USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 955 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.33) USER MOD Set 3.1: A 39 CYS SG : rot 70:sc= -7.4! USER MOD Set 3.2: A 63 ASN : amide:sc= -11.6! C(o=-19!,f=-16!) USER MOD Set 4.1: A 20 TYR OH : rot 0:sc= -0.456! USER MOD Set 4.2: A 43 HIS : no HE2:sc= -0.926 K(o=-1.4,f=-16!) USER MOD Set 5.1: A 27 ASN : amide:sc= -15.8! C(o=-18!,f=-14!) USER MOD Set 5.2: A 29 SER OG : rot -4:sc= -0.258! USER MOD Set 5.3: A 30 SER OG : rot 180:sc= 0 USER MOD Set 5.4: A 31 SER OG : rot -110:sc= -1.98! USER MOD Set 6.1: A 22 HIS : no HE2:sc= -5.31! C(o=-7.6!,f=-15!) USER MOD Set 6.2: A 36 MET CE :methyl 161:sc= -0.249 (180deg=0) USER MOD Set 6.3: A 52 TYR OH : rot -150:sc= -2.02 USER MOD Set 7.1: A 19 ASN : amide:sc= -0.0384 K(o=-0.038,f=-1.9!) USER MOD Set 7.2: A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.105) USER MOD Single : A 1 GLY N :NH3+ -135:sc= -0.506 (180deg=-1.8!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.062 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0204 (180deg=-0.286) USER MOD Single : A 7 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.8!) USER MOD Single : A 13 CYS SG : rot -46:sc= -4.09! USER MOD Single : A 16 MET CE :methyl -164:sc= -1.3 (180deg=-1.95) USER MOD Single : A 17 THR OG1 : rot 69:sc= 0.808 USER MOD Single : A 26 GLN : amide:sc=-0.00191 K(o=-0.0019,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 83:sc= -1.25! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 93:sc= 1.12 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0272) USER MOD Single : A 77 CYS SG : rot -60:sc= -3.78! USER MOD Single : A 79 GLN : amide:sc=-0.00628 K(o=-0.0063,f=-1.1) USER MOD Single : A 86 MET CE :methyl -162:sc=-0.00228 (180deg=-0.0737) USER MOD Single : A 94 SER OG : rot 85:sc= 0.0277 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.0459 (180deg=-0.615) USER MOD Single : A 96 CYS SG : rot -57:sc= -2.63! USER MOD Single : A 99 THR OG1 : rot 91:sc= 0.791 USER MOD Single : A 100 TYR OH : rot 165:sc= 0 USER MOD Single : A 107 SER OG : rot -38:sc= 0.67 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 166:sc=-0.00283 (180deg=-0.21) USER MOD Single : A 115 LYS NZ :NH3+ -126:sc= -1.81! (180deg=-5.81!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 155:sc= -0.285 (180deg=-1.16) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.333 23.061 3.713 1.00 0.00 N ATOM 2 CA GLY A 1 10.696 23.111 5.058 1.00 0.00 C ATOM 3 C GLY A 1 9.796 21.894 5.237 1.00 0.00 C ATOM 4 O GLY A 1 8.570 22.004 5.179 1.00 0.00 O ATOM 0 H1 GLY A 1 12.344 23.289 3.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.226 22.107 3.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.874 23.752 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.461 23.129 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.114 24.026 5.163 1.00 0.00 H new ATOM 10 N PRO A 2 10.378 20.742 5.456 1.00 0.00 N ATOM 11 CA PRO A 2 9.605 19.489 5.653 1.00 0.00 C ATOM 12 C PRO A 2 8.914 19.501 7.007 1.00 0.00 C ATOM 13 O PRO A 2 9.523 19.200 8.036 1.00 0.00 O ATOM 14 CB PRO A 2 10.651 18.352 5.559 1.00 0.00 C ATOM 15 CG PRO A 2 11.990 19.010 5.317 1.00 0.00 C ATOM 16 CD PRO A 2 11.821 20.523 5.545 1.00 0.00 C ATOM 0 HA PRO A 2 8.816 19.365 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.669 17.766 6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.405 17.666 4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.743 18.604 5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.334 18.813 4.302 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.210 20.825 6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.358 21.101 4.793 1.00 0.00 H new ATOM 24 N LEU A 3 7.638 19.861 6.997 1.00 0.00 N ATOM 25 CA LEU A 3 6.850 19.928 8.222 1.00 0.00 C ATOM 26 C LEU A 3 5.866 18.764 8.288 1.00 0.00 C ATOM 27 O LEU A 3 4.960 18.750 9.121 1.00 0.00 O ATOM 28 CB LEU A 3 6.098 21.265 8.268 1.00 0.00 C ATOM 29 CG LEU A 3 7.111 22.425 8.238 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.372 23.777 8.153 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.983 22.383 9.507 1.00 0.00 C ATOM 0 H LEU A 3 7.124 20.112 6.152 1.00 0.00 H new ATOM 0 HA LEU A 3 7.516 19.858 9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.417 21.341 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.490 21.322 9.171 1.00 0.00 H new ATOM 0 HG LEU A 3 7.747 22.318 7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.099 24.589 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.770 23.806 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.724 23.893 9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.699 23.204 9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.348 22.480 10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.520 21.435 9.549 1.00 0.00 H new ATOM 43 N GLY A 4 6.051 17.787 7.400 1.00 0.00 N ATOM 44 CA GLY A 4 5.176 16.615 7.358 1.00 0.00 C ATOM 45 C GLY A 4 5.950 15.374 6.933 1.00 0.00 C ATOM 46 O GLY A 4 6.327 15.232 5.769 1.00 0.00 O ATOM 0 H GLY A 4 6.796 17.783 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.731 16.453 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.356 16.793 6.662 1.00 0.00 H new ATOM 50 N SER A 5 6.185 14.483 7.889 1.00 0.00 N ATOM 51 CA SER A 5 6.916 13.252 7.615 1.00 0.00 C ATOM 52 C SER A 5 6.051 12.291 6.805 1.00 0.00 C ATOM 53 O SER A 5 6.330 12.019 5.637 1.00 0.00 O ATOM 54 CB SER A 5 7.323 12.588 8.927 1.00 0.00 C ATOM 55 OG SER A 5 6.158 12.321 9.698 1.00 0.00 O ATOM 0 H SER A 5 5.881 14.589 8.857 1.00 0.00 H new ATOM 0 HA SER A 5 7.808 13.498 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.862 11.662 8.728 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.000 13.237 9.482 1.00 0.00 H new ATOM 0 HG SER A 5 6.415 11.893 10.541 1.00 0.00 H new ATOM 61 N LYS A 6 5.001 11.784 7.438 1.00 0.00 N ATOM 62 CA LYS A 6 4.094 10.852 6.775 1.00 0.00 C ATOM 63 C LYS A 6 3.462 11.498 5.551 1.00 0.00 C ATOM 64 O LYS A 6 2.907 10.813 4.692 1.00 0.00 O ATOM 65 CB LYS A 6 3.002 10.416 7.753 1.00 0.00 C ATOM 66 CG LYS A 6 2.200 11.642 8.202 1.00 0.00 C ATOM 67 CD LYS A 6 1.177 11.232 9.268 1.00 0.00 C ATOM 68 CE LYS A 6 0.331 12.443 9.675 1.00 0.00 C ATOM 69 NZ LYS A 6 1.195 13.445 10.359 1.00 0.00 N ATOM 0 H LYS A 6 4.756 12.000 8.404 1.00 0.00 H new ATOM 0 HA LYS A 6 4.663 9.981 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.342 9.690 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.448 9.923 8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.872 12.401 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.690 12.087 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.533 10.442 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.690 10.827 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.133 12.888 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.476 12.130 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.598 14.127 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.821 12.961 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.770 13.948 9.653 1.00 0.00 H new ATOM 83 N ASN A 7 3.554 12.818 5.474 1.00 0.00 N ATOM 84 CA ASN A 7 2.993 13.545 4.346 1.00 0.00 C ATOM 85 C ASN A 7 3.681 13.110 3.057 1.00 0.00 C ATOM 86 O ASN A 7 3.041 12.963 2.016 1.00 0.00 O ATOM 87 CB ASN A 7 3.182 15.051 4.549 1.00 0.00 C ATOM 88 CG ASN A 7 2.668 15.810 3.331 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.125 15.571 2.213 1.00 0.00 O ATOM 90 ND2 ASN A 7 1.740 16.714 3.479 1.00 0.00 N ATOM 0 H ASN A 7 4.009 13.404 6.175 1.00 0.00 H new ATOM 0 HA ASN A 7 1.928 13.325 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.648 15.376 5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.237 15.275 4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.391 17.225 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.363 16.911 4.406 1.00 0.00 H new ATOM 97 N MET A 8 4.990 12.905 3.143 1.00 0.00 N ATOM 98 CA MET A 8 5.774 12.485 1.988 1.00 0.00 C ATOM 99 C MET A 8 5.260 11.146 1.464 1.00 0.00 C ATOM 100 O MET A 8 5.102 10.957 0.256 1.00 0.00 O ATOM 101 CB MET A 8 7.243 12.349 2.401 1.00 0.00 C ATOM 102 CG MET A 8 8.119 12.090 1.172 1.00 0.00 C ATOM 103 SD MET A 8 9.837 11.848 1.693 1.00 0.00 S ATOM 104 CE MET A 8 10.500 11.401 0.070 1.00 0.00 C ATOM 0 H MET A 8 5.531 13.023 4.000 1.00 0.00 H new ATOM 0 HA MET A 8 5.681 13.230 1.198 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.572 13.258 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.353 11.531 3.113 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.763 11.209 0.638 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.052 12.931 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.569 11.204 0.155 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.994 10.507 -0.296 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.337 12.222 -0.628 1.00 0.00 H new ATOM 114 N LEU A 9 4.984 10.227 2.387 1.00 0.00 N ATOM 115 CA LEU A 9 4.478 8.915 2.032 1.00 0.00 C ATOM 116 C LEU A 9 3.136 9.047 1.332 1.00 0.00 C ATOM 117 O LEU A 9 2.871 8.375 0.336 1.00 0.00 O ATOM 118 CB LEU A 9 4.304 8.090 3.304 1.00 0.00 C ATOM 119 CG LEU A 9 5.655 7.581 3.781 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.503 7.023 5.195 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.189 6.479 2.840 1.00 0.00 C ATOM 0 H LEU A 9 5.105 10.374 3.389 1.00 0.00 H new ATOM 0 HA LEU A 9 5.183 8.425 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.840 8.697 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.636 7.250 3.114 1.00 0.00 H new ATOM 0 HG LEU A 9 6.367 8.406 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.467 6.655 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.150 7.811 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.783 6.205 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.156 6.130 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.487 5.646 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.301 6.883 1.834 1.00 0.00 H new ATOM 133 N LEU A 10 2.296 9.920 1.870 1.00 0.00 N ATOM 134 CA LEU A 10 0.974 10.139 1.290 1.00 0.00 C ATOM 135 C LEU A 10 1.136 10.638 -0.142 1.00 0.00 C ATOM 136 O LEU A 10 0.480 10.159 -1.064 1.00 0.00 O ATOM 137 CB LEU A 10 0.189 11.159 2.141 1.00 0.00 C ATOM 138 CG LEU A 10 -1.192 11.443 1.521 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.989 10.135 1.394 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.963 12.441 2.408 1.00 0.00 C ATOM 0 H LEU A 10 2.500 10.482 2.696 1.00 0.00 H new ATOM 0 HA LEU A 10 0.413 9.204 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.066 10.776 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.755 12.087 2.218 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.057 11.873 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.964 10.344 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.446 9.438 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.123 9.693 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.940 12.640 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.094 12.017 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.401 13.372 2.481 1.00 0.00 H new ATOM 152 N GLU A 11 2.031 11.594 -0.317 1.00 0.00 N ATOM 153 CA GLU A 11 2.309 12.160 -1.636 1.00 0.00 C ATOM 154 C GLU A 11 2.780 11.065 -2.576 1.00 0.00 C ATOM 155 O GLU A 11 2.235 10.842 -3.658 1.00 0.00 O ATOM 156 CB GLU A 11 3.431 13.171 -1.478 1.00 0.00 C ATOM 157 CG GLU A 11 3.632 13.930 -2.783 1.00 0.00 C ATOM 158 CD GLU A 11 2.466 14.880 -3.021 1.00 0.00 C ATOM 159 OE1 GLU A 11 1.675 15.055 -2.108 1.00 0.00 O ATOM 160 OE2 GLU A 11 2.378 15.414 -4.113 1.00 0.00 O ATOM 0 H GLU A 11 2.583 12.000 0.439 1.00 0.00 H new ATOM 0 HA GLU A 11 1.410 12.624 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.194 13.868 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.353 12.663 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.566 14.490 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.714 13.227 -3.612 1.00 0.00 H new ATOM 167 N TRP A 12 3.813 10.410 -2.106 1.00 0.00 N ATOM 168 CA TRP A 12 4.474 9.320 -2.791 1.00 0.00 C ATOM 169 C TRP A 12 3.470 8.255 -3.242 1.00 0.00 C ATOM 170 O TRP A 12 3.322 7.996 -4.436 1.00 0.00 O ATOM 171 CB TRP A 12 5.447 8.786 -1.752 1.00 0.00 C ATOM 172 CG TRP A 12 6.227 7.611 -2.203 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.347 7.642 -2.954 1.00 0.00 C ATOM 174 CD2 TRP A 12 5.997 6.230 -1.852 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.818 6.347 -3.095 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.011 5.439 -2.433 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.003 5.601 -1.096 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.040 4.055 -2.260 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.024 4.209 -0.916 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.042 3.438 -1.498 1.00 0.00 C ATOM 0 H TRP A 12 4.234 10.627 -1.203 1.00 0.00 H new ATOM 0 HA TRP A 12 4.976 9.632 -3.707 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.138 9.582 -1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.891 8.517 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.800 8.527 -3.375 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.655 6.095 -3.621 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.215 6.189 -0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.825 3.466 -2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.255 3.730 -0.328 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.055 2.367 -1.358 1.00 0.00 H new ATOM 191 N CYS A 13 2.771 7.655 -2.284 1.00 0.00 N ATOM 192 CA CYS A 13 1.773 6.631 -2.591 1.00 0.00 C ATOM 193 C CYS A 13 0.765 7.139 -3.630 1.00 0.00 C ATOM 194 O CYS A 13 0.426 6.441 -4.584 1.00 0.00 O ATOM 195 CB CYS A 13 1.045 6.259 -1.295 1.00 0.00 C ATOM 196 SG CYS A 13 -0.137 7.560 -0.860 1.00 0.00 S ATOM 0 H CYS A 13 2.875 7.858 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 13 2.271 5.757 -3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.525 5.309 -1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.765 6.125 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 13 0.431 8.722 -0.987 1.00 0.00 H new ATOM 202 N ARG A 14 0.313 8.371 -3.432 1.00 0.00 N ATOM 203 CA ARG A 14 -0.637 9.002 -4.350 1.00 0.00 C ATOM 204 C ARG A 14 -0.018 9.161 -5.730 1.00 0.00 C ATOM 205 O ARG A 14 -0.669 8.950 -6.754 1.00 0.00 O ATOM 206 CB ARG A 14 -1.029 10.383 -3.825 1.00 0.00 C ATOM 207 CG ARG A 14 -2.033 10.242 -2.682 1.00 0.00 C ATOM 208 CD ARG A 14 -2.333 11.619 -2.089 1.00 0.00 C ATOM 209 NE ARG A 14 -2.938 12.488 -3.095 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.238 12.429 -3.367 1.00 0.00 C ATOM 211 NH1 ARG A 14 -4.703 11.470 -4.121 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.050 13.330 -2.885 1.00 0.00 N ATOM 0 H ARG A 14 0.587 8.957 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.519 8.365 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.143 10.914 -3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.462 10.977 