USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 31 CYS SG : rot -113:sc= 1.55 USER MOD Set 1.2: A 40 HIS : no HE2:sc= 1.76 K(o=4.4,f=-13!) USER MOD Set 1.3: A 56 CYS SG : rot 180:sc= -0.45 USER MOD Set 1.4: A 59 CYS SG : rot -130:sc= 0.534 USER MOD Set 1.5: A 63 TYR OH : rot 49:sc= 1 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.17 (180deg=-0.921) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 9 GLN : amide:sc= -0.0104 K(o=-0.01,f=-2.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 160:sc= -0.167 (180deg=-0.639) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -65:sc= 1.24 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc=-0.00215 X(o=-0.0021,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00885 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0.588 K(o=0.59,f=-4.2!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= 1.19 (180deg=1.17) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.01) USER MOD Single : A 80 HIS : no HE2:sc= -0.539 K(o=-0.54,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.195 9.482 -19.029 1.00 0.00 N ATOM 2 CA MET A 1 28.728 9.290 -19.004 1.00 0.00 C ATOM 3 C MET A 1 28.352 7.956 -19.649 1.00 0.00 C ATOM 4 O MET A 1 28.819 7.630 -20.738 1.00 0.00 O ATOM 5 CB MET A 1 28.034 10.433 -19.753 1.00 0.00 C ATOM 6 CG MET A 1 26.518 10.396 -19.665 1.00 0.00 C ATOM 7 SD MET A 1 25.734 11.514 -20.845 1.00 0.00 S ATOM 8 CE MET A 1 26.189 10.730 -22.391 1.00 0.00 C ATOM 0 H1 MET A 1 30.433 10.393 -18.587 1.00 0.00 H new ATOM 0 H2 MET A 1 30.655 8.711 -18.504 1.00 0.00 H new ATOM 0 H3 MET A 1 30.529 9.477 -20.014 1.00 0.00 H new ATOM 0 HA MET A 1 28.400 9.287 -17.965 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.388 11.384 -19.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.328 10.398 -20.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.171 9.379 -19.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.209 10.663 -18.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.454 10.980 -23.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.172 11.084 -22.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.218 9.649 -22.256 1.00 0.00 H new ATOM 20 N ARG A 2 27.516 7.186 -18.967 1.00 0.00 N ATOM 21 CA ARG A 2 27.020 5.931 -19.511 1.00 0.00 C ATOM 22 C ARG A 2 25.625 6.133 -20.081 1.00 0.00 C ATOM 23 O ARG A 2 24.679 6.375 -19.332 1.00 0.00 O ATOM 24 CB ARG A 2 26.953 4.842 -18.435 1.00 0.00 C ATOM 25 CG ARG A 2 28.289 4.448 -17.827 1.00 0.00 C ATOM 26 CD ARG A 2 28.102 3.276 -16.877 1.00 0.00 C ATOM 27 NE ARG A 2 29.333 2.883 -16.196 1.00 0.00 N ATOM 28 CZ ARG A 2 29.475 1.721 -15.555 1.00 0.00 C ATOM 29 NH1 ARG A 2 28.507 0.810 -15.594 1.00 0.00 N ATOM 30 NH2 ARG A 2 30.590 1.452 -14.897 1.00 0.00 N ATOM 0 H ARG A 2 27.167 7.409 -18.035 1.00 0.00 H new ATOM 0 HA ARG A 2 27.711 5.614 -20.292 1.00 0.00 H new ATOM 0 HB2 ARG A 2 26.295 5.184 -17.636 1.00 0.00 H new ATOM 0 HB3 ARG A 2 26.493 3.954 -18.868 1.00 