USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 -159:sc= 0.0695 USER MOD Set 1.2: A 38 HIS : no HE2:sc= -0.757 X(o=-0.69,f=-0.39) USER MOD Set 2.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 4 ASN : amide:sc= -1.7 K(o=-4.1,f=-7.8!) USER MOD Set 2.3: A 36 ASN : amide:sc= -2.4! C(o=-4.1!,f=-9.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -1.42 (180deg=-1.53!) USER MOD Single : A 3 MET CE :methyl -122:sc= -0.205 (180deg=-3.71!) USER MOD Single : A 7 SER OG : rot -129:sc= 0.861 USER MOD Single : A 8 LYS NZ :NH3+ 149:sc= -0.277 (180deg=-1.26!) USER MOD Single : A 9 GLN : amide:sc= -3.68 X(o=-3.7,f=-3.5!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 18 GLN : amide:sc=-0.00782 X(o=-0.0078,f=-0.46) USER MOD Single : A 19 HIS : no HD1:sc= -8.84! C(o=-8.8!,f=-8.9!) USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= 0.85 (180deg=0.0838) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.1!) USER MOD Single : A 32 THR OG1 : rot 40:sc= 0.16 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.728 F(o=-2,f=-0.73) USER MOD Single : A 42 SER OG : rot 150:sc= -1.32! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.48) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= -0.0481 (180deg=-0.355) USER MOD Single : A 67 HIS : no HE2:sc=-0.00542 K(o=-0.0054,f=-1.5) USER MOD Single : A 70 MET CE :methyl 147:sc= -1.08 (180deg=-2.08!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 75 ASN : amide:sc= 1.17 K(o=1.2,f=-0.025) USER MOD Single : A 79 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0527 F(o=-1,f=-0.053) USER MOD Single : A 86 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.3!) USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= -0.0106 (180deg=-0.595) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.191 -0.854 -6.503 1.00 0.00 N ATOM 2 CA MET A 1 185.376 -0.854 -7.981 1.00 0.00 C ATOM 3 C MET A 1 184.648 -2.028 -8.637 1.00 0.00 C ATOM 4 O MET A 1 184.168 -1.917 -9.765 1.00 0.00 O ATOM 5 CB MET A 1 186.874 -0.926 -8.293 1.00 0.00 C ATOM 6 CG MET A 1 187.612 0.378 -8.037 1.00 0.00 C ATOM 7 SD MET A 1 188.780 0.786 -9.348 1.00 0.00 S ATOM 8 CE MET A 1 190.215 1.262 -8.390 1.00 0.00 C ATOM 0 H1 MET A 1 185.816 -0.142 -6.075 1.00 0.00 H new ATOM 0 H2 MET A 1 184.202 -0.627 -6.277 1.00 0.00 H new ATOM 0 H3 MET A 1 185.426 -1.793 -6.124 1.00 0.00 H new ATOM 0 HA MET A 1 184.950 0.064 -8.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.325 -1.714 -7.689 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.006 -1.210 -9.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 186.888 1.187 -7.937 1.00 0.00 H new ATOM 0 HG3 MET A 1 188.146 0.308 -7.089 1.00 0.00 H new ATOM 0 HE1 MET A 1 191.025 1.543 -9.063 1.00 0.00 H new ATOM 0 HE2 MET A 1 189.962 2.110 -7.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 190.533 0.424 -7.770 1.00 0.00 H new ATOM 20 N THR A 2 184.575 -3.149 -7.926 1.00 0.00 N ATOM 21 CA THR A 2 183.910 -4.340 -8.445 1.00 0.00 C ATOM 22 C THR A 2 182.417 -4.334 -8.121 1.00 0.00 C ATOM 23 O THR A 2 181.633 -5.032 -8.765 1.00 0.00 O ATOM 24 CB THR A 2 184.563 -5.601 -7.875 1.00 0.00 C ATOM 25 OG1 THR A 2 183.952 -6.764 -8.406 1.00 0.00 O ATOM 26 CG2 THR A 2 184.485 -5.687 -6.368 1.00 0.00 C ATOM 0 H THR A 2 184.967 -3.258 -6.991 1.00 0.00 H new ATOM 0 HA THR A 2 184.019 -4.335 -9.529 1.00 0.00 H new ATOM 0 HB THR A 2 185.612 -5.539 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 2 184.383 -7.560 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.967 -6.605 -6.031 1.00 0.00 H new ATOM 0 HG22 THR A 2 184.992 -4.828 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.440 -5.690 -6.057 1.00 0.00 H new ATOM 34 N MET A 3 182.026 -3.546 -7.121 1.00 0.00 N ATOM 35 CA MET A 3 180.625 -3.458 -6.721 1.00 0.00 C ATOM 36 C MET A 3 180.104 -4.809 -6.242 1.00 0.00 C ATOM 37 O MET A 3 179.536 -5.577 -7.019 1.00 0.00 O ATOM 38 CB MET A 3 179.769 -2.953 -7.884 1.00 0.00 C ATOM 39 CG MET A 3 179.856 -1.450 -8.095 1.00 0.00 C ATOM 40 SD MET A 3 178.243 -0.687 -8.350 1.00 0.00 S ATOM 41 CE MET A 3 177.554 -0.797 -6.701 1.00 0.00 C ATOM 0 H MET A 3 182.659 -2.961 -6.575 1.00 0.00 H new ATOM 0 HA MET A 3 180.558 -2.751 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.079 -3.459 -8.799 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.729 -3.227 -7.705 1.00 0.00 H new ATOM 0 HG2 MET A 3 180.336 -0.993 -7.230 1.00 0.00 H new ATOM 0 HG3 MET A 3 180.491 -1.245 -8.957 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.620 -1.358 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 3 178.260 -1.306 -6.045 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.362 0.206 -6.319 1.00 0.00 H new ATOM 51 N ASN A 4 180.299 -5.093 -4.958 1.00 0.00 N ATOM 52 CA ASN A 4 179.848 -6.353 -4.377 1.00 0.00 C ATOM 53 C ASN A 4 178.575 -6.151 -3.559 1.00 0.00 C ATOM 54 O ASN A 4 178.606 -5.554 -2.482 1.00 0.00 O ATOM 55 CB ASN A 4 180.943 -6.955 -3.494 1.00 0.00 C ATOM 56 CG ASN A 4 182.294 -6.972 -4.182 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.445 -7.534 -5.266 1.00 0.00 O ATOM 58 ND2 ASN A 4 183.284 -6.351 -3.552 1.00 0.00 N ATOM 0 H ASN A 4 180.766 -4.468 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 4 179.630 -7.041 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.016 -6.383 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.666 -7.972 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 4 184.216 -6.327 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 4 183.113 -5.898 -2.654 1.00 0.00 H new ATOM 65 N ILE A 5 177.459 -6.653 -4.077 1.00 0.00 N ATOM 66 CA ILE A 5 176.175 -6.530 -3.397 1.00 0.00 C ATOM 67 C ILE A 5 175.622 -7.906 -3.033 1.00 0.00 C ATOM 68 O ILE A 5 175.394 -8.744 -3.906 1.00 0.00 O ATOM 69 CB ILE A 5 175.146 -5.776 -4.271 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.563 -4.314 -4.444 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.752 -5.859 -3.662 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.879 -4.138 -5.168 1.00 0.00 C ATOM 0 H ILE A 5 177.418 -7.150 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 5 176.344 -5.958 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 5 175.120 -6.252 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.783 -3.786 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 5 175.634 -3.847 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.046 -5.321 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.449 -6.903 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 5 173.762 -5.412 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 5 177.108 -3.076 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 5 177.671 -4.637 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 5 176.807 -4.574 -6.164 1.00 0.00 H new ATOM 84 N THR A 6 175.407 -8.130 -1.741 1.00 0.00 N ATOM 85 CA THR A 6 174.880 -9.403 -1.263 1.00 0.00 C ATOM 86 C THR A 6 173.877 -9.184 -0.136 1.00 0.00 C ATOM 87 O THR A 6 174.246 -9.149 1.039 1.00 0.00 O ATOM 88 CB THR A 6 176.018 -10.310 -0.787 1.00 0.00 C ATOM 89 OG1 THR A 6 177.188 -9.553 -0.528 1.00 0.00 O ATOM 90 CG2 THR A 6 176.380 -11.388 -1.784 1.00 0.00 C ATOM 0 H THR A 6 175.590 -7.447 -1.006 1.00 0.00 H new ATOM 0 HA THR A 6 174.367 -9.890 -2.092 1.00 0.00 H new ATOM 0 HB THR A 6 175.647 -10.787 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.971 -10.141 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.193 -11.995 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.511 -12.020 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.697 -10.927 -2.719 1.00 0.00 H new ATOM 98 N SER A 7 172.610 -9.032 -0.502 1.00 0.00 N ATOM 99 CA SER A 7 171.550 -8.812 0.474 1.00 0.00 C ATOM 100 C SER A 7 170.887 -10.122 0.873 1.00 0.00 C ATOM 101 O SER A 7 171.116 -11.162 0.254 1.00 0.00 O ATOM 102 CB SER A 7 170.492 -7.870 -0.095 1.00 0.00 C ATOM 103 OG SER A 7 170.917 -6.520 -0.016 1.00 0.00 O ATOM 0 H SER A 7 172.291 -9.057 -1.471 1.00 0.00 H new ATOM 0 HA SER A 7 172.005 -8.365 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.289 -8.131 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.558 -7.993 0.453 1.00 0.00 H new ATOM 0 HG SER A 7 170.213 -5.979 0.400 1.00 0.00 H new ATOM 109 N LYS A 8 170.049 -10.058 1.899 1.00 0.00 N ATOM 110 CA LYS A 8 169.333 -11.232 2.370 1.00 0.00 C ATOM 111 C LYS A 8 168.115 -11.489 1.475 1.00 0.00 C ATOM 112 O LYS A 8 168.142 -11.176 0.286 1.00 0.00 O ATOM 113 CB LYS A 8 168.922 -11.042 3.836 1.00 0.00 C ATOM 114 CG LYS A 8 169.357 -12.183 4.742 1.00 0.00 C ATOM 115 CD LYS A 8 168.203 -13.119 5.059 1.00 0.00 C ATOM 116 CE LYS A 8 168.213 -14.341 4.155 1.00 0.00 C ATOM 117 NZ LYS A 8 169.505 -15.076 4.228 1.00 0.00 N ATOM 0 H LYS A 8 169.849 -9.204 2.420 1.00 0.00 H new ATOM 0 HA LYS A 8 169.984 -12.105 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.350 -10.111 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 8 167.838 -10.939 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.159 -12.744 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.762 -11.778 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 8 168.265 -13.435 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 167.259 -12.587 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 8 167.399 -15.009 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 8 168.029 -14.033 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 169.337 -16.090 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 170.153 -14.713 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 169.929 -14.940 5.168 1.00 0.00 H new ATOM 131 N GLN A 9 167.053 -12.055 2.043 1.00 0.00 N ATOM 132 CA GLN A 9 165.840 -12.345 1.280 1.00 0.00 C ATOM 133 C GLN A 9 165.380 -11.124 0.488 1.00 0.00 C ATOM 134 O GLN A 9 164.774 -11.255 -0.576 1.00 0.00 O ATOM 135 CB GLN A 9 164.724 -12.813 2.217 1.00 0.00 C ATOM 136 CG GLN A 9 164.219 -11.733 3.163 1.00 0.00 C ATOM 137 CD GLN A 9 165.024 -11.659 4.446 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.054 -12.609 5.228 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.681 -10.526 4.668 1.00 0.00 N ATOM 0 H GLN A 9 167.007 -12.322 3.026 1.00 0.00 H new ATOM 0 HA GLN A 9 166.071 -13.141 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 9 163.889 -13.177 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.086 -13.656 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.256 -10.767 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.174 -11.927 3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.627 -9.764 3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.239 -10.418 5.515 1.00 0.00 H new ATOM 148 N MET A 10 165.670 -9.937 1.012 1.00 0.00 N ATOM 149 CA MET A 10 165.285 -8.696 0.351 1.00 0.00 C ATOM 150 C MET A 10 166.327 -8.291 -0.689 1.00 0.00 C ATOM 151 O MET A 10 167.445 -7.909 -0.344 1.00 0.00 O ATOM 152 CB MET A 10 165.108 -7.576 1.381 1.00 0.00 C ATOM 153 CG MET A 10 164.758 -6.230 0.766 1.00 0.00 C ATOM 154 SD MET A 10 163.188 -6.258 -0.122 1.00 0.00 S ATOM 155 CE MET A 10 162.654 -4.560 0.074 1.00 0.00 C ATOM 0 H MET