525 1.833 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 20 170.526 1.681 -2.995 1.00 0.00 H new ATOM 331 N ALA A 21 173.552 3.116 -5.943 1.00 0.00 N ATOM 332 CA ALA A 21 174.507 3.264 -7.035 1.00 0.00 C ATOM 333 C ALA A 21 175.193 4.624 -6.974 1.00 0.00 C ATOM 334 O ALA A 21 176.414 4.722 -7.103 1.00 0.00 O ATOM 335 CB ALA A 21 173.810 3.077 -8.374 1.00 0.00 C ATOM 0 H ALA A 21 172.591 2.952 -6.242 1.00 0.00 H new ATOM 0 HA ALA A 21 175.271 2.494 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.535 3.190 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.370 2.081 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.026 3.826 -8.484 1.00 0.00 H new ATOM 341 N ASP A 22 174.399 5.670 -6.773 1.00 0.00 N ATOM 342 CA ASP A 22 174.927 7.026 -6.692 1.00 0.00 C ATOM 343 C ASP A 22 175.729 7.221 -5.409 1.00 0.00 C ATOM 344 O ASP A 22 176.741 7.923 -5.397 1.00 0.00 O ATOM 345 CB ASP A 22 173.787 8.044 -6.751 1.00 0.00 C ATOM 346 CG ASP A 22 174.285 9.460 -6.962 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.659 9.794 -8.106 1.00 0.00 O ATOM 348 OD2 ASP A 22 174.300 10.236 -5.982 1.00 0.00 O ATOM 0 H ASP A 22 173.387 5.604 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 22 175.590 7.182 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.107 7.777 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.214 7.998 -5.825 1.00 0.00 H new ATOM 353 N ARG A 23 175.270 6.596 -4.330 1.00 0.00 N ATOM 354 CA ARG A 23 175.943 6.702 -3.040 1.00 0.00 C ATOM 355 C ARG A 23 177.354 6.124 -3.110 1.00 0.00 C ATOM 356 O ARG A 23 178.313 6.749 -2.658 1.00 0.00 O ATOM 357 CB ARG A 23 175.137 5.976 -1.962 1.00 0.00 C ATOM 358 CG ARG A 23 175.552 6.332 -0.543 1.00 0.00 C ATOM 359 CD ARG A 23 175.585 7.837 -0.330 1.00 0.00 C ATOM 360 NE ARG A 23 174.395 8.494 -0.868 1.00 0.00 N ATOM 361 CZ ARG A 23 174.420 9.623 -1.577 1.00 0.00 C ATOM 362 NH1 ARG A 23 175.568 10.234 -1.841 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.286 10.148 -2.021 1.00 0.00 N ATOM 0 H ARG A 23 174.435 6.011 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 23 176.016 7.759 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 23 174.080 6.210 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.244 4.901 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.857 5.879 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.537 5.913 -0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 23 175.666 8.050 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 23 176.474 8.251 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 23 173.489 8.062 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 23 176.445 9.841 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 23 175.573 11.097 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 23 172.398 9.688 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 23 173.302 11.012 -2.564 1.00 0.00 H new ATOM 377 N LEU A 24 177.471 4.929 -3.680 1.00 0.00 N ATOM 378 CA LEU A 24 178.764 4.266 -3.808 1.00 0.00 C ATOM 379 C LEU A 24 179.741 5.117 -4.610 1.00 0.00 C ATOM 380 O LEU A 24 180.856 5.390 -4.166 1.00 0.00 O ATOM 381 CB LEU A 24 178.599 2.900 -4.480 1.00 0.00 C ATOM 382 CG LEU A 24 179.594 1.821 -4.038 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.945 2.428 -3.684 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.033 1.041 -2.861 1.00 0.00 C ATOM 0 H LEU A 24 176.686 4.400 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 24 179.168 4.128 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.589 2.539 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.689 3.032 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 24 179.746 1.137 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.629 1.638 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.353 2.941 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.821 3.141 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 24 179.749 0.278 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.850 1.720 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.097 0.565 -3.153 1.00 0.00 H new ATOM 396 N ALA A 25 179.315 5.531 -5.801 1.00 0.00 N ATOM 397 CA ALA A 25 180.155 6.346 -6.671 1.00 0.00 C ATOM 398 C ALA A 25 180.604 7.624 -5.970 1.00 0.00 C ATOM 399 O ALA A 25 181.735 8.076 -6.149 1.00 0.00 O ATOM 400 CB ALA A 25 179.413 6.677 -7.956 1.00 0.00 C ATOM 0 H ALA A 25 178.395 5.315 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 25 181.047 5.770 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.050 7.286 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.153 5.754 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.503 7.229 -7.719 1.00 0.00 H new ATOM 406 N LYS A 26 179.714 8.205 -5.171 1.00 0.00 N ATOM 407 CA LYS A 26 180.022 9.432 -4.447 1.00 0.00 C ATOM 408 C LYS A 26 181.256 9.257 -3.566 1.00 0.00 C ATOM 409 O LYS A 26 182.240 9.985 -3.707 1.00 0.00 O ATOM 410 CB LYS A 26 178.826 9.862 -3.594 1.00 0.00 C ATOM 411 CG LYS A 26 178.184 11.158 -4.061 1.00 0.00 C ATOM 412 CD LYS A 26 179.181 12.306 -4.058 1.00 0.00 C ATOM 413 CE LYS A 26 179.075 13.137 -2.789 1.00 0.00 C ATOM 414 NZ LYS A 26 180.247 12.937 -1.892 1.00 0.00 N ATOM 0 H LYS A 26 178.774 7.845 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 26 180.234 10.209 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.077 9.070 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.150 9.978 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 26 177.783 11.025 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 26 177.343 11.403 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 26 180.192 11.910 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 179.007 12.942 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.995 14.192 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 26 178.162 12.871 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 180.135 13.521 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 180.309 11.935 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 181.117 13.215 -2.390 1.00 0.00 H new ATOM 428 N LEU A 27 181.200 8.288 -2.657 1.00 0.00 N ATOM 429 CA LEU A 27 182.314 8.019 -1.753 1.00 0.00 C ATOM 430 C LEU A 27 183.603 7.754 -2.528 1.00 0.00 C ATOM 431 O LEU A 27 184.701 7.909 -1.995 1.00 0.00 O ATOM 432 CB LEU A 27 181.989 6.823 -0.851 1.00 0.00 C ATOM 433 CG LEU A 27 182.164 7.075 0.647 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.476 5.987 1.454 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.641 7.153 1.006 1.00 0.00 C ATOM 0 H LEU A 27 180.395 7.676 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 27 182.465 8.904 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.959 6.518 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.625 5.986 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 27 181.700 8.030 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.611 6.183 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.412 5.978 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.911 5.019 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.746 7.333 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.129 6.213 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.107 7.969 0.453 1.00 0.00 H new ATOM 447 N GLU A 28 183.464 7.351 -3.787 1.00 0.00 N ATOM 448 CA GLU A 28 184.620 7.065 -4.628 1.00 0.00 C ATOM 449 C GLU A 28 185.479 8.313 -4.834 1.00 0.00 C ATOM 450 O GLU A 28 186.641 8.217 -5.229 1.00 0.00 O ATOM 451 CB GLU A 28 184.163 6.516 -5.983 1.00 0.00 C ATOM 452 CG GLU A 28 184.862 5.226 -6.383 1.00 0.00 C ATOM 453 CD GLU A 28 185.219 5.190 -7.857 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.694 6.029 -8.617 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.025 4.320 -8.249 1.00 0.00 O ATOM 0 H GLU A 28 182.563 7.215 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 28 185.227 6.315 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.087 6.342 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.342 7.269 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.769 5.110 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 28 184.217 4.379 -6.148 1.00 0.00 H new ATOM 462 N LYS A 29 184.901 9.483 -4.574 1.00 0.00 N ATOM 463 CA LYS A 29 185.619 10.742 -4.742 1.00 0.00 C ATOM 464 C LYS A 29 186.464 11.072 -3.515 1.00 0.00 C ATOM 465 O LYS A 29 187.434 11.827 -3.607 1.00 0.00 O ATOM 466 CB LYS A 29 184.635 11.880 -5.021 1.00 0.00 C ATOM 467 CG LYS A 29 183.820 11.678 -6.289 1.00 0.00 C ATOM 468 CD LYS A 29 184.715 11.515 -7.507 1.00 0.00 C ATOM 469 CE LYS A 29 185.566 12.752 -7.741 1.00 0.00 C ATOM 470 NZ LYS A 29 184.766 14.004 -7.632 1.00 0.00 N ATOM 0 H LYS A 29 183.940 9.585 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 29 186.291 10.630 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 29 183.956 11.979 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.187 12.817 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 29 183.188 10.797 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 29 183.156 12.530 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.361 10.648 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 29 184.102 11.322 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 29 186.379 12.776 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 29 186.022 12.697 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 185.223 14.757 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 183.808 13.837 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.709 14.294 -6.635 1.00 0.00 H new ATOM 484 N TRP A 30 186.103 10.504 -2.368 1.00 0.00 N ATOM 485 CA TRP A 30 186.843 10.743 -1.134 1.00 0.00 C ATOM 486 C TRP A 30 188.314 10.375 -1.316 1.00 0.00 C ATOM 487 O TRP A 30 188.761 10.104 -2.429 1.00 0.00 O ATOM 488 CB TRP A 30 186.237 9.929 0.013 1.00 0.00 C ATOM 489 CG TRP A 30 185.316 10.725 0.887 1.00 0.00 C ATOM 490 CD1 TRP A 30 183.954 10.781 0.807 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.690 11.578 1.976 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.457 11.616 1.778 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.504 12.118 2.508 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.911 11.939 2.553 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.504 12.997 3.589 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.909 12.812 3.625 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.712 13.331 4.134 1.00 0.00 C ATOM 0 H TRP A 30 185.305 9.877 -2.268 1.00 0.00 H new ATOM 0 HA TRP A 30 186.775 11.803 -0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.690 9.082 -0.402 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.042 9.520 0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.354 10.246 0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.471 11.828 1.931 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.839 11.543 2.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.582 13.400 3.