0.00 H new ATOM 0 HG2 ARG A 2 28.992 4.179 -18.616 1.00 0.00 H new ATOM 0 HG3 ARG A 2 28.719 5.295 -17.292 1.00 0.00 H new ATOM 0 HD2 ARG A 2 27.350 3.537 -16.132 1.00 0.00 H new ATOM 0 HD3 ARG A 2 27.715 2.423 -17.435 1.00 0.00 H new ATOM 0 HE ARG A 2 30.123 3.528 -16.211 1.00 0.00 H new ATOM 0 HH11 ARG A 2 27.651 0.998 -16.116 1.00 0.00 H new ATOM 0 HH12 ARG A 2 28.621 -0.076 -15.102 1.00 0.00 H new ATOM 0 HH21 ARG A 2 31.348 2.134 -14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 2 30.692 0.562 -14.409 1.00 0.00 H new ATOM 44 N ARG A 3 25.491 6.059 -21.396 1.00 0.00 N ATOM 45 CA ARG A 3 24.181 6.161 -22.016 1.00 0.00 C ATOM 46 C ARG A 3 23.478 4.808 -21.985 1.00 0.00 C ATOM 47 O ARG A 3 23.925 3.852 -22.623 1.00 0.00 O ATOM 48 CB ARG A 3 24.276 6.666 -23.459 1.00 0.00 C ATOM 49 CG ARG A 3 22.915 6.811 -24.117 1.00 0.00 C ATOM 50 CD ARG A 3 23.020 7.193 -25.584 1.00 0.00 C ATOM 51 NE ARG A 3 21.697 7.257 -26.211 1.00 0.00 N ATOM 52 CZ ARG A 3 21.483 7.287 -27.526 1.00 0.00 C ATOM 53 NH1 ARG A 3 22.500 7.319 -28.375 1.00 0.00 N ATOM 54 NH2 ARG A 3 20.241 7.325 -27.994 1.00 0.00 N ATOM 0 H ARG A 3 26.265 5.930 -22.048 1.00 0.00 H new ATOM 0 HA ARG A 3 23.601 6.886 -21.445 1.00 0.00 H new ATOM 0 HB2 ARG A 3 24.785 7.630 -23.470 1.00 0.00 H new ATOM 0 HB3 ARG A 3 24.886 5.976 -24.042 1.00 0.00 H new ATOM 0 HG2 ARG A 3 22.369 5.872 -24.027 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.337 7.568 -23.587 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.516 8.159 -25.676 1.00 0.00 H new ATOM 0 HD3 ARG A 3 23.639 6.465 -26.109 1.00 0.00 H new ATOM 0 HE ARG A 3 20.882 7.280 -25.598 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.458 7.321 -28.024 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.325 7.342 -29.380 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.452 7.331 -27.347 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.076 7.348 -29.000 1.00 0.00 H new ATOM 68 N GLN A 4 22.400 4.724 -21.222 1.00 0.00 N ATOM 69 CA GLN A 4 21.600 3.514 -21.170 1.00 0.00 C ATOM 70 C GLN A 4 20.215 3.819 -21.734 1.00 0.00 C ATOM 71 O GLN A 4 19.368 4.389 -21.041 1.00 0.00 O ATOM 72 CB GLN A 4 21.507 3.003 -19.724 1.00 0.00 C ATOM 73 CG GLN A 4 21.204 1.511 -19.585 1.00 0.00 C ATOM 74 CD GLN A 4 19.810 1.127 -20.050 1.00 0.00 C ATOM 75 OE1 GLN A 4 18.851 1.183 -19.282 1.00 0.00 O ATOM 76 NE2 GLN A 4 19.695 0.697 -21.297 1.00 0.00 N ATOM 0 H GLN A 4 22.060 5.481 -20.630 1.00 0.00 H new ATOM 0 HA GLN A 4 22.066 2.731 -21.769 1.00 0.00 H new ATOM 0 HB2 GLN A 4 22.449 3.216 -19.218 1.00 0.00 H new ATOM 0 HB3 GLN A 4 20.731 3.566 -19.205 1.00 0.00 H new ATOM 0 HG2 GLN A 4 21.938 0.945 -20.159 1.00 0.00 H new ATOM 0 HG3 GLN A 4 21.322 1.221 -18.541 1.00 0.00 H new ATOM 0 HE21 GLN A 4 20.515 0.666 -21.903 1.00 0.00 H new ATOM 0 HE22 GLN A 4 18.787 0.397 -21.651 1.00 0.00 H new ATOM 85 N PRO A 5 19.989 3.488 -23.013 1.00 0.00 N ATOM 86 CA PRO A 5 18.720 3.762 -23.693 1.00 0.00 