A 10 166.170 -9.809 1.892 1.00 0.00 H new ATOM 0 HA MET A 10 164.335 -8.862 -0.157 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.324 -7.860 2.082 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.028 -7.474 1.956 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.713 -5.477 1.552 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.552 -5.930 0.082 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.694 -4.421 -0.423 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.550 -4.332 1.135 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.393 -3.893 -0.370 1.00 0.00 H new ATOM 165 N GLU A 11 165.952 -8.378 -1.960 1.00 0.00 N ATOM 166 CA GLU A 11 166.852 -8.019 -3.049 1.00 0.00 C ATOM 167 C GLU A 11 167.111 -6.516 -3.065 1.00 0.00 C ATOM 168 O GLU A 11 166.803 -5.815 -2.102 1.00 0.00 O ATOM 169 CB GLU A 11 166.265 -8.469 -4.393 1.00 0.00 C ATOM 170 CG GLU A 11 165.047 -7.666 -4.824 1.00 0.00 C ATOM 171 CD GLU A 11 164.259 -8.349 -5.926 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.838 -8.590 -7.006 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.065 -8.639 -5.708 1.00 0.00 O ATOM 0 H GLU A 11 165.030 -8.694 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 11 167.802 -8.529 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 11 167.034 -8.388 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.991 -9.522 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.398 -7.507 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 11 165.368 -6.682 -5.167 1.00 0.00 H new ATOM 180 N ILE A 12 167.672 -6.025 -4.166 1.00 0.00 N ATOM 181 CA ILE A 12 167.963 -4.604 -4.303 1.00 0.00 C ATOM 182 C ILE A 12 166.894 -3.910 -5.138 1.00 0.00 C ATOM 183 O ILE A 12 166.794 -4.133 -6.345 1.00 0.00 O ATOM 184 CB ILE A 12 169.344 -4.362 -4.950 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.353 -5.420 -4.492 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.848 -2.967 -4.610 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.389 -5.620 -2.991 1.00 0.00 C ATOM 0 H ILE A 12 167.933 -6.590 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 12 167.971 -4.185 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 12 169.234 -4.442 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.112 -6.369 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.347 -5.133 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.822 -2.809 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.144 -2.224 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.939 -2.867 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.126 -6.384 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.660 -4.683 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.406 -5.938 -2.643 1.00 0.00 H new ATOM 199 N THR A 13 166.096 -3.070 -4.488 1.00 0.00 N ATOM 200 CA THR A 13 165.030 -2.345 -5.170 1.00 0.00 C ATOM 201 C THR A 13 165.603 -1.181 -5.977 1.00 0.00 C ATOM 202 O THR A 13 166.694 -0.692 -5.685 1.00 0.00 O ATOM 203 CB THR A 13 164.009 -1.827 -4.156 1.00 0.00 C ATOM 204 OG1 THR A 13 164.593 -0.856 -3.308 1.00 0.00 O ATOM 205 CG2 THR A 13 163.434 -2.917 -3.278 1.00 0.00 C ATOM 0 H THR A 13 166.167 -2.874 -3.489 1.00 0.00 H new ATOM 0 HA THR A 13 164.532 -3.031 -5.855 1.00 0.00 H new ATOM 0 HB THR A 13 163.203 -1.398 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.924 -0.536 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.717 -2.483 -2.581 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.932 -3.658 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.238 -3.396 -2.719 1.00 0.00 H new ATOM 213 N PRO A 14 164.874 -0.722 -7.009 1.00 0.00 N ATOM 214 CA PRO A 14 165.318 0.388 -7.857 1.00 0.00 C ATOM 215 C PRO A 14 165.736 1.611 -7.044 1.00 0.00 C ATOM 216 O PRO A 14 166.756 2.240 -7.329 1.00 0.00 O ATOM 217 CB PRO A 14 164.087 0.711 -8.721 1.00 0.00 C ATOM 218 CG PRO A 14 162.953 -0.050 -8.114 1.00 0.00 C ATOM 219 CD PRO A 14 163.568 -1.238 -7.434 1.00 0.00 C ATOM 0 HA PRO A 14 166.199 0.119 -8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.882 1.782 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.247 0.413 -9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.406 0.567 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.241 -0.363 -8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.970 -1.575 -6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.668 -2.086 -8.111 1.00 0.00 H new ATOM 227 N ALA A 15 164.942 1.940 -6.031 1.00 0.00 N ATOM 228 CA ALA A 15 165.226 3.089 -5.177 1.00 0.00 C ATOM 229 C ALA A 15 166.544 2.917 -4.428 1.00 0.00 C ATOM 230 O ALA A 15 167.342 3.849 -4.337 1.00 0.00 O ATOM 231 CB ALA A 15 164.083 3.307 -4.196 1.00 0.00 C ATOM 0 H ALA A 15 164.096 1.428 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 15 165.321 3.967 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.305 4.167 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.161 3.491 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.963 2.420 -3.574 1.00 0.00 H new ATOM 237 N ILE A 16 166.763 1.724 -3.886 1.00 0.00 N ATOM 238 CA ILE A 16 167.985 1.439 -3.142 1.00 0.00 C ATOM 239 C ILE A 16 169.202 1.413 -4.063 1.00 0.00 C ATOM 240 O ILE A 16 170.221 2.042 -3.777 1.00 0.00 O ATOM 241 CB ILE A 16 167.883 0.095 -2.388 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.737 0.146 -1.375 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.197 -0.235 -1.689 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.421 -1.196 -0.753 1.00 0.00 C ATOM 0 H ILE A 16 166.113 0.941 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 16 168.109 2.243 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 16 167.678 -0.693 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.992 0.853 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.843 0.528 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.101 -1.186 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.994 -0.307 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.436 0.552 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.599 -1.085 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.135 -1.901 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.301 -1.571 -0.231 1.00 0.00 H new ATOM 256 N ARG A 17 169.095 0.683 -5.169 1.00 0.00 N ATOM 257 CA ARG A 17 170.194 0.584 -6.123 1.00 0.00 C ATOM 258 C ARG A 17 170.611 1.965 -6.622 1.00 0.00 C ATOM 259 O ARG A 17 171.759 2.173 -7.015 1.00 0.00 O ATOM 260 CB ARG A 17 169.804 -0.317 -7.301 1.00 0.00 C ATOM 261 CG ARG A 17 168.820 0.320 -8.273 1.00 0.00 C ATOM 262 CD ARG A 17 169.195 0.029 -9.718 1.00 0.00 C ATOM 263 NE ARG A 17 168.546 -1.183 -10.217 1.00 0.00 N ATOM 264 CZ ARG A 17 169.196 -2.205 -10.775 1.00 0.00 C ATOM 265 NH1 ARG A 17 170.515 -2.175 -10.917 1.00 0.00 N ATOM 266 NH2 ARG A 17 168.517 -3.264 -11.195 1.00 0.00 N ATOM 0 H ARG A 17 168.262 0.153 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 17 171.046 0.137 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.706 -0.596 -7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.369 -1.238 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 17 167.816 -0.055 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 17 168.795 1.398 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 17 168.913 0.876 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 17 170.277 -0.080 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 17 167.532 -1.251 -10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.044 -1.363 -10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 17 171.000 -2.963 -11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 17 167.503 -3.294 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 17 169.009 -4.049 -11.623 1.00 0.00 H new ATOM 280 N GLN A 18 169.672 2.908 -6.600 1.00 0.00 N ATOM 281 CA GLN A 18 169.946 4.268 -7.048 1.00 0.00 C ATOM 282 C GLN A 18 170.740 5.038 -5.996 1.00 0.00 C ATOM 283 O GLN A 18 171.734 5.694 -6.312 1.00 0.00 O ATOM 284 CB GLN A 18 168.638 5.001 -7.355 1.00 0.00 C ATOM 285 CG GLN A 18 168.702 5.861 -8.606 1.00 0.00 C ATOM 286 CD GLN A 18 169.597 7.074 -8.435 1.00 0.00 C ATOM 287 OE1 GLN A 18 169.588 7.724 -7.389 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.377 7.383 -9.464 1.00 0.00 N ATOM 0 H GLN A 18 168.717 2.754 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 18 170.543 4.210 -7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.839 4.269 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.376 5.630 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.067 5.259 -9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.696 6.190 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.352 6.816 -10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 18 171.002 8.187 -9.407 1.00 0.00 H new ATOM 297 N HIS A 19 170.295 4.955 -4.746 1.00 0.00 N ATOM 298 CA HIS A 19 170.969 5.645 -3.654 1.00 0.00 C ATOM 299 C HIS A 19 172.409 5.167 -3.514 1.00 0.00 C ATOM 300 O HIS A 19 173.344 5.969 -3.526 1.00 0.00 O ATOM 301 CB HIS A 19 170.212 5.431 -2.340 1.00 0.00 C ATOM 302 CG HIS A 19 169.578 6.680 -1.808 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.765 7.496 -2.569 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.639 7.253 -0.583 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.356 8.515 -1.834 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.872 8.390 -0.626 1.00 0.00 N ATOM 0 H HIS A 19 169.474 4.419 -4.466 1.00 0.00 H new ATOM 0 HA HIS A 19 170.983 6.710 -3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.440 4.677 -2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.900 5.035 -1.593 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.189 6.884 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.709 9.314 -2.165 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.725 9.035 0.151 1.00 0.00 H new ATOM 315 N VAL A 20 172.587 3.855 -3.387 1.00 0.00 N ATOM 316 CA VAL A 20 173.919 3.275 -3.252 1.00 0.00 C ATOM 317 C VAL A 20 174.790 3.634 -4.452 1.00 0.00 C ATOM 318 O VAL A 20 175.967 3.958 -4.302 1.00 0.00 O ATOM 319 CB VAL A 20 173.852 1.740 -3.112 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.250 1.144 -3.017 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.021 1.354 -1.898 1.00 0.00 C ATOM 0 H VAL A 20 171.827 3.175 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 20 174.362 3.691 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 20 173.372 1.335 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.178 0.061 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.812 1.390 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.762 1.554 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.983 0.268 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.474 1.773 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.010 1.744 -2.010 1.00 0.00 H new ATOM 331 N ALA A 21 174.200 3.577 -5.642 1.00 0.00 N ATOM 332 CA ALA A 21 174.921 3.900 -6.870 1.00 0.00 C ATOM 333 C ALA A 21 175.528 5.297 -6.798 1.00 0.00 C ATOM 334 O ALA A 21 176.619 5.538 -7.315 1.00 0.00 