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.847 13.099 4.078 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.744 14.009 4.974 1.00 0.00 H new ATOM 508 N GLN A 31 189.063 10.360 -0.218 1.00 0.00 N ATOM 509 CA GLN A 31 190.480 10.016 -0.271 1.00 0.00 C ATOM 510 C GLN A 31 190.672 8.501 -0.226 1.00 0.00 C ATOM 511 O GLN A 31 191.539 7.992 0.486 1.00 0.00 O ATOM 512 CB GLN A 31 191.225 10.672 0.891 1.00 0.00 C ATOM 513 CG GLN A 31 191.882 11.993 0.525 1.00 0.00 C ATOM 514 CD GLN A 31 190.916 12.968 -0.117 1.00 0.00 C ATOM 515 OE1 GLN A 31 190.978 13.219 -1.321 1.00 0.00 O ATOM 516 NE2 GLN A 31 190.014 13.525 0.683 1.00 0.00 N ATOM 0 H GLN A 31 188.715 10.581 0.715 1.00 0.00 H new ATOM 0 HA GLN A 31 190.887 10.388 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.527 10.838 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.988 9.985 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.305 12.445 1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 31 192.710 11.805 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 31 189.997 13.289 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 189.338 14.189 0.305 1.00 0.00 H new ATOM 525 N THR A 32 189.855 7.788 -0.990 1.00 0.00 N ATOM 526 CA THR A 32 189.927 6.334 -1.041 1.00 0.00 C ATOM 527 C THR A 32 189.549 5.826 -2.430 1.00 0.00 C ATOM 528 O THR A 32 188.740 6.440 -3.126 1.00 0.00 O ATOM 529 CB THR A 32 189.005 5.722 0.019 1.00 0.00 C ATOM 530 OG1 THR A 32 188.250 6.727 0.672 1.00 0.00 O ATOM 531 CG2 THR A 32 189.751 4.947 1.083 1.00 0.00 C ATOM 0 H THR A 32 189.133 8.195 -1.585 1.00 0.00 H new ATOM 0 HA THR A 32 190.953 6.030 -0.832 1.00 0.00 H new ATOM 0 HB THR A 32 188.358 5.034 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 32 187.395 6.848 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 189.040 4.540 1.802 1.00 0.00 H new ATOM 0 HG22 THR A 32 190.304 4.131 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.447 5.611 1.596 1.00 0.00 H new ATOM 539 N HIS A 33 190.142 4.706 -2.831 1.00 0.00 N ATOM 540 CA HIS A 33 189.870 4.124 -4.141 1.00 0.00 C ATOM 541 C HIS A 33 188.850 2.993 -4.040 1.00 0.00 C ATOM 542 O HIS A 33 188.048 2.787 -4.951 1.00 0.00 O ATOM 543 CB HIS A 33 191.163 3.603 -4.771 1.00 0.00 C ATOM 544 CG HIS A 33 192.332 4.524 -4.597 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.503 5.671 -5.343 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.390 4.465 -3.754 1.00 0.00 C ATOM 547 CE1 HIS A 33 193.616 6.276 -4.967 1.00 0.00 C ATOM 548 NE2 HIS A 33 194.172 5.564 -4.005 1.00 0.00 N ATOM 0 H HIS A 33 190.813 4.184 -2.268 1.00 0.00 H new ATOM 0 HA HIS A 33 189.453 4.907 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.406 2.635 -4.332 1.00 0.00 H new ATOM 0 HB3 HIS A 33 190.997 3.438 -5.836 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.582 3.696 -3.021 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.004 7.196 -5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.042 5.794 -3.526 1.00 0.00 H new ATOM 557 N LEU A 34 188.889 2.263 -2.929 1.00 0.00 N ATOM 558 CA LEU A 34 187.971 1.151 -2.710 1.00 0.00 C ATOM 559 C LEU A 34 188.179 0.062 -3.755 1.00 0.00 C ATOM 560 O LEU A 34 188.139 0.323 -4.957 1.00 0.00 O ATOM 561 CB LEU A 34 186.518 1.634 -2.741 1.00 0.00 C ATOM 562 CG LEU A 34 186.182 2.747 -1.748 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.703 2.408 -0.358 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.757 4.068 -2.226 1.00 0.00 C ATOM 0 H LEU A 34 189.547 2.422 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 34 188.181 0.734 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.290 1.985 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.865 0.784 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 34 185.098 2.840 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.452 3.214 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.245 1.481 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.786 2.286 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.511 4.852 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.840 3.983 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.333 4.318 -3.199 1.00 0.00 H new ATOM 576 N ILE A 35 188.406 -1.158 -3.287 1.00 0.00 N ATOM 577 CA ILE A 35 188.628 -2.291 -4.182 1.00 0.00 C ATOM 578 C ILE A 35 187.483 -3.300 -4.105 1.00 0.00 C ATOM 579 O ILE A 35 186.880 -3.643 -5.122 1.00 0.00 O ATOM 580 CB ILE A 35 189.961 -3.013 -3.878 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.370 -2.812 -2.415 1.00 0.00 C ATOM 582 CG2 ILE A 35 191.056 -2.516 -4.812 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.726 -3.394 -2.076 1.00 0.00 C ATOM 0 H ILE A 35 188.442 -1.391 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 35 188.674 -1.879 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 35 189.818 -4.081 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.377 -1.745 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 35 189.618 -3.267 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.989 -3.033 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 35 190.771 -2.715 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 35 191.193 -1.444 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.947 -3.213 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.719 -4.467 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.490 -2.921 -2.694 1.00 0.00 H new ATOM 595 N ASN A 36 187.196 -3.779 -2.898 1.00 0.00 N ATOM 596 CA ASN A 36 186.129 -4.757 -2.702 1.00 0.00 C ATOM 597 C ASN A 36 184.949 -4.156 -1.939 1.00 0.00 C ATOM 598 O ASN A 36 184.727 -4.479 -0.772 1.00 0.00 O ATOM 599 CB ASN A 36 186.670 -5.975 -1.949 1.00 0.00 C ATOM 600 CG ASN A 36 186.031 -7.271 -2.408 1.00 0.00 C ATOM 601 OD1 ASN A 36 184.848 -7.306 -2.747 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.811 -8.346 -2.415 1.00 0.00 N ATOM 0 H ASN A 36 187.684 -3.508 -2.044 1.00 0.00 H new ATOM 0 HA ASN A 36 185.771 -5.063 -3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.749 -6.036 -2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.495 -5.845 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 36 186.435 -9.247 -2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 36 187.786 -8.270 -2.126 1.00 0.00 H new ATOM 609 N PRO A 37 184.172 -3.271 -2.588 1.00 0.00 N ATOM 610 CA PRO A 37 183.013 -2.632 -1.961 1.00 0.00 C ATOM 611 C PRO A 37 181.811 -3.567 -1.866 1.00 0.00 C ATOM 612 O PRO A 37 181.099 -3.777 -2.847 1.00 0.00 O ATOM 613 CB PRO A 37 182.708 -1.470 -2.904 1.00 0.00 C ATOM 614 CG PRO A 37 183.151 -1.959 -4.238 1.00 0.00 C ATOM 615 CD PRO A 37 184.359 -2.822 -3.983 1.00 0.00 C ATOM 0 HA PRO A 37 183.218 -2.331 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.646 -1.223 -2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.245 -0.568 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.361 -2.529 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.398 -1.126 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.404 -3.664 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.286 -2.261 -4.104 1.00 0.00 H new ATOM 623 N HIS A 38 181.591 -4.125 -0.680 1.00 0.00 N ATOM 624 CA HIS A 38 180.474 -5.034 -0.459 1.00 0.00 C ATOM 625 C HIS A 38 179.273 -4.288 0.113 1.00 0.00 C ATOM 626 O HIS A 38 179.382 -3.613 1.136 1.00 0.00 O ATOM 627 CB HIS A 38 180.889 -6.163 0.487 1.00 0.00 C ATOM 628 CG HIS A 38 180.676 -7.532 -0.083 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.508 -8.598 0.187 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.718 -8.006 -0.915 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.070 -9.667 -0.453 1.00 0.00 C ATOM 632 NE2 HIS A 38 179.986 -9.335 -1.129 1.00 0.00 N ATOM 0 H HIS A 38 182.172 -3.963 0.143 1.00 0.00 H new ATOM 0 HA HIS A 38 180.188 -5.462 -1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.942 -6.044 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.325 -6.073 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.896 -7.443 -1.332 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.522 -10.647 -0.428 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.437 -9.964 -1.715 1.00 0.00 H new ATOM 641 N ILE A 39 178.131 -4.413 -0.556 1.00 0.00 N ATOM 642 CA ILE A 39 176.910 -3.746 -0.114 1.00 0.00 C ATOM 643 C ILE A 39 175.824 -4.761 0.232 1.00 0.00 C ATOM 644 O ILE A 39 175.258 -5.405 -0.652 1.00 0.00 O ATOM 645 CB ILE A 39 176.375 -2.783 -1.193 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.456 -1.774 -1.588 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.127 -2.063 -0.697 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.809 -0.801 -0.483 1.00 0.00 C ATOM 0 H ILE A 39 178.025 -4.969 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 39 177.165 -3.174 0.778 1.00 0.00 H new ATOM 0 HB ILE A 39 176.106 -3.366 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.355 -2.315 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.118 -1.214 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.764 -1.388 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.354 -2.795 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.369 -1.491 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.581 -0.116 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.922 -0.234 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.178 -1.351 0.382 1.00 0.00 H new ATOM 660 N ILE A 40 175.535 -4.895 1.523 1.00 0.00 N ATOM 661 CA ILE A 40 174.513 -5.826 1.987 1.00 0.00 C ATOM 662 C ILE A 40 173.293 -5.076 2.515 1.00 0.00 C ATOM 663 O ILE A 40 173.324 -4.513 3.610 1.00 0.00 O ATOM 664 CB ILE A 40 175.059 -6.753 3.094 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.238 -7.570 2.564 1.00 0.00 C ATOM 666 CG2 ILE A 40 173.963 -7.676 3.614 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.587 -7.003 2.949 1.00 0.00 C ATOM 0 H ILE A 40 175.995 -4.370 2.267 1.00 0.00 H new ATOM 0 HA ILE A 40 174.220 -6.434 1.131 1.00 0.00 H new ATOM 0 HB ILE A 40 175.405 -6.135 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.161 -8.590 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.173 -7.625 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.370 -8.321 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.149 -7.079 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.586 -8.290 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.377 -7.633 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.685 -5.993 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.673 -6.974 4.035 1.00 0.00 H new ATOM 679 N LEU A 41 172.222 -5.066 1.728 1.00 0.00 N ATOM 680 CA LEU A 41 170.996 -4.377 2.114 1.00 0.00 C ATOM 681 C LEU A 41 169.880 -5.375 2.414 1.00 0.00 C ATOM 682 O LEU A 41 169.242 -5.905 1.505 1.00 0.00 O ATOM 683 CB LEU A 41 170.572 -3.419 1.001 1.00 0.00 C ATOM 684 CG LEU A 41 169.156 -2.849 1.127 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.208 -1.359 1.421 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.362 -3.122 -0.143 1.00 0.00 C ATOM 0 H LEU A 41 172.178 -5.527 0.819 1.00 0.00 H new ATOM 0 HA LEU A 41 171.187 -3.807 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.278 -2.589 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.652 -3.940 0.047 1.00 0.00 H new ATOM 0 HG LEU A 41 168.653 -3.343 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.194 -0.970 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.742 -1.191 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.726 -0.846 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.358 -2.711 