C ATOM 87 C PRO A 5 17.548 3.014 -23.069 1.00 0.00 C ATOM 88 O PRO A 5 17.532 1.782 -23.030 1.00 0.00 O ATOM 89 CB PRO A 5 18.959 3.279 -25.130 1.00 0.00 C ATOM 90 CG PRO A 5 20.440 3.187 -25.267 1.00 0.00 C ATOM 91 CD PRO A 5 20.955 2.831 -23.904 1.00 0.00 C ATOM 0 HA PRO A 5 18.452 4.816 -23.626 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.486 2.313 -25.305 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.538 3.976 -25.855 1.00 0.00 H new ATOM 0 HG2 PRO A 5 20.719 2.430 -26.000 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.861 4.133 -25.609 1.00 0.00 H new ATOM 0 HD2 PRO A 5 20.980 1.752 -23.749 1.00 0.00 H new ATOM 0 HD3 PRO A 5 21.968 3.199 -23.745 1.00 0.00 H new ATOM 99 N LYS A 6 16.579 3.764 -22.568 1.00 0.00 N ATOM 100 CA LYS A 6 15.378 3.176 -22.010 1.00 0.00 C ATOM 101 C LYS A 6 14.143 3.696 -22.720 1.00 0.00 C ATOM 102 O LYS A 6 13.967 4.903 -22.887 1.00 0.00 O ATOM 103 CB LYS A 6 15.276 3.450 -20.511 1.00 0.00 C ATOM 104 CG LYS A 6 15.864 2.338 -19.666 1.00 0.00 C ATOM 105 CD LYS A 6 15.202 1.009 -19.993 1.00 0.00 C ATOM 106 CE LYS A 6 15.765 -0.125 -19.157 1.00 0.00 C ATOM 107 NZ LYS A 6 15.165 -1.433 -19.536 1.00 0.00 N ATOM 0 H LYS A 6 16.604 4.783 -22.538 1.00 0.00 H new ATOM 0 HA LYS A 6 15.439 2.098 -22.159 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.790 4.384 -20.282 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.229 3.588 -20.243 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.937 2.269 -19.843 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.729 2.567 -18.609 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.128 1.087 -19.823 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.342 0.784 -21.050 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.847 -0.169 -19.284 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.576 0.071 -18.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.572 -2.186 -18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.136 -1.398 -19.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.367 -1.631 -20.537 1.00 0.00 H new ATOM 121 N THR A 7 13.303 2.774 -23.148 1.00 0.00 N ATOM 122 CA THR A 7 12.061 3.110 -23.810 1.00 0.00 C ATOM 123 C THR A 7 10.875 2.789 -22.905 1.00 0.00 C ATOM 124 O THR A 7 10.992 1.976 -21.982 1.00 0.00 O ATOM 125 CB THR A 7 11.931 2.341 -25.135 1.00 0.00 C ATOM 126 OG1 THR A 7 12.312 0.968 -24.944 1.00 0.00 O ATOM 127 CG2 THR A 7 12.799 2.973 -26.215 1.00 0.00 C ATOM 0 H THR A 7 13.464 1.772 -23.046 1.00 0.00 H new ATOM 0 HA THR A 7 12.065 4.179 -24.024 1.00 0.00 H new ATOM 0 HB THR A 7 10.891 2.386 -25.458 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.225 0.484 -25.791 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.691 2.412 -27.143 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.486 4.005 -26.376 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.842 2.955 -25.900 1.00 0.00 H new ATOM 135 N ARG A 8 9.742 3.424 -23.164 1.00 0.00 