O ATOM 335 CB ALA A 21 173.993 3.787 -8.070 1.00 0.00 C ATOM 0 H ALA A 21 173.226 3.311 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 21 175.735 3.184 -6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.543 4.030 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.610 2.769 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.160 4.481 -7.953 1.00 0.00 H new ATOM 341 N ASP A 22 174.815 6.213 -6.151 1.00 0.00 N ATOM 342 CA ASP A 22 175.285 7.586 -6.007 1.00 0.00 C ATOM 343 C ASP A 22 176.398 7.674 -4.968 1.00 0.00 C ATOM 344 O ASP A 22 177.433 8.298 -5.202 1.00 0.00 O ATOM 345 CB ASP A 22 174.123 8.504 -5.614 1.00 0.00 C ATOM 346 CG ASP A 22 173.831 9.554 -6.668 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.665 10.466 -6.844 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.768 9.463 -7.316 1.00 0.00 O ATOM 0 H ASP A 22 173.910 6.029 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 22 175.686 7.912 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.229 7.903 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.356 8.996 -4.670 1.00 0.00 H new ATOM 353 N ARG A 23 176.177 7.045 -3.818 1.00 0.00 N ATOM 354 CA ARG A 23 177.161 7.051 -2.742 1.00 0.00 C ATOM 355 C ARG A 23 178.448 6.361 -3.178 1.00 0.00 C ATOM 356 O ARG A 23 179.545 6.868 -2.945 1.00 0.00 O ATOM 357 CB ARG A 23 176.592 6.361 -1.500 1.00 0.00 C ATOM 358 CG ARG A 23 175.896 7.313 -0.539 1.00 0.00 C ATOM 359 CD ARG A 23 174.483 7.638 -1.000 1.00 0.00 C ATOM 360 NE ARG A 23 174.239 9.077 -1.049 1.00 0.00 N ATOM 361 CZ ARG A 23 173.973 9.822 0.022 1.00 0.00 C ATOM 362 NH1 ARG A 23 173.920 9.268 1.226 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.760 11.123 -0.113 1.00 0.00 N ATOM 0 H ARG A 23 175.325 6.525 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 23 177.392 8.088 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.885 5.593 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 23 177.401 5.854 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.862 6.867 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.473 8.234 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.317 7.209 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 23 173.765 7.172 -0.325 1.00 0.00 H new ATOM 0 HE ARG A 23 174.274 9.539 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 23 174.083 8.267 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 23 173.716 9.843 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 23 173.800 11.553 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 173.556 11.694 0.707 1.00 0.00 H new ATOM 377 N LEU A 24 178.307 5.202 -3.814 1.00 0.00 N ATOM 378 CA LEU A 24 179.461 4.444 -4.286 1.00 0.00 C ATOM 379 C LEU A 24 180.281 5.267 -5.275 1.00 0.00 C ATOM 380 O LEU A 24 181.509 5.310 -5.195 1.00 0.00 O ATOM 381 CB LEU A 24 179.006 3.136 -4.942 1.00 0.00 C ATOM 382 CG LEU A 24 179.689 1.875 -4.413 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.203 2.018 -4.475 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.238 1.582 -2.990 1.00 0.00 C ATOM 0 H LEU A 24 177.406 4.768 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 24 180.089 4.210 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.930 3.033 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 24 179.184 3.204 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 24 179.399 1.037 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.670 1.110 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.511 2.179 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 24 181.513 2.868 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 24 179.734 0.681 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.498 2.422 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.158 1.433 -2.974 1.00 0.00 H new ATOM 396 N ALA A 25 179.591 5.923 -6.203 1.00 0.00 N ATOM 397 CA ALA A 25 180.252 6.748 -7.206 1.00 0.00 C ATOM 398 C ALA A 25 180.988 7.914 -6.555 1.00 0.00 C ATOM 399 O ALA A 25 182.098 8.263 -6.958 1.00 0.00 O ATOM 400 CB ALA A 25 179.240 7.260 -8.219 1.00 0.00 C ATOM 0 H ALA A 25 178.574 5.899 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 25 180.986 6.131 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.748 7.875 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.761 6.415 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.485 7.858 -7.709 1.00 0.00 H new ATOM 406 N LYS A 26 180.365 8.510 -5.544 1.00 0.00 N ATOM 407 CA LYS A 26 180.963 9.634 -4.836 1.00 0.00 C ATOM 408 C LYS A 26 182.244 9.203 -4.128 1.00 0.00 C ATOM 409 O LYS A 26 183.210 9.962 -4.054 1.00 0.00 O ATOM 410 CB LYS A 26 179.973 10.214 -3.822 1.00 0.00 C ATOM 411 CG LYS A 26 179.550 11.640 -4.134 1.00 0.00 C ATOM 412 CD LYS A 26 178.047 11.821 -3.991 1.00 0.00 C ATOM 413 CE LYS A 26 177.340 11.703 -5.332 1.00 0.00 C ATOM 414 NZ LYS A 26 176.070 12.480 -5.362 1.00 0.00 N ATOM 0 H LYS A 26 179.447 8.233 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 26 181.211 10.404 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.087 9.580 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.423 10.186 -2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 26 180.065 12.328 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 26 179.853 11.896 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 26 177.653 11.072 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.837 12.797 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.001 12.057 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 26 177.129 10.654 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 175.347 11.943 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 175.743 12.649 -4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 176.232 13.391 -5.836 1.00 0.00 H new ATOM 428 N LEU A 27 182.244 7.976 -3.618 1.00 0.00 N ATOM 429 CA LEU A 27 183.407 7.441 -2.920 1.00 0.00 C ATOM 430 C LEU A 27 184.579 7.261 -3.885 1.00 0.00 C ATOM 431 O LEU A 27 185.739 7.290 -3.477 1.00 0.00 O ATOM 432 CB LEU A 27 183.060 6.105 -2.256 1.00 0.00 C ATOM 433 CG LEU A 27 183.434 6.004 -0.774 1.00 0.00 C ATOM 434 CD1 LEU A 27 184.883 6.413 -0.555 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.504 6.864 0.069 1.00 0.00 C ATOM 0 H LEU A 27 181.453 7.334 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 27 183.701 8.152 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.988 5.933 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.564 5.305 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 27 183.322 4.965 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 27 185.127 6.334 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 27 185.537 5.756 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 27 185.024 7.443 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.784 6.781 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 182.585 7.904 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 27 181.477 6.524 -0.061 1.00 0.00 H new ATOM 447 N GLU A 28 184.268 7.085 -5.166 1.00 0.00 N ATOM 448 CA GLU A 28 185.299 6.910 -6.182 1.00 0.00 C ATOM 449 C GLU A 28 186.235 8.116 -6.211 1.00 0.00 C ATOM 450 O GLU A 28 187.395 8.004 -6.602 1.00 0.00 O ATOM 451 CB GLU A 28 184.660 6.706 -7.558 1.00 0.00 C ATOM 452 CG GLU A 28 185.124 5.442 -8.261 1.00 0.00 C ATOM 453 CD GLU A 28 184.807 4.186 -7.472 1.00 0.00 C ATOM 454 OE1 GLU A 28 183.904 4.239 -6.612 1.00 0.00 O ATOM 455 OE2 GLU A 28 185.464 3.151 -7.714 1.00 0.00 O ATOM 0 H GLU A 28 183.313 7.060 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 28 185.882 6.024 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.576 6.672 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.888 7.567 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 184.650 5.381 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.199 5.499 -8.430 1.00 0.00 H new ATOM 462 N LYS A 29 185.719 9.267 -5.789 1.00 0.00 N ATOM 463 CA LYS A 29 186.507 10.494 -5.760 1.00 0.00 C ATOM 464 C LYS A 29 186.840 10.894 -4.324 1.00 0.00 C ATOM 465 O LYS A 29 187.080 12.067 -4.037 1.00 0.00 O ATOM 466 CB LYS A 29 185.758 11.629 -6.464 1.00 0.00 C ATOM 467 CG LYS A 29 184.330 11.817 -5.975 1.00 0.00 C ATOM 468 CD LYS A 29 183.577 12.824 -6.830 1.00 0.00 C ATOM 469 CE LYS A 29 182.078 12.754 -6.583 1.00 0.00 C ATOM 470 NZ LYS A 29 181.428 14.083 -6.746 1.00 0.00 N ATOM 0 H LYS A 29 184.759 9.375 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 29 187.441 10.308 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 29 186.307 12.559 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.742 11.432 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 183.809 10.860 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 29 184.340 12.154 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 29 183.936 13.830 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 29 183.783 12.634 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 29 181.628 12.042 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 29 181.893 12.380 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 180.407 13.994 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 181.839 14.756 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 181.583 14.429 -7.714 1.00 0.00 H new ATOM 484 N TRP A 30 186.857 9.910 -3.429 1.00 0.00 N ATOM 485 CA TRP A 30 187.165 10.155 -2.024 1.00 0.00 C ATOM 486 C TRP A 30 188.614 9.778 -1.721 1.00 0.00 C ATOM 487 O TRP A 30 188.949 9.407 -0.599 1.00 0.00 O ATOM 488 CB TRP A 30 186.219 9.355 -1.124 1.00 0.00 C ATOM 489 CG TRP A 30 185.193 10.198 -0.427 1.00 0.00 C ATOM 490 CD1 TRP A 30 183.923 10.459 -0.854 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.344 10.883 0.822 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.276 11.264 0.052 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.127 11.538 1.089 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.392 11.008 1.740 1.00 0.00 C ATOM 495 CZ2 TRP A 30 183.929 12.305 2.235 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.193 11.770 2.878 1.00 0.00 C ATOM 497 CH2 TRP A 30 184.969 12.409 3.116 1.00 0.00 C ATOM 0 H TRP A 30 186.661 8.934 -3.653 1.00 0.00 H new ATOM 0 HA TRP A 30 187.029 11.218 -1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.710 8.602 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 30 186.807 8.822 -0.377 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.490 10.087 -1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.318 11.602 -0.034 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.339 10.519 1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 182.987 12.800 2.