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.952 9.784 -3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.632 9.583 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.005 11.516 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.413 12.069 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.352 13.153 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.069 10.767 -4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.700 11.424 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.688 14.082 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.047 13.283 -3.095 1.00 0.00 H new ATOM 226 N ALA A 15 1.236 9.563 -5.735 1.00 0.00 N ATOM 227 CA ALA A 15 1.959 9.789 -6.979 1.00 0.00 C ATOM 228 C ALA A 15 2.105 8.503 -7.781 1.00 0.00 C ATOM 229 O ALA A 15 2.291 8.540 -8.997 1.00 0.00 O ATOM 230 CB ALA A 15 3.344 10.356 -6.670 1.00 0.00 C ATOM 0 H ALA A 15 1.781 9.742 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 15 1.388 10.499 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.884 10.525 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.240 11.300 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.897 9.648 -6.053 1.00 0.00 H new ATOM 236 N MET A 16 2.043 7.365 -7.097 1.00 0.00 N ATOM 237 CA MET A 16 2.193 6.066 -7.748 1.00 0.00 C ATOM 238 C MET A 16 0.872 5.297 -7.731 1.00 0.00 C ATOM 239 O MET A 16 0.785 4.188 -8.261 1.00 0.00 O ATOM 240 CB MET A 16 3.290 5.274 -7.022 1.00 0.00 C ATOM 241 CG MET A 16 4.667 5.668 -7.580 1.00 0.00 C ATOM 242 SD MET A 16 4.944 7.443 -7.346 1.00 0.00 S ATOM 243 CE MET A 16 5.813 7.345 -5.762 1.00 0.00 C ATOM 0 H MET A 16 1.890 7.315 -6.090 1.00 0.00 H new ATOM 0 HA MET A 16 2.476 6.211 -8.791 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.249 5.475 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.126 4.204 -7.152 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.449 5.100 -7.076 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.724 5.419 -8.640 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.829 8.329 -5.294 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.299 6.641 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.835 7.006 -5.928 1.00 0.00 H new ATOM 253 N THR A 17 -0.150 5.891 -7.115 1.00 0.00 N ATOM 254 CA THR A 17 -1.469 5.259 -7.026 1.00 0.00 C ATOM 255 C THR A 17 -2.469 5.936 -7.963 1.00 0.00 C ATOM 256 O THR A 17 -3.582 5.444 -8.153 1.00 0.00 O ATOM 257 CB THR A 17 -1.989 5.339 -5.592 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.097 4.660 -4.722 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.374 4.697 -5.510 1.00 0.00 C ATOM 0 H THR A 17 -0.092 6.807 -6.671 1.00 0.00 H new ATOM 0 HA THR A 17 -1.363 4.216 -7.324 1.00 0.00 H new ATOM 0 HB THR A 17 -2.058 6.385 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.254 5.156 -4.666 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.742 4.756 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.060 5.225 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.309 3.652 -5.813 1.00 0.00 H new ATOM 267 N ARG A 18 -2.062 7.052 -8.555 1.00 0.00 N ATOM 268 CA ARG A 18 -2.922 7.772 -9.488 1.00 0.00 C ATOM 269 C ARG A 18 -3.209 6.888 -10.702 1.00 0.00 C ATOM 270 O ARG A 18 -4.363 6.625 -11.051 1.00 0.00 O ATOM 271 CB ARG A 18 -2.201 9.040 -9.927 1.00 0.00 C ATOM 272 CG ARG A 18 -3.122 9.841 -10.835 1.00 0.00 C ATOM 273 CD ARG A 18 -2.465 11.167 -11.197 1.00 0.00 C ATOM 274 NE ARG A 18 -3.340 11.913 -12.090 1.00 0.00 N ATOM 275 CZ ARG A 18 -3.042 13.149 -12.462 1.00 0.00 C ATOM 276 NH1 ARG A 18 -2.267 13.349 -13.492 1.00 0.00 N ATOM 277 NH2 ARG A 18 -3.523 14.162 -11.797 1.00 0.00 N ATOM 0 H ARG A 18 -1.147 7.477 -8.407 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.867 8.030 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.919 9.634 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.280 8.787 -10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.339 9.273 -11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.074 10.021 -10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.269 11.746 -10.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.503 10.989 -11.677 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.196 11.477 -12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.891 12.554 -14.010 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.037 14.300 -13.780 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.128 14.002 -10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.294 15.114 -12.082 1.00 0.00 H new ATOM 291 N ASN A 19 -2.126 6.433 -11.317 1.00 0.00 N ATOM 292 CA ASN A 19 -2.207 5.558 -12.486 1.00 0.00 C ATOM 293 C ASN A 19 -3.219 4.452 -12.225 1.00 0.00 C ATOM 294 O ASN A 19 -3.800 3.884 -13.151 1.00 0.00 O ATOM 295 CB ASN A 19 -0.841 4.933 -12.765 1.00 0.00 C ATOM 296 CG ASN A 19 0.123 5.993 -13.286 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.306 7.057 -13.731 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.408 5.765 -13.257 1.00 0.00 N ATOM 0 H ASN A 19 -1.174 6.655 -11.026 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.518 6.147 -13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.444 4.486 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.942 4.131 -13.496 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.059 6.470 -13.604 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.761 4.882 -12.888 1.00 0.00 H new ATOM 305 N TYR A 20 -3.417 4.151 -10.947 1.00 0.00 N ATOM 306 CA TYR A 20 -4.351 3.112 -10.530 1.00 0.00 C ATOM 307 C TYR A 20 -5.721 3.714 -10.218 1.00 0.00 C ATOM 308 O TYR A 20 -5.945 4.238 -9.136 1.00 0.00 O ATOM 309 CB TYR A 20 -3.795 2.424 -9.282 1.00 0.00 C ATOM 310 CG TYR A 20 -2.685 1.483 -9.683 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.470 1.998 -10.145 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.874 0.102 -9.595 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.440 1.127 -10.515 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.843 -0.769 -9.960 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.624 -0.258 -10.422 1.00 0.00 C ATOM 316 OH TYR A 20 0.397 -1.115 -10.779 1.00 0.00 O ATOM 0 H TYR A 20 -2.939 4.616 -10.176 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.470 2.390 -11.337 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.420 3.168 -8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.587 1.875 -8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.327 3.066 -10.216 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.816 -0.293 -9.245 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.499 1.523 -10.873 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.987 -1.837 -9.886 1.00 0.00 H new ATOM 0 HH TYR A 20 1.176 -0.594 -11.066 1.00 0.00 H new ATOM 326 N GLU A 21 -6.621 3.649 -11.186 1.00 0.00 N ATOM 327 CA GLU A 21 -7.969 4.198 -11.019 1.00 0.00 C ATOM 328 C GLU A 21 -8.760 3.372 -10.015 1.00 0.00 C ATOM 329 O GLU A 21 -8.249 2.402 -9.461 1.00 0.00 O ATOM 330 CB GLU A 21 -8.708 4.190 -12.358 1.00 0.00 C ATOM 331 CG GLU A 21 -8.278 2.966 -13.169 1.00 0.00 C ATOM 332 CD GLU A 21 -8.412 1.704 -12.321 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.467 1.519 -11.736 1.00 0.00 O ATOM 334 OE2 GLU A 21 -7.455 0.952 -12.256 1.00 0.00 O ATOM 0 H GLU A 21 -6.449 3.223 -12.097 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.877 5.221 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.785 4.169 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.489 5.103 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.893 2.879 -14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.246 3.083 -13.501 1.00 0.00 H new ATOM 341 N HIS A 22 -10.009 3.775 -9.785 1.00 0.00 N ATOM 342 CA HIS A 22 -10.869 3.074 -8.840 1.00 0.00 C ATOM 343 C HIS A 22 -10.235 3.142 -7.451 1.00 0.00 C ATOM 344 O HIS A 22 -10.791 2.674 -6.463 1.00 0.00 O ATOM 345 CB HIS A 22 -11.058 1.608 -9.302 1.00 0.00 C ATOM 346 CG HIS A 22 -12.106 0.909 -8.477 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.997 0.778 -7.107 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.271 0.267 -8.822 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.063 0.083 -6.676 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.874 -0.252 -7.681 1.00 0.00 N ATOM 0 H HIS A 22 -10.444 4.579 -10.238 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.852 3.543 -8.798 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.346 1.589 -10.353 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.111 1.073 -9.222 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.242 1.143 -6.526 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.659 0.179 -9.826 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.242 -0.173 -5.642 1.00 0.00 H new ATOM 358 N VAL A 23 -9.052 3.754 -7.397 1.00 0.00 N ATOM 359 CA VAL A 23 -8.305 3.907 -6.155 1.00 0.00 C ATOM 360 C VAL A 23 -7.945 5.374 -5.942 1.00 0.00 C ATOM 361 O VAL A 23 -7.413 6.030 -6.838 1.00 0.00 O ATOM 362 CB VAL A 23 -7.029 3.066 -6.246 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.189 3.221 -4.980 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.400 1.591 -6.436 1.00 0.00 C ATOM 0 H VAL A 23 -8.588 4.155 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.912 3.572 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.444 3.413 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.287 2.615 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.912 4.268 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.767 2.891 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.491 0.993 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.997 1.254 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.976 1.476 -7.354 1.00 0.00 H new ATOM 374 N ASP A 24 -8.227 5.874 -4.745 1.00 0.00 N ATOM 375 CA ASP A 24 -7.923 7.265 -4.395 1.00 0.00 C ATOM 376 C ASP A 24 -7.507 7.346 -2.932 1.00 0.00 C ATOM 377 O ASP A 24 -8.325 7.155 -2.033 1.00 0.00 O ATOM 378 CB ASP A 24 -9.142 8.153 -4.640 1.00 0.00 C ATOM 379 CG ASP A 24 -8.754 9.618 -4.483 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.673 9.873 -3.977 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.541 10.463 -4.875 1.00 0.00 O ATOM 0 H ASP A 24 -8.667 5.339 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.104 7.617 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.536 7.977 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.935 7.900 -3.936 1.00 0.00 H new ATOM 386 N ILE A 25 -6.224 7.601 -2.698 1.00 0.00 N ATOM 387 CA ILE A 25 -5.703 7.662 -1.333 1.00 0.00 C ATOM 388 C ILE A 25 -5.880 9.045 -0.697 1.00 0.00 C ATOM 389 O ILE A 25 -5.014 9.915 -0.795 1.00 0.00 O ATOM 390 CB ILE A 25 -4.232 7.239 -1.341 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.156 5.797 -1.860 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.662 7.303 0.080 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.700 5.380 -2.092 1.00 0.00 C ATOM 0 H ILE A 25 -5.530 7.768 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.280 6.973 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.653 7.906 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.623 5.122 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.717 5.710 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.615 7.001 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.740 8.322 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.225 6.632 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.669 4.354 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.244 6.043 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.149 5.446 -1.154 1.00 0.00 H new ATOM 405 N GLN A 26 -7.019 9.204 -0.013 1.00 0.00 N ATOM 406 CA GLN A 26 -7.349 10.445 0.696 1.00 0.00 C ATOM 407 C GLN A 26 -7.097 10.243 2.186 1.00 0.00 C ATOM 408 O GLN A 26 -7.285 11.149 3.000 1.00 0.00 O ATOM 409 CB GLN A 26 -8.819 10.815 0.465 1.00 0.00 C ATOM 410 CG GLN A 26 -9.683 9.557 0.531 1.00 0.00 C ATOM 411 CD GLN A 26 -11.154 9.934 0.400 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.559 11.009 0.842 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.981 9.112 -0.184 1.00 0.00 N ATOM 0 H GLN A 26 -7.734 8.481 0.064 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.725 11.255 0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.146 11.532 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.935 11.297 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.402 8.869 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.514 9.037 1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.642 8.222 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.966 9.359 -0.275 1.00 0.00 H new ATOM 422 N ASN A 27 -6.657 9.041 2.517 1.00 0.00 N ATOM 423 CA ASN A 27 -6.352 8.675 3.886 1.00 0.00 C ATOM 424 C ASN A 27 -5.681 7.318 3.881 1.00 0.00 C ATOM 425 O ASN A 27 -5.443 6.741 2.819 1.00 0.00 O ATOM 426 CB ASN A 27 -7.622 8.634 4.745 1.00 0.00 C ATOM 427 CG ASN A 27 -8.565 7.546 4.245 1.00 0.00 C ATOM 428 OD1 ASN A 27 -9.225 6.887 5.043 1.00 0.00 O ATOM 429 ND2 ASN A 27 -8.667 7.320 2.965 1.00 0.00 N ATOM 0 H ASN A 27 -6.502 8.292 1.842 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.688 9.423 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.359 8.446 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.123 9.602 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.297 6.594 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.117 7.870 2.305 1.00 0.00 H new ATOM 436 N PHE A 28 -5.359 6.809 5.056 1.00 0.00 N ATOM 437 CA PHE A 28 -4.695 5.515 5.146 1.00 0.00 C ATOM 438 C PHE A 28 -5.667 4.448 5.624 1.00 0.00 C ATOM 439 O PHE A 28 -5.363 3.254 5.605 1.00 0.00 O ATOM 440 CB PHE A 28 -3.528 5.622 6.129 1.00 0.00 C ATOM 441 CG PHE A 28 -2.417 6.432 5.504 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.386 7.823 5.666 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.422 5.795 4.756 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.359 8.573 5.081 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.397 6.544 4.169 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.364 7.935 4.332 1.00 0.00 C ATOM 0 H PHE A 28 -5.542 7.262 5.952 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.329 5.233 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.860 6.093 7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.165 4.628 6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.154 8.317 6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.445 4.722 4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.335 9.645 5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.369 6.050 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.428 8.514 3.880 1.00 0.00 H new ATOM 456 N SER A 29 -6.828 4.896 6.076 1.00 0.00 N ATOM 457 CA SER A 29 -7.847 3.997 6.615 1.00 0.00 C ATOM 458 C SER A 29 -8.956 3.661 5.620 1.00 0.00 C ATOM 459 O SER A 29 -9.010 2.561 5.071 1.00 0.00 O ATOM 460 CB SER A 29 -8.481 4.660 7.838 1.00 0.00 C ATOM 461 OG SER A 29 -8.910 5.970 7.492 1.00 0.00 O ATOM 0 H SER A 29 -7.093 5.881 6.082 1.00 0.00 H new ATOM 0 HA SER A 29 -7.346 3.061 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.327 4.069 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.762 4.704 8.656 1.00 0.00 H new ATOM 0 HG SER A 29 -8.647 6.167 6.569 1.00 0.00 H new ATOM 467 N SER A 30 -9.853 4.607 5.426 1.00 0.00 N ATOM 468 CA SER A 30 -11.001 4.412 4.544 1.00 0.00 C ATOM 469 C SER A 30 -10.599 4.075 3.119 1.00 0.00 C ATOM 470 O SER A 30 -11.241 3.253 2.465 1.00 0.00 O ATOM 471 CB SER A 30 -11.865 5.673 4.523 1.00 0.00 C ATOM 472 OG SER A 30 -12.227 6.018 5.853 1.00 0.00 O ATOM 0 H SER A 30 -9.814 5.526 5.867 1.00 0.00 H new ATOM 0 HA SER A 30 -11.559 3.566 4.944 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.319 6.494 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.759 5.505 3.923 1.00 0.00 H new ATOM 0 HG SER A 30 -12.780 6.827 5.842 1.00 0.00 H new ATOM 478 N SER A 31 -9.562 4.721 2.630 1.00 0.00 N ATOM 479 CA SER A 31 -9.122 4.488 1.265 1.00 0.00 C ATOM 480 C SER A 31 -8.431 3.138 1.128 1.00 0.00 C ATOM 481 O SER A 31 -7.962 2.782 0.047 1.00 0.00 O ATOM 482 CB SER A 31 -8.179 5.603 0.835 1.00 0.00 C ATOM 483 OG SER A 31 -8.934 6.790 0.632 1.00 0.00 O ATOM 0 H SER A 31 -9.011 5.405 3.148 1.00 0.00 H new ATOM 0 HA SER A 31 -10.000 4.481 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.416 5.767 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.659 5.325 -0.082 1.00 0.00 H new ATOM 0 HG SER A 31 -8.967 6.997 -0.325 1.00 0.00 H new ATOM 489 N TRP A 32 -8.364 2.393 2.231 1.00 0.00 N ATOM 490 CA TRP A 32 -7.714 1.083 2.239 1.00 0.00 C ATOM 491 C TRP A 32 -8.711 -0.043 2.507 1.00 0.00 C ATOM 492 O TRP A 32 -8.360 -1.220 2.424 1.00 0.00 O ATOM 493 CB TRP A 32 -6.651 1.095 3.323 1.00 0.00 C ATOM 494 CG TRP A 32 -5.545 1.991 2.912 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.652 3.327 2.771 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.173 1.646 2.597 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.426 3.826 2.373 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.480 2.827 2.262 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.473 0.432 2.569 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.133 2.805 1.917 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.116 0.407 2.214 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.448 1.591 1.891 1.00 0.00 C ATOM 0 H TRP A 32 -8.752 2.675 3.131 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.274 0.898 1.259 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.080 1.436 4.265 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.274 0.086 3.491 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.545 3.910 2.940 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.243 4.812 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.980 -0.487 2.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.620 3.723 1.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.585 -0.533 2.190 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.402 1.566 1.622 1.00 0.00 H new ATOM 513 N SER A 33 -9.944 0.315 2.850 1.00 0.00 N ATOM 514 CA SER A 33 -10.963 -0.685 3.145 1.00 0.00 C ATOM 515 C SER A 33 -11.116 -1.670 1.989 1.00 0.00 C ATOM 516 O SER A 33 -11.274 -2.869 2.210 1.00 0.00 O ATOM 517 CB SER A 33 -12.300 0.002 3.404 1.00 0.00 C ATOM 518 OG SER A 33 -13.342 -0.962 3.353 1.00 0.00 O ATOM 0 H SER A 33 -10.260 1.282 2.930 1.00 0.00 H new ATOM 0 HA SER A 33 -10.651 -1.236 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.288 0.490 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.472 0.780 2.660 1.00 0.00 H new ATOM 0 HG SER A 33 -14.202 -0.523 3.521 1.00 0.00 H new ATOM 524 N SER A 34 -11.082 -1.166 0.758 1.00 0.00 N ATOM 525 CA SER A 34 -11.227 -2.027 -0.414 1.00 0.00 C ATOM 526 C SER A 34 -10.086 -3.035 -0.518 1.00 0.00 C ATOM 527 O SER A 34 -10.225 -4.067 -1.173 1.00 0.00 O ATOM 528 CB SER A 34 -11.247 -1.169 -1.682 1.00 0.00 C ATOM 529 OG SER A 34 -11.888 0.066 -1.402 1.00 0.00 O ATOM 0 H SER A 34 -10.957 -0.176 0.546 1.00 0.00 H new ATOM 0 HA SER A 34 -12.163 -2.576 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.230 -0.993 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.773 -1.692 -2.481 1.00 0.00 H new ATOM 0 HG SER A 34 -11.901 0.619 -2.211 1.00 0.00 H new ATOM 535 N GLY A 35 -8.952 -2.716 0.092 1.00 0.00 N ATOM 536 CA GLY A 35 -7.796 -3.599 0.014 1.00 0.00 C ATOM 537 C GLY A 35 -7.142 -3.434 -1.344 1.00 0.00 C ATOM 538 O GLY A 35 -6.044 -3.931 -1.592 1.00 0.00 O ATOM 0 H GLY A 35 -8.808 -1.866 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.086 -3.361 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.102 -4.635 0.161 1.00 0.00 H new ATOM 542 N MET A 36 -7.841 -2.709 -2.211 1.00 0.00 N ATOM 543 CA MET A 36 -7.372 -2.439 -3.555 1.00 0.00 C ATOM 544 C MET A 36 -6.103 -1.593 -3.508 1.00 0.00 C ATOM 545 O MET A 36 -5.279 -1.641 -4.420 1.00 0.00 O ATOM 546 CB MET A 36 -8.463 -1.699 -4.332 1.00 0.00 C ATOM 547 CG MET A 36 -9.711 -2.586 -4.443 1.00 0.00 C ATOM 548 SD MET A 36 -11.037 -1.674 -5.274 1.00 0.00 S ATOM 549 CE MET A 36 -10.663 -2.211 -6.960 1.00 0.00 C ATOM 0 H MET A 36 -8.748 -2.294 -1.997 1.00 0.00 H new ATOM 0 HA MET A 36 -7.145 -3.381 -4.054 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.712 -0.765 -3.828 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.101 -1.438 -5.326 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.476 -3.493 -5.000 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.037 -2.897 -3.451 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.535 -2.051 -7.595 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.822 -1.636 -7.347 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.407 -3.270 -6.956 1.00 0.00 H new ATOM 559 N ALA A 37 -5.959 -0.805 -2.444 1.00 0.00 N ATOM 560 CA ALA A 37 -4.788 0.053 -2.299 1.00 0.00 C ATOM 561 C ALA A 37 -3.507 -0.772 -2.126 1.00 0.00 C ATOM 562 O ALA A 37 -2.521 -0.544 -2.825 1.00 0.00 O ATOM 563 CB ALA A 37 -4.968 0.989 -1.106 1.00 0.00 C ATOM 0 H ALA A 37 -6.631 -0.744 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.690 0.642 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.088 1.625 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.850 1.611 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.094 0.400 -0.197 1.00 0.00 H new ATOM 569 N PHE A 38 -3.513 -1.718 -1.183 1.00 0.00 N ATOM 570 CA PHE A 38 -2.326 -2.540 -0.942 1.00 0.00 C ATOM 571 C PHE A 38 -1.895 -3.271 -2.214 1.00 0.00 C ATOM 572 O PHE A 38 -0.708 -3.323 -2.532 1.00 0.00 O ATOM 573 CB PHE A 38 -2.604 -3.568 0.191 1.00 0.00 C ATOM 574 CG PHE A 38 -1.962 -3.110 1.487 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.575 -2.931 1.539 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.742 -2.869 2.624 1.00 0.00 C ATOM 577 CE1 PHE A 38 0.034 -2.513 2.724 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.129 -2.450 3.816 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.742 -2.274 3.863 1.00 0.00 C ATOM 0 H PHE A 38 -4.311 -1.931 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.516 -1.879 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.679 -3.684 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.212 -4.545 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.026 -3.117 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.813 -3.005 2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.104 -2.374 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.728 -2.264 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.270 -1.953 4.780 1.00 0.00 H new ATOM 589 N CYS A 39 -2.852 -3.841 -2.924 1.00 0.00 N ATOM 590 CA CYS A 39 -2.534 -4.573 -4.147 1.00 0.00 C ATOM 591 C CYS A 39 -1.995 -3.634 -5.225 1.00 0.00 C ATOM 592 O CYS A 39 -1.006 -3.937 -5.891 1.00 0.00 O ATOM 593 CB CYS A 39 -3.789 -5.279 -4.666 1.00 0.00 C ATOM 594 SG CYS A 39 -3.999 -6.852 -3.798 1.00 0.00 S ATOM 0 H CYS A 39 -3.843 -3.815 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.764 -5.309 -3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.664 -4.647 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.704 -5.452 -5.739 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.338 -6.625 -2.564 1.00 0.00 H new ATOM 600 N ALA A 40 -2.679 -2.510 -5.400 1.00 0.00 N ATOM 601 CA ALA A 40 -2.307 -1.529 -6.417 1.00 0.00 C ATOM 602 C ALA A 40 -0.923 -0.927 -6.172 1.00 0.00 C ATOM 603 O ALA A 40 -0.142 -0.750 -7.107 1.00 0.00 O ATOM 604 CB ALA A 40 -3.344 -0.405 -6.418 1.00 0.00 C ATOM 0 H ALA A 40 -3.498 -2.253 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.276 -2.043 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.078 0.335 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.327 -0.817 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.367 0.070 -5.437 1.00 0.00 H new ATOM 610 N LEU A 41 -0.636 -0.597 -4.921 1.00 0.00 N ATOM 611 CA LEU A 41 0.645 0.005 -4.566 1.00 0.00 C ATOM 612 C LEU A 41 1.799 -0.967 -4.826 1.00 0.00 C ATOM 613 O LEU A 41 2.838 -0.587 -5.363 1.00 0.00 O ATOM 614 CB LEU A 41 0.596 0.416 -3.090 1.00 0.00 C ATOM 615 CG LEU A 41 1.897 1.105 -2.657 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.079 2.430 -3.415 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.823 1.379 -1.150 1.00 0.00 C ATOM 0 H LEU A 41 -1.271 -0.735 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 41 0.821 0.884 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.246 1.089 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.426 -0.465 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 41 2.746 0.459 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.006 2.907 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.121 2.233 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.239 3.091 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.740 1.869 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.971 2.026 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.705 0.437 -0.614 1.00 0.00 H new ATOM 629 N ILE A 42 1.597 -2.222 -4.452 1.00 0.00 N ATOM 630 CA ILE A 42 2.605 -3.264 -4.650 1.00 0.00 C ATOM 631 C ILE A 42 2.848 -3.538 -6.139 1.00 0.00 C ATOM 632 O ILE A 42 3.981 -3.745 -6.563 1.00 0.00 O ATOM 633 CB ILE A 42 2.143 -4.551 -3.936 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.206 -4.352 -2.408 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.001 -5.764 -4.334 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.655 -4.115 -1.922 1.00 0.00 C ATOM 0 H ILE A 42 0.740 -2.549 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 42 3.549 -2.922 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 42 1.117 -4.751 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.584 -3.503 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.794 -5.229 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.644 -6.650 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.928 -5.924 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.041 -5.578 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.658 -3.979 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.271 -4.976 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.058 -3.223 -2.401 1.00 0.00 H new ATOM 648 N HIS A 43 1.770 -3.577 -6.911 1.00 0.00 N ATOM 649 CA HIS A 43 1.867 -3.877 -8.339 1.00 0.00 C ATOM 650 C HIS A 43 2.852 -2.941 -9.039 1.00 0.00 C ATOM 651 O HIS A 43 3.710 -3.382 -9.805 1.00 0.00 O ATOM 652 CB HIS A 43 0.479 -3.727 -8.970 1.00 0.00 C ATOM 653 CG HIS A 43 0.492 -4.251 -10.380 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.386 -3.417 -11.480 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.582 -5.525 -10.883 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.410 -4.191 -12.579 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.529 -5.486 -12.273 1.00 0.00 N ATOM 0 H HIS A 43 0.821 -3.406 -6.577 1.00 0.00 H new ATOM 0 HA HIS A 43 2.232 -4.897 -8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.258 -4.270 -8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.181 -2.679 -8.966 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.305 -2.400 -11.460 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.679 -6.422 -10.290 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.341 -3.812 -13.588 1.00 0.00 H new ATOM 665 N LYS A 44 2.710 -1.652 -8.775 1.00 0.00 N ATOM 666 CA LYS A 44 3.568 -0.640 -9.393 1.00 0.00 C ATOM 667 C LYS A 44 5.037 -1.076 -9.379 1.00 0.00 C ATOM 668 O LYS A 44 5.810 -0.742 -10.273 1.00 0.00 O ATOM 669 CB LYS A 44 3.435 0.688 -8.616 1.00 0.00 C ATOM 670 CG LYS A 44 3.496 1.887 -9.573 1.00 0.00 C ATOM 671 CD LYS A 44 4.812 1.876 -10.357 1.00 0.00 C ATOM 672 CE LYS A 44 4.968 3.193 -11.111 1.00 0.00 C ATOM 673 NZ LYS A 44 3.943 3.270 -12.187 1.00 0.00 N ATOM 0 H LYS A 44 2.009 -1.276 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 44 3.251 -0.511 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.493 0.701 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.234 0.765 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.653 1.853 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.409 2.816 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.651 1.733 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.823 1.041 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.856 4.033 -10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.968 3.263 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.150 4.079 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.959 2.393 -12.