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.860 -2.653 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.299 -4.198 -0.309 1.00 0.00 H new ATOM 698 N SER A 42 169.662 -5.633 3.699 1.00 0.00 N ATOM 699 CA SER A 42 168.637 -6.576 4.133 1.00 0.00 C ATOM 700 C SER A 42 167.518 -5.869 4.895 1.00 0.00 C ATOM 701 O SER A 42 167.637 -4.694 5.245 1.00 0.00 O ATOM 702 CB SER A 42 169.261 -7.653 5.019 1.00 0.00 C ATOM 703 OG SER A 42 170.556 -8.000 4.562 1.00 0.00 O ATOM 0 H SER A 42 170.184 -5.200 4.461 1.00 0.00 H new ATOM 0 HA SER A 42 168.206 -7.036 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.318 -7.295 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.624 -8.538 5.025 1.00 0.00 H new ATOM 0 HG SER A 42 171.044 -8.457 5.278 1.00 0.00 H new ATOM 709 N LYS A 43 166.438 -6.596 5.155 1.00 0.00 N ATOM 710 CA LYS A 43 165.299 -6.050 5.885 1.00 0.00 C ATOM 711 C LYS A 43 165.198 -6.679 7.270 1.00 0.00 C ATOM 712 O LYS A 43 164.831 -7.848 7.404 1.00 0.00 O ATOM 713 CB LYS A 43 164.002 -6.288 5.109 1.00 0.00 C ATOM 714 CG LYS A 43 163.079 -5.081 5.084 1.00 0.00 C ATOM 715 CD LYS A 43 161.742 -5.384 5.741 1.00 0.00 C ATOM 716 CE LYS A 43 160.744 -4.260 5.515 1.00 0.00 C ATOM 717 NZ LYS A 43 160.311 -4.178 4.092 1.00 0.00 N ATOM 0 H LYS A 43 166.326 -7.569 4.870 1.00 0.00 H new ATOM 0 HA LYS A 43 165.451 -4.977 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.247 -6.569 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.472 -7.131 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.556 -4.247 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.916 -4.769 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.341 -6.315 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.887 -5.534 6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 43 159.873 -4.415 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 43 161.192 -3.312 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.450 -3.599 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.066 -3.744 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.114 -5.134 3.733 1.00 0.00 H new ATOM 731 N GLU A 44 165.531 -5.906 8.299 1.00 0.00 N ATOM 732 CA GLU A 44 165.479 -6.404 9.667 1.00 0.00 C ATOM 733 C GLU A 44 164.257 -5.867 10.410 1.00 0.00 C ATOM 734 O GLU A 44 163.827 -4.737 10.184 1.00 0.00 O ATOM 735 CB GLU A 44 166.755 -6.027 10.422 1.00 0.00 C ATOM 736 CG GLU A 44 167.679 -7.207 10.689 1.00 0.00 C ATOM 737 CD GLU A 44 167.978 -8.020 9.442 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.508 -7.634 8.352 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.682 -9.045 9.558 1.00 0.00 O ATOM 0 H GLU A 44 165.838 -4.937 8.211 1.00 0.00 H new ATOM 0 HA GLU A 44 165.398 -7.490 9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.297 -5.275 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.482 -5.568 11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 44 168.615 -6.840 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.224 -7.855 11.438 1.00 0.00 H new ATOM 746 N PRO A 45 163.684 -6.689 11.308 1.00 0.00 N ATOM 747 CA PRO A 45 162.510 -6.334 12.098 1.00 0.00 C ATOM 748 C PRO A 45 162.471 -4.866 12.510 1.00 0.00 C ATOM 749 O PRO A 45 161.432 -4.211 12.416 1.00 0.00 O ATOM 750 CB PRO A 45 162.651 -7.207 13.353 1.00 0.00 C ATOM 751 CG PRO A 45 163.652 -8.277 13.027 1.00 0.00 C ATOM 752 CD PRO A 45 164.135 -8.049 11.619 1.00 0.00 C ATOM 0 HA PRO A 45 161.596 -6.492 11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.985 -6.611 14.203 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.692 -7.646 13.628 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.487 -8.243 13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 45 163.199 -9.264 13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 45 165.219 -8.136 11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.712 -8.778 10.928 1.00 0.00 H new ATOM 760 N GLN A 46 163.598 -4.366 13.003 1.00 0.00 N ATOM 761 CA GLN A 46 163.676 -2.989 13.470 1.00 0.00 C ATOM 762 C GLN A 46 164.353 -2.057 12.465 1.00 0.00 C ATOM 763 O GLN A 46 165.132 -1.185 12.850 1.00 0.00 O ATOM 764 CB GLN A 46 164.416 -2.949 14.807 1.00 0.00 C ATOM 765 CG GLN A 46 163.967 -1.818 15.719 1.00 0.00 C ATOM 766 CD GLN A 46 163.251 -2.314 16.960 1.00 0.00 C ATOM 767 OE1 GLN A 46 163.514 -1.850 18.069 1.00 0.00 O ATOM 768 NE2 GLN A 46 162.341 -3.265 16.779 1.00 0.00 N ATOM 0 H GLN A 46 164.467 -4.892 13.089 1.00 0.00 H new ATOM 0 HA GLN A 46 162.655 -2.627 13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 46 164.270 -3.899 15.322 1.00 0.00 H new ATOM 0 HB3 GLN A 46 165.485 -2.849 14.618 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.836 -1.230 16.016 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.306 -1.151 15.165 1.00 0.00 H new ATOM 0 HE21 GLN A 46 162.155 -3.621 15.841 1.00 0.00 H new ATOM 0 HE22 GLN A 46 161.829 -3.639 17.578 1.00 0.00 H new ATOM 777 N GLY A 47 164.035 -2.218 11.183 1.00 0.00 N ATOM 778 CA GLY A 47 164.610 -1.346 10.171 1.00 0.00 C ATOM 779 C GLY A 47 165.507 -2.058 9.172 1.00 0.00 C ATOM 780 O GLY A 47 165.735 -3.263 9.269 1.00 0.00 O ATOM 0 H GLY A 47 163.396 -2.929 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.802 -0.854 9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.185 -0.564 10.666 1.00 0.00 H new ATOM 784 N PHE A 48 166.006 -1.289 8.207 1.00 0.00 N ATOM 785 CA PHE A 48 166.885 -1.805 7.164 1.00 0.00 C ATOM 786 C PHE A 48 168.294 -2.039 7.696 1.00 0.00 C ATOM 787 O PHE A 48 168.741 -1.354 8.619 1.00 0.00 O ATOM 788 CB PHE A 48 166.948 -0.814 5.997 1.00 0.00 C ATOM 789 CG PHE A 48 166.043 -1.144 4.844 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.899 -1.907 5.021 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.338 -0.677 3.573 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.067 -2.193 3.955 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.512 -0.961 2.505 1.00 0.00 C ATOM 794 CZ PHE A 48 164.376 -1.719 2.695 1.00 0.00 C ATOM 0 H PHE A 48 165.812 -0.291 8.127 1.00 0.00 H new ATOM 0 HA PHE A 48 166.477 -2.757 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.695 0.179 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.975 -0.766 5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.655 -2.282 6.004 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.226 -0.083 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.177 -2.786 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 48 165.755 -0.590 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.729 -1.942 1.860 1.00 0.00 H new ATOM 804 N VAL A 49 168.990 -3.001 7.091 1.00 0.00 N ATOM 805 CA VAL A 49 170.358 -3.331 7.481 1.00 0.00 C ATOM 806 C VAL A 49 171.342 -2.915 6.396 1.00 0.00 C ATOM 807 O VAL A 49 171.502 -3.608 5.391 1.00 0.00 O ATOM 808 CB VAL A 49 170.526 -4.839 7.747 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.761 -5.102 8.594 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.282 -5.401 8.412 1.00 0.00 C ATOM 0 H VAL A 49 168.625 -3.567 6.325 1.00 0.00 H new ATOM 0 HA VAL A 49 170.565 -2.784 8.401 1.00 0.00 H new ATOM 0 HB VAL A 49 170.661 -5.346 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.860 -6.173 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.645 -4.736 8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.664 -4.585 9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.417 -6.467 8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.114 -4.890 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.421 -5.249 7.761 1.00 0.00 H new ATOM 820 N ALA A 50 171.993 -1.781 6.602 1.00 0.00 N ATOM 821 CA ALA A 50 172.961 -1.272 5.637 1.00 0.00 C ATOM 822 C ALA A 50 174.387 -1.616 6.057 1.00 0.00 C ATOM 823 O ALA A 50 175.052 -0.829 6.731 1.00 0.00 O ATOM 824 CB ALA A 50 172.807 0.232 5.486 1.00 0.00 C ATOM 0 H ALA A 50 171.870 -1.194 7.427 1.00 0.00 H new ATOM 0 HA ALA A 50 172.767 -1.749 4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.535 0.601 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.800 0.461 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.976 0.714 6.449 1.00 0.00 H new ATOM 830 N ASP A 51 174.853 -2.796 5.657 1.00 0.00 N ATOM 831 CA ASP A 51 176.203 -3.238 5.992 1.00 0.00 C ATOM 832 C ASP A 51 177.122 -3.123 4.782 1.00 0.00 C ATOM 833 O ASP A 51 177.275 -4.073 4.014 1.00 0.00 O ATOM 834 CB ASP A 51 176.180 -4.684 6.494 1.00 0.00 C ATOM 835 CG ASP A 51 175.085 -4.926 7.514 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.225 -4.451 8.661 1.00 0.00 O ATOM 837 OD2 ASP A 51 174.085 -5.590 7.165 1.00 0.00 O ATOM 0 H ASP A 51 174.317 -3.462 5.101 1.00 0.00 H new ATOM 0 HA ASP A 51 176.586 -2.594 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 51 176.039 -5.357 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.146 -4.927 6.938 1.00 0.00 H new ATOM 842 N ALA A 52 177.729 -1.952 4.616 1.00 0.00 N ATOM 843 CA ALA A 52 178.628 -1.715 3.495 1.00 0.00 C ATOM 844 C ALA A 52 180.089 -1.808 3.924 1.00 0.00 C ATOM 845 O ALA A 52 180.659 -0.842 4.430 1.00 0.00 O ATOM 846 CB ALA A 52 178.345 -0.360 2.866 1.00 0.00 C ATOM 0 H ALA A 52 177.614 -1.155 5.242 1.00 0.00 H new ATOM 0 HA ALA A 52 178.448 -2.493 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.025 -0.198 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.316 -0.333 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.491 0.424 3.609 1.00 0.00 H new ATOM 852 N THR A 53 180.689 -2.974 3.711 1.00 0.00 N ATOM 853 CA THR A 53 182.087 -3.193 4.066 1.00 0.00 C ATOM 854 C THR A 53 182.980 -2.974 2.852 1.00 0.00 C ATOM 855 O THR A 53 182.923 -3.728 1.881 1.00 0.00 O ATOM 856 CB THR A 53 182.286 -4.604 4.619 1.00 0.00 C ATOM 857 OG1 THR A 53 183.620 -4.785 5.062 1.00 0.00 O ATOM 858 CG2 THR A 53 181.986 -5.693 3.612 1.00 0.00 C ATOM 0 H THR A 53 180.229 -3.783 3.294 1.00 0.00 H new ATOM 0 HA THR A 53 182.362 -2.476 4.839 1.00 0.00 H new ATOM 0 HB THR A 53 181.579 -4.691 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 53 183.727 -5.693 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.148 -6.668 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 53 180.949 -5.613 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.645 -5.584 2.751 1.00 0.00 H new ATOM 866 N ILE A 54 183.794 -1.928 2.909 1.00 0.00 N ATOM 867 CA ILE A 54 184.690 -1.595 1.808 1.00 0.00 C ATOM 868 C ILE A 54 186.148 -1.819 2.195 1.00 0.00 C ATOM 869 O ILE A 54 186.550 -1.546 3.325 1.00 0.00 O ATOM 870 CB ILE A 54 184.507 -0.128 1.356 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.180 0.433 1.888 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.564 -0.034 -0.161 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.780 1.758 1.275 1.00 0.00 C ATOM 0 H ILE A 54 183.853 -1.295 3.706 1.00 0.00 H new ATOM 0 HA ILE A 54 184.432 -2.257 0.981 1.00 0.00 H new ATOM 0 HB ILE A 54 185.320 0.471 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.390 -0.294 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 54 183.256 0.553 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.434 1.004 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.530 -0.397 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.769 -0.642 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.833 2.086 