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 186.994 11.874 3.594 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.845 12.996 4.014 1.00 0.00 H new ATOM 508 N GLN A 31 189.467 9.864 -2.738 1.00 0.00 N ATOM 509 CA GLN A 31 190.884 9.527 -2.592 1.00 0.00 C ATOM 510 C GLN A 31 191.091 8.186 -1.880 1.00 0.00 C ATOM 511 O GLN A 31 192.193 7.888 -1.417 1.00 0.00 O ATOM 512 CB GLN A 31 191.612 10.635 -1.829 1.00 0.00 C ATOM 513 CG GLN A 31 191.760 11.923 -2.623 1.00 0.00 C ATOM 514 CD GLN A 31 193.025 12.683 -2.273 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.000 12.102 -1.795 1.00 0.00 O ATOM 516 NE2 GLN A 31 193.016 13.989 -2.512 1.00 0.00 N ATOM 0 H GLN A 31 189.202 10.165 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 31 191.299 9.435 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.070 10.846 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.601 10.278 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 31 191.763 11.690 -3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 31 190.895 12.560 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 31 192.186 14.429 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 31 193.839 14.552 -2.299 1.00 0.00 H new ATOM 525 N THR A 32 190.035 7.381 -1.795 1.00 0.00 N ATOM 526 CA THR A 32 190.119 6.079 -1.141 1.00 0.00 C ATOM 527 C THR A 32 190.739 5.041 -2.076 1.00 0.00 C ATOM 528 O THR A 32 191.905 4.685 -1.920 1.00 0.00 O ATOM 529 CB THR A 32 188.728 5.623 -0.692 1.00 0.00 C ATOM 530 OG1 THR A 32 188.200 6.512 0.276 1.00 0.00 O ATOM 531 CG2 THR A 32 188.715 4.234 -0.092 1.00 0.00 C ATOM 0 H THR A 32 189.114 7.607 -2.170 1.00 0.00 H new ATOM 0 HA THR A 32 190.760 6.176 -0.265 1.00 0.00 H new ATOM 0 HB THR A 32 188.121 5.614 -1.598 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.421 7.434 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.698 3.975 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.072 3.516 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 32 189.365 4.209 0.783 1.00 0.00 H new ATOM 539 N HIS A 33 189.934 4.570 -3.038 1.00 0.00 N ATOM 540 CA HIS A 33 190.341 3.566 -4.039 1.00 0.00 C ATOM 541 C HIS A 33 189.552 2.269 -3.876 1.00 0.00 C ATOM 542 O HIS A 33 189.830 1.286 -4.563 1.00 0.00 O ATOM 543 CB HIS A 33 191.842 3.250 -3.996 1.00 0.00 C ATOM 544 CG HIS A 33 192.700 4.300 -4.634 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.936 5.588 -4.287 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.438 4.072 -5.775 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 193.805 6.107 -5.215 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 194.092 5.173 -6.102 1.00 0.00 N flip ATOM 0 H HIS A 33 188.968 4.878 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 33 190.120 4.013 -5.008 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.148 3.126 -2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.018 2.297 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.476 3.139 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.191 7.116 -5.218 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.713 5.282 -6.904 1.00 0.00 H new ATOM 557 N LEU A 34 188.575 2.268 -2.958 1.00 0.00 N ATOM 558 CA LEU A 34 187.740 1.088 -2.686 1.00 0.00 C ATOM 559 C LEU A 34 187.812 0.047 -3.805 1.00 0.00 C ATOM 560 O LEU A 34 187.392 0.297 -4.936 1.00 0.00 O ATOM 561 CB LEU A 34 186.277 1.490 -2.448 1.00 0.00 C ATOM 562 CG LEU A 34 185.764 2.709 -3.226 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.231 3.999 -2.576 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.194 2.655 -4.685 1.00 0.00 C ATOM 0 H LEU A 34 188.342 3.080 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 34 188.142 0.632 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 34 185.645 0.637 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.146 1.685 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 34 184.675 2.686 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.855 4.850 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.853 4.050 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.321 4.025 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.815 3.532 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.282 2.640 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 34 185.793 1.754 -5.149 1.00 0.00 H new ATOM 576 N ILE A 35 188.349 -1.122 -3.476 1.00 0.00 N ATOM 577 CA ILE A 35 188.480 -2.203 -4.448 1.00 0.00 C ATOM 578 C ILE A 35 187.277 -3.137 -4.387 1.00 0.00 C ATOM 579 O ILE A 35 186.576 -3.329 -5.380 1.00 0.00 O ATOM 580 CB ILE A 35 189.765 -3.034 -4.224 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.836 -2.217 -3.494 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.303 -3.539 -5.554 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.267 -0.973 -4.240 1.00 0.00 C ATOM 0 H ILE A 35 188.701 -1.346 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 35 188.536 -1.731 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 35 189.509 -3.888 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.455 -1.929 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.708 -2.848 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.208 -4.122 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.553 -4.166 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.535 -2.691 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.027 -0.447 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.679 -1.254 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.406 -0.320 -4.387 1.00 0.00 H new ATOM 595 N ASN A 36 187.047 -3.719 -3.214 1.00 0.00 N ATOM 596 CA ASN A 36 185.932 -4.637 -3.022 1.00 0.00 C ATOM 597 C ASN A 36 184.846 -4.011 -2.148 1.00 0.00 C ATOM 598 O ASN A 36 184.743 -4.314 -0.960 1.00 0.00 O ATOM 599 CB ASN A 36 186.426 -5.940 -2.390 1.00 0.00 C ATOM 600 CG ASN A 36 186.502 -7.075 -3.392 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.668 -7.181 -4.291 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.504 -7.932 -3.240 1.00 0.00 N ATOM 0 H ASN A 36 187.619 -3.570 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 36 185.500 -4.852 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.411 -5.778 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.758 -6.222 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.606 -8.717 -3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.173 -7.805 -2.480 1.00 0.00 H new ATOM 609 N PRO A 37 184.016 -3.127 -2.729 1.00 0.00 N ATOM 610 CA PRO A 37 182.933 -2.462 -1.999 1.00 0.00 C ATOM 611 C PRO A 37 181.765 -3.402 -1.719 1.00 0.00 C ATOM 612 O PRO A 37 180.930 -3.647 -2.591 1.00 0.00 O ATOM 613 CB PRO A 37 182.508 -1.346 -2.952 1.00 0.00 C ATOM 614 CG PRO A 37 182.819 -1.878 -4.306 1.00 0.00 C ATOM 615 CD PRO A 37 184.064 -2.709 -4.145 1.00 0.00 C ATOM 0 HA PRO A 37 183.252 -2.107 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.447 -1.118 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.054 -0.424 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.994 -2.479 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.979 -1.068 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.064 -3.567 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.963 -2.133 -4.364 1.00 0.00 H new ATOM 623 N HIS A 38 181.712 -3.927 -0.498 1.00 0.00 N ATOM 624 CA HIS A 38 180.646 -4.842 -0.108 1.00 0.00 C ATOM 625 C HIS A 38 179.432 -4.077 0.412 1.00 0.00 C ATOM 626 O HIS A 38 179.558 -3.192 1.256 1.00 0.00 O ATOM 627 CB HIS A 38 181.148 -5.820 0.959 1.00 0.00 C ATOM 628 CG HIS A 38 180.888 -7.256 0.621 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.690 -8.290 1.058 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.909 -7.830 -0.118 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.217 -9.435 0.602 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.136 -9.185 -0.114 1.00 0.00 N ATOM 0 H HIS A 38 182.393 -3.735 0.236 1.00 0.00 H new ATOM 0 HA HIS A 38 180.344 -5.405 -0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.219 -5.676 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.669 -5.586 1.910 1.00 0.00 H new ATOM 0 HD1 HIS A 38 182.519 -8.186 1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 38 179.100 -7.318 -0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.642 -10.411 0.784 1.00 0.00 H new ATOM 641 N ILE A 39 178.257 -4.426 -0.102 1.00 0.00 N ATOM 642 CA ILE A 39 177.021 -3.774 0.306 1.00 0.00 C ATOM 643 C ILE A 39 175.941 -4.805 0.634 1.00 0.00 C ATOM 644 O ILE A 39 175.345 -5.400 -0.264 1.00 0.00 O ATOM 645 CB ILE A 39 176.505 -2.816 -0.791 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.439 -1.611 -0.924 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.086 -2.353 -0.488 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.773 -1.941 -1.555 1.00 0.00 C ATOM 0 H ILE A 39 178.136 -5.158 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 39 177.242 -3.194 1.202 1.00 0.00 H new ATOM 0 HB ILE A 39 176.491 -3.358 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.945 -0.844 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.610 -1.185 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.747 -1.680 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.424 -3.217 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.070 -1.830 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.380 -1.038 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 39 179.289 -2.685 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.613 -2.339 -2.557 1.00 0.00 H new ATOM 660 N ILE A 40 175.696 -5.005 1.923 1.00 0.00 N ATOM 661 CA ILE A 40 174.689 -5.957 2.372 1.00 0.00 C ATOM 662 C ILE A 40 173.518 -5.239 3.038 1.00 0.00 C ATOM 663 O ILE A 40 173.534 -4.989 4.244 1.00 0.00 O ATOM 664 CB ILE A 40 175.293 -6.985 3.354 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.443 -7.744 2.686 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.225 -7.958 3.843 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.705 -6.922 2.532 1.00 0.00 C ATOM 0 H ILE A 40 176.182 -4.519 2.677 1.00 0.00 H new ATOM 0 HA ILE A 40 174.325 -6.486 1.491 1.00 0.00 H new ATOM 0 HB ILE A 40 175.684 -6.447 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.669 -8.634 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.119 -8.085 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.673 -8.673 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.436 -7.406 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.802 -8.492 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.476 -7.525 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.496 -6.045 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 40 178.054 -6.603 3.514 1.00 0.00 H new ATOM 679 N LEU A 41 172.505 -4.906 2.242 1.00 0.00 N ATOM 680 CA LEU A 41 171.324 -4.214 2.745 1.00 0.00 C ATOM 681 C LEU A 41 170.116 -5.149 2.746 1.00 0.00 C ATOM 682 O LEU A 41 169.582 -5.489 1.692 1.00 0.00 O ATOM 683 CB LEU A 41 171.049 -2.967 1.892 1.00 0.00 C ATOM 684 CG LEU A 41 169.577 -2.569 1.744 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.427 -1.056 1.775 1.00 0.00 C ATOM 686 CD2 LEU A 41 169.000 -3.139 0.455 1.00 0.00 C ATOM 0 H LEU A 41 172.480 -5.106 1.242 1.00 0.00 H new ATOM 0 HA LEU A 41 171.507 -3.900 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.591 -2.127 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 41 171.462 -3.133 0.897 1.00 0.00 H new ATOM 0 HG LEU A 41 169.020 -2.985 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.375 -0.792 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.803 -0.672 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.996 -0.617 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.954 -2.847 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.560 -2.752 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 41 169.073 -4.226 0.473 1.00 0.00 H new ATOM 698 N SER A 42 169.698 -5.571 3.932 1.00 0.00 N ATOM 699 CA SER A 42 168.566 -6.478 4.055 1.00 0.00 C ATOM 700 C SER A 42 167.388 -5.806 4.749 1.00 0.00 C ATOM 701 O SER A 42 167.541 -4.773 5.401 1.00 0.00 O ATOM 702 CB SER A 42 168.983 -7.724 4.835 1.00 0.00 C ATOM 703 OG SER A 42 170.251 -8.191 4.404 1.00 0.00 O ATOM 0 H SER A 42 170.124 -5.301 4.819 1.00 0.00 H new ATOM 0 HA SER A 42 168.250 -6.761 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.018 -7.496 5.900 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.238 -8.508 4.701 1.00 0.00 H new ATOM 0 HG SER A 42 170.710 -8.628 5.151 1.00 0.00 H new ATOM 709 N LYS A 43 166.214 -6.410 4.611 1.00 0.00 N ATOM 710 CA LYS A 43 165.006 -5.886 5.230 1.00 0.00 C ATOM 711 C LYS A 43 164.693 -6.653 6.511 1.00 0.00 C ATOM 712 O LYS A 43 164.336 -7.829 6.469 1.00 0.00 O ATOM 713 CB LYS A 43 163.828 -5.976 4.254 1.00 0.00 C ATOM 714 CG LYS A 43 162.476 -5.676 4.889 1.00 0.00 C ATOM 715 CD LYS A 43 161.550 -6.884 4.841 1.00 0.00 C ATOM 716 CE LYS A 43 161.382 -7.401 3.421 1.00 0.00 C ATOM 717 NZ LYS A 43 159.969 -7.771 3.127 1.00 0.00 N ATOM 0 H LYS A 43 166.074 -7.266 4.074 1.00 0.00 H new ATOM 0 HA LYS A 43 165.169 -4.838 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 43 163.995 -5.279 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.802 -6.977 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.621 -5.369 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.009 -4.839 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.951 -7.677 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 43 160.576 -6.614 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.712 -6.638 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 43 162.023 -8.270 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.897 -8.119 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 159.662 -8.517 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.360 -6.936 3.243 1.00 0.00 H new ATOM 731 N GLU A 44 164.835 -5.980 7.647 1.00 0.00 N ATOM 732 CA GLU A 44 164.575 -6.603 8.938 1.00 0.00 C ATOM 733 C GLU A 44 163.320 -6.022 9.588 1.00 0.00 C ATOM 734 O GLU A 44 163.099 -4.811 9.551 1.00 0.00 O ATOM 735 CB GLU A 44 165.778 -6.418 9.866 1.00 0.00 C ATOM 736 CG GLU A 44 166.532 -7.708 10.154 1.00 0.00 C ATOM 737 CD GLU A 44 166.940 -8.442 8.892 1.00 0.00 C ATOM 738 OE1 GLU A 44 166.998 -7.800 7.822 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.202 -9.661 8.973 1.00 0.00 O ATOM 0 H GLU A 44 165.128 -5.005 7.700 1.00 0.00 H new ATOM 0 HA GLU A 44 164.411 -7.668 8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.464 -5.699 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.436 -5.989 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.422 -7.480 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 44 165.907 -8.361 10.763 1.00 0.00 H new ATOM 746 N PRO A 45 162.479 -6.883 10.191 1.00 0.00 N ATOM 747 CA PRO A 45 161.242 -6.479 10.853 1.00 0.00 C ATOM 748 C PRO A 45 161.347 -5.131 11.557 1.00 0.00 C ATOM 749 O PRO A 45 160.541 -4.229 11.325 1.00 0.00 O ATOM 750 CB PRO A 45 161.016 -7.583 11.894 1.00 0.00 C ATOM 751 CG PRO A 45 161.943 -8.710 11.542 1.00 0.00 C ATOM 752 CD PRO A 45 162.664 -8.335 10.273 1.00 0.00 C ATOM 0 HA PRO A 45 160.434 -6.361 10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.221 -7.214 12.899 1.00 0.00 H new ATOM 0 HB3 PRO A 45 159.979 -7.918 11.883 1.00 0.00 H new ATOM 0 HG2 PRO A 45 162.655 -8.885 12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 45 161.384 -9.636 11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 45 163.720 -8.603 10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 45 162.242 -8.843 9.406 1.00 0.00 H new ATOM 760 N GLN A 46 162.328 -5.014 12.443 1.00 0.00 N ATOM 761 CA GLN A 46 162.523 -3.793 13.213 1.00 0.00 C ATOM 762 C GLN A 46 163.534 -2.853 12.558 1.00 0.00 C ATOM 763 O GLN A 46 164.369 -2.259 13.241 1.00 0.00 O ATOM 764 CB GLN A 46 162.974 -4.149 14.628 1.00 0.00 C ATOM 765 CG GLN A 46 162.417 -3.224 15.698 1.00 0.00 C ATOM 766 CD GLN A 46 160.903 -3.153 15.678 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.317 -2.073 15.769 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.259 -4.309 15.560 1.00 0.00 N ATOM 0 H GLN A 46 163.002 -5.752 12.646 1.00 0.00 H new ATOM 0 HA GLN A 46 161.570 -3.265 13.249 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.670 -5.172 14.850 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.063 -4.124 14.670 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.748 -3.568 16.678 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.826 -2.223 15.556 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.784 -5.180 15.487 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.239 -4.325 15.542 1.00 0.00 H new ATOM 777 N GLY A 47 163.442 -2.695 11.240 1.00 0.00 N ATOM 778 CA GLY A 47 164.347 -1.795 10.542 1.00 0.00 C ATOM 779 C GLY A 47 165.221 -2.479 9.507 1.00 0.00 C ATOM 780 O GLY A 47 165.354 -3.703 9.494 1.00 0.00 O ATOM 0 H GLY A 47 162.763 -3.170 10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.762 -1.017 10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.987 -1.300 11.273 1.00 0.00 H new ATOM 784 N PHE A 48 165.825 -1.665 8.641 1.00 0.00 N ATOM 785 CA PHE A 48 166.707 -2.165 7.591 1.00 0.00 C ATOM 786 C PHE A 48 168.098 -2.432 8.149 1.00 0.00 C ATOM 787 O PHE A 48 168.585 -1.692 9.007 1.00 0.00 O ATOM 788 CB PHE A 48 166.810 -1.145 6.448 1.00 0.00 C ATOM 789 CG PHE A 48 165.798 -1.315 5.342 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.895 -2.369 5.339 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.757 -0.405 4.296 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.974 -2.510 4.318 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.838 -0.540 3.273 1.00 0.00 C ATOM 794 CZ PHE A 48 163.947 -1.593 3.283 1.00 0.00 C ATOM 0 H PHE A 48 165.717 -0.651 8.648 1.00 0.00 H new ATOM 0 HA PHE A 48 166.286 -3.095 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.704 -0.144 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.809 -1.206 6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.912 -3.088 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 48 166.453 0.421 4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.277 -3.335 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.817 0.178 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.229 -1.701 2.483 1.00 0.00 H new ATOM 804 N VAL A 49 168.738 -3.484 7.651 1.00 0.00 N ATOM 805 CA VAL A 49 170.079 -3.843 8.093 1.00 0.00 C ATOM 806 C VAL A 49 171.097 -3.585 6.989 1.00 0.00 C ATOM 807 O VAL A 49 171.424 -4.480 6.210 1.00 0.00 O ATOM 808 CB VAL A 49 170.157 -5.322 8.515 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.494 -5.616 9.177 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.005 -5.675 9.442 1.00 0.00 C ATOM 0 H VAL A 49 168.349 -4.103 6.940 1.00 0.00 H new ATOM 0 HA VAL A 49 170.310 -3.219 8.956 1.00 0.00 H new ATOM 0 HB VAL A 49 170.075 -5.941 7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.532 -6.665 9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.301 -5.405 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.608 -4.989 10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.077 -6.724 9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.051 -5.050 10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.059 -5.504 8.928 1.00 0.00 H new ATOM 820 N ALA A 50 171.594 -2.354 6.928 1.00 0.00 N ATOM 821 CA ALA A 50 172.575 -1.977 5.917 1.00 0.00 C ATOM 822 C ALA A 50 173.996 -2.191 6.422 1.00 0.00 C ATOM 823 O ALA A 50 174.534 -1.365 7.158 1.00 0.00 O ATOM 824 CB ALA A 50 172.373 -0.529 5.497 1.00 0.00 C ATOM 0 H ALA A 50 171.334 -1.602 7.566 1.00 0.00 H new ATOM 0 HA ALA A 50 172.427 -2.619 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.113 -0.263 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.372 -0.406 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.489 0.121 6.364 1.00 0.00 H new ATOM 830 N ASP A 51 174.599 -3.303 6.019 1.00 0.00 N ATOM 831 CA ASP A 51 175.961 -3.627 6.427 1.00 0.00 C ATOM 832 C ASP A 51 176.922 -3.483 5.254 1.00 0.00 C ATOM 833 O ASP A 51 177.189 -4.446 4.537 1.00 0.00 O ATOM 834 CB ASP A 51 176.026 -5.050 6.983 1.00 0.00 C ATOM 835 CG ASP A 51 174.912 -5.341 7.971 1.00 0.00 C ATOM 836 OD1 ASP A 51 174.729 -4.541 8.912 1.00 0.00 O ATOM 837 OD2 ASP A 51 174.221 -6.368 7.801 1.00 0.00 O ATOM 0 H ASP A 51 174.166 -3.997 5.409 1.00 0.00 H new ATOM 0 HA ASP A 51 176.258 -2.928 7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.971 -5.761 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.989 -5.202 7.471 1.00 0.00 H new ATOM 842 N ALA A 52 177.438 -2.274 5.061 1.00 0.00 N ATOM 843 CA ALA A 52 178.365 -2.007 3.969 1.00 0.00 C ATOM 844 C ALA A 52 179.814 -2.165 4.420 1.00 0.00 C ATOM 845 O ALA A 52 180.208 -1.662 5.473 1.00 0.00 O ATOM 846 CB ALA A 52 178.137 -0.609 3.413 1.00 0.00 C ATOM 0 H ALA A 52 177.230 -1.465 5.646 1.00 0.00 H new ATOM 0 HA ALA A 52 178.176 -2.738 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.836 -0.423 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.116 -0.528 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.295 0.127 4.202 1.00 0.00 H new ATOM 852 N THR A 53 180.601 -2.866 3.614 1.00 0.00 N ATOM 853 CA THR A 53 182.008 -3.091 3.920 1.00 0.00 C ATOM 854 C THR A 53 182.870 -2.844 2.687 1.00 0.00 C ATOM 855 O THR A 53 182.961 -3.696 1.802 1.00 0.00 O ATOM 856 CB THR A 53 182.222 -4.519 4.434 1.00 0.00 C ATOM 857 OG1 THR A 53 180.983 -5.133 4.741 1.00 0.00 O ATOM 858 CG2 THR A 53 183.085 -4.586 5.674 1.00 0.00 C ATOM 0 H THR A 53 180.288 -3.290 2.741 1.00 0.00 H new ATOM 0 HA THR A 53 182.305 -2.389 4.699 1.00 0.00 H new ATOM 0 HB THR A 53 182.733 -5.042 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.141 -6.044 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.196 -5.625 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.067 -4.165 5.457 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.615 -4.016 6.476 1.00 0.00 H new ATOM 866 N ILE A 54 183.496 -1.673 2.628 1.00 0.00 N ATOM 867 CA ILE A 54 184.345 -1.319 1.494 1.00 0.00 C ATOM 868 C ILE A 54 185.816 -1.542 1.823 1.00 0.00 C ATOM 869 O ILE A 54 186.301 -1.110 2.868 1.00 0.00 O ATOM 870 CB ILE A 54 184.139 0.148 1.049 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.846 0.727 1.640 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.114 0.232 -0.469 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.464 2.075 1.064 1.00 0.00 C ATOM 0 H ILE A 54 183.432 -0.955 3.349 1.00 0.00 H new ATOM 0 HA ILE A 54 184.052 -1.972 0.672 1.00 0.00 H new ATOM 