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.002 3.392 -11.762 1.00 0.00 H new ATOM 687 N PHE A 45 5.419 -1.801 -8.338 1.00 0.00 N ATOM 688 CA PHE A 45 6.802 -2.251 -8.187 1.00 0.00 C ATOM 689 C PHE A 45 7.005 -3.668 -8.715 1.00 0.00 C ATOM 690 O PHE A 45 8.113 -4.037 -9.104 1.00 0.00 O ATOM 691 CB PHE A 45 7.180 -2.193 -6.705 1.00 0.00 C ATOM 692 CG PHE A 45 6.616 -0.935 -6.072 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.736 0.308 -6.718 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.976 -1.011 -4.826 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.217 1.462 -6.117 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.460 0.142 -4.232 1.00 0.00 C ATOM 697 CZ PHE A 45 5.580 1.380 -4.875 1.00 0.00 C ATOM 0 H PHE A 45 4.795 -2.092 -7.585 1.00 0.00 H new ATOM 0 HA PHE A 45 7.442 -1.592 -8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.796 -3.073 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.265 -2.209 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.228 0.373 -7.677 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.882 -1.963 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.309 2.417 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.967 0.079 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.181 2.271 -4.412 1.00 0.00 H new ATOM 707 N PHE A 46 5.946 -4.470 -8.697 1.00 0.00 N ATOM 708 CA PHE A 46 6.031 -5.861 -9.146 1.00 0.00 C ATOM 709 C PHE A 46 4.975 -6.171 -10.222 1.00 0.00 C ATOM 710 O PHE A 46 3.824 -6.435 -9.886 1.00 0.00 O ATOM 711 CB PHE A 46 5.819 -6.745 -7.925 1.00 0.00 C ATOM 712 CG PHE A 46 6.853 -6.382 -6.892 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.162 -6.852 -7.026 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.511 -5.565 -5.810 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.126 -6.510 -6.076 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.474 -5.221 -4.861 1.00 0.00 C ATOM 717 CZ PHE A 46 8.782 -5.692 -4.992 1.00 0.00 C ATOM 0 H PHE A 46 5.020 -4.185 -8.378 1.00 0.00 H new ATOM 0 HA PHE A 46 7.005 -6.046 -9.598 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.816 -6.603 -7.524 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.908 -7.797 -8.198 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.428 -7.479 -7.864 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.500 -5.200 -5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.137 -6.876 -6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.208 -4.591 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.528 -5.426 -4.258 1.00 0.00 H new ATOM 727 N PRO A 47 5.318 -6.143 -11.505 1.00 0.00 N ATOM 728 CA PRO A 47 4.334 -6.432 -12.593 1.00 0.00 C ATOM 729 C PRO A 47 4.039 -7.928 -12.705 1.00 0.00 C ATOM 730 O PRO A 47 2.897 -8.335 -12.922 1.00 0.00 O ATOM 731 CB PRO A 47 5.010 -5.911 -13.886 1.00 0.00 C ATOM 732 CG PRO A 47 6.351 -5.357 -13.479 1.00 0.00 C ATOM 733 CD PRO A 47 6.647 -5.848 -12.061 1.00 0.00 C ATOM 0 HA PRO A 47 3.374 -5.954 -12.401 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.128 -6.715 -14.612 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.400 -5.141 -14.359 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.127 -5.689 -14.168 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.341 -4.268 -13.512 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.282 -6.734 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.166 -5.089 -11.475 1.00 0.00 H new ATOM 741 N GLU A 48 5.082 -8.735 -12.541 1.00 0.00 N ATOM 742 CA GLU A 48 4.934 -10.180 -12.614 1.00 0.00 C ATOM 743 C GLU A 48 4.149 -10.656 -11.398 1.00 0.00 C ATOM 744 O GLU A 48 4.004 -11.854 -11.151 1.00 0.00 O ATOM 745 CB GLU A 48 6.317 -10.846 -12.659 1.00 0.00 C ATOM 746 CG GLU A 48 7.038 -10.450 -13.955 1.00 0.00 C ATOM 747 CD GLU A 48 6.299 -11.011 -15.166 1.00 0.00 C ATOM 748 OE1 GLU A 48 5.971 -12.186 -15.143 1.00 0.00 O ATOM 749 OE2 GLU A 48 6.067 -10.256 -16.097 1.00 0.00 O ATOM 0 H GLU A 48 6.033 -8.413 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 48 4.395 -10.454 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.907 -10.541 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.212 -11.930 -12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.098 -9.364 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.061 -10.825 -13.939 1.00 0.00 H new ATOM 756 N ALA A 49 3.658 -9.678 -10.642 1.00 0.00 N ATOM 757 CA ALA A 49 2.887 -9.937 -9.430 1.00 0.00 C ATOM 758 C ALA A 49 1.520 -10.507 -9.743 1.00 0.00 C ATOM 759 O ALA A 49 1.258 -11.694 -9.546 1.00 0.00 O ATOM 760 CB ALA A 49 2.689 -8.634 -8.662 1.00 0.00 C ATOM 0 H ALA A 49 3.783 -8.687 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 49 3.446 -10.663 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.113 -8.829 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.660 -8.220 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.152 -7.921 -9.287 1.00 0.00 H new ATOM 766 N PHE A 50 0.658 -9.641 -10.247 1.00 0.00 N ATOM 767 CA PHE A 50 -0.688 -10.022 -10.614 1.00 0.00 C ATOM 768 C PHE A 50 -1.320 -8.923 -11.455 1.00 0.00 C ATOM 769 O PHE A 50 -0.886 -7.772 -11.419 1.00 0.00 O ATOM 770 CB PHE A 50 -1.531 -10.266 -9.358 1.00 0.00 C ATOM 771 CG PHE A 50 -1.306 -9.147 -8.363 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.992 -7.933 -8.501 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.413 -9.327 -7.297 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.785 -6.900 -7.576 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.207 -8.293 -6.373 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.892 -7.080 -6.513 1.00 0.00 C ATOM 0 H PHE A 50 0.874 -8.658 -10.412 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.649 -10.944 -11.195 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.587 -10.322 -9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.263 -11.223 -8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.681 -7.793 -9.321 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.116 -10.262 -7.188 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.315 -5.965 -7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.481 -8.432 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.732 -6.284 -5.801 1.00 0.00 H new ATOM 786 N ASP A 51 -2.362 -9.281 -12.189 1.00 0.00 N ATOM 787 CA ASP A 51 -3.067 -8.311 -13.016 1.00 0.00 C ATOM 788 C ASP A 51 -4.077 -7.556 -12.160 1.00 0.00 C ATOM 789 O ASP A 51 -5.173 -8.048 -11.895 1.00 0.00 O ATOM 790 CB ASP A 51 -3.791 -9.024 -14.161 1.00 0.00 C ATOM 791 CG ASP A 51 -2.783 -9.566 -15.169 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.683 -9.040 -15.219 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.129 -10.493 -15.882 1.00 0.00 O ATOM 0 H ASP A 51 -2.737 -10.229 -12.230 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.348 -7.609 -13.437 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.395 -9.841 -13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.474 -8.333 -14.655 1.00 0.00 H new ATOM 798 N TYR A 52 -3.694 -6.365 -11.708 1.00 0.00 N ATOM 799 CA TYR A 52 -4.563 -5.553 -10.862 1.00 0.00 C ATOM 800 C TYR A 52 -5.855 -5.220 -11.577 1.00 0.00 C ATOM 801 O TYR A 52 -6.866 -4.919 -10.943 1.00 0.00 O ATOM 802 CB TYR A 52 -3.852 -4.249 -10.501 1.00 0.00 C ATOM 803 CG TYR A 52 -4.794 -3.332 -9.745 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.992 -3.505 -8.373 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.475 -2.313 -10.426 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.869 -2.661 -7.679 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.353 -1.469 -9.732 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.549 -1.644 -8.357 1.00 0.00 C ATOM 809 OH TYR A 52 -7.412 -0.814 -7.673 1.00 0.00 O ATOM 0 H TYR A 52 -2.789 -5.941 -11.913 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.792 -6.123 -9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.973 -4.462 -9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.500 -3.755 -11.407 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.469 -4.290 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.323 -2.178 -11.487 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.020 -2.796 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.878 -0.685 -10.257 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.124 -0.514 -8.276 1.00 0.00 H new ATOM 819 N ALA A 53 -5.817 -5.273 -12.894 1.00 0.00 N ATOM 820 CA ALA A 53 -6.995 -4.970 -13.690 1.00 0.00 C ATOM 821 C ALA A 53 -7.919 -6.180 -13.755 1.00 0.00 C ATOM 822 O ALA A 53 -9.088 -6.057 -14.122 1.00 0.00 O ATOM 823 CB ALA A 53 -6.569 -4.568 -15.100 1.00 0.00 C ATOM 0 H ALA A 53 -4.989 -5.521 -13.435 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.534 -4.145 -13.223 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.453 -4.341 -15.696 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.929 -3.687 -15.050 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.020 -5.389 -15.562 1.00 0.00 H new ATOM 829 N GLU A 54 -7.386 -7.352 -13.416 1.00 0.00 N ATOM 830 CA GLU A 54 -8.161 -8.582 -13.453 1.00 0.00 C ATOM 831 C GLU A 54 -8.918 -8.776 -12.152 1.00 0.00 C ATOM 832 O GLU A 54 -9.888 -9.532 -12.095 1.00 0.00 O ATOM 833 CB GLU A 54 -7.202 -9.756 -13.641 1.00 0.00 C ATOM 834 CG GLU A 54 -7.982 -11.049 -13.897 1.00 0.00 C ATOM 835 CD GLU A 54 -7.012 -12.204 -14.135 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.839 -12.038 -13.838 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.453 -13.235 -14.615 1.00 0.00 O ATOM 0 H GLU A 54 -6.419 -7.472 -13.113 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.876 -8.527 -14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.533 -9.556 -14.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.579 -9.870 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.624 -11.272 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.633 -10.926 -14.762 1.00 0.00 H new ATOM 844 N LEU A 55 -8.471 -8.099 -11.101 1.00 0.00 N ATOM 845 CA LEU A 55 -9.110 -8.214 -9.797 1.00 0.00 C ATOM 846 C LEU A 55 -10.321 -7.296 -9.696 1.00 0.00 C ATOM 847 O LEU A 55 -10.404 -6.276 -10.384 1.00 0.00 O ATOM 848 CB LEU A 55 -8.085 -7.857 -8.722 1.00 0.00 C ATOM 849 CG LEU A 55 -6.984 -8.936 -8.690 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.762 -8.423 -7.908 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.517 -10.226 -8.029 1.00 0.00 C ATOM 0 H LEU A 55 -7.671 -7.467 -11.126 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.461 -9.236 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.647 -6.881 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.571 -7.788 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.687 -9.158 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.991 -9.193 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.371 -7.528 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.058 -8.184 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.729 -10.979 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.832 -10.009 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.367 -10.602 -8.598 1.00 0.00 H new ATOM 863 N ASP A 56 -11.267 -7.679 -8.837 1.00 0.00 N ATOM 864 CA ASP A 56 -12.493 -6.909 -8.642 1.00 0.00 C ATOM 865 C ASP A 56 -12.696 -6.604 -7.146 1.00 0.00 C ATOM 866 O ASP A 56 -12.349 -7.424 -6.293 1.00 0.00 O ATOM 867 CB ASP A 56 -13.679 -7.725 -9.179 1.00 0.00 C ATOM 868 CG ASP A 56 -13.761 -7.609 -10.697 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.140 -8.420 -11.367 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.453 -6.723 -11.165 1.00 0.00 O ATOM 0 H ASP A 56 -11.206 -8.521 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.422 -5.963 -9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.568 -8.771 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.606 -7.369 -8.730 1.00 0.00 H new ATOM 875 N PRO A 57 -13.239 -5.450 -6.805 1.00 0.00 N ATOM 876 CA PRO A 57 -13.455 -5.067 -5.383 1.00 0.00 C ATOM 877 C PRO A 57 -14.212 -6.175 -4.658 1.00 0.00 C ATOM 878 O PRO A 57 -14.330 -6.175 -3.433 1.00 0.00 O ATOM 879 CB PRO A 57 -14.311 -3.774 -5.443 1.00 0.00 C ATOM 880 CG PRO A 57 -14.612 -3.516 -6.897 1.00 0.00 C ATOM 881 CD PRO A 57 -13.695 -4.402 -7.730 1.00 0.00 C ATOM 0 HA PRO A 57 -12.520 -4.911 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.232 -3.894 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.773 -2.934 -5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.657 -3.737 -7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.451 -2.466 -7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.225 -4.830 -8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.854 -3.835 -8.130 1.00 0.00 H new ATOM 889 N ALA A 58 -14.729 -7.111 -5.444 1.00 0.00 N ATOM 890 CA ALA A 58 -15.487 -8.229 -4.904 1.00 0.00 C ATOM 891 C ALA A 58 -14.571 -9.184 -4.152 1.00 0.00 C ATOM 892 O ALA A 58 -14.897 -9.653 -3.062 1.00 0.00 O ATOM 893 CB ALA A 58 -16.166 -8.977 -6.054 1.00 0.00 C ATOM 0 H ALA A 58 -14.636 -7.117 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.236 -7.846 -4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.736 -9.816 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.838 -8.300 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.408 -9.348 -6.744 1.00 0.00 H new ATOM 899 N LYS A 59 -13.427 -9.470 -4.764 1.00 0.00 N ATOM 900 CA LYS A 59 -12.446 -10.388 -4.189 1.00 0.00 C ATOM 901 C LYS A 59 -11.457 -9.646 -3.287 1.00 0.00 C ATOM 902 O LYS A 59 -10.258 -9.630 -3.554 1.00 0.00 O ATOM 903 CB LYS A 59 -11.679 -11.072 -5.330 1.00 0.00 C ATOM 904 CG LYS A 59 -12.634 -11.958 -6.146 1.00 0.00 C ATOM 905 CD LYS A 59 -11.925 -12.472 -7.410 1.00 0.00 C ATOM 906 CE LYS A 59 -10.942 -13.584 -7.040 1.00 0.00 C ATOM 907 NZ LYS A 59 -10.480 -14.267 -8.279 1.00 0.00 N ATOM 0 H LYS A 59 -13.153 -9.077 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.971 -11.127 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.225 -10.321 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.867 -11.675 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.970 -12.799 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.522 -11.390 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.660 -12.847 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.395 -11.654 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.090 -13.168 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.421 -14.301 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.811 -15.024 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.297 -14.677 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.008 -13.579 -8.899 1.00 0.00 H new ATOM 921 N ARG A 60 -11.965 -9.033 -2.220 1.00 0.00 N ATOM 922 CA ARG A 60 -11.112 -8.290 -1.292 1.00 0.00 C ATOM 923 C ARG A 60 -10.271 -9.222 -0.412 1.00 0.00 C ATOM 924 O ARG A 60 -9.093 -8.963 -0.177 1.00 0.00 O ATOM 925 CB ARG A 60 -11.979 -7.384 -0.415 1.00 0.00 C ATOM 926 CG ARG A 60 -12.955 -8.243 0.390 1.00 0.00 C ATOM 927 CD ARG A 60 -13.933 -7.346 1.145 1.00 0.00 C ATOM 928 NE ARG A 60 -14.883 -8.164 1.891 1.00 0.00 N ATOM 929 CZ ARG A 60 -16.038 -7.662 2.316 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.843 -7.074 1.473 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.369 -7.760 3.573 1.00 0.00 N ATOM 0 H ARG A 60 -12.956 -9.035 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.421 -7.688 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.351 -6.800 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.527 -6.675 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.500 -8.911 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.407 -8.871 1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.389 -6.693 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.465 -6.703 0.444 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.657 -9.139 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.585 -7.000 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.729 -6.689 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.741 -8.222 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.255 -7.375 3.898 1.00 0.00 H new ATOM 945 N ARG A 61 -10.876 -10.290 0.091 1.00 0.00 N ATOM 946 CA ARG A 61 -10.153 -11.213 0.962 1.00 0.00 C ATOM 947 C ARG A 61 -8.871 -11.676 0.290 1.00 0.00 C ATOM 948 O ARG A 61 -7.791 -11.664 0.888 1.00 0.00 O ATOM 949 CB ARG A 61 -11.017 -12.436 1.246 1.00 0.00 C ATOM 950 CG ARG A 61 -12.184 -12.048 2.148 1.00 0.00 C ATOM 951 CD ARG A 61 -13.045 -13.281 2.425 1.00 0.00 C ATOM 952 NE ARG A 61 -12.293 -14.249 3.219 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.829 -15.411 3.581 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.175 -16.282 2.674 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.013 -15.678 4.846 1.00 0.00 N ATOM 0 H ARG A 61 -11.850 -10.538 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.915 -10.695 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.391 -12.853 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.419 -13.212 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.811 -11.633 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.783 -11.272 1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.952 -12.990 2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.358 -13.735 1.485 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.338 -14.029 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.035 -16.072 1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.586 -17.173 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.746 -14.996 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.424 -16.569 5.125 1.00 0.00 H new ATOM 969 N HIS A 62 -9.007 -12.072 -0.963 1.00 0.00 N ATOM 970 CA HIS A 62 -7.878 -12.535 -1.743 1.00 0.00 C ATOM 971 C HIS A 62 -6.922 -11.384 -2.045 1.00 0.00 C ATOM 972 O HIS A 62 -5.718 -11.578 -2.125 1.00 0.00 O ATOM 973 CB HIS A 62 -8.389 -13.137 -3.050 1.00 0.00 C ATOM 974 CG HIS A 62 -8.995 -14.491 -2.784 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.220 -15.631 -2.633 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.298 -14.904 -2.646 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.055 -16.663 -2.417 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.332 -16.277 -2.415 1.00 0.00 N ATOM 0 H HIS A 62 -9.896 -12.081 -1.463 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.337 -13.289 -1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.132 -12.478 -3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.570 -13.228 -3.764 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.164 -14.262 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.731 -17.682 -2.264 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.156 -16.862 -2.275 1.00 0.00 H new ATOM 986 N ASN A 63 -7.478 -10.190 -2.209 1.00 0.00 N ATOM 987 CA ASN A 63 -6.671 -9.003 -2.509 1.00 0.00 C ATOM 988 C ASN A 63 -5.721 -8.705 -1.365 1.00 0.00 C ATOM 989 O ASN A 63 -4.556 -8.369 -1.581 1.00 0.00 O ATOM 990 CB ASN A 63 -7.595 -7.799 -2.725 1.00 0.00 C ATOM 991 CG ASN A 63 -6.939 -6.760 -3.632 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.686 -7.030 -4.805 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.652 -5.584 -3.156 1.00 0.00 N ATOM 0 H ASN A 63 -8.480 -10.013 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.090 -9.193 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.534 -8.132 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.838 -7.346 -1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.216 -4.883 -3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.863 -5.362 -2.183 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.219 -8.836 -0.146 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.378 -8.583 1.011 1.00 0.00 C ATOM 1002 C PHE A 64 -4.302 -9.662 1.102 1.00 0.00 C ATOM 1003 O PHE A 64 -3.111 -9.359 1.141 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.228 -8.553 2.292 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.904 -7.202 2.440 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.154 -6.083 2.840 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.273 -7.064 2.182 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.774 -4.835 2.976 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.891 -5.814 2.322 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.141 -4.702 2.717 1.00 0.00 C ATOM 0 H PHE A 64 -7.179 -9.110 0.065 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.896 -7.611 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.979 -9.342 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.598 -8.750 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.098 -6.186 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.853 -7.921 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.196 -3.975 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.948 -5.710 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.619 -3.739 2.822 1.00 0.00 H new ATOM 1020 N THR A 65 -4.729 -10.921 1.120 1.00 0.00 N ATOM 1021 CA THR A 65 -3.774 -12.021 1.206 1.00 0.00 C ATOM 1022 C THR A 65 -2.772 -11.917 0.067 1.00 0.00 C ATOM 1023 O THR A 65 -1.572 -12.108 0.258 1.00 0.00 O ATOM 1024 CB THR A 65 -4.486 -13.374 1.115 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.605 -13.387 1.988 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.512 -14.489 1.510 1.00 0.00 C ATOM 0 H THR A 65 -5.709 -11.202 1.077 1.00 0.00 H new ATOM 0 HA THR A 65 -3.264 -11.953 2.167 1.00 0.00 H new ATOM 0 HB THR A 65 -4.828 -13.535 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.367 -12.954 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.017 -15.453 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.657 -14.482 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.168 -14.327 2.532 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.286 -11.620 -1.117 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.452 -11.503 -2.302 1.00 0.00 C ATOM 1036 C LEU A 66 -1.395 -10.426 -2.125 1.00 0.00 C ATOM 1037 O LEU A 66 -0.222 -10.653 -2.410 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.346 -11.144 -3.490 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.534 -10.962 -4.775 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.977 -12.309 -5.247 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.461 -10.384 -5.846 1.00 0.00 C ATOM 0 H LEU A 66 -4.279 -11.455 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.943 -12.452 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.089 -11.928 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.891 -10.226 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.696 -10.289 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.402 -12.165 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.331 -12.727 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.801 -12.996 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.904 -10.245 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.289 -11.071 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.851 -9.423 -5.510 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.812 -9.252 -1.677 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.870 -8.169 -1.502 1.00 0.00 C ATOM 1055 C ALA A 67 0.213 -8.577 -0.525 1.00 0.00 C ATOM 1056 O ALA A 67 1.383 -8.228 -0.691 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.584 -6.931 -0.979 1.00 0.00 C ATOM 0 H ALA A 67 -2.778 -9.031 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.419 -7.941 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.864 -6.123 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.351 -6.625 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.049 -7.157 -0.020 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.183 -9.326 0.492 1.00 0.00 N ATOM 1064 CA PHE A 68 0.763 -9.776 1.497 1.00 0.00 C ATOM 1065 C PHE A 68 1.527 -11.011 1.022 1.00 0.00 C ATOM 1066 O PHE A 68 2.756 -11.023 1.038 1.00 0.00 O ATOM 1067 CB PHE A 68 0.027 -10.070 2.812 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.618 -8.798 3.354 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.169 -7.670 3.635 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.006 -8.748 3.582 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.425 -6.504 4.137 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.594 -7.581 4.085 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.805 -6.460 4.361 1.00 0.00 C ATOM 0 H PHE A 68 -1.144 -9.632 0.642 1.00 0.00 H new ATOM 0 HA PHE A 68 1.490 -8.981 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.736 -10.831 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.726 -10.473 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.235 -7.701 3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.619 -9.611 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.184 -5.638 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.659 -7.547 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.261 -5.560 4.747 1.00 0.00 H new ATOM 1083 N SER A 69 0.807 -12.038 0.592 1.00 0.00 N ATOM 1084 CA SER A 69 1.457 -13.255 0.115 1.00 0.00 C ATOM 1085 C SER A 69 2.361 -12.958 -1.076 1.00 0.00 C ATOM 1086 O SER A 69 3.386 -13.620 -1.268 1.00 0.00 O ATOM 1087 CB SER A 69 0.415 -14.301 -0.288 1.00 0.00 C ATOM 1088 OG SER A 69 1.029 -15.272 -1.126 1.00 0.00 O ATOM 0 H SER A 69 -0.212 -12.056 0.563 1.00 0.00 H new ATOM 0 HA SER A 69 2.063 -13.647 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.000 -14.779 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.414 -13.824 -0.811 1.00 0.00 H new ATOM 0 HG SER A 69 0.366 -15.946 -1.386 1.00 0.00 H new ATOM 1094 N THR A 70 2.000 -11.946 -1.863 1.00 0.00 N ATOM 1095 CA THR A 70 2.818 -11.575 -3.005 1.00 0.00 C ATOM 1096 C THR A 70 4.030 -10.770 -2.548 1.00 0.00 C ATOM 1097 O THR A 70 5.157 -11.030 -2.967 1.00 0.00 O ATOM 1098 CB THR A 70 2.013 -10.760 -4.018 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.915 -11.533 -4.483 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.913 -10.394 -5.205 1.00 0.00 C ATOM 0 H THR A 70 1.162 -11.380 -1.731 1.00 0.00 H new ATOM 0 HA THR A 70 3.154 -12.493 -3.487 1.00 0.00 H new ATOM 0 HB THR A 70 1.644 -9.851 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.126 -11.345 -3.932 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.342 -9.813 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.759 -9.804 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.279 -11.305 -5.679 1.00 0.00 H new ATOM 1108 N ALA A 71 3.790 -9.786 -1.685 1.00 0.00 N ATOM 1109 CA ALA A 71 4.872 -8.951 -1.180 1.00 0.00 C ATOM 1110 C ALA A 71 5.863 -9.777 -0.368 1.00 0.00 C ATOM 1111 O ALA A 71 7.059 -9.485 -0.354 1.00 0.00 O ATOM 1112 CB ALA A 71 4.314 -7.824 -0.310 1.00 0.00 C ATOM 0 H ALA A 71 2.865 -9.550 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 71 5.391 -8.522 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.135 -7.209 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.637 -7.208 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.772 -8.250 0.534 1.00 0.00 H new ATOM 1118 N GLU A 72 5.368 -10.808 0.311 1.00 0.00 N ATOM 1119 CA GLU A 72 6.240 -11.654 1.111 1.00 0.00 C ATOM 1120 C GLU A 72 7.109 -12.530 0.210 1.00 0.00 C ATOM 1121 O GLU A 72 8.316 -12.622 0.393 1.00 0.00 O ATOM 1122 CB GLU A 72 5.400 -12.533 2.061 1.00 0.00 C ATOM 1123 CG GLU A 72 5.417 -11.941 3.476 1.00 0.00 C ATOM 1124 CD GLU A 72 4.766 -10.562 3.476 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.429 -10.085 2.404 1.00 0.00 O ATOM 1126 OE2 GLU A 72 4.612 -10.002 4.546 1.00 0.00 O ATOM 0 H GLU A 72 4.383 -11.073 0.323 1.00 0.00 H new ATOM 0 HA GLU A 72 6.893 -11.016 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.374 -12.598 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.798 -13.548 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.886 -12.602 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.443 -11.867 3.835 1.00 0.00 H new ATOM 1133 N LYS A 73 6.494 -13.200 -0.748 1.00 0.00 N ATOM 1134 CA LYS A 73 7.260 -14.074 -1.621 1.00 0.00 C ATOM 1135 C LYS A 73 8.336 -13.278 -2.362 1.00 0.00 C ATOM 1136 O LYS A 73 9.456 -13.755 -2.544 1.00 0.00 O ATOM 1137 CB LYS A 73 6.320 -14.756 -2.628 1.00 0.00 C ATOM 1138 CG LYS A 73 7.062 -15.868 -3.397 1.00 0.00 C ATOM 1139 CD LYS A 73 6.087 -16.623 -4.316 1.00 0.00 C ATOM 1140 CE LYS A 73 6.836 -17.731 -5.065 1.00 0.00 C ATOM 1141 NZ LYS A 73 7.067 -18.881 -4.145 1.00 0.00 N ATOM 0 H LYS A 73 5.493 -13.160 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 73 7.749 -14.836 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.462 -15.179 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.933 -14.017 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.868 -15.435 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.521 -16.562 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.276 -17.052 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.634 -15.932 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.259 -18.054 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.788 -17.353 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.468 -19.678 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.731 -18.598 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.164 -19.170 -3.717 1.00 0.00 H new ATOM 1155 N LEU A 74 7.982 -12.072 -2.801 1.00 0.00 N ATOM 1156 CA LEU A 74 8.913 -11.227 -3.542 1.00 0.00 C ATOM 1157 C LEU A 74 9.924 -10.520 -2.636 1.00 0.00 C ATOM 1158 O LEU A 74 11.110 -10.483 -2.959 1.00 0.00 O ATOM 1159 CB LEU A 74 8.125 -10.176 -4.336 1.00 0.00 C ATOM 1160 CG LEU A 74 7.318 -10.848 -5.464 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.334 -9.837 -6.059 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.262 -11.357 -6.572 1.00 0.00 C ATOM 0 H LEU A 74 7.060 -11.660 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 74 9.476 -11.878 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.451 -9.637 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.810 -9.441 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 74 6.773 -11.696 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.763 -10.311 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.653 -9.491 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.885 -8.988 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.676 -11.829 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.821 -10.518 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.957 -12.084 -6.152 1.00 0.00 H new ATOM 1174 N ALA A 75 9.468 -9.925 -1.523 1.00 0.00 N ATOM 1175 CA ALA A 75 10.385 -9.190 -0.638 1.00 0.00 C ATOM 1176 C ALA A 75 10.334 -9.675 0.808 1.00 0.00 C ATOM 1177 O ALA A 75 10.955 -9.068 1.678 1.00 0.00 O ATOM 1178 CB ALA A 75 10.042 -7.699 -0.685 1.00 0.00 C ATOM 0 H ALA A 75 8.494 -9.936 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 75 11.397 -9.370 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.719 -7.149 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.148 -7.333 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.015 -7.551 -0.351 1.00 0.00 H new ATOM 1184 N ASP A 76 9.621 -10.761 1.078 1.00 0.00 N ATOM 1185 CA ASP A 76 9.560 -11.270 2.444 1.00 0.00 C ATOM 1186 C ASP A 76 9.279 -10.126 3.416 1.00 0.00 C ATOM 1187 O ASP A 76 9.805 -10.093 4.528 1.00 0.00 O ATOM 1188 CB ASP A 76 10.885 -11.938 2.786 1.00 0.00 C ATOM 1189 CG ASP A 76 11.050 -13.222 1.976 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.045 -13.764 1.546 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.181 -13.642 1.794 1.00 0.00 O ATOM 0 H ASP A 76 9.090 -11.295 0.391 1.00 0.00 H new ATOM 0 HA ASP A 76 8.754 -12.000 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.710 -11.257 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.923 -12.164 3.852 1.00 0.00 H new ATOM 1196 N CYS A 77 8.462 -9.182 2.959 1.00 0.00 N ATOM 1197 CA CYS A 77 8.101 -8.007 3.746 1.00 0.00 C ATOM 1198 C CYS A 77 7.658 -8.365 5.168 1.00 0.00 C ATOM 1199 O CYS A 77 7.844 -9.489 5.636 1.00 0.00 O ATOM 1200 CB CYS A 77 6.968 -7.261 3.033 1.00 0.00 C ATOM 1201 SG CYS A 77 7.569 -6.616 1.454 1.00 0.00 S ATOM 0 H CYS A 77 8.032 -9.209 2.034 1.00 0.00 H new ATOM 0 HA CYS A 77 8.988 -7.380 3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.125 -7.932 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.607 -6.444 3.658 1.00 0.00 H new ATOM 0 HG CYS A 77 8.556 -5.797 1.667 1.00 0.00 H new ATOM 1207 N ALA A 78 7.063 -7.379 5.839 1.00 0.00 N ATOM 1208 CA ALA A 78 6.575 -7.550 7.205 1.00 0.00 C ATOM 1209 C ALA A 78 5.174 -8.162 7.198 1.00 0.00 C ATOM 1210 O ALA A 78 4.548 -8.277 6.147 1.00 0.00 O ATOM 1211 CB ALA A 78 6.543 -6.190 7.915 1.00 0.00 C ATOM 0 H ALA A 78 6.907 -6.447 5.454 1.00 0.00 H new ATOM 0 HA ALA A 78 7.248 -8.223 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.179 -6.320 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.548 -5.769 7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.880 -5.514 7.376 1.00 0.00 H new ATOM 1217 N GLN A 79 4.692 -8.556 8.374 1.00 0.00 N ATOM 1218 CA GLN A 79 3.361 -9.155 8.504 1.00 0.00 C ATOM 1219 C GLN A 79 2.581 -8.455 9.611 1.00 0.00 C ATOM 1220 O GLN A 79 1.928 -9.102 10.429 1.00 0.00 O ATOM 1221 CB GLN A 79 3.506 -10.637 8.850 1.00 0.00 C ATOM 1222 CG GLN A 79 4.544 -10.792 9.962 1.00 0.00 C ATOM 1223 CD GLN A 79 4.604 -12.242 10.431 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.581 -12.929 10.457 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.745 -12.751 10.803 1.00 0.00 N ATOM 0 H GLN A 79 5.202 -8.472 9.253 1.00 0.00 H new ATOM 0 HA GLN A 79 2.825 -9.044 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.547 -11.044 9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.812 -11.201 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.524 -10.479 9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.290 -10.142 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.590 -12.180 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.793 -13.720 11.117 1.00 0.00 H new ATOM 1234 N LEU A 80 2.674 -7.129 9.643 1.00 0.00 N ATOM 1235 CA LEU A 80 1.998 -6.345 10.670 1.00 0.00 C ATOM 1236 C LEU A 80 0.473 -6.421 10.524 1.00 0.00 C ATOM 1237 O LEU A 80 -0.254 -6.242 11.502 1.00 0.00 O ATOM 1238 CB LEU A 80 2.416 -4.869 10.584 1.00 0.00 C ATOM 1239 CG LEU A 80 3.930 -4.732 10.407 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.293 -3.251 10.445 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.672 -5.458 11.525 1.00 0.00 C ATOM 0 H LEU A 80 3.209 -6.577 8.972 1.00 0.00 H new ATOM 0 HA LEU A 80 2.289 -6.765 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.905 -4.392 9.748 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.104 -4.347 11.488 1.00 0.00 H new ATOM 0 HG LEU A 80 4.219 -5.175 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.370 -3.137 10.320 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.777 -2.729 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.992 -2.827 11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.747 -5.348 11.380 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.390 -5.030 12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.410 -6.516 11.508 1.00 0.00 H new ATOM 1253 N LEU A 81 -0.014 -6.663 9.300 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.473 -6.727 9.048 1.00 0.00 C ATOM 1255 C LEU A 81 -1.934 -8.140 8.684 1.00 0.00 C ATOM 1256 O LEU A 81 -1.252 -8.868 7.964 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.866 -5.784 7.891 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.995 -4.529 7.909 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.336 -3.648 6.705 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.267 -3.748 9.187 1.00 0.00 C ATOM 0 H LEU A 81 0.565 -6.817 8.475 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.959 -6.422 9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.752 -6.300 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.916 -5.507 7.980 1.00 0.00 H new ATOM 0 HG LEU A 81 0.055 -4.818 7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.713 -2.754 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.152 -4.202 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.386 -3.360 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.647 -2.851 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.319 -3.463 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.030 -4.369 10.051 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.120 -8.496 9.180 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.719 -9.802 8.911 1.00 0.00 C ATOM 1274 C GLU A 82 -4.992 -9.642 8.085 1.00 0.00 C ATOM 1275 O GLU A 82 -5.876 -8.856 8.420 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.040 -10.504 10.228 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.730 -10.857 10.933 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.021 -11.492 12.289 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.187 -11.669 12.601 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.072 -11.797 12.992 1.00 0.00 O ATOM 0 H GLU A 82 -3.688 -7.892 9.775 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.008 -10.405 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.647 -9.857 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.623 -11.406 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.150 -11.545 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.125 -9.960 11.065 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.069 -10.391 6.998 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.216 -10.339 6.101 1.00 0.00 C ATOM 1289 C VAL A 83 -7.532 -10.340 6.877 1.00 0.00 C ATOM 1290 O VAL A 83 -8.397 -9.489 6.660 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.157 -11.573 5.196 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.403 -11.636 4.299 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.865 -11.535 4.352 1.00 0.00 C ATOM 0 H VAL A 83 -4.344 -11.049 6.712 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.177 -9.418 5.519 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.143 -12.473 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.348 -12.518 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.296 -11.693 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.450 -10.741 3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.825 -12.414 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.858 -10.635 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.998 -11.529 5.013 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.685 -11.315 7.753 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.907 -11.445 8.532 1.00 0.00 C ATOM 1305 C ASP A 84 -9.241 -10.153 9.268 1.00 0.00 C ATOM 1306 O ASP A 84 -10.382 -9.691 9.238 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.746 -12.577 9.547 1.00 0.00 C ATOM 1308 CG ASP A 84 -10.086 -12.882 10.203 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -11.019 -13.196 9.482 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -10.161 -12.793 11.417 1.00 0.00 O ATOM 0 H ASP A 84 -6.982 -12.028 7.945 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.723 -11.666 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.363 -13.469 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.016 -12.295 10.306 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.247 -9.574 9.926 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.463 -8.341 10.667 1.00 0.00 C ATOM 1317 C ASP A 85 -8.851 -7.220 9.715 1.00 0.00 C ATOM 1318 O ASP A 85 -9.749 -6.434 9.997 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.178 -7.967 11.421 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.225 -7.181 10.516 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -6.597 -6.094 10.102 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.148 -7.672 10.249 1.00 0.00 O ATOM 0 H ASP A 85 -7.293 -9.934 9.962 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.273 -8.488 11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.427 -7.371 12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.685 -8.871 11.778 1.00 0.00 H new ATOM 1327 N MET A 86 -8.159 -7.158 8.582 1.00 0.00 N ATOM 1328 CA MET A 86 -8.443 -6.134 7.594 1.00 0.00 C ATOM 1329 C MET A 86 -9.861 -6.297 7.080 1.00 0.00 C ATOM 1330 O MET A 86 -10.626 -5.338 6.985 1.00 0.00 O ATOM 1331 CB MET A 86 -7.465 -6.274 6.423 1.00 0.00 C ATOM 1332 CG MET A 86 -6.024 -6.002 6.881 1.00 0.00 C ATOM 1333 SD MET A 86 -5.114 -5.190 5.542 1.00 0.00 S ATOM 1334 CE MET A 86 -5.386 -3.488 6.087 1.00 0.00 C ATOM 0 H MET A 86 -7.406 -7.799 8.331 1.00 0.00 H new ATOM 0 HA MET A 86 -8.334 -5.151 8.053 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.535 -7.277 6.003 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.737 -5.577 5.630 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.026 -5.371 7.770 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.534 -6.937 7.154 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.194 -2.806 5.259 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.418 -3.373 6.420 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.711 -3.258 6.911 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.197 -7.536 6.770 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.519 -7.872 6.275 1.00 0.00 C ATOM 1346 C VAL A 87 -12.573 -7.691 7.362 1.00 0.00 C ATOM 1347 O VAL A 87 -13.664 -7.183 7.101 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.518 -9.320 5.780 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.945 -9.752 5.420 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.611 -9.429 4.546 1.00 0.00 C ATOM 0 H VAL A 87 -9.566 -8.333 6.854 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.767 -7.201 5.453 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.143 -9.974 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.935 -10.784 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.582 -9.675 6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.334 -9.105 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.606 -10.459 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.986 -8.773 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.597 -9.132 4.813 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.248 -8.118 8.579 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.171 -8.011 9.693 1.00 0.00 C ATOM 1362 C ARG A 88 -13.346 -6.570 10.150 1.00 0.00 C ATOM 1363 O ARG A 88 -14.467 -6.104 10.351 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.628 -8.862 10.849 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.477 -8.643 12.096 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.110 -9.667 13.169 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.487 -11.006 12.735 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.141 -12.080 13.436 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -13.268 -12.083 14.736 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -12.670 -13.132 12.825 1.00 0.00 N ATOM 0 H ARG A 88 -11.350 -8.541 8.814 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.150 -8.368 9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.638 -9.916 10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.591 -8.595 11.053 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.322 -7.634 12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.534 -8.731 11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.039 -9.629 13.367 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.616 -9.423 14.103 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.027 -11.121 11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.633 -11.260 15.215 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.002 -12.909 15.273 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.568 -13.129 11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.404 -13.957 13.362 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.233 -5.875 10.328 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.288 -4.496 10.782 1.00 0.00 C ATOM 1386 C LEU A 89 -12.948 -3.618 9.726 1.00 0.00 C ATOM 1387 O LEU A 89 -13.841 -2.824 10.028 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.862 -3.988 11.044 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.239 -4.726 12.245 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.723 -4.482 12.261 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.844 -4.212 13.564 1.00 0.00 C ATOM 0 H LEU A 89 -11.293 -6.238 10.167 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.874 -4.450 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.247 -4.140 10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.881 -2.916 11.239 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.447 -5.792 12.149 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.280 -5.003 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.284 -4.856 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.527 -3.413 12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.393 -4.743 14.402 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.647 -3.144 13.663 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.920 -4.384 13.562 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.461 -3.738 8.499 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.964 -2.916 7.408 1.00 0.00 C ATOM 1405 C ALA A 90 -12.647 -1.466 7.748 1.00 0.00 C ATOM 1406 O ALA A 90 -13.300 -0.534 7.283 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.478 -3.110 7.235 1.00 0.00 C ATOM 0 H ALA A 90 -11.724 -4.392 8.235 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.492 -3.202 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.833 -2.487 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.688 -4.156 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.989 -2.825 8.155 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.610 -1.321 8.576 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.128 -0.023 9.042 1.00 0.00 C ATOM 1415 C VAL A 91 -9.715 -0.177 9.623 1.00 0.00 C ATOM 1416 O VAL A 91 -9.565 -0.412 10.820 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.063 0.521 10.142 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.442 1.773 10.784 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.429 0.885 9.540 1.00 0.00 C ATOM 0 H VAL A 91 -11.078 -2.110 8.944 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.111 0.670 8.201 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.196 -0.250 10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.107 2.152 11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.479 1.516 11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.299 2.540 10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.082 1.268 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.297 