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.549 2.502 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.670 1.642 0.197 1.00 0.00 H new ATOM 885 N ASN A 55 186.936 -2.316 1.247 1.00 0.00 N ATOM 886 CA ASN A 55 188.349 -2.574 1.487 1.00 0.00 C ATOM 887 C ASN A 55 189.205 -1.419 0.971 1.00 0.00 C ATOM 888 O ASN A 55 189.441 -1.295 -0.232 1.00 0.00 O ATOM 889 CB ASN A 55 188.773 -3.884 0.821 1.00 0.00 C ATOM 890 CG ASN A 55 190.244 -4.195 1.029 1.00 0.00 C ATOM 891 OD1 ASN A 55 191.114 -3.396 0.677 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.530 -5.358 1.602 1.00 0.00 N ATOM 0 H ASN A 55 186.619 -2.548 0.306 1.00 0.00 H new ATOM 0 HA ASN A 55 188.501 -2.662 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 55 188.173 -4.701 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.565 -3.828 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.502 -5.620 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.778 -5.989 1.878 1.00 0.00 H new ATOM 899 N THR A 56 189.663 -0.576 1.891 1.00 0.00 N ATOM 900 CA THR A 56 190.493 0.573 1.538 1.00 0.00 C ATOM 901 C THR A 56 191.975 0.214 1.623 1.00 0.00 C ATOM 902 O THR A 56 192.354 -0.738 2.304 1.00 0.00 O ATOM 903 CB THR A 56 190.187 1.776 2.451 1.00 0.00 C ATOM 904 OG1 THR A 56 191.357 2.540 2.690 1.00 0.00 O ATOM 905 CG2 THR A 56 189.612 1.392 3.800 1.00 0.00 C ATOM 0 H THR A 56 189.473 -0.666 2.889 1.00 0.00 H new ATOM 0 HA THR A 56 190.258 0.851 0.511 1.00 0.00 H new ATOM 0 HB THR A 56 189.437 2.352 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 56 191.139 3.299 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 56 189.423 2.292 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.677 0.850 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 56 190.321 0.757 4.330 1.00 0.00 H new ATOM 913 N PRO A 57 192.839 0.975 0.927 1.00 0.00 N ATOM 914 CA PRO A 57 194.287 0.733 0.925 1.00 0.00 C ATOM 915 C PRO A 57 194.888 0.731 2.328 1.00 0.00 C ATOM 916 O PRO A 57 195.981 0.208 2.540 1.00 0.00 O ATOM 917 CB PRO A 57 194.854 1.902 0.104 1.00 0.00 C ATOM 918 CG PRO A 57 193.758 2.912 0.048 1.00 0.00 C ATOM 919 CD PRO A 57 192.481 2.128 0.088 1.00 0.00 C ATOM 0 HA PRO A 57 194.525 -0.248 0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.747 2.316 0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.141 1.577 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.819 3.603 0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.822 3.509 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.664 2.706 0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.162 1.821 -0.908 1.00 0.00 H new ATOM 927 N ASN A 58 194.173 1.315 3.286 1.00 0.00 N ATOM 928 CA ASN A 58 194.650 1.371 4.663 1.00 0.00 C ATOM 929 C ASN A 58 194.101 0.205 5.479 1.00 0.00 C ATOM 930 O ASN A 58 194.760 -0.290 6.393 1.00 0.00 O ATOM 931 CB ASN A 58 194.248 2.697 5.312 1.00 0.00 C ATOM 932 CG ASN A 58 195.331 3.247 6.218 1.00 0.00 C ATOM 933 OD1 ASN A 58 196.134 2.495 6.772 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.358 4.564 6.375 1.00 0.00 N ATOM 0 H ASN A 58 193.265 1.754 3.134 1.00 0.00 H new ATOM 0 HA ASN A 58 195.737 1.298 4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 58 194.024 3.426 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.334 2.554 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.064 4.992 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 58 194.673 5.149 5.896 1.00 0.00 H new ATOM 941 N GLY A 59 192.891 -0.229 5.141 1.00 0.00 N ATOM 942 CA GLY A 59 192.276 -1.334 5.855 1.00 0.00 C ATOM 943 C GLY A 59 190.937 -1.733 5.269 1.00 0.00 C ATOM 944 O GLY A 59 190.854 -2.136 4.109 1.00 0.00 O ATOM 0 H GLY A 59 192.326 0.163 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.947 -2.193 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 59 192.143 -1.057 6.901 1.00 0.00 H new ATOM 948 N VAL A 60 189.884 -1.617 6.072 1.00 0.00 N ATOM 949 CA VAL A 60 188.541 -1.970 5.628 1.00 0.00 C ATOM 950 C VAL A 60 187.497 -1.053 6.256 1.00 0.00 C ATOM 951 O VAL A 60 187.197 -1.155 7.444 1.00 0.00 O ATOM 952 CB VAL A 60 188.200 -3.433 5.972 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.814 -3.799 5.462 1.00 0.00 C ATOM 954 CG2 VAL A 60 189.247 -4.371 5.393 1.00 0.00 C ATOM 0 H VAL A 60 189.935 -1.281 7.034 1.00 0.00 H new ATOM 0 HA VAL A 60 188.523 -1.848 4.545 1.00 0.00 H new ATOM 0 HB VAL A 60 188.201 -3.539 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.595 -4.836 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 60 186.072 -3.148 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.780 -3.676 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.992 -5.400 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.276 -4.259 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 190.224 -4.127 5.810 1.00 0.00 H new ATOM 964 N LEU A 61 186.945 -0.160 5.442 1.00 0.00 N ATOM 965 CA LEU A 61 185.931 0.778 5.907 1.00 0.00 C ATOM 966 C LEU A 61 184.581 0.081 6.056 1.00 0.00 C ATOM 967 O LEU A 61 183.934 -0.257 5.067 1.00 0.00 O ATOM 968 CB LEU A 61 185.813 1.948 4.927 1.00 0.00 C ATOM 969 CG LEU A 61 186.810 3.091 5.148 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.500 4.254 4.218 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.794 3.549 6.602 1.00 0.00 C ATOM 0 H LEU A 61 187.184 -0.066 4.455 1.00 0.00 H new ATOM 0 HA LEU A 61 186.232 1.158 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.942 1.566 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.803 2.352 4.989 1.00 0.00 H new ATOM 0 HG LEU A 61 187.810 2.722 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.217 5.057 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.568 3.920 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.492 4.620 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.509 4.361 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.795 3.899 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.066 2.715 7.249 1.00 0.00 H new ATOM 983 N VAL A 62 184.164 -0.139 7.301 1.00 0.00 N ATOM 984 CA VAL A 62 182.895 -0.802 7.577 1.00 0.00 C ATOM 985 C VAL A 62 181.767 0.211 7.745 1.00 0.00 C ATOM 986 O VAL A 62 181.682 0.901 8.762 1.00 0.00 O ATOM 987 CB VAL A 62 182.982 -1.685 8.840 1.00 0.00 C ATOM 988 CG1 VAL A 62 181.642 -2.348 9.135 1.00 0.00 C ATOM 989 CG2 VAL A 62 184.078 -2.730 8.682 1.00 0.00 C ATOM 0 H VAL A 62 184.687 0.133 8.133 1.00 0.00 H new ATOM 0 HA VAL A 62 182.678 -1.437 6.718 1.00 0.00 H new ATOM 0 HB VAL A 62 183.233 -1.046 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 62 181.730 -2.965 10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.884 -1.581 9.296 1.00 0.00 H new ATOM 0 HG13 VAL A 62 181.352 -2.973 8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 62 184.127 -3.345 9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.857 -3.362 7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 62 185.036 -2.233 8.530 1.00 0.00 H new ATOM 999 N ALA A 63 180.906 0.296 6.737 1.00 0.00 N ATOM 1000 CA ALA A 63 179.782 1.225 6.760 1.00 0.00 C ATOM 1001 C ALA A 63 178.517 0.548 7.278 1.00 0.00 C ATOM 1002 O ALA A 63 177.960 -0.331 6.620 1.00 0.00 O ATOM 1003 CB ALA A 63 179.548 1.790 5.369 1.00 0.00 C ATOM 0 H ALA A 63 180.966 -0.270 5.890 1.00 0.00 H new ATOM 0 HA ALA A 63 180.027 2.041 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.707 2.483 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.442 2.317 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 63 179.327 0.976 4.678 1.00 0.00 H new ATOM 1009 N SER A 64 178.073 0.957 8.459 1.00 0.00 N ATOM 1010 CA SER A 64 176.878 0.386 9.064 1.00 0.00 C ATOM 1011 C SER A 64 175.730 1.390 9.075 1.00 0.00 C ATOM 1012 O SER A 64 175.889 2.526 9.522 1.00 0.00 O ATOM 1013 CB SER A 64 177.178 -0.075 10.490 1.00 0.00 C ATOM 1014 OG SER A 64 178.561 -0.336 10.662 1.00 0.00 O ATOM 0 H SER A 64 178.523 1.683 9.017 1.00 0.00 H new ATOM 0 HA SER A 64 176.575 -0.472 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.858 0.690 11.198 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.605 -0.975 10.713 1.00 0.00 H new ATOM 0 HG SER A 64 178.727 -0.628 11.583 1.00 0.00 H new ATOM 1020 N GLY A 65 174.570 0.965 8.584 1.00 0.00 N ATOM 1021 CA GLY A 65 173.413 1.840 8.552 1.00 0.00 C ATOM 1022 C GLY A 65 172.124 1.112 8.869 1.00 0.00 C ATOM 1023 O GLY A 65 171.620 0.341 8.052 1.00 0.00 O ATOM 0 H GLY A 65 174.411 0.030 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.554 2.650 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.335 2.297 7.566 1.00 0.00 H new ATOM 1027 N LYS A 66 171.586 1.361 10.058 1.00 0.00 N ATOM 1028 CA LYS A 66 170.343 0.730 10.483 1.00 0.00 C ATOM 1029 C LYS A 66 169.247 1.773 10.656 1.00 0.00 C ATOM 1030 O LYS A 66 169.427 2.758 11.373 1.00 0.00 O ATOM 1031 CB LYS A 66 170.548 -0.029 11.796 1.00 0.00 C ATOM 1032 CG LYS A 66 171.873 -0.770 11.876 1.00 0.00 C ATOM 1033 CD LYS A 66 172.937 0.064 12.571 1.00 0.00 C ATOM 1034 CE LYS A 66 172.639 0.222 14.054 1.00 0.00 C ATOM 1035 NZ LYS A 66 173.352 -0.795 14.875 1.00 0.00 N ATOM 0 H LYS A 66 171.992 1.996 10.745 1.00 0.00 H new ATOM 0 HA LYS A 66 170.039 0.023 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 66 170.486 0.675 12.626 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.735 -0.743 11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.735 -1.707 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 66 172.209 -1.026 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 66 173.912 -0.407 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.994 1.047 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.931 1.221 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 66 171.565 0.135 14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 173.123 -0.653 15.