0 HB ILE A 54 184.973 0.741 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.031 0.024 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.961 0.822 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 54 183.969 1.268 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.059 -0.135 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.296 -0.377 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.541 2.421 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.260 2.793 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.316 1.982 -0.012 1.00 0.00 H new ATOM 885 N ASN A 55 186.519 -2.225 0.928 1.00 0.00 N ATOM 886 CA ASN A 55 187.935 -2.514 1.123 1.00 0.00 C ATOM 887 C ASN A 55 188.817 -1.441 0.491 1.00 0.00 C ATOM 888 O ASN A 55 189.039 -1.439 -0.719 1.00 0.00 O ATOM 889 CB ASN A 55 188.279 -3.884 0.537 1.00 0.00 C ATOM 890 CG ASN A 55 189.671 -4.344 0.922 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.669 -3.841 0.406 1.00 0.00 O ATOM 892 ND2 ASN A 55 189.744 -5.308 1.833 1.00 0.00 N ATOM 0 H ASN A 55 186.131 -2.590 0.058 1.00 0.00 H new ATOM 0 HA ASN A 55 188.129 -2.520 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.549 -4.617 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.201 -3.842 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.654 -5.660 2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 55 188.890 -5.696 2.234 1.00 0.00 H new ATOM 899 N THR A 56 189.322 -0.536 1.323 1.00 0.00 N ATOM 900 CA THR A 56 190.188 0.542 0.854 1.00 0.00 C ATOM 901 C THR A 56 191.654 0.130 0.957 1.00 0.00 C ATOM 902 O THR A 56 191.999 -0.757 1.735 1.00 0.00 O ATOM 903 CB THR A 56 189.944 1.812 1.672 1.00 0.00 C ATOM 904 OG1 THR A 56 190.603 1.735 2.925 1.00 0.00 O ATOM 905 CG2 THR A 56 188.478 2.078 1.941 1.00 0.00 C ATOM 0 H THR A 56 189.146 -0.527 2.328 1.00 0.00 H new ATOM 0 HA THR A 56 189.953 0.744 -0.191 1.00 0.00 H new ATOM 0 HB THR A 56 190.340 2.627 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.437 2.556 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.375 2.993 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.949 2.191 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.053 1.243 2.497 1.00 0.00 H new ATOM 913 N PRO A 57 192.544 0.764 0.173 1.00 0.00 N ATOM 914 CA PRO A 57 193.976 0.444 0.194 1.00 0.00 C ATOM 915 C PRO A 57 194.581 0.564 1.590 1.00 0.00 C ATOM 916 O PRO A 57 195.627 -0.021 1.873 1.00 0.00 O ATOM 917 CB PRO A 57 194.601 1.479 -0.751 1.00 0.00 C ATOM 918 CG PRO A 57 193.564 2.540 -0.906 1.00 0.00 C ATOM 919 CD PRO A 57 192.244 1.836 -0.794 1.00 0.00 C ATOM 0 HA PRO A 57 194.159 -0.587 -0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.523 1.886 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.855 1.032 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.667 3.304 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.659 3.043 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.458 2.500 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.912 1.438 -1.753 1.00 0.00 H new ATOM 927 N ASN A 58 193.928 1.333 2.456 1.00 0.00 N ATOM 928 CA ASN A 58 194.416 1.531 3.817 1.00 0.00 C ATOM 929 C ASN A 58 193.490 0.877 4.840 1.00 0.00 C ATOM 930 O ASN A 58 193.328 1.380 5.952 1.00 0.00 O ATOM 931 CB ASN A 58 194.553 3.027 4.115 1.00 0.00 C ATOM 932 CG ASN A 58 195.995 3.494 4.058 1.00 0.00 C ATOM 933 OD1 ASN A 58 196.617 3.497 2.997 1.00 0.00 O ATOM 934 ND2 ASN A 58 196.533 3.892 5.205 1.00 0.00 N ATOM 0 H ASN A 58 193.062 1.828 2.241 1.00 0.00 H new ATOM 0 HA ASN A 58 195.394 1.057 3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.961 3.594 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.144 3.238 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 197.500 4.217 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 58 195.980 3.873 6.062 1.00 0.00 H new ATOM 941 N GLY A 59 192.890 -0.249 4.466 1.00 0.00 N ATOM 942 CA GLY A 59 191.996 -0.944 5.374 1.00 0.00 C ATOM 943 C GLY A 59 190.652 -1.261 4.751 1.00 0.00 C ATOM 944 O GLY A 59 190.577 -1.631 3.580 1.00 0.00 O ATOM 0 H GLY A 59 193.006 -0.691 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.467 -1.871 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.843 -0.333 6.264 1.00 0.00 H new ATOM 948 N VAL A 60 189.590 -1.122 5.540 1.00 0.00 N ATOM 949 CA VAL A 60 188.241 -1.402 5.062 1.00 0.00 C ATOM 950 C VAL A 60 187.209 -0.533 5.776 1.00 0.00 C ATOM 951 O VAL A 60 187.043 -0.622 6.993 1.00 0.00 O ATOM 952 CB VAL A 60 187.877 -2.885 5.267 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.546 -3.210 4.606 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.978 -3.783 4.731 1.00 0.00 C ATOM 0 H VAL A 60 189.638 -0.817 6.512 1.00 0.00 H new ATOM 0 HA VAL A 60 188.226 -1.171 3.997 1.00 0.00 H new ATOM 0 HB VAL A 60 187.777 -3.068 6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.309 -4.262 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.762 -2.592 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.612 -3.009 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.703 -4.827 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.113 -3.596 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.909 -3.572 5.258 1.00 0.00 H new ATOM 964 N LEU A 61 186.517 0.305 5.010 1.00 0.00 N ATOM 965 CA LEU A 61 185.500 1.188 5.568 1.00 0.00 C ATOM 966 C LEU A 61 184.182 0.442 5.751 1.00 0.00 C ATOM 967 O LEU A 61 183.434 0.235 4.794 1.00 0.00 O ATOM 968 CB LEU A 61 185.296 2.400 4.656 1.00 0.00 C ATOM 969 CG LEU A 61 186.533 3.280 4.466 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.349 4.210 3.275 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.817 4.077 5.731 1.00 0.00 C ATOM 0 H LEU A 61 186.642 0.391 4.001 1.00 0.00 H new ATOM 0 HA LEU A 61 185.841 1.532 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 61 184.964 2.049 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.492 3.012 5.064 1.00 0.00 H new ATOM 0 HG LEU A 61 187.389 2.635 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.239 4.828 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.194 3.619 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.483 4.850 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.700 4.698 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.962 4.712 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 61 186.993 3.392 6.561 1.00 0.00 H new ATOM 983 N VAL A 62 183.906 0.030 6.985 1.00 0.00 N ATOM 984 CA VAL A 62 182.685 -0.707 7.291 1.00 0.00 C ATOM 985 C VAL A 62 181.566 0.226 7.750 1.00 0.00 C ATOM 986 O VAL A 62 181.559 0.692 8.889 1.00 0.00 O ATOM 987 CB VAL A 62 182.932 -1.775 8.378 1.00 0.00 C ATOM 988 CG1 VAL A 62 183.405 -1.131 9.675 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.678 -2.604 8.611 1.00 0.00 C ATOM 0 H VAL A 62 184.512 0.194 7.789 1.00 0.00 H new ATOM 0 HA VAL A 62 182.378 -1.199 6.368 1.00 0.00 H new ATOM 0 HB VAL A 62 183.720 -2.441 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 62 183.572 -1.904 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 62 184.335 -0.592 9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 62 182.646 -0.435 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.873 -3.351 9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.866 -1.953 8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 62 181.395 -3.103 7.684 1.00 0.00 H new ATOM 999 N ALA A 63 180.616 0.490 6.856 1.00 0.00 N ATOM 1000 CA ALA A 63 179.489 1.359 7.175 1.00 0.00 C ATOM 1001 C ALA A 63 178.303 0.546 7.685 1.00 0.00 C ATOM 1002 O ALA A 63 177.547 -0.027 6.899 1.00 0.00 O ATOM 1003 CB ALA A 63 179.088 2.172 5.953 1.00 0.00 C ATOM 0 H ALA A 63 180.605 0.115 5.907 1.00 0.00 H new ATOM 0 HA ALA A 63 179.797 2.043 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.246 2.816 6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.930 2.785 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.801 1.498 5.146 1.00 0.00 H new ATOM 1009 N SER A 64 178.148 0.497 9.003 1.00 0.00 N ATOM 1010 CA SER A 64 177.056 -0.251 9.616 1.00 0.00 C ATOM 1011 C SER A 64 175.947 0.685 10.089 1.00 0.00 C ATOM 1012 O SER A 64 176.140 1.477 11.011 1.00 0.00 O ATOM 1013 CB SER A 64 177.579 -1.080 10.793 1.00 0.00 C ATOM 1014 OG SER A 64 178.979 -1.271 10.701 1.00 0.00 O ATOM 0 H SER A 64 178.764 0.966 9.667 1.00 0.00 H new ATOM 0 HA SER A 64 176.640 -0.920 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 64 177.338 -0.578 11.730 1.00 0.00 H new ATOM 0 HB3 SER A 64 177.077 -2.048 10.811 1.00 0.00 H new ATOM 0 HG SER A 64 179.288 -1.802 11.465 1.00 0.00 H new ATOM 1020 N GLY A 65 174.784 0.586 9.451 1.00 0.00 N ATOM 1021 CA GLY A 65 173.662 1.427 9.819 1.00 0.00 C ATOM 1022 C GLY A 65 172.331 0.711 9.687 1.00 0.00 C ATOM 1023 O GLY A 65 172.139 -0.094 8.775 1.00 0.00 O ATOM 0 H GLY A 65 174.600 -0.063 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.788 1.766 10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.657 2.316 9.189 1.00 0.00 H new ATOM 1027 N LYS A 66 171.413 1.005 10.601 1.00 0.00 N ATOM 1028 CA LYS A 66 170.092 0.385 10.587 1.00 0.00 C ATOM 1029 C LYS A 66 169.002 1.432 10.787 1.00 0.00 C ATOM 1030 O LYS A 66 169.205 2.425 11.484 1.00 0.00 O ATOM 1031 CB LYS A 66 169.996 -0.685 11.678 1.00 0.00 C ATOM 1032 CG LYS A 66 170.718 -0.313 12.964 1.00 0.00 C ATOM 1033 CD LYS A 66 172.156 -0.807 12.956 1.00 0.00 C ATOM 1034 CE LYS A 66 172.976 -0.157 14.061 1.00 0.00 C ATOM 1035 NZ LYS A 66 173.175 1.301 13.826 1.00 0.00 N ATOM 0 H LYS A 66 171.559 1.669 11.361 1.00 0.00 H new ATOM 0 HA LYS A 66 169.947 -0.085 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 66 168.945 -0.870 11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.410 -1.619 11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 66 170.704 0.770 13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.190 -0.740 13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 66 172.170 -1.890 13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.611 -0.591 11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.476 -0.305 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 66 173.946 -0.649 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 174.156 1.559 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 172.984 1.521 12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 172.524 1.842 14.430 1.00 0.00 H new ATOM 1049 N HIS A 67 167.845 1.206 10.172 1.00 0.00 N ATOM 1050 CA HIS A 67 166.727 2.140 10.289 1.00 0.00 C ATOM 1051 C HIS A 67 165.504 1.641 9.524 1.00 0.00 C ATOM 1052 O HIS A 67 165.630 0.938 8.521 1.00 0.00 O ATOM 1053 CB HIS A 67 167.134 3.526 9.778 1.00 0.00 C ATOM 1054 CG HIS A 67 166.718 4.640 10.686 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.460 5.036 11.781 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.626 5.441 10.665 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.842 6.029 12.393 1.00 0.00 C ATOM 1058 NE2 HIS A 67 165.728 6.295 11.736 1.00 0.00 N ATOM 0 H HIS A 67 167.656 0.390 9.590 1.00 0.00 H new ATOM 0 HA HIS A 67 166.462 2.211 11.344 