1.648 8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.879 -0.003 9.095 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.681 -0.051 8.823 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.282 -0.173 9.319 1.00 0.00 C ATOM 1431 C PRO A 92 -6.873 1.049 10.135 1.00 0.00 C ATOM 1432 O PRO A 92 -7.685 1.938 10.392 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.416 -0.326 8.046 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.366 -0.307 6.879 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.715 0.217 7.382 1.00 0.00 C ATOM 0 HA PRO A 92 -7.161 -1.022 9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.691 0.485 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.851 -1.258 8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.981 0.331 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.477 -1.307 6.460 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.833 1.281 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.548 -0.295 6.900 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.605 1.087 10.525 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.076 2.206 11.304 1.00 0.00 C ATOM 1445 C ASP A 93 -3.901 2.850 10.575 1.00 0.00 C ATOM 1446 O ASP A 93 -2.980 2.171 10.129 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.646 1.728 12.690 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.377 2.928 13.589 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.802 4.016 13.236 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -3.750 2.743 14.619 1.00 0.00 O ATOM 0 H ASP A 93 -4.922 0.358 10.316 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.861 2.953 11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.424 1.102 13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.750 1.113 12.611 1.00 0.00 H new ATOM 1455 N SER A 94 -3.963 4.165 10.435 1.00 0.00 N ATOM 1456 CA SER A 94 -2.923 4.910 9.734 1.00 0.00 C ATOM 1457 C SER A 94 -1.541 4.527 10.240 1.00 0.00 C ATOM 1458 O SER A 94 -0.566 4.553 9.492 1.00 0.00 O ATOM 1459 CB SER A 94 -3.138 6.410 9.931 1.00 0.00 C ATOM 1460 OG SER A 94 -2.164 7.127 9.186 1.00 0.00 O ATOM 0 H SER A 94 -4.723 4.741 10.797 1.00 0.00 H new ATOM 0 HA SER A 94 -2.985 4.664 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.140 6.691 9.606 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.063 6.664 10.988 1.00 0.00 H new ATOM 0 HG SER A 94 -2.476 7.241 8.264 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.469 4.159 11.506 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.205 3.757 12.096 1.00 0.00 C ATOM 1468 C LYS A 95 0.222 2.397 11.568 1.00 0.00 C ATOM 1469 O LYS A 95 1.400 2.166 11.297 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.337 3.689 13.615 1.00 0.00 C ATOM 1471 CG LYS A 95 1.035 3.430 14.248 1.00 0.00 C ATOM 1472 CD LYS A 95 0.901 3.438 15.776 1.00 0.00 C ATOM 1473 CE LYS A 95 2.280 3.270 16.422 1.00 0.00 C ATOM 1474 NZ LYS A 95 2.900 2.002 15.950 1.00 0.00 N ATOM 0 H LYS A 95 -2.266 4.130 12.142 1.00 0.00 H new ATOM 0 HA LYS A 95 0.550 4.496 11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.752 4.623 13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.031 2.896 13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.428 2.471 13.911 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.744 4.194 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.447 4.373 16.105 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.240 2.633 16.096 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.918 4.116 16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.185 3.258 17.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.671 1.732 16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.182 1.250 15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.281 2.138 14.992 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.744 1.491 11.433 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.448 0.153 10.955 1.00 0.00 C ATOM 1490 C CYS A 96 0.022 0.193 9.505 1.00 0.00 C ATOM 1491 O CYS A 96 1.017 -0.432 9.140 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.695 -0.740 11.076 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.805 -0.453 9.670 1.00 0.00 S ATOM 0 H CYS A 96 -1.727 1.661 11.647 1.00 0.00 H new ATOM 0 HA CYS A 96 0.351 -0.263 11.569 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.399 -1.789 11.108 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.215 -0.527 12.010 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.122 0.807 9.617 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.714 0.935 8.684 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.381 1.067 7.279 1.00 0.00 C ATOM 1501 C VAL A 97 0.934 1.801 7.163 1.00 0.00 C ATOM 1502 O VAL A 97 1.815 1.414 6.404 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.463 1.871 6.556 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.096 2.018 5.078 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.813 1.162 6.689 1.00 0.00 C ATOM 0 H VAL A 97 -1.544 1.452 8.972 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.310 0.077 6.828 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.535 2.861 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.869 2.591 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.141 2.537 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.016 1.031 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.580 1.739 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.747 0.168 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.075 1.073 7.743 1.00 0.00 H new ATOM 1515 N TYR A 98 1.061 2.867 7.940 1.00 0.00 N ATOM 1516 CA TYR A 98 2.272 3.657 7.923 1.00 0.00 C ATOM 1517 C TYR A 98 3.464 2.787 8.273 1.00 0.00 C ATOM 1518 O TYR A 98 4.467 2.776 7.561 1.00 0.00 O ATOM 1519 CB TYR A 98 2.147 4.789 8.954 1.00 0.00 C ATOM 1520 CG TYR A 98 3.467 5.510 9.086 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.493 4.947 9.854 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.666 6.731 8.438 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.721 5.605 9.971 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.896 7.391 8.560 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.922 6.827 9.324 1.00 0.00 C ATOM 1526 OH TYR A 98 7.136 7.473 9.436 1.00 0.00 O ATOM 0 H TYR A 98 0.343 3.199 8.584 1.00 0.00 H new ATOM 0 HA TYR A 98 2.417 4.075 6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.369 5.488 8.647 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.846 4.382 9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.336 4.004 10.356 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.875 7.165 7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.514 5.169 10.561 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.052 8.337 8.063 1.00 0.00 H new ATOM 0 HH TYR A 98 7.110 8.309 8.925 1.00 0.00 H new ATOM 1536 N THR A 99 3.350 2.062 9.375 1.00 0.00 N ATOM 1537 CA THR A 99 4.433 1.204 9.813 1.00 0.00 C ATOM 1538 C THR A 99 4.771 0.199 8.727 1.00 0.00 C ATOM 1539 O THR A 99 5.944 -0.054 8.449 1.00 0.00 O ATOM 1540 CB THR A 99 4.040 0.464 11.095 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.507 1.390 12.033 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.274 -0.218 11.691 1.00 0.00 C ATOM 0 H THR A 99 2.526 2.052 9.976 1.00 0.00 H new ATOM 0 HA THR A 99 5.307 1.823 10.015 1.00 0.00 H new ATOM 0 HB THR A 99 3.287 -0.290 10.863 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.536 1.452 11.915 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.994 -0.744 12.603 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.680 -0.929 10.972 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.029 0.534 11.923 1.00 0.00 H new ATOM 1550 N TYR A 100 3.743 -0.370 8.105 1.00 0.00 N ATOM 1551 CA TYR A 100 3.939 -1.345 7.046 1.00 0.00 C ATOM 1552 C TYR A 100 4.707 -0.720 5.889 1.00 0.00 C ATOM 1553 O TYR A 100 5.706 -1.263 5.414 1.00 0.00 O ATOM 1554 CB TYR A 100 2.573 -1.786 6.535 1.00 0.00 C ATOM 1555 CG TYR A 100 2.741 -2.986 5.643 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.121 -2.816 4.310 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.509 -4.268 6.149 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.270 -3.934 3.478 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.659 -5.386 5.322 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.039 -5.220 3.985 1.00 0.00 C ATOM 1561 OH TYR A 100 3.186 -6.320 3.166 1.00 0.00 O ATOM 0 H TYR A 100 2.766 -0.170 8.319 1.00 0.00 H new ATOM 0 HA TYR A 100 4.503 -2.192 7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.920 -2.030 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.098 -0.973 5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.300 -1.825 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.214 -4.396 7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.563 -3.805 2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.482 -6.376 5.715 1.00 0.00 H new ATOM 0 HH TYR A 100 3.227 -7.132 3.713 1.00 0.00 H new ATOM 1571 N ILE A 101 4.217 0.434 5.452 1.00 0.00 N ATOM 1572 CA ILE A 101 4.831 1.167 4.357 1.00 0.00 C ATOM 1573 C ILE A 101 6.248 1.561 4.753 1.00 0.00 C ATOM 1574 O ILE A 101 7.181 1.472 3.955 1.00 0.00 O ATOM 1575 CB ILE A 101 4.000 2.420 4.034 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.630 2.020 3.438 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.753 3.326 3.053 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.788 1.211 2.138 1.00 0.00 C ATOM 0 H ILE A 101 3.390 0.883 5.844 1.00 0.00 H new ATOM 0 HA ILE A 101 4.867 0.537 3.468 1.00 0.00 H new ATOM 0 HB ILE A 101 3.834 2.969 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.074 1.431 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.044 2.917 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.150 4.208 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.700 3.634 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.945 2.781 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.803 0.949 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.321 1.810 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.352 0.301 2.342 1.00 0.00 H new ATOM 1590 N GLN A 102 6.390 1.995 5.999 1.00 0.00 N ATOM 1591 CA GLN A 102 7.686 2.402 6.527 1.00 0.00 C ATOM 1592 C GLN A 102 8.741 1.343 6.253 1.00 0.00 C ATOM 1593 O GLN A 102 9.721 1.584 5.547 1.00 0.00 O ATOM 1594 CB GLN A 102 7.585 2.602 8.039 1.00 0.00 C ATOM 1595 CG GLN A 102 8.790 3.409 8.529 1.00 0.00 C ATOM 1596 CD GLN A 102 8.806 3.467 10.053 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.781 4.551 10.632 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.844 2.357 10.739 1.00 0.00 N ATOM 0 H GLN A 102 5.621 2.074 6.665 1.00 0.00 H new ATOM 0 HA GLN A 102 7.973 3.332 6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.660 3.123 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.552 1.636 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.712 2.955 8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.750 4.419 8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.865 1.459 10.255 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.853 2.388 11.759 1.00 0.00 H new ATOM 1607 N GLU A 103 8.543 0.172 6.844 1.00 0.00 N ATOM 1608 CA GLU A 103 9.499 -0.909 6.678 1.00 0.00 C ATOM 1609 C GLU A 103 9.648 -1.246 5.203 1.00 0.00 C ATOM 1610 O GLU A 103 10.759 -1.416 4.700 1.00 0.00 O ATOM 1611 CB GLU A 103 9.029 -2.137 7.459 1.00 0.00 C ATOM 1612 CG GLU A 103 9.146 -1.869 8.962 1.00 0.00 C ATOM 1613 CD GLU A 103 8.582 -3.048 9.749 1.00 0.00 C ATOM 1614 OE1 GLU A 103 8.114 -3.980 9.123 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.630 -3.001 10.967 1.00 0.00 O ATOM 0 H GLU A 103 7.741 -0.050 7.434 1.00 0.00 H new ATOM 0 HA GLU A 103 10.469 -0.595 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.996 -2.371 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.630 -3.005 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.190 -1.708 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.607 -0.958 9.220 1.00 0.00 H new ATOM 1622 N LEU A 104 8.521 -1.335 4.520 1.00 0.00 N ATOM 1623 CA LEU A 104 8.514 -1.654 3.101 1.00 0.00 C ATOM 1624 C LEU A 104 9.300 -0.617 2.313 1.00 0.00 C ATOM 1625 O LEU A 104 10.123 -0.955 1.466 1.00 0.00 O ATOM 1626 CB LEU A 104 7.067 -1.630 2.624 1.00 0.00 C ATOM 1627 CG LEU A 104 6.956 -1.999 1.137 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.279 -3.483 0.931 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.529 -1.713 0.661 1.00 0.00 C ATOM 0 H LEU A 104 7.596 -1.191 4.925 1.00 0.00 H new ATOM 0 HA LEU A 104 8.971 -2.632 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.476 -2.327 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.646 -0.638 2.786 1.00 0.00 H new ATOM 0 HG LEU A 104 7.668 -1.405 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.196 -3.730 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.294 -3.685 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.577 -4.091 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.439 -1.971 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.825 -2.309 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.306 -0.655 0.796 1.00 0.00 H new ATOM 1641 N TYR A 105 9.038 0.649 2.602 1.00 0.00 N ATOM 1642 CA TYR A 105 9.712 1.739 1.914 1.00 0.00 C ATOM 1643 C TYR A 105 11.208 1.524 1.970 1.00 0.00 C ATOM 1644 O TYR A 105 11.922 1.687 0.978 1.00 0.00 O ATOM 1645 CB TYR A 105 9.372 3.047 2.622 1.00 0.00 C ATOM 1646 CG TYR A 105 9.956 4.212 1.866 1.00 0.00 C ATOM 1647 CD1 TYR A 105 11.268 4.627 2.122 1.00 0.00 C ATOM 1648 CD2 TYR A 105 9.182 4.881 0.912 1.00 0.00 C ATOM 1649 CE1 TYR A 105 11.806 5.714 1.422 1.00 0.00 C ATOM 1650 CE2 TYR A 105 9.719 5.965 0.214 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.031 6.383 0.468 1.00 0.00 C ATOM 1652 OH TYR A 105 11.558 7.453 -0.222 1.00 0.00 O ATOM 0 H TYR A 105 8.364 0.946 3.308 1.00 0.00 H new ATOM 0 HA TYR A 105 9.388 1.776 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.290 3.158 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.763 3.031 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 105 11.865 4.109 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.170 4.560 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 105 12.818 6.036 1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.122 6.482 -0.523 1.00 0.00 H new ATOM 0 HH TYR A 105 10.888 7.801 -0.847 1.00 0.00 H new ATOM 1662 N ARG A 106 11.671 1.192 3.154 1.00 0.00 N ATOM 1663 CA ARG A 106 13.086 0.983 3.374 1.00 0.00 C ATOM 1664 C ARG A 106 13.609 -0.168 2.527 1.00 0.00 C ATOM 1665 O ARG A 106 14.678 -0.061 1.927 1.00 0.00 O ATOM 1666 CB ARG A 106 13.306 0.717 4.860 1.00 0.00 C ATOM 1667 CG ARG A 106 13.033 2.016 5.623 1.00 0.00 C ATOM 1668 CD ARG A 106 13.120 1.766 7.124 1.00 0.00 C ATOM 1669 NE ARG A 106 14.466 1.348 7.486 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.743 0.929 8.712 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.771 1.781 9.700 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.983 -0.335 8.931 1.00 0.00 N ATOM 0 H ARG A 106 11.088 1.061 3.981 1.00 0.00 H new ATOM 0 HA ARG A 106 13.640 1.872 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.642 -0.075 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.326 0.378 5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.755 2.778 5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.045 2.398 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.854 2.673 7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.402 0.999 7.415 1.00 0.00 H new ATOM 0 HE ARG A 106 15.207 1.378 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.580 2.768 9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.984 1.460 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.957 -1.000 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.196 -0.658 9.875 1.00 0.00 H new ATOM 1686 N SER A 107 12.852 -1.256 2.449 1.00 0.00 N ATOM 1687 CA SER A 107 13.283 -2.389 1.640 1.00 0.00 C ATOM 1688 C SER A 107 13.447 -1.957 0.181 1.00 0.00 C ATOM 1689 O SER A 107 14.406 -2.350 -0.485 1.00 0.00 O ATOM 1690 CB SER A 107 12.266 -3.529 1.732 1.00 0.00 C ATOM 1691 OG SER A 107 11.027 -3.100 1.186 1.00 0.00 O ATOM 0 H SER A 107 11.957 -1.377 2.924 1.00 0.00 H new ATOM 0 HA SER A 107 14.241 -2.743 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.632 -4.402 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.133 -3.830 2.771 1.00 0.00 H new ATOM 0 HG SER A 107 10.871 -2.163 1.426 1.00 0.00 H new ATOM 1697 N LEU A 108 12.510 -1.143 -0.307 1.00 0.00 N ATOM 1698 CA LEU A 108 12.555 -0.664 -1.686 1.00 0.00 C ATOM 1699 C LEU A 108 13.816 0.157 -1.930 1.00 0.00 C ATOM 1700 O LEU A 108 14.434 0.060 -2.989 1.00 0.00 O ATOM 1701 CB LEU A 108 11.354 0.237 -1.981 1.00 0.00 C ATOM 1702 CG LEU A 108 10.035 -0.532 -1.824 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.865 0.452 -1.947 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.910 -1.606 -2.914 1.00 0.00 C ATOM 0 H LEU A 108 11.713 -0.803 0.232 1.00 0.00 H new ATOM 0 HA LEU A 108 12.542 -1.540 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.363 1.092 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.431 0.630 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 108 10.018 -1.017 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.924 -0.086 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.943 1.210 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.895 0.933 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.970 -2.143 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.930 -1.132 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.741 -2.306 -2.832 1.00 0.00 H new ATOM 1716 N VAL A 109 14.179 0.983 -0.955 1.00 0.00 N ATOM 1717 CA VAL A 109 15.351 1.829 -1.092 1.00 0.00 C ATOM 1718 C VAL A 109 16.605 0.983 -1.256 1.00 0.00 C ATOM 1719 O VAL A 109 17.434 1.253 -2.126 1.00 0.00 O ATOM 1720 CB VAL A 109 15.474 2.739 0.134 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.818 3.471 0.112 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.339 3.766 0.109 1.00 0.00 C ATOM 0 H VAL A 109 13.682 1.082 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 109 15.241 2.446 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 109 15.413 2.135 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.896 4.115 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.629 2.743 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.888 4.077 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.419 4.418 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.409 4.363 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.380 3.249 0.131 1.00 0.00 H new ATOM 1732 N GLN A 110 16.738 -0.046 -0.428 1.00 0.00 N ATOM 1733 CA GLN A 110 17.901 -0.914 -0.521 1.00 0.00 C ATOM 1734 C GLN A 110 17.919 -1.584 -1.885 1.00 0.00 C ATOM 1735 O GLN A 110 18.927 -1.564 -2.591 1.00 0.00 O ATOM 1736 CB GLN A 110 17.861 -1.990 0.578 1.00 0.00 C ATOM 1737 CG GLN A 110 17.346 -1.391 1.911 1.00 0.00 C ATOM 1738 CD GLN A 110 18.141 -1.937 3.099 1.00 0.00 C ATOM 1739 OE1 GLN A 110 18.112 -3.138 3.370 1.00 0.00 O ATOM 1740 NE2 GLN A 110 18.852 -1.118 3.827 1.00 0.00 N ATOM 0 H GLN A 110 16.069 -0.295 0.301 1.00 0.00 H new ATOM 0 HA GLN A 110 18.801 -0.313 -0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.214 -2.810 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.858 -2.407 0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.428 -0.305 1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.289 -1.627 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.875 -0.124 3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.384 -1.473 4.621 1.00 0.00 H new ATOM 1749 N LYS A 111 16.790 -2.179 -2.240 1.00 0.00 N ATOM 1750 CA LYS A 111 16.669 -2.870 -3.520 1.00 0.00 C ATOM 1751 C LYS A 111 16.932 -1.902 -4.672 1.00 0.00 C ATOM 1752 O LYS A 111 17.319 -2.315 -5.764 1.00 0.00 O ATOM 1753 CB LYS A 111 15.270 -3.504 -3.660 1.00 0.00 C ATOM 1754 CG LYS A 111 15.288 -4.627 -4.722 1.00 0.00 C ATOM 1755 CD LYS A 111 14.186 -5.652 -4.418 1.00 0.00 C ATOM 1756 CE LYS A 111 14.044 -6.623 -5.595 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.325 -7.359 -5.799 1.00 0.00 N ATOM 0 H LYS A 111 15.948 -2.199 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 111 17.414 -3.665 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.950 -3.909 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.545 -2.741 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.138 -4.203 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.261 -5.118 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.428 -6.201 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.240 -5.141 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.236 -7.328 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.780 -6.076 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.162 -8.172 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.026 -6.723 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.681 -7.696 -4.882 1.00 0.00 H new ATOM 1771 N GLY A 112 16.706 -0.614 -4.422 1.00 0.00 N ATOM 1772 CA GLY A 112 16.916 0.406 -5.449 1.00 0.00 C ATOM 1773 C GLY A 112 15.678 0.525 -6.318 1.00 0.00 C ATOM 1774 O GLY A 112 15.723 1.035 -7.439 1.00 0.00 O ATOM 0 H GLY A 112 16.380 -0.253 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.137 1.366 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.778 0.145 -6.063 1.00 0.00 H new ATOM 1778 N LEU A 113 14.573 0.054 -5.760 1.00 0.00 N ATOM 1779 CA LEU A 113 13.281 0.100 -6.425 1.00 0.00 C ATOM 1780 C LEU A 113 12.714 1.523 -6.431 1.00 0.00 C ATOM 1781 O LEU A 113 12.152 1.977 -7.427 1.00 0.00 O ATOM 1782 CB LEU A 113 12.321 -0.848 -5.690 1.00 0.00 C ATOM 1783 CG LEU A 113 12.484 -2.289 -6.202 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.629 -3.224 -5.339 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.034 -2.390 -7.679 1.00 0.00 C ATOM 0 H LEU A 113 14.547 -0.371 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 113 13.399 -0.212 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.517 -0.813 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.293 -0.518 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 113 13.533 -2.577 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.738 -4.249 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.957 -3.163 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.583 -2.926 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.155 -3.416 -8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.986 -2.101 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.643 -1.725 -8.291 1.00 0.00 H new ATOM 1797 N VAL A 114 12.849 2.205 -5.300 1.00 0.00 N ATOM 1798 CA VAL A 114 12.337 3.567 -5.168 1.00 0.00 C ATOM 1799 C VAL A 114 13.082 4.537 -6.087 1.00 0.00 C ATOM 1800 O VAL A 114 12.488 5.467 -6.634 1.00 0.00 O ATOM 1801 CB VAL A 114 12.403 4.011 -3.682 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.617 5.530 -3.564 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.086 3.633 -2.964 1.00 0.00 C ATOM 0 H VAL A 114 13.306 1.841 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 114 11.294 3.581 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 114 13.246 3.501 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.659 5.811 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.553 5.804 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.791 6.052 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.137 3.947 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.249 4.132 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.943 2.554 -3.012 1.00 0.00 H new ATOM 1813 N LYS A 115 14.377 4.320 -6.250 1.00 0.00 N ATOM 1814 CA LYS A 115 15.197 5.184 -7.105 1.00 0.00 C ATOM 1815 C LYS A 115 15.212 4.658 -8.538 1.00 0.00 C ATOM 1816 O LYS A 115 16.271 4.356 -9.090 1.00 0.00 O ATOM 1817 CB LYS A 115 16.628 5.247 -6.554 1.00 0.00 C ATOM 1818 CG LYS A 115 16.695 6.267 -5.406 1.00 0.00 C ATOM 1819 CD LYS A 115 18.079 6.219 -4.731 1.00 0.00 C ATOM 1820 CE LYS A 115 18.096 5.155 -3.623 1.00 0.00 C ATOM 1821 NZ LYS A 115 17.199 5.578 -2.511 1.00 0.00 N ATOM 0 H LYS A 115 14.888 3.557 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 115 14.767 6.186 -7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.935 4.263 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.321 5.530 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.504 7.269 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.917 6.052 -4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.845 5.993 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.320 7.195 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.770 4.195 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.112 5.017 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.728 5.567 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.848 6.540 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.394 4.923 -2.446 1.00 0.00 H new ATOM 1835 N THR A 116 14.025 4.545 -9.131 1.00 0.00 N ATOM 1836 CA THR A 116 13.899 4.046 -10.503 1.00 0.00 C ATOM 1837 C THR A 116 13.870 5.191 -11.506 1.00 0.00 C ATOM 1838 O THR A 116 14.409 5.081 -12.607 1.00 0.00 O ATOM 1839 CB THR A 116 12.623 3.211 -10.638 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.505 2.748 -11.977 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.403 4.063 -10.283 1.00 0.00 C ATOM 0 H THR A 116 13.140 4.790 -8.687 1.00 0.00 H new ATOM 0 HA THR A 116 14.769 3.425 -10.718 1.00 0.00 H new ATOM 0 HB THR A 116 12.674 2.361 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.690 2.212 -12.067 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.499 3.462 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.493 4.418 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.347 4.917 -10.958 1.00 0.00 H new ATOM 1849 N LYS A 117 13.220 6.280 -11.127 1.00 0.00 N ATOM 1850 CA LYS A 117 13.109 7.448 -11.994 1.00 0.00 C ATOM 1851 C LYS A 117 13.117 8.740 -11.181 1.00 0.00 C ATOM 1852 O LYS A 117 12.467 8.833 -10.143 1.00 0.00 O ATOM 1853 CB LYS A 117 11.823 7.361 -12.812 1.00 0.00 C ATOM 1854 CG LYS A 117 11.610 8.671 -13.571 1.00 0.00 C ATOM 1855 CD LYS A 117 10.570 8.459 -14.674 1.00 0.00 C ATOM 1856 CE LYS A 117 9.221 8.107 -14.044 1.00 0.00 C ATOM 1857 NZ LYS A 117 8.938 9.041 -12.918 1.00 0.00 N ATOM 0 H LYS A 117 12.759 6.382 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 117 13.970 7.461 -12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.881 6.528 -13.513 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.975 7.167 -12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.276 9.450 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.551 9.010 -14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.477 9.361 -15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.891 7.660 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.431 8.172 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.234 7.079 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.911 9.103 -12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.394 8.689 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.312 9.984 -13.147 1.00 0.00 H new ATOM 1871 N LYS A 118 13.832 9.749 -11.677 1.00 0.00 N ATOM 1872 CA LYS A 118 13.897 11.039 -10.995 1.00 0.00 C ATOM 1873 C LYS A 118 13.922 12.173 -12.011 1.00 0.00 C ATOM 1874 O LYS A 118 14.449 12.018 -13.111 1.00 0.00 O ATOM 1875 CB LYS A 118 15.136 11.090 -10.098 1.00 0.00 C ATOM 1876 CG LYS A 118 16.386 10.700 -10.896 1.00 0.00 C ATOM 1877 CD LYS A 118 17.592 10.616 -9.946 1.00 0.00 C ATOM 1878 CE LYS A 118 18.809 10.068 -10.695 1.00 0.00 C ATOM 1879 NZ LYS A 118 19.961 9.953 -9.753 1.00 0.00 N ATOM 0 H LYS A 118 14.370 9.698 -12.542 1.00 0.00 H new ATOM 0 HA LYS A 118 13.010 11.158 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 118 15.256 12.093 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.010 10.413 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.231 9.741 -11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 118 16.576 11.435 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.817 11.603 -9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.355 9.972 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.577 9.093 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 118 19.067 10.728 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 20.789 9.581 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.186 10.891 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.712 9.307 -8.977 1.00 0.00 H new ATOM 1893 N LYS A 119 13.342 13.317 -11.647 1.00 0.00 N ATOM 1894 CA LYS A 119 13.305 14.470 -12.550 1.00 0.00 C ATOM 1895 C LYS A 119 14.292 15.536 -12.086 1.00 0.00 C ATOM 1896 O LYS A 119 14.424 15.713 -10.886 1.00 0.00 O ATOM 1897 CB LYS A 119 11.896 15.062 -12.584 1.00 0.00 C ATOM 1898 CG LYS A 119 10.924 14.062 -13.220 1.00 0.00 C ATOM 1899 CD LYS A 119 9.496 14.611 -13.124 1.00 0.00 C ATOM 1900 CE LYS A 119 9.291 15.721 -14.159 1.00 0.00 C ATOM 1901 NZ LYS A 119 7.834 15.992 -14.311 1.00 0.00 N ATOM 1902 OXT LYS A 119 14.905 16.157 -12.938 1.00 0.00 O ATOM 0 H LYS A 119 12.895 13.471 -10.743 1.00 0.00 H new ATOM 0 HA LYS A 119 13.582 14.137 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.570 15.306 -11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.897 15.993 -13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.191 13.891 -14.263 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.991 13.100 -12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.777 13.809 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.313 14.999 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.810 16.627 -13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.719 15.424 -15.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.693 16.746 -15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.351 15.127 -14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.440 16.292 -13.397 1.00 0.00 H new TER 1916 LYS A 119