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 173.054 -1.748 14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 174.378 -0.695 14.737 1.00 0.00 H new ATOM 1049 N HIS A 67 168.112 1.559 9.999 1.00 0.00 N ATOM 1050 CA HIS A 67 167.000 2.500 10.096 1.00 0.00 C ATOM 1051 C HIS A 67 165.770 1.996 9.350 1.00 0.00 C ATOM 1052 O HIS A 67 165.883 1.269 8.364 1.00 0.00 O ATOM 1053 CB HIS A 67 167.413 3.869 9.551 1.00 0.00 C ATOM 1054 CG HIS A 67 166.712 5.013 10.213 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.085 5.515 11.442 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.652 5.755 9.811 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.286 6.517 11.767 1.00 0.00 C ATOM 1058 NE2 HIS A 67 165.409 6.681 10.794 1.00 0.00 N ATOM 0 H HIS A 67 167.938 0.752 9.400 1.00 0.00 H new ATOM 0 HA HIS A 67 166.740 2.593 11.150 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.489 3.991 9.676 1.00 0.00 H new ATOM 0 HB3 HIS A 67 167.211 3.901 8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.101 5.639 8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.341 7.101 12.674 1.00 0.00 H new ATOM 0 HE2 HIS A 67 164.669 7.383 10.776 1.00 0.00 H new ATOM 1067 N GLU A 68 164.594 2.396 9.829 1.00 0.00 N ATOM 1068 CA GLU A 68 163.335 1.993 9.213 1.00 0.00 C ATOM 1069 C GLU A 68 163.302 2.364 7.733 1.00 0.00 C ATOM 1070 O GLU A 68 162.956 1.541 6.887 1.00 0.00 O ATOM 1071 CB GLU A 68 162.157 2.640 9.946 1.00 0.00 C ATOM 1072 CG GLU A 68 161.380 1.669 10.819 1.00 0.00 C ATOM 1073 CD GLU A 68 160.798 0.514 10.028 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.275 0.757 8.921 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.865 -0.634 10.516 1.00 0.00 O ATOM 0 H GLU A 68 164.488 3.000 10.644 1.00 0.00 H new ATOM 0 HA GLU A 68 163.252 0.909 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.529 3.456 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.480 3.079 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 68 162.037 1.278 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.574 2.203 11.322 1.00 0.00 H new ATOM 1082 N ASP A 69 163.669 3.604 7.427 1.00 0.00 N ATOM 1083 CA ASP A 69 163.681 4.071 6.047 1.00 0.00 C ATOM 1084 C ASP A 69 164.875 3.493 5.297 1.00 0.00 C ATOM 1085 O ASP A 69 165.962 3.345 5.857 1.00 0.00 O ATOM 1086 CB ASP A 69 163.723 5.597 5.995 1.00 0.00 C ATOM 1087 CG ASP A 69 162.815 6.162 4.921 1.00 0.00 C ATOM 1088 OD1 ASP A 69 163.177 6.074 3.729 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.739 6.693 5.271 1.00 0.00 O ATOM 0 H ASP A 69 163.961 4.300 8.113 1.00 0.00 H new ATOM 0 HA ASP A 69 162.764 3.729 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.429 5.999 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.746 5.924 5.811 1.00 0.00 H new ATOM 1094 N MET A 70 164.664 3.159 4.030 1.00 0.00 N ATOM 1095 CA MET A 70 165.721 2.585 3.209 1.00 0.00 C ATOM 1096 C MET A 70 166.798 3.615 2.876 1.00 0.00 C ATOM 1097 O MET A 70 167.988 3.343 3.023 1.00 0.00 O ATOM 1098 CB MET A 70 165.135 1.976 1.924 1.00 0.00 C ATOM 1099 CG MET A 70 164.768 2.984 0.841 1.00 0.00 C ATOM 1100 SD MET A 70 163.218 3.843 1.173 1.00 0.00 S ATOM 1101 CE MET A 70 162.328 3.536 -0.352 1.00 0.00 C ATOM 0 H MET A 70 163.772 3.276 3.550 1.00 0.00 H new ATOM 0 HA MET A 70 166.195 1.791 3.787 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.857 1.270 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.244 1.405 2.184 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.570 3.716 0.747 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.693 2.469 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.346 4.006 -0.301 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.887 3.953 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.209 2.462 -0.494 1.00 0.00 H new ATOM 1111 N TYR A 71 166.379 4.788 2.421 1.00 0.00 N ATOM 1112 CA TYR A 71 167.323 5.838 2.057 1.00 0.00 C ATOM 1113 C TYR A 71 167.935 6.492 3.286 1.00 0.00 C ATOM 1114 O TYR A 71 169.060 6.987 3.237 1.00 0.00 O ATOM 1115 CB TYR A 71 166.645 6.869 1.156 1.00 0.00 C ATOM 1116 CG TYR A 71 166.304 6.307 -0.207 1.00 0.00 C ATOM 1117 CD1 TYR A 71 167.139 5.376 -0.816 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.152 6.691 -0.881 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.838 4.845 -2.050 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.846 6.161 -2.123 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.690 5.242 -2.701 1.00 0.00 C ATOM 1122 OH TYR A 71 165.385 4.718 -3.937 1.00 0.00 O ATOM 0 H TYR A 71 165.398 5.037 2.295 1.00 0.00 H new ATOM 0 HA TYR A 71 168.141 5.381 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.734 7.226 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 71 167.301 7.731 1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 71 168.041 5.064 -0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.486 7.412 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 71 167.498 4.121 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.947 6.469 -2.636 1.00 0.00 H new ATOM 0 HH TYR A 71 166.161 4.805 -4.530 1.00 0.00 H new ATOM 1132 N THR A 72 167.214 6.464 4.401 1.00 0.00 N ATOM 1133 CA THR A 72 167.736 7.028 5.638 1.00 0.00 C ATOM 1134 C THR A 72 168.785 6.084 6.215 1.00 0.00 C ATOM 1135 O THR A 72 169.712 6.508 6.904 1.00 0.00 O ATOM 1136 CB THR A 72 166.622 7.266 6.654 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.518 7.916 6.046 1.00 0.00 O ATOM 1138 CG2 THR A 72 167.058 8.112 7.830 1.00 0.00 C ATOM 0 H THR A 72 166.279 6.062 4.474 1.00 0.00 H new ATOM 0 HA THR A 72 168.190 7.994 5.417 1.00 0.00 H new ATOM 0 HB THR A 72 166.347 6.276 7.018 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.814 8.058 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 72 166.220 8.243 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.877 7.617 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.391 9.087 7.473 1.00 0.00 H new ATOM 1146 N ALA A 73 168.632 4.795 5.907 1.00 0.00 N ATOM 1147 CA ALA A 73 169.565 3.779 6.369 1.00 0.00 C ATOM 1148 C ALA A 73 170.911 3.944 5.672 1.00 0.00 C ATOM 1149 O ALA A 73 171.960 3.970 6.317 1.00 0.00 O ATOM 1150 CB ALA A 73 168.996 2.388 6.116 1.00 0.00 C ATOM 0 H ALA A 73 167.867 4.434 5.337 1.00 0.00 H new ATOM 0 HA ALA A 73 169.715 3.900 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.703 1.636 6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.054 2.277 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.823 2.254 5.048 1.00 0.00 H new ATOM 1156 N ILE A 74 170.874 4.074 4.346 1.00 0.00 N ATOM 1157 CA ILE A 74 172.099 4.257 3.569 1.00 0.00 C ATOM 1158 C ILE A 74 172.809 5.531 4.011 1.00 0.00 C ATOM 1159 O ILE A 74 174.036 5.583 4.082 1.00 0.00 O ATOM 1160 CB ILE A 74 171.863 4.338 2.034 1.00 0.00 C ATOM 1161 CG1 ILE A 74 170.458 3.868 1.632 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.916 3.523 1.300 1.00 0.00 C ATOM 1163 CD1 ILE A 74 170.220 2.389 1.842 1.00 0.00 C ATOM 0 H ILE A 74 170.018 4.056 3.792 1.00 0.00 H new ATOM 0 HA ILE A 74 172.706 3.372 3.761 1.00 0.00 H new ATOM 0 HB ILE A 74 171.946 5.387 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.720 4.429 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 74 170.293 4.106 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.742 3.586 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.906 3.916 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.856 2.482 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 74 169.205 2.136 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.932 1.818 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 74 170.351 2.146 2.896 1.00 0.00 H new ATOM 1175 N ASN A 75 172.018 6.560 4.311 1.00 0.00 N ATOM 1176 CA ASN A 75 172.556 7.842 4.750 1.00 0.00 C ATOM 1177 C ASN A 75 173.387 7.675 6.016 1.00 0.00 C ATOM 1178 O ASN A 75 174.604 7.859 5.998 1.00 0.00 O ATOM 1179 CB ASN A 75 171.423 8.837 4.998 1.00 0.00 C ATOM 1180 CG ASN A 75 171.028 9.592 3.744 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.807 10.803 3.777 1.00 0.00 O ATOM 1182 ND2 ASN A 75 170.936 8.878 2.627 1.00 0.00 N ATOM 0 H ASN A 75 171.000 6.528 4.257 1.00 0.00 H new ATOM 0 HA ASN A 75 173.201 8.227 3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.555 8.305 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.730 9.548 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 75 170.674 9.332 1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 75 171.128 7.876 2.645 1.00 0.00 H new ATOM 1189 N GLU A 76 172.722 7.319 7.115 1.00 0.00 N ATOM 1190 CA GLU A 76 173.402 7.121 8.394 1.00 0.00 C ATOM 1191 C GLU A 76 174.678 6.302 8.209 1.00 0.00 C ATOM 1192 O GLU A 76 175.660 6.480 8.931 1.00 0.00 O ATOM 1193 CB GLU A 76 172.472 6.418 9.385 1.00 0.00 C ATOM 1194 CG GLU A 76 172.394 7.110 10.736 1.00 0.00 C ATOM 1195 CD GLU A 76 172.428 6.132 11.894 1.00 0.00 C ATOM 1196 OE1 GLU A 76 173.375 5.320 11.958 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.508 6.177 12.737 1.00 0.00 O ATOM 0 H GLU A 76 171.715 7.162 7.145 1.00 0.00 H new ATOM 0 HA GLU A 76 173.672 8.100 8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.472 6.362 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.815 5.393 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 76 173.225 7.809 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 76 171.477 7.697 10.787 1.00 0.00 H new ATOM 1204 N LEU A 77 174.644 5.397 7.238 1.00 0.00 N ATOM 1205 CA LEU A 77 175.777 4.529 6.944 1.00 0.00 C ATOM 1206 C LEU A 77 176.947 5.302 6.323 1.00 0.00 C ATOM 1207 O LEU A 77 178.106 5.055 6.658 1.00 0.00 O ATOM 1208 CB LEU A 77 175.321 3.403 6.005 1.00 0.00 C ATOM 1209 CG LEU A 77 176.414 2.759 5.151 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.018 1.342 4.760 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.691 3.601 3.911 1.00 0.00 C ATOM 0 H LEU A 77 173.835 5.245 6.636 1.00 0.00 H new ATOM 0 HA LEU A 77 176.136 4.107 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.850 2.624 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.554 3.800 5.340 1.00 0.00 H new ATOM 0 HG LEU A 77 177.329 2.710 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.807 0.898 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.873 0.744 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.091 1.368 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.471 3.127 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.781 3.684 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 77 177.019 4.596 4.213 1.00 0.00 H new ATOM 1223 N ILE A 78 176.643 6.213 5.401 1.00 0.00 N ATOM 1224 CA ILE A 78 177.686 6.984 4.724 1.00 0.00 C ATOM 1225 C ILE A 78 178.306 8.054 5.623 1.00 0.00 C ATOM 1226 O ILE A 78 179.499 8.335 5.519 1.00 0.00 O ATOM 1227 CB ILE A 78 177.154 7.651 3.435 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.278 8.413 2.725 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.991 8.580 3.748 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.929 8.830 1.313 1.00 0.00 C ATOM 0 H ILE A 78 175.692 6.435 5.107 1.00 0.00 H new ATOM 0 HA ILE A 78 178.462 6.264 4.466 1.00 0.00 H new ATOM 0 HB ILE A 78 176.792 6.868 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.527 9.301 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 78 179.170 7.788 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.633 9.038 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.183 8.010 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.322 9.359 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.771 9.364 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.709 7.945 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 78 177.056 9.482 1.331 1.00 0.00 H new ATOM 1242 N ASN A 79 177.503 8.662 6.490 1.00 0.00 N ATOM 1243 CA ASN A 79 178.014 9.708 7.375 1.00 0.00 C ATOM 1244 C ASN A 79 178.930 9.132 8.450 1.00 0.00 C ATOM 1245 O ASN A 79 179.973 9.711 8.755 1.00 0.00 O ATOM 1246 CB ASN A 79 176.872 10.496 8.024 1.00 0.00 C ATOM 1247 CG ASN A 79 175.727 9.616 8.478 1.00 0.00 C ATOM 1248 OD1 ASN A 79 174.698 9.534 7.812 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.902 8.959 9.619 1.00 0.00 N ATOM 0 H ASN A 79 176.510 8.454 6.600 1.00 0.00 H new ATOM 0 HA ASN A 79 178.598 10.391 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 79 177.260 11.048 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.497 11.232 7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.163 8.354 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 79 176.775 9.060 10.137 1.00 0.00 H new ATOM 1256 N LYS A 80 178.545 7.997 9.026 1.00 0.00 N ATOM 1257 CA LYS A 80 179.358 7.374 10.065 1.00 0.00 C ATOM 1258 C LYS A 80 180.666 6.838 9.485 1.00 0.00 C ATOM 1259 