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.216 3.555 9.652 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.694 3.686 8.794 1.00 0.00 H new ATOM 0 HD1 HIS A 67 168.347 4.625 12.072 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.825 5.413 9.941 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.189 6.538 13.280 1.00 0.00 H new ATOM 1067 N GLU A 68 164.321 2.012 10.008 1.00 0.00 N ATOM 1068 CA GLU A 68 163.070 1.606 9.375 1.00 0.00 C ATOM 1069 C GLU A 68 162.959 2.173 7.965 1.00 0.00 C ATOM 1070 O GLU A 68 162.539 1.480 7.039 1.00 0.00 O ATOM 1071 CB GLU A 68 161.875 2.063 10.215 1.00 0.00 C ATOM 1072 CG GLU A 68 160.627 1.219 10.012 1.00 0.00 C ATOM 1073 CD GLU A 68 159.777 1.703 8.854 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.126 1.398 7.693 1.00 0.00 O ATOM 1075 OE2 GLU A 68 158.761 2.384 9.106 1.00 0.00 O ATOM 0 H GLU A 68 164.203 2.594 10.837 1.00 0.00 H new ATOM 0 HA GLU A 68 163.066 0.518 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.152 2.038 11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.645 3.100 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 68 160.918 0.183 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.032 1.232 10.925 1.00 0.00 H new ATOM 1082 N ASP A 69 163.338 3.435 7.810 1.00 0.00 N ATOM 1083 CA ASP A 69 163.277 4.091 6.509 1.00 0.00 C ATOM 1084 C ASP A 69 164.442 3.656 5.626 1.00 0.00 C ATOM 1085 O ASP A 69 165.558 3.455 6.106 1.00 0.00 O ATOM 1086 CB ASP A 69 163.281 5.610 6.677 1.00 0.00 C ATOM 1087 CG ASP A 69 162.075 6.264 6.031 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.489 5.651 5.114 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.715 7.386 6.444 1.00 0.00 O ATOM 0 H ASP A 69 163.690 4.023 8.565 1.00 0.00 H new ATOM 0 HA ASP A 69 162.348 3.793 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.299 5.856 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.191 6.019 6.239 1.00 0.00 H new ATOM 1094 N MET A 70 164.169 3.509 4.334 1.00 0.00 N ATOM 1095 CA MET A 70 165.189 3.091 3.379 1.00 0.00 C ATOM 1096 C MET A 70 166.264 4.162 3.217 1.00 0.00 C ATOM 1097 O MET A 70 167.427 3.948 3.563 1.00 0.00 O ATOM 1098 CB MET A 70 164.546 2.792 2.020 1.00 0.00 C ATOM 1099 CG MET A 70 165.534 2.316 0.969 1.00 0.00 C ATOM 1100 SD MET A 70 165.201 3.001 -0.668 1.00 0.00 S ATOM 1101 CE MET A 70 163.495 2.511 -0.913 1.00 0.00 C ATOM 0 H MET A 70 163.250 3.673 3.924 1.00 0.00 H new ATOM 0 HA MET A 70 165.661 2.187 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 70 163.775 2.033 2.152 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.049 3.692 1.657 1.00 0.00 H new ATOM 0 HG2 MET A 70 166.543 2.592 1.275 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.504 1.228 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.979 3.270 -1.501 1.00 0.00 H new ATOM 0 HE2 MET A 70 163.462 1.558 -1.442 1.00 0.00 H new ATOM 0 HE3 MET A 70 163.004 2.406 0.055 1.00 0.00 H new ATOM 1111 N TYR A 71 165.866 5.311 2.686 1.00 0.00 N ATOM 1112 CA TYR A 71 166.793 6.415 2.465 1.00 0.00 C ATOM 1113 C TYR A 71 167.412 6.899 3.770 1.00 0.00 C ATOM 1114 O TYR A 71 168.613 7.161 3.831 1.00 0.00 O ATOM 1115 CB TYR A 71 166.086 7.568 1.749 1.00 0.00 C ATOM 1116 CG TYR A 71 165.990 7.397 0.243 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.500 6.267 -0.394 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.391 8.375 -0.541 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.414 6.123 -1.764 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.303 8.234 -1.913 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.816 7.108 -2.519 1.00 0.00 C ATOM 1122 OH TYR A 71 165.732 6.969 -3.884 1.00 0.00 O ATOM 0 H TYR A 71 164.906 5.503 2.400 1.00 0.00 H new ATOM 0 HA TYR A 71 167.601 6.048 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.081 7.673 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.616 8.496 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.970 5.492 0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.988 9.260 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.814 5.241 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.834 9.004 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 71 165.281 7.751 -4.265 1.00 0.00 H new ATOM 1132 N THR A 72 166.601 7.009 4.817 1.00 0.00 N ATOM 1133 CA THR A 72 167.104 7.453 6.112 1.00 0.00 C ATOM 1134 C THR A 72 168.227 6.538 6.584 1.00 0.00 C ATOM 1135 O THR A 72 169.205 6.993 7.177 1.00 0.00 O ATOM 1136 CB THR A 72 165.983 7.476 7.148 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.813 8.068 6.613 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.346 8.235 8.406 1.00 0.00 C ATOM 0 H THR A 72 165.603 6.799 4.796 1.00 0.00 H new ATOM 0 HA THR A 72 167.493 8.465 5.998 1.00 0.00 H new ATOM 0 HB THR A 72 165.812 6.431 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.107 8.071 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.506 8.212 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.215 7.771 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.579 9.269 8.152 1.00 0.00 H new ATOM 1146 N ALA A 73 168.082 5.247 6.301 1.00 0.00 N ATOM 1147 CA ALA A 73 169.090 4.268 6.679 1.00 0.00 C ATOM 1148 C ALA A 73 170.413 4.585 5.995 1.00 0.00 C ATOM 1149 O ALA A 73 171.380 4.983 6.646 1.00 0.00 O ATOM 1150 CB ALA A 73 168.628 2.863 6.320 1.00 0.00 C ATOM 0 H ALA A 73 167.276 4.857 5.812 1.00 0.00 H new ATOM 0 HA ALA A 73 169.236 4.316 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.394 2.143 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.701 2.639 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.458 2.799 5.245 1.00 0.00 H new ATOM 1156 N ILE A 74 170.445 4.417 4.673 1.00 0.00 N ATOM 1157 CA ILE A 74 171.654 4.698 3.893 1.00 0.00 C ATOM 1158 C ILE A 74 172.269 6.022 4.325 1.00 0.00 C ATOM 1159 O ILE A 74 173.477 6.114 4.542 1.00 0.00 O ATOM 1160 CB ILE A 74 171.400 4.752 2.357 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.909 4.611 2.011 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.217 3.682 1.646 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.417 3.177 1.959 1.00 0.00 C ATOM 0 H ILE A 74 169.653 4.089 4.120 1.00 0.00 H new ATOM 0 HA ILE A 74 172.333 3.869 4.091 1.00 0.00 H new ATOM 0 HB ILE A 74 171.720 5.734 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.323 5.158 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.725 5.082 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.028 3.733 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.277 3.848 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.931 2.698 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.356 3.165 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.975 2.628 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.566 2.706 2.931 1.00 0.00 H new ATOM 1175 N ASN A 75 171.426 7.040 4.460 1.00 0.00 N ATOM 1176 CA ASN A 75 171.882 8.359 4.878 1.00 0.00 C ATOM 1177 C ASN A 75 172.638 8.266 6.199 1.00 0.00 C ATOM 1178 O ASN A 75 173.692 8.878 6.370 1.00 0.00 O ATOM 1179 CB ASN A 75 170.691 9.312 5.024 1.00 0.00 C ATOM 1180 CG ASN A 75 170.421 10.103 3.758 1.00 0.00 C ATOM 1181 OD1 ASN A 75 171.023 11.151 3.527 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.511 9.603 2.931 1.00 0.00 N ATOM 0 H ASN A 75 170.423 6.976 4.286 1.00 0.00 H new ATOM 0 HA ASN A 75 172.555 8.749 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.802 8.739 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.881 10.002 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.287 10.091 2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.036 8.731 3.163 1.00 0.00 H new ATOM 1189 N GLU A 76 172.095 7.489 7.130 1.00 0.00 N ATOM 1190 CA GLU A 76 172.726 7.316 8.431 1.00 0.00 C ATOM 1191 C GLU A 76 174.069 6.604 8.297 1.00 0.00 C ATOM 1192 O GLU A 76 175.104 7.118 8.731 1.00 0.00 O ATOM 1193 CB GLU A 76 171.805 6.530 9.369 1.00 0.00 C ATOM 1194 CG GLU A 76 170.901 7.415 10.211 1.00 0.00 C ATOM 1195 CD GLU A 76 170.222 6.658 11.335 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.182 5.412 11.273 1.00 0.00 O ATOM 1197 OE2 GLU A 76 169.731 7.313 12.279 1.00 0.00 O ATOM 0 H GLU A 76 171.224 6.972 7.008 1.00 0.00 H new ATOM 0 HA GLU A 76 172.903 8.305 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.189 5.853 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.413 5.912 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 76 171.488 8.231 10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.142 7.865 9.571 1.00 0.00 H new ATOM 1204 N LEU A 77 174.049 5.417 7.698 1.00 0.00 N ATOM 1205 CA LEU A 77 175.271 4.637 7.517 1.00 0.00 C ATOM 1206 C LEU A 77 176.293 5.386 6.663 1.00 0.00 C ATOM 1207 O LEU A 77 177.483 5.074 6.702 1.00 0.00 O ATOM 1208 CB LEU A 77 174.982 3.258 6.903 1.00 0.00 C ATOM 1209 CG LEU A 77 173.687 3.134 6.095 1.00 0.00 C ATOM 1210 CD1 LEU A 77 173.892 2.215 4.901 1.00 0.00 C ATOM 1211 CD2 LEU A 77 172.560 2.613 6.977 1.00 0.00 C ATOM 0 H LEU A 77 173.206 4.975 7.331 1.00 0.00 H new ATOM 0 HA LEU A 77 175.694 4.486 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.817 2.990 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.955 2.524 7.708 1.00 0.00 H new ATOM 0 HG LEU A 77 173.412 4.123 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 77 172.962 2.138 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.673 2.622 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.188 1.226 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 77 171.646 2.530 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 77 172.829 1.632 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 172.397 3.303 7.805 1.00 0.00 H new ATOM 1223 N ILE A 78 175.837 6.376 5.897 1.00 0.00 N ATOM 1224 CA ILE A 78 176.741 7.148 5.050 1.00 0.00 C ATOM 1225 C ILE A 78 177.554 8.138 5.884 1.00 0.00 C ATOM 1226 O ILE A 78 178.757 8.291 5.679 1.00 0.00 O ATOM 1227 CB ILE A 78 175.985 7.894 3.919 1.00 0.00 C ATOM 1228 CG1 ILE A 78 176.722 7.715 2.590 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.815 9.377 4.231 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.157 8.197 2.626 1.00 0.00 C ATOM 0 H ILE A 78 174.858 6.659 5.846 1.00 0.00 H new ATOM 0 HA ILE A 78 177.422 6.438 4.580 1.00 0.00 H new ATOM 0 HB ILE A 78 174.989 7.459 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 78 176.708 6.660 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.185 8.255 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.281 9.862 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.247 9.492 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.795 9.839 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.618 8.040 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.178 9.259 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.709 7.640 3.383 1.00 0.00 H new ATOM 1242 N ASN A 79 176.890 8.805 6.825 1.00 0.00 N ATOM 1243 CA ASN A 79 177.565 9.773 7.682 1.00 0.00 C ATOM 1244 C ASN A 79 178.582 9.072 8.577 1.00 0.00 C ATOM 1245 O ASN A 79 179.626 9.635 8.908 1.00 0.00 O ATOM 1246 CB ASN