O LYS A 80 181.727 6.962 10.101 1.00 0.00 O ATOM 1260 CB LYS A 80 178.581 6.260 10.777 1.00 0.00 C ATOM 1261 CG LYS A 80 178.324 5.024 9.927 1.00 0.00 C ATOM 1262 CD LYS A 80 178.257 3.767 10.784 1.00 0.00 C ATOM 1263 CE LYS A 80 177.268 3.914 11.931 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.950 3.900 13.255 1.00 0.00 N ATOM 0 H LYS A 80 177.687 7.496 8.795 1.00 0.00 H new ATOM 0 HA LYS A 80 179.602 8.138 10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 80 179.133 5.963 11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 80 177.624 6.660 11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.389 5.144 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.116 4.919 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.969 2.919 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.247 3.547 11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.715 4.846 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 80 176.540 3.104 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 177.316 4.298 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 178.193 2.921 13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 178.818 4.470 13.204 1.00 0.00 H new ATOM 1278 N LEU A 81 180.593 6.255 8.291 1.00 0.00 N ATOM 1279 CA LEU A 81 181.782 5.721 7.641 1.00 0.00 C ATOM 1280 C LEU A 81 182.720 6.855 7.253 1.00 0.00 C ATOM 1281 O LEU A 81 183.937 6.754 7.420 1.00 0.00 O ATOM 1282 CB LEU A 81 181.411 4.903 6.401 1.00 0.00 C ATOM 1283 CG LEU A 81 182.175 3.582 6.227 1.00 0.00 C ATOM 1284 CD1 LEU A 81 182.101 3.113 4.782 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.631 3.726 6.654 1.00 0.00 C ATOM 0 H LEU A 81 179.730 6.142 7.759 1.00 0.00 H new ATOM 0 HA LEU A 81 182.287 5.062 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.344 4.683 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.579 5.519 5.517 1.00 0.00 H new ATOM 0 HG LEU A 81 181.703 2.837 6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 81 182.647 2.176 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 81 181.059 2.959 4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 81 182.544 3.867 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 81 184.145 2.775 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 81 184.115 4.490 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.675 4.017 7.704 1.00 0.00 H new ATOM 1297 N GLU A 82 182.144 7.939 6.741 1.00 0.00 N ATOM 1298 CA GLU A 82 182.927 9.101 6.341 1.00 0.00 C ATOM 1299 C GLU A 82 183.807 9.566 7.494 1.00 0.00 C ATOM 1300 O GLU A 82 185.025 9.678 7.352 1.00 0.00 O ATOM 1301 CB GLU A 82 182.005 10.235 5.886 1.00 0.00 C ATOM 1302 CG GLU A 82 182.141 10.574 4.410 1.00 0.00 C ATOM 1303 CD GLU A 82 181.750 9.420 3.508 1.00 0.00 C ATOM 1304 OE1 GLU A 82 182.188 8.282 3.777 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.005 9.655 2.533 1.00 0.00 O ATOM 0 H GLU A 82 181.139 8.036 6.594 1.00 0.00 H new ATOM 0 HA GLU A 82 183.567 8.818 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.972 9.957 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 82 182.220 11.126 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 82 181.517 11.437 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 82 183.171 10.861 4.200 1.00 0.00 H new ATOM 1312 N ARG A 83 183.184 9.815 8.644 1.00 0.00 N ATOM 1313 CA ARG A 83 183.914 10.247 9.832 1.00 0.00 C ATOM 1314 C ARG A 83 185.106 9.329 10.085 1.00 0.00 C ATOM 1315 O ARG A 83 186.230 9.791 10.275 1.00 0.00 O ATOM 1316 CB ARG A 83 182.982 10.261 11.047 1.00 0.00 C ATOM 1317 CG ARG A 83 183.695 10.507 12.369 1.00 0.00 C ATOM 1318 CD ARG A 83 183.825 9.226 13.178 1.00 0.00 C ATOM 1319 NE ARG A 83 184.499 9.448 14.454 1.00 0.00 N ATOM 1320 CZ ARG A 83 183.908 9.974 15.525 1.00 0.00 C ATOM 1321 NH1 ARG A 83 182.632 10.333 15.477 1.00 0.00 N ATOM 1322 NH2 ARG A 83 184.596 10.140 16.646 1.00 0.00 N ATOM 0 H ARG A 83 182.177 9.725 8.778 1.00 0.00 H new ATOM 0 HA ARG A 83 184.286 11.258 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.226 11.033 10.904 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.457 9.307 11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 83 184.685 10.920 12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.146 11.250 12.947 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.834 8.810 13.360 1.00 0.00 H new ATOM 0 HD3 ARG A 83 184.379 8.487 12.599 1.00 0.00 H new ATOM 0 HE ARG A 83 185.481 9.184 14.530 1.00 0.00 H new ATOM 0 HH11 ARG A 83 182.099 10.207 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 83 182.184 10.735 16.300 1.00 0.00 H new ATOM 0 HH21 ARG A 83 185.577 9.865 16.688 1.00 0.00 H new ATOM 0 HH22 ARG A 83 184.144 10.543 17.467 1.00 0.00 H new ATOM 1336 N GLN A 84 184.854 8.023 10.070 1.00 0.00 N ATOM 1337 CA GLN A 84 185.914 7.046 10.280 1.00 0.00 C ATOM 1338 C GLN A 84 186.925 7.102 9.135 1.00 0.00 C ATOM 1339 O GLN A 84 188.083 6.713 9.292 1.00 0.00 O ATOM 1340 CB GLN A 84 185.326 5.638 10.390 1.00 0.00 C ATOM 1341 CG GLN A 84 186.358 4.573 10.730 1.00 0.00 C ATOM 1342 CD GLN A 84 185.748 3.192 10.866 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.902 2.532 11.893 1.00 0.00 O ATOM 1344 NE2 GLN A 84 185.051 2.747 9.827 1.00 0.00 N ATOM 0 H GLN A 84 183.930 7.620 9.915 1.00 0.00 H new ATOM 0 HA GLN A 84 186.425 7.288 11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.549 5.636 11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.846 5.379 9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 84 187.123 4.553 9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 84 186.856 4.840 11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 84 184.949 3.328 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 84 184.618 1.824 9.861 1.00 0.00 H new ATOM 1353 N LEU A 85 186.474 7.594 7.983 1.00 0.00 N ATOM 1354 CA LEU A 85 187.328 7.709 6.807 1.00 0.00 C ATOM 1355 C LEU A 85 188.315 8.862 6.955 1.00 0.00 C ATOM 1356 O LEU A 85 189.526 8.651 7.000 1.00 0.00 O ATOM 1357 CB LEU A 85 186.474 7.913 5.554 1.00 0.00 C ATOM 1358 CG LEU A 85 187.174 7.592 4.232 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.151 7.408 3.120 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.166 8.690 3.874 1.00 0.00 C ATOM 0 H LEU A 85 185.518 7.920 7.841 1.00 0.00 H new ATOM 0 HA LEU A 85 187.895 6.783 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.583 7.291 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.138 8.950 5.527 1.00 0.00 H new ATOM 0 HG LEU A 85 187.725 6.659 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.665 7.180 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.481 6.587 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.573 8.325 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.655 8.445 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.638 9.639 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.916 8.773 4.660 1.00 0.00 H new ATOM 1372 N ASN A 86 187.792 10.085 7.021 1.00 0.00 N ATOM 1373 CA ASN A 86 188.637 11.275 7.153 1.00 0.00 C ATOM 1374 C ASN A 86 189.699 11.085 8.236 1.00 0.00 C ATOM 1375 O ASN A 86 190.872 11.388 8.025 1.00 0.00 O ATOM 1376 CB ASN A 86 187.808 12.529 7.460 1.00 0.00 C ATOM 1377 CG ASN A 86 186.488 12.225 8.135 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.422 12.053 9.352 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.427 12.164 7.343 1.00 0.00 N ATOM 0 H ASN A 86 186.791 10.280 6.986 1.00 0.00 H new ATOM 0 HA ASN A 86 189.133 11.415 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.390 13.193 8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.618 13.066 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.507 11.968 7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.531 12.314 6.339 1.00 0.00 H new ATOM 1386 N LYS A 87 189.278 10.586 9.393 1.00 0.00 N ATOM 1387 CA LYS A 87 190.198 10.361 10.503 1.00 0.00 C ATOM 1388 C LYS A 87 191.254 9.321 10.139 1.00 0.00 C ATOM 1389 O LYS A 87 192.429 9.477 10.469 1.00 0.00 O ATOM 1390 CB LYS A 87 189.430 9.921 11.751 1.00 0.00 C ATOM 1391 CG LYS A 87 188.802 8.543 11.627 1.00 0.00 C ATOM 1392 CD LYS A 87 189.798 7.444 11.967 1.00 0.00 C ATOM 1393 CE LYS A 87 189.303 6.578 13.115 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.866 7.014 14.424 1.00 0.00 N ATOM 0 H LYS A 87 188.310 10.330 9.587 1.00 0.00 H new ATOM 0 HA LYS A 87 190.707 11.302 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 87 190.108 9.926 12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.647 10.650 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 87 187.941 8.473 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.433 8.400 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 87 189.969 6.822 11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.756 7.890 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.215 6.618 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 87 189.577 5.539 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 189.504 6.398 15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 190.904 6.952 14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 189.584 7.997 14.613 1.00 0.00 H new ATOM 1408 N LEU A 88 190.831 8.258 9.458 1.00 0.00 N ATOM 1409 CA LEU A 88 191.750 7.198 9.053 1.00 0.00 C ATOM 1410 C LEU A 88 192.662 7.673 7.925 1.00 0.00 C ATOM 1411 O LEU A 88 193.885 7.587 8.021 1.00 0.00 O ATOM 1412 CB LEU A 88 190.975 5.956 8.612 1.00 0.00 C ATOM 1413 CG LEU A 88 191.829 4.703 8.395 1.00 0.00 C ATOM 1414 CD1 LEU A 88 191.264 3.524 9.172 1.00 0.00 C ATOM 1415 CD2 LEU A 88 191.928 4.365 6.912 1.00 0.00 C ATOM 0 H LEU A 88 189.862 8.109 9.176 1.00 0.00 H new ATOM 0 HA LEU A 88 192.368 6.940 9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.216 5.735 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.450 6.184 7.685 1.00 0.00 H new ATOM 0 HG LEU A 88 192.832 4.911 8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.886 2.645 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 88 191.252 3.761 10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.248 3.319 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.539 3.472 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 88 190.930 4.183 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.386 5.198 6.379 1.00 0.00 H new ATOM 1427 N GLN A 89 192.051 8.173 6.857 1.00 0.00 N ATOM 1428 CA GLN A 89 192.798 8.665 5.704 1.00 0.00 C ATOM 1429 C GLN A 89 193.667 9.862 6.080 1.00 0.00 C ATOM 1430 O GLN A 89 194.663 10.151 5.417 1.00 0.00 O ATOM 1431 CB GLN A 89 191.831 9.060 4.585 1.00 0.00 C ATOM 1432 CG GLN A 89 191.903 8.151 3.369 1.00 0.00 C ATOM 1433 CD GLN A 89 193.305 8.037 2.807 1.00 0.00 C ATOM 1434 OE1 GLN A 89 194.087 8.987 2.859 1.00 0.00 O ATOM 1435 NE2 GLN A 89 193.632 6.872 2.263 1.00 0.00 N ATOM 0 H GLN A 89 191.038 8.249 6.765 1.00 0.00 H new ATOM 0 HA GLN A 89 193.450 7.864 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 89 190.813 9.050 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 89 192.044 10.083 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 89 191.543 7.159 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 89 191.236 8.532 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 89 192.953 6.111 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 89 194.562 6.737 1.867 1.00 0.00 H new ATOM 1444 N HIS A 90 193.281 10.557 7.146 1.00 0.00 N ATOM 1445 CA HIS A 90 194.019 11.728 7.611 1.00 0.00 C ATOM 1446 C HIS A 90 195.515 11.433 7.720 1.00 0.00 C ATOM 1447 O HIS A 90 196.346 12.334 7.595 1.00 0.00 O ATOM 1448 CB HIS A 90 193.455 12.194 8.961 1.00 0.00 C ATOM 1449 CG HIS A 90 194.485 12.709 9.924 1.00 0.00 C ATOM 1450 ND1 HIS A 90 195.022 13.977 9.848 1.00 0.00 N ATOM 1451 CD2 HIS A 90 195.080 12.114 10.985 1.00 0.00 C ATOM 1452 CE1 HIS A 90 195.900 14.140 10.820 1.00 0.00 C ATOM 1453 NE2 HIS A 90 195.953 13.025 11.526 1.00 0.00 N ATOM 0 H HIS A 90 192.459 10.329 7.706 1.00 0.00 H new ATOM 0 HA HIS A 90 193.897 12.527 6.880 1.00 0.00 H new ATOM 0 HB2 HIS A 90 192.720 12.979 8.782 1.00 0.00 H new ATOM 0 HB3 HIS A 90 192.926 11.362 9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 90 194.901 11.110 11.340 1.00 0.00 H new ATOM 0 HE1 HIS A 90 196.477 15.034 11.006 1.00 0.00 H new ATOM 0 HE2 HIS A 90 196.546 12.867 12.341 1.00 0.00 H new ATOM 1462 N LYS A 91 195.855 10.168 7.952 1.00 0.00 N ATOM 1463 CA LYS A 91 197.251 9.767 8.078 1.00 0.00 C ATOM 1464 C LYS A 91 197.440 8.309 7.671 1.00 0.00 C ATOM 1465 O LYS A 91 197.533 7.426 8.522 1.00 0.00 O ATOM 1466 CB LYS A 91 197.736 9.976 9.513 1.00 0.00 C ATOM 1467 CG LYS A 91 196.948 9.180 10.542 1.00 0.00 C ATOM 1468 CD LYS A 91 197.856 8.287 11.372 1.00 0.00 C ATOM 1469 CE LYS A 91 198.556 9.072 12.470 1.00 0.00 C ATOM 1470 NZ LYS A 91 199.768 9.772 11.962 1.00 0.00 N ATOM 0 H LYS A 91 195.185 9.406 8.056 1.00 0.00 H new ATOM 0 HA LYS A 91 197.843 10.390 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 91 198.788 9.697 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 91 197.672 11.036 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 91 196.410 9.864 11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 91 196.200 8.570 10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 91 197.270 7.482 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 91 198.600 7.821 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 91 197.865 9.802 12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 91 198.838 8.396 13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 200.386 10.020 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 200.281 9.147 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 199.484 10.638 11.461 1.00 0.00 H new ATOM 1484 N GLY A 92 197.496 8.067 6.366 1.00 0.00 N ATOM 1485 CA GLY A 92 197.674 6.715 5.871 1.00 0.00 C ATOM 1486 C GLY A 92 198.587 6.656 4.663 1.00 0.00 C ATOM 1487 O GLY A 92 198.447 7.446 3.730 1.00 0.00 O ATOM 0 H GLY A 92 197.421 8.782 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 92 198.086 6.092 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 92 196.702 6.296 5.609 1.00 0.00 H new ATOM 1491 N GLU A 93 199.525 5.713 4.678 1.00 0.00 N ATOM 1492 CA GLU A 93 200.465 5.553 3.574 1.00 0.00 C ATOM 1493 C GLU A 93 199.734 5.167 2.293 1.00 0.00 C ATOM 1494 O GLU A 93 198.885 4.276 2.294 1.00 0.00 O ATOM 1495 CB GLU A 93 201.511 4.491 3.920 1.00 0.00 C ATOM 1496 CG GLU A 93 202.910 4.835 3.430 1.00 0.00 C ATOM 1497 CD GLU A 93 203.179 4.321 2.029 1.00 0.00 C ATOM 1498 OE1 GLU A 93 202.634 4.903 1.068 1.00 0.00 O ATOM 1499 OE2 GLU A 93 203.936 3.336 1.895 1.00 0.00 O ATOM 0 H GLU A 93 199.654 5.049 5.442 1.00 0.00 H new ATOM 0 HA GLU A 93 200.967 6.507 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 93 201.536 4.356 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 93 201.207 3.538 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 93 203.042 5.917 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 93 203.645 4.413 4.115 1.00 0.00 H new ATOM 1506 N ALA A 94 200.071 5.842 1.199 1.00 0.00 N ATOM 1507 CA ALA A 94 199.448 5.570 -0.090 1.00 0.00 C ATOM 1508 C ALA A 94 200.239 4.527 -0.871 1.00 0.00 C ATOM 1509 O ALA A 94 201.436 4.689 -1.106 1.00 0.00 O ATOM 1510 CB ALA A 94 199.321 6.854 -0.897 1.00 0.00 C ATOM 0 H ALA A 94 200.773 6.582 1.180 1.00 0.00 H new ATOM 0 HA ALA A 94 198.451 5.170 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 94 198.854 6.635 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 94 198.707 7.569 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 94 200.311 7.279 -1.063 1.00 0.00 H new ATOM 1516 N ARG A 95 199.562 3.457 -1.273 1.00 0.00 N ATOM 1517 CA ARG A 95 200.204 2.386 -2.029 1.00 0.00 C ATOM 1518 C ARG A 95 199.173 1.557 -2.788 1.00 0.00 C ATOM 1519 O ARG A 95 197.970 1.691 -2.568 1.00 0.00 O ATOM 1520 CB ARG A 95 201.019 1.481 -1.099 1.00 0.00 C ATOM 1521 CG ARG A 95 200.460 1.384 0.314 1.00 0.00 C ATOM 1522 CD ARG A 95 199.028 0.876 0.316 1.00 0.00 C ATOM 1523 NE ARG A 95 198.775 -0.040 1.427 1.00 0.00 N ATOM 1524 CZ ARG A 95 198.778 0.328 2.707 1.00 0.00 C ATOM 1525 NH1 ARG A 95 199.011 1.591 3.040 1.00 0.00 N ATOM 1526 NH2 ARG A 95 198.547 -0.570 3.655 1.00 0.00 N ATOM 0 H ARG A 95 198.570 3.308 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 95 200.877 2.847 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 95 201.065 0.481 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 95 202.042 1.854 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 95 201.084 0.716 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 95 200.500 2.364 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 95 198.343 1.722 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 95 198.822 0.369 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 95 198.585 -1.018 1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 95 199.189 2.285 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 95 199.012 1.868 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 95 198.367 -1.542 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 95 198.549 -0.289 4.635 1.00 0.00 H new ATOM 1540 N ARG A 96 199.657 0.700 -3.682 1.00 0.00 N ATOM 1541 CA ARG A 96 198.780 -0.152 -4.476 1.00 0.00 C ATOM 1542 C ARG A 96 198.281 -1.338 -3.651 1.00 0.00 C ATOM 1543 O ARG A 96 197.175 -1.307 -3.114 1.00 0.00 O ATOM 1544 CB ARG A 96 199.516 -0.641 -5.728 1.00 0.00 C ATOM 1545 CG ARG A 96 199.866 0.474 -6.699 1.00 0.00 C ATOM 1546 CD ARG A 96 198.865 0.558 -7.843 1.00 0.00 C ATOM 1547 NE ARG A 96 199.528 0.584 -9.145 1.00 0.00 N ATOM 1548 CZ ARG A 96 199.994 -0.500 -9.761 1.00 0.00 C ATOM 1549 NH1 ARG A 96 199.864 -1.697 -9.203 1.00 0.00 N ATOM 1550 NH2 ARG A 96 200.590 -0.386 -10.940 1.00 0.00 N ATOM 0 H ARG A 96 200.651 0.578 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 96 197.913 0.434 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 96 200.431 -1.150 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 96 198.896 -1.377 -6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 96 199.892 1.425 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 96 200.865 0.306 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 96 198.188 -0.295 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 96 198.256 1.455 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 96 199.640 1.485 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 96 199.405 -1.790 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 96 200.223 -2.524 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 96 200.691 0.532 -11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 96 200.948 -1.216 -11.413 1.00 0.00 H new ATOM 1564 N ALA A 97 199.108 -2.378 -3.547 1.00 0.00 N ATOM 1565 CA ALA A 97 198.753 -3.570 -2.781 1.00 0.00 C ATOM 1566 C ALA A 97 197.393 -4.122 -3.195 1.00 0.00 C ATOM 1567 O ALA A 97 196.350 -3.604 -2.795 1.00 0.00 O ATOM 1568 CB ALA A 97 198.763 -3.257 -1.291 1.00 0.00 C ATOM 0 H ALA A 97 200.029 -2.418 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 97 199.499 -4.336 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 97 198.497 -4.152 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 97 199.758 -2.926 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 97 198.041 -2.468 -1.080 1.00 0.00 H new ATOM 1574 N ALA A 98 197.410 -5.184 -3.996 1.00 0.00 N ATOM 1575 CA ALA A 98 196.179 -5.814 -4.461 1.00 0.00 C ATOM 1576 C ALA A 98 195.280 -4.813 -5.180 1.00 0.00 C ATOM 1577 O ALA A 98 194.107 -4.659 -4.839 1.00 0.00 O ATOM 1578 CB ALA A 98 195.438 -6.449 -3.292 1.00 0.00 C ATOM 0 H ALA A 98 198.264 -5.626 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 98 196.448 -6.593 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 98 194.521 -6.916 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 98 196.071 -7.205 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 98 195.190 -5.682 -2.558 1.00 0.00 H new ATOM 1584 N THR A 99 195.835 -4.135 -6.179 1.00 0.00 N ATOM 1585 CA THR A 99 195.079 -3.153 -6.947 1.00 0.00 C ATOM 1586 C THR A 99 194.286 -3.829 -8.061 1.00 0.00 C ATOM 1587 O THR A 99 193.257 -3.315 -8.500 1.00 0.00 O ATOM 1588 CB THR A 99 196.019 -2.102 -7.538 1.00 0.00 C ATOM 1589 OG1 THR A 99 196.738 -1.442 -6.513 1.00 0.00 O ATOM 1590 CG2 THR A 99 195.301 -1.042 -8.347 1.00 0.00 C ATOM 0 H THR A 99 196.804 -4.247 -6.475 1.00 0.00 H new ATOM 0 HA THR A 99 194.378 -2.662 -6.272 1.00 0.00 H new ATOM 0 HB THR A 99 196.687 -2.652 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 99 196.423 -0.517 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 99 196.027 -0.328 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 99 194.773 -1.513 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 99 194.586 -0.521 -7.711 1.00 0.00 H new ATOM 1598 N SER A 100 194.767 -4.984 -8.512 1.00 0.00 N ATOM 1599 CA SER A 100 194.097 -5.729 -9.570 1.00 0.00 C ATOM 1600 C SER A 100 192.684 -6.116 -9.147 1.00 0.00 C ATOM 1601 O SER A 100 192.457 -7.214 -8.638 1.00 0.00 O ATOM 1602 CB SER A 100 194.898 -6.982 -9.928 1.00 0.00 C ATOM 1603 OG SER A 100 194.122 -7.880 -10.704 1.00 0.00 O ATOM 0 H SER A 100 195.618 -5.423 -8.161 1.00 0.00 H new ATOM 0 HA SER A 100 194.032 -5.087 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 100 195.794 -6.699 -10.481 1.00 0.00 H new ATOM 0 HB3 SER A 100 195.230 -7.478 -9.016 1.00 0.00 H new ATOM 0 HG SER A 100 194.657 -8.672 -10.921 1.00 0.00 H new ATOM 1609 N VAL A 101 191.741 -5.205 -9.360 1.00 0.00 N ATOM 1610 CA VAL A 101 190.348 -5.449 -8.995 1.00 0.00 C ATOM 1611 C VAL A 101 189.539 -5.935 -10.197 1.00 0.00 C ATOM 1612 O VAL A 101 189.347 -7.138 -10.378 1.00 0.00 O ATOM 1613 CB VAL A 101 189.670 -4.194 -8.393 1.00 0.00 C ATOM 1614 CG1 VAL A 101 189.729 -4.238 -6.874 1.00 0.00 C ATOM 1615 CG2 VAL A 101 190.303 -2.909 -8.914 1.00 0.00 C ATOM 0 H VAL A 101 191.914 -4.293 -9.782 1.00 0.00 H new ATOM 0 HA VAL A 101 190.364 -6.227 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 101 188.626 -4.198 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 101 189.248 -3.349 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 101 189.211 -5.128 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 101 190.770 -4.269 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 101 189.801 -2.050 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 101 191.360 -2.890 -8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 101 190.202 -2.867 -9.998 1.00 0.00 H new ATOM 1625 N LYS A 102 189.064 -5.000 -11.013 