A 79 176.553 10.548 8.530 1.00 0.00 C ATOM 1247 CG ASN A 79 175.885 9.692 9.589 1.00 0.00 C ATOM 1248 OD1 ASN A 79 176.551 9.049 10.399 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.557 9.685 9.591 1.00 0.00 N ATOM 0 H ASN A 79 175.893 8.694 7.012 1.00 0.00 H new ATOM 0 HA ASN A 79 178.091 10.484 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 79 177.058 11.385 9.013 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.789 10.970 7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 79 174.051 9.132 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.043 10.233 8.901 1.00 0.00 H new ATOM 1256 N LYS A 80 178.272 7.837 8.960 1.00 0.00 N ATOM 1257 CA LYS A 80 179.163 7.057 9.811 1.00 0.00 C ATOM 1258 C LYS A 80 180.397 6.610 9.032 1.00 0.00 C ATOM 1259 O LYS A 80 181.512 6.612 9.555 1.00 0.00 O ATOM 1260 CB LYS A 80 178.428 5.839 10.374 1.00 0.00 C ATOM 1261 CG LYS A 80 179.144 5.177 11.541 1.00 0.00 C ATOM 1262 CD LYS A 80 179.156 6.071 12.772 1.00 0.00 C ATOM 1263 CE LYS A 80 177.779 6.161 13.411 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.461 4.953 14.223 1.00 0.00 N ATOM 0 H LYS A 80 177.412 7.356 8.695 1.00 0.00 H new ATOM 0 HA LYS A 80 179.486 7.689 10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.432 6.144 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.295 5.106 9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.654 4.233 11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 80 180.168 4.940 11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.870 5.682 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.495 7.069 12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.730 7.047 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.025 6.284 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.514 5.055 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.482 4.110 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 178.165 4.850 14.982 1.00 0.00 H new ATOM 1278 N LEU A 81 180.186 6.231 7.774 1.00 0.00 N ATOM 1279 CA LEU A 81 181.275 5.787 6.913 1.00 0.00 C ATOM 1280 C LEU A 81 182.234 6.935 6.612 1.00 0.00 C ATOM 1281 O LEU A 81 183.444 6.811 6.793 1.00 0.00 O ATOM 1282 CB LEU A 81 180.715 5.221 5.606 1.00 0.00 C ATOM 1283 CG LEU A 81 181.635 4.242 4.873 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.993 3.775 3.575 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.987 4.885 4.601 1.00 0.00 C ATOM 0 H LEU A 81 179.268 6.223 7.329 1.00 0.00 H new ATOM 0 HA LEU A 81 181.826 5.006 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.773 4.717 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.487 6.051 4.937 1.00 0.00 H new ATOM 0 HG LEU A 81 181.790 3.371 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.662 3.080 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.049 3.276 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 81 180.807 4.635 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.629 4.175 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.850 5.773 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.452 5.168 5.545 1.00 0.00 H new ATOM 1297 N GLU A 82 181.681 8.052 6.144 1.00 0.00 N ATOM 1298 CA GLU A 82 182.482 9.226 5.811 1.00 0.00 C ATOM 1299 C GLU A 82 183.337 9.663 6.998 1.00 0.00 C ATOM 1300 O GLU A 82 184.514 9.989 6.839 1.00 0.00 O ATOM 1301 CB GLU A 82 181.576 10.375 5.362 1.00 0.00 C ATOM 1302 CG GLU A 82 182.322 11.666 5.069 1.00 0.00 C ATOM 1303 CD GLU A 82 181.792 12.839 5.871 1.00 0.00 C ATOM 1304 OE1 GLU A 82 181.299 12.614 6.996 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.873 13.983 5.374 1.00 0.00 O ATOM 0 H GLU A 82 180.680 8.168 5.987 1.00 0.00 H new ATOM 0 HA GLU A 82 183.150 8.958 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 82 181.033 10.069 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.833 10.564 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 82 183.380 11.528 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.245 11.893 4.006 1.00 0.00 H new ATOM 1312 N ARG A 83 182.742 9.666 8.188 1.00 0.00 N ATOM 1313 CA ARG A 83 183.455 10.062 9.399 1.00 0.00 C ATOM 1314 C ARG A 83 184.713 9.218 9.585 1.00 0.00 C ATOM 1315 O ARG A 83 185.831 9.735 9.547 1.00 0.00 O ATOM 1316 CB ARG A 83 182.543 9.929 10.620 1.00 0.00 C ATOM 1317 CG ARG A 83 181.982 11.255 11.109 1.00 0.00 C ATOM 1318 CD ARG A 83 183.085 12.192 11.572 1.00 0.00 C ATOM 1319 NE ARG A 83 183.264 13.319 10.660 1.00 0.00 N ATOM 1320 CZ ARG A 83 183.912 14.438 10.980 1.00 0.00 C ATOM 1321 NH1 ARG A 83 184.444 14.583 12.187 1.00 0.00 N ATOM 1322 NH2 ARG A 83 184.027 15.415 10.089 1.00 0.00 N ATOM 0 H ARG A 83 181.769 9.399 8.339 1.00 0.00 H new ATOM 0 HA ARG A 83 183.753 11.105 9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.716 9.263 10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 83 183.101 9.459 11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.414 11.728 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 83 181.287 11.076 11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.849 12.566 12.568 1.00 0.00 H new ATOM 0 HD3 ARG A 83 184.021 11.639 11.653 1.00 0.00 H new ATOM 0 HE ARG A 83 182.869 13.245 9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 83 184.358 13.835 12.875 1.00 0.00 H new ATOM 0 HH12 ARG A 83 184.939 15.442 12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.619 15.309 9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 83 184.523 16.272 10.333 1.00 0.00 H new ATOM 1336 N GLN A 84 184.527 7.915 9.777 1.00 0.00 N ATOM 1337 CA GLN A 84 185.650 7.003 9.957 1.00 0.00 C ATOM 1338 C GLN A 84 186.588 7.070 8.755 1.00 0.00 C ATOM 1339 O GLN A 84 187.797 6.878 8.882 1.00 0.00 O ATOM 1340 CB GLN A 84 185.151 5.569 10.152 1.00 0.00 C ATOM 1341 CG GLN A 84 186.259 4.575 10.458 1.00 0.00 C ATOM 1342 CD GLN A 84 185.942 3.179 9.964 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.606 3.066 8.685 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 185.996 2.211 10.725 1.00 0.00 N flip ATOM 0 H GLN A 84 183.611 7.469 9.812 1.00 0.00 H new ATOM 0 HA GLN A 84 186.198 7.307 10.849 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.425 5.553 10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.627 5.250 9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 84 187.186 4.917 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 84 186.429 4.546 11.534 1.00 0.00 H new ATOM 0 HE21 GLN A 84 186.259 2.344 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 84 185.778 1.277 10.378 1.00 0.00 H new ATOM 1353 N LEU A 85 186.015 7.353 7.590 1.00 0.00 N ATOM 1354 CA LEU A 85 186.785 7.458 6.356 1.00 0.00 C ATOM 1355 C LEU A 85 187.692 8.687 6.397 1.00 0.00 C ATOM 1356 O LEU A 85 188.846 8.636 5.970 1.00 0.00 O ATOM 1357 CB LEU A 85 185.824 7.517 5.156 1.00 0.00 C ATOM 1358 CG LEU A 85 186.296 8.335 3.947 1.00 0.00 C ATOM 1359 CD1 LEU A 85 187.390 7.598 3.189 1.00 0.00 C ATOM 1360 CD2 LEU A 85 185.121 8.639 3.028 1.00 0.00 C ATOM 0 H LEU A 85 185.015 7.515 7.475 1.00 0.00 H new ATOM 0 HA LEU A 85 187.422 6.580 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.628 6.497 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 85 184.874 7.929 5.498 1.00 0.00 H new ATOM 0 HG LEU A 85 186.711 9.276 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 85 187.709 8.197 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 85 188.239 7.428 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 85 187.007 6.640 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 85 185.468 9.220 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 85 184.682 7.705 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 85 184.370 9.210 3.574 1.00 0.00 H new ATOM 1372 N ASN A 86 187.160 9.790 6.914 1.00 0.00 N ATOM 1373 CA ASN A 86 187.916 11.033 7.015 1.00 0.00 C ATOM 1374 C ASN A 86 189.180 10.838 7.842 1.00 0.00 C ATOM 1375 O ASN A 86 190.272 11.227 7.429 1.00 0.00 O ATOM 1376 CB ASN A 86 187.054 12.130 7.640 1.00 0.00 C ATOM 1377 CG ASN A 86 186.075 12.728 6.651 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.446 13.090 5.535 1.00 0.00 O ATOM 1379 ND2 ASN A 86 184.816 12.838 7.059 1.00 0.00 N ATOM 0 H ASN A 86 186.206 9.848 7.270 1.00 0.00 H new ATOM 0 HA ASN A 86 188.204 11.333 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.505 11.719 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.699 12.917 8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.112 13.236 6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.553 12.524 7.993 1.00 0.00 H new ATOM 1386 N LYS A 87 189.026 10.234 9.016 1.00 0.00 N ATOM 1387 CA LYS A 87 190.157 9.991 9.900 1.00 0.00 C ATOM 1388 C LYS A 87 191.195 9.104 9.214 1.00 0.00 C ATOM 1389 O LYS A 87 192.385 9.421 9.202 1.00 0.00 O ATOM 1390 CB LYS A 87 189.671 9.370 11.224 1.00 0.00 C ATOM 1391 CG LYS A 87 190.251 7.996 11.548 1.00 0.00 C ATOM 1392 CD LYS A 87 191.720 8.082 11.934 1.00 0.00 C ATOM 1393 CE LYS A 87 192.454 6.778 11.651 1.00 0.00 C ATOM 1394 NZ LYS A 87 191.603 5.585 11.916 1.00 0.00 N ATOM 0 H LYS A 87 188.130 9.905 9.376 1.00 0.00 H new ATOM 0 HA LYS A 87 190.638 10.942 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.917 10.052 12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.584 9.290 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.686 7.546 12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 87 190.140 7.341 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 87 192.194 8.894 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.804 8.325 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 87 192.781 6.765 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 87 193.351 6.727 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 192.209 4.759 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 191.007 5.762 12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.998 5.400 11.090 1.00 0.00 H new ATOM 1408 N LEU A 88 190.740 7.992 8.646 1.00 0.00 N ATOM 1409 CA LEU A 88 191.633 7.064 7.961 1.00 0.00 C ATOM 1410 C LEU A 88 192.419 7.773 6.865 1.00 0.00 C ATOM 1411 O LEU A 88 193.507 7.339 6.486 1.00 0.00 O ATOM 1412 CB LEU A 88 190.835 5.902 7.364 1.00 0.00 C ATOM 1413 CG LEU A 88 191.658 4.659 7.023 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.780 3.417 7.035 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.335 4.823 5.669 1.00 0.00 C ATOM 0 H LEU A 88 189.759 7.712 8.646 1.00 0.00 H new ATOM 0 HA LEU A 88 192.340 6.672 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.053 5.619 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.338 6.250 6.458 1.00 0.00 H new ATOM 0 HG LEU A 88 192.431 4.539 7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.383 2.543 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 88 190.343 3.290 8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.984 3.527 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.916 3.929 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 88 191.578 4.968 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.996 5.689 5.695 1.00 0.00 H new