1.00 0.00 N ATOM 1626 CA LYS A 102 188.277 -5.345 -12.191 1.00 0.00 C ATOM 1627 C LYS A 102 189.172 -5.504 -13.415 1.00 0.00 C ATOM 1628 O LYS A 102 189.379 -4.555 -14.174 1.00 0.00 O ATOM 1629 CB LYS A 102 187.213 -4.274 -12.452 1.00 0.00 C ATOM 1630 CG LYS A 102 185.831 -4.659 -11.950 1.00 0.00 C ATOM 1631 CD LYS A 102 185.295 -5.879 -12.679 1.00 0.00 C ATOM 1632 CE LYS A 102 183.777 -5.935 -12.632 1.00 0.00 C ATOM 1633 NZ LYS A 102 183.158 -4.743 -13.274 1.00 0.00 N ATOM 0 H LYS A 102 189.210 -3.999 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 102 187.782 -6.297 -12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 102 187.519 -3.344 -11.973 1.00 0.00 H new ATOM 0 HB3 LYS A 102 187.161 -4.078 -13.523 1.00 0.00 H new ATOM 0 HG2 LYS A 102 185.875 -4.863 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 102 185.147 -3.822 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 102 185.627 -5.859 -13.717 1.00 0.00 H new ATOM 0 HD3 LYS A 102 185.707 -6.783 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 102 183.431 -6.839 -13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 102 183.448 -6.001 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 182.208 -4.989 -13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 183.085 -3.973 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 183.748 -4.434 -14.073 1.00 0.00 H new ATOM 1647 N ASP A 103 189.700 -6.709 -13.602 1.00 0.00 N ATOM 1648 CA ASP A 103 190.573 -6.994 -14.733 1.00 0.00 C ATOM 1649 C ASP A 103 189.766 -7.494 -15.926 1.00 0.00 C ATOM 1650 O ASP A 103 190.048 -7.143 -17.072 1.00 0.00 O ATOM 1651 CB ASP A 103 191.625 -8.032 -14.341 1.00 0.00 C ATOM 1652 CG ASP A 103 191.010 -9.279 -13.734 1.00 0.00 C ATOM 1653 OD1 ASP A 103 190.314 -10.014 -14.467 1.00 0.00 O ATOM 1654 OD2 ASP A 103 191.224 -9.520 -12.528 1.00 0.00 O ATOM 0 H ASP A 103 189.538 -7.504 -12.984 1.00 0.00 H new ATOM 0 HA ASP A 103 191.075 -6.069 -15.018 1.00 0.00 H new ATOM 0 HB2 ASP A 103 192.205 -8.308 -15.222 1.00 0.00 H new ATOM 0 HB3 ASP A 103 192.320 -7.589 -13.628 1.00 0.00 H new ATOM 1659 N ALA A 104 188.763 -8.320 -15.650 1.00 0.00 N ATOM 1660 CA ALA A 104 187.915 -8.870 -16.699 1.00 0.00 C ATOM 1661 C ALA A 104 186.734 -7.951 -16.995 1.00 0.00 C ATOM 1662 O ALA A 104 185.597 -8.251 -16.633 1.00 0.00 O ATOM 1663 CB ALA A 104 187.423 -10.254 -16.302 1.00 0.00 C ATOM 0 H ALA A 104 188.518 -8.623 -14.707 1.00 0.00 H new ATOM 0 HA ALA A 104 188.511 -8.951 -17.608 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.790 -10.656 -17.093 1.00 0.00 H new ATOM 0 HB2 ALA A 104 188.277 -10.914 -16.150 1.00 0.00 H new ATOM 0 HB3 ALA A 104 186.849 -10.185 -15.378 1.00 0.00 H new ATOM 1669 N ASN A 105 187.010 -6.830 -17.653 1.00 0.00 N ATOM 1670 CA ASN A 105 185.968 -5.869 -17.995 1.00 0.00 C ATOM 1671 C ASN A 105 185.203 -6.312 -19.238 1.00 0.00 C ATOM 1672 O ASN A 105 183.993 -6.538 -19.187 1.00 0.00 O ATOM 1673 CB ASN A 105 186.577 -4.485 -18.223 1.00 0.00 C ATOM 1674 CG ASN A 105 187.052 -3.845 -16.933 1.00 0.00 C ATOM 1675 OD1 ASN A 105 188.230 -3.528 -16.781 1.00 0.00 O ATOM 1676 ND2 ASN A 105 186.131 -3.651 -15.995 1.00 0.00 N ATOM 0 H ASN A 105 187.946 -6.565 -17.960 1.00 0.00 H new ATOM 0 HA ASN A 105 185.269 -5.818 -17.160 1.00 0.00 H new ATOM 0 HB2 ASN A 105 187.415 -4.569 -18.914 1.00 0.00 H new ATOM 0 HB3 ASN A 105 185.838 -3.839 -18.696 1.00 0.00 H new ATOM 0 HD21 ASN A 105 186.391 -3.223 -15.106 1.00 0.00 H new ATOM 0 HD22 ASN A 105 185.164 -3.930 -16.164 1.00 0.00 H new ATOM 1683 N PHE A 106 185.914 -6.430 -20.354 1.00 0.00 N ATOM 1684 CA PHE A 106 185.301 -6.845 -21.609 1.00 0.00 C ATOM 1685 C PHE A 106 185.126 -8.360 -21.659 1.00 0.00 C ATOM 1686 O PHE A 106 186.028 -9.086 -22.075 1.00 0.00 O ATOM 1687 CB PHE A 106 186.151 -6.379 -22.794 1.00 0.00 C ATOM 1688 CG PHE A 106 186.530 -4.928 -22.727 1.00 0.00 C ATOM 1689 CD1 PHE A 106 187.627 -4.518 -21.986 1.00 0.00 C ATOM 1690 CD2 PHE A 106 185.789 -3.973 -23.404 1.00 0.00 C ATOM 1691 CE1 PHE A 106 187.978 -3.184 -21.922 1.00 0.00 C ATOM 1692 CE2 PHE A 106 186.135 -2.636 -23.344 1.00 0.00 C ATOM 1693 CZ PHE A 106 187.231 -2.241 -22.602 1.00 0.00 C ATOM 0 H PHE A 106 186.915 -6.244 -20.415 1.00 0.00 H new ATOM 0 HA PHE A 106 184.316 -6.383 -21.671 1.00 0.00 H new ATOM 0 HB2 PHE A 106 187.058 -6.981 -22.839 1.00 0.00 H new ATOM 0 HB3 PHE A 106 185.602 -6.560 -23.718 1.00 0.00 H new ATOM 0 HD1 PHE A 106 188.214 -5.250 -21.452 1.00 0.00 H new ATOM 0 HD2 PHE A 106 184.931 -4.277 -23.985 1.00 0.00 H new ATOM 0 HE1 PHE A 106 188.835 -2.878 -21.341 1.00 0.00 H new ATOM 0 HE2 PHE A 106 185.549 -1.901 -23.877 1.00 0.00 H new ATOM 0 HZ PHE A 106 187.504 -1.197 -22.553 1.00 0.00 H new ATOM 1703 N VAL A 107 183.959 -8.829 -21.230 1.00 0.00 N ATOM 1704 CA VAL A 107 183.665 -10.257 -21.226 1.00 0.00 C ATOM 1705 C VAL A 107 182.996 -10.681 -22.529 1.00 0.00 C ATOM 1706 O VAL A 107 182.036 -10.056 -22.977 1.00 0.00 O ATOM 1707 CB VAL A 107 182.752 -10.642 -20.045 1.00 0.00 C ATOM 1708 CG1 VAL A 107 182.722 -12.152 -19.864 1.00 0.00 C ATOM 1709 CG2 VAL A 107 183.213 -9.957 -18.766 1.00 0.00 C ATOM 0 H VAL A 107 183.202 -8.241 -20.881 1.00 0.00 H new ATOM 0 HA VAL A 107 184.618 -10.776 -21.121 1.00 0.00 H new ATOM 0 HB VAL A 107 181.740 -10.303 -20.268 1.00 0.00 H new ATOM 0 HG11 VAL A 107 182.073 -12.405 -19.026 1.00 0.00 H new ATOM 0 HG12 VAL A 107 182.342 -12.620 -20.772 1.00 0.00 H new ATOM 0 HG13 VAL A 107 183.730 -12.515 -19.664 1.00 0.00 H new ATOM 0 HG21 VAL A 107 182.556 -10.241 -17.944 1.00 0.00 H new ATOM 0 HG22 VAL A 107 184.234 -10.263 -18.537 1.00 0.00 H new ATOM 0 HG23 VAL A 107 183.180 -8.876 -18.900 1.00 0.00 H new ATOM 1719 N GLU A 108 183.511 -11.746 -23.134 1.00 0.00 N ATOM 1720 CA GLU A 108 182.965 -12.254 -24.387 1.00 0.00 C ATOM 1721 C GLU A 108 181.937 -13.350 -24.124 1.00 0.00 C ATOM 1722 O GLU A 108 181.415 -13.474 -23.015 1.00 0.00 O ATOM 1723 CB GLU A 108 184.092 -12.784 -25.277 1.00 0.00 C ATOM 1724 CG GLU A 108 185.314 -11.880 -25.318 1.00 0.00 C ATOM 1725 CD GLU A 108 185.633 -11.394 -26.719 1.00 0.00 C ATOM 1726 OE1 GLU A 108 184.702 -10.936 -27.416 1.00 0.00 O ATOM 1727 OE2 GLU A 108 186.813 -11.471 -27.120 1.00 0.00 O ATOM 0 H GLU A 108 184.307 -12.275 -22.776 1.00 0.00 H new ATOM 0 HA GLU A 108 182.465 -11.434 -24.902 1.00 0.00 H new ATOM 0 HB2 GLU A 108 184.392 -13.770 -24.921 1.00 0.00 H new ATOM 0 HB3 GLU A 108 183.712 -12.913 -26.291 1.00 0.00 H new ATOM 0 HG2 GLU A 108 185.148 -11.021 -24.668 1.00 0.00 H new ATOM 0 HG3 GLU A 108 186.174 -12.419 -24.920 1.00 0.00 H new ATOM 1734 N GLU A 109 181.645 -14.142 -25.151 1.00 0.00 N ATOM 1735 CA GLU A 109 180.673 -15.224 -25.033 1.00 0.00 C ATOM 1736 C GLU A 109 181.365 -16.555 -24.754 1.00 0.00 C ATOM 1737 O GLU A 109 180.862 -17.616 -25.126 1.00 0.00 O ATOM 1738 CB GLU A 109 179.835 -15.335 -26.312 1.00 0.00 C ATOM 1739 CG GLU A 109 179.705 -14.028 -27.080 1.00 0.00 C ATOM 1740 CD GLU A 109 180.742 -13.892 -28.178 1.00 0.00 C ATOM 1741 OE1 GLU A 109 181.743 -14.640 -28.146 1.00 0.00 O ATOM 1742 OE2 GLU A 109 180.553 -13.039 -29.070 1.00 0.00 O ATOM 0 H GLU A 109 182.068 -14.055 -26.075 1.00 0.00 H new ATOM 0 HA GLU A 109 180.017 -14.991 -24.194 1.00 0.00 H new ATOM 0 HB2 GLU A 109 180.283 -16.085 -26.964 1.00 0.00 H new ATOM 0 HB3 GLU A 109 178.839 -15.693 -26.052 1.00 0.00 H new ATOM 0 HG2 GLU A 109 178.708 -13.965 -27.517 1.00 0.00 H new ATOM 0 HG3 GLU A 109 179.803 -13.192 -26.387 1.00 0.00 H new ATOM 1749 N VAL A 110 182.520 -16.494 -24.098 1.00 0.00 N ATOM 1750 CA VAL A 110 183.278 -17.698 -23.773 1.00 0.00 C ATOM 1751 C VAL A 110 183.253 -17.976 -22.283 1.00 0.00 C ATOM 1752 O VAL A 110 182.724 -18.988 -21.827 1.00 0.00 O ATOM 1753 CB VAL A 110 184.744 -17.590 -24.239 1.00 0.00 C ATOM 1754 CG1 VAL A 110 185.410 -18.959 -24.236 1.00 0.00 C ATOM 1755 CG2 VAL A 110 184.826 -16.953 -25.620 1.00 0.00 C ATOM 0 H VAL A 110 182.951 -15.625 -23.781 1.00 0.00 H new ATOM 0 HA VAL A 110 182.798 -18.521 -24.303 1.00 0.00 H new ATOM 0 HB VAL A 110 185.278 -16.949 -23.538 1.00 0.00 H new ATOM 0 HG11 VAL A 110 186.444 -18.861 -24.568 1.00 0.00 H new ATOM 0 HG12 VAL A 110 185.390 -19.371 -23.227 1.00 0.00 H new ATOM 0 HG13 VAL A 110 184.874 -19.626 -24.911 1.00 0.00 H new ATOM 0 HG21 VAL A 110 185.869 -16.887 -25.929 1.00 0.00 H new ATOM 0 HG22 VAL A 110 184.274 -17.563 -26.335 1.00 0.00 H new ATOM 0 HG23 VAL A 110 184.394 -15.953 -25.586 1.00 0.00 H new ATOM 1765 N GLU A 111 183.838 -17.064 -21.538 1.00 0.00 N ATOM 1766 CA GLU A 111 183.908 -17.178 -20.086 1.00 0.00 C ATOM 1767 C GLU A 111 182.772 -16.408 -19.422 1.00 0.00 C ATOM 1768 O GLU A 111 182.945 -15.262 -19.007 1.00 0.00 O ATOM 1769 CB GLU A 111 185.254 -16.659 -19.579 1.00 0.00 C ATOM 1770 CG GLU A 111 185.641 -15.309 -20.161 1.00 0.00 C ATOM 1771 CD GLU A 111 186.432 -14.459 -19.188 1.00 0.00 C ATOM 1772 OE1 GLU A 111 186.996 -15.024 -18.226 1.00 0.00 O ATOM 1773 OE2 GLU A 111 186.490 -13.228 -19.385 1.00 0.00 O ATOM 0 H GLU A 111 184.279 -16.224 -21.913 1.00 0.00 H new ATOM 0 HA GLU A 111 183.809 -18.232 -19.825 1.00 0.00 H new ATOM 0 HB2 GLU A 111 185.218 -16.581 -18.492 1.00 0.00 H new ATOM 0 HB3 GLU A 111 186.029 -17.386 -19.821 1.00 0.00 H new ATOM 0 HG2 GLU A 111 186.230 -15.463 -21.065 1.00 0.00 H new ATOM 0 HG3 GLU A 111 184.739 -14.773 -20.456 1.00 0.00 H new ATOM 1780 N GLU A 112 181.610 -17.043 -19.323 1.00 0.00 N ATOM 1781 CA GLU A 112 180.445 -16.416 -18.705 1.00 0.00 C ATOM 1782 C GLU A 112 180.527 -16.497 -17.183 1.00 0.00 C ATOM 1783 O GLU A 112 179.667 -17.098 -16.536 1.00 0.00 O ATOM 1784 CB GLU A 112 179.159 -17.082 -19.199 1.00 0.00 C ATOM 1785 CG GLU A 112 179.131 -17.312 -20.701 1.00 0.00 C ATOM 1786 CD GLU A 112 177.815 -17.893 -21.176 1.00 0.00 C ATOM 1787 OE1 GLU A 112 176.757 -17.462 -20.671 1.00 0.00 O ATOM 1788 OE2 GLU A 112 177.840 -18.781 -22.055 1.00 0.00 O ATOM 0 H GLU A 112 181.448 -17.991 -19.662 1.00 0.00 H new ATOM 0 HA GLU A 112 180.432 -15.365 -18.993 1.00 0.00 H new ATOM 0 HB2 GLU A 112 179.037 -18.039 -18.691 1.00 0.00 H new ATOM 0 HB3 GLU A 112 178.308 -16.462 -18.919 1.00 0.00 H new ATOM 0 HG2 GLU A 112 179.313 -16.367 -21.213 1.00 0.00 H new ATOM 0 HG3 GLU A 112 179.942 -17.986 -20.977 1.00 0.00 H new ATOM 1795 N GLU A 113 181.564 -15.892 -16.617 1.00 0.00 N ATOM 1796 CA GLU A 113 181.756 -15.894 -15.170 1.00 0.00 C ATOM 1797 C GLU A 113 181.206 -14.616 -14.546 1.00 0.00 C ATOM 1798 O GLU A 113 181.975 -13.641 -14.420 1.00 0.00 O ATOM 1799 CB GLU A 113 183.241 -16.044 -14.832 1.00 0.00 C ATOM 1800 CG GLU A 113 183.521 -16.096 -13.338 1.00 0.00 C ATOM 1801 CD GLU A 113 184.528 -17.168 -12.973 1.00 0.00 C ATOM 1802 OE1 GLU A 113 185.744 -16.880 -13.014 1.00 0.00 O ATOM 1803 OE2 GLU A 113 184.104 -18.296 -12.644 1.00 0.00 O ATOM 1804 OXT GLU A 113 180.009 -14.603 -14.188 1.00 0.00 O ATOM 0 H GLU A 113 182.286 -15.393 -17.137 1.00 0.00 H new ATOM 0 HA GLU A 113 181.209 -16.742 -14.757 1.00 0.00 H new ATOM 0 HB2 GLU A 113 183.621 -16.954 -15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 113 183.791 -15.210 -15.268 1.00 0.00 H new ATOM 0 HG2 GLU A 113 183.892 -15.126 -13.007 1.00 0.00 H new ATOM 0 HG3 GLU A 113 182.589 -16.280 -12.803 1.00 0.00 H new TER 1811 GLU A 113