N ATOM 136 CA ARG A 8 8.549 3.224 -22.357 1.00 0.00 C ATOM 137 C ARG A 8 7.307 3.249 -23.252 1.00 0.00 C ATOM 138 O ARG A 8 6.748 4.304 -23.549 1.00 0.00 O ATOM 139 CB ARG A 8 8.476 4.279 -21.238 1.00 0.00 C ATOM 140 CG ARG A 8 8.484 5.725 -21.722 1.00 0.00 C ATOM 141 CD ARG A 8 8.697 6.702 -20.573 1.00 0.00 C ATOM 142 NE ARG A 8 10.103 6.783 -20.174 1.00 0.00 N ATOM 143 CZ ARG A 8 10.529 7.214 -18.985 1.00 0.00 C ATOM 144 NH1 ARG A 8 9.658 7.595 -18.055 1.00 0.00 N ATOM 145 NH2 ARG A 8 11.833 7.282 -18.737 1.00 0.00 N ATOM 0 H ARG A 8 9.624 4.086 -23.931 1.00 0.00 H new ATOM 0 HA ARG A 8 8.593 2.247 -21.876 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.569 4.110 -20.657 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.319 4.132 -20.563 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.273 5.857 -22.463 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.540 5.948 -22.219 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.347 7.691 -20.869 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.095 6.393 -19.718 1.00 0.00 H new ATOM 0 HE ARG A 8 10.806 6.490 -20.852 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.657 7.559 -18.248 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.991 7.923 -17.148 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.504 7.005 -19.454 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.163 7.611 -17.830 1.00 0.00 H new ATOM 159 N GLN A 9 6.904 2.076 -23.712 1.00 0.00 N ATOM 160 CA GLN A 9 5.823 1.967 -24.680 1.00 0.00 C ATOM 161 C GLN A 9 4.542 1.440 -24.044 1.00 0.00 C ATOM 162 O GLN A 9 4.561 0.453 -23.304 1.00 0.00 O ATOM 163 CB GLN A 9 6.245 1.049 -25.824 1.00 0.00 C ATOM 164 CG GLN A 9 5.181 0.876 -26.897 1.00 0.00 C ATOM 165 CD GLN A 9 4.865 2.169 -27.619 1.00 0.00 C ATOM 166 OE1 GLN A 9 3.978 2.925 -27.214 1.00 0.00 O ATOM 167 NE2 GLN A 9 5.583 2.426 -28.697 1.00 0.00 N ATOM 0 H GLN A 9 7.310 1.184 -23.430 1.00 0.00 H new ATOM 0 HA GLN A 9 5.618 2.967 -25.062 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.149 1.448 -26.283 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.500 0.070 -25.417 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.517 0.133 -27.620 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.271 0.487 -26.441 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.307 1.772 -28.996 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.414 3.278 -29.231 1.00 0.00 H new ATOM 176 N GLU A 10 3.438 2.105 -24.349 1.00 0.00 N ATOM 177 CA GLU A 10 2.119 1.672 -23.918 1.00 0.00 C ATOM 178 C GLU A 10 1.248 1.381 -25.144 1.00 0.00 C ATOM 179 O GLU A 10 0.779 2.295 -25.824 1.00 0.00 O ATOM 180 CB GLU A 10 1.476 2.736 -23.014 1.00 0.00 C ATOM 181 CG GLU A 10 1.432 4.133 -23.627 1.00 0.00 C ATOM 182 CD GLU A 10 0.914 5.189 -22.672 1.00 0.00 C ATOM 183 OE1 GLU A 10 -0.315 5.248 -22.445 1.00 0.00 O ATOM 184 OE2 GLU A 10 1.733 5.983 -22.161 1.00 0.00 O ATOM 0 H GLU A 10 3.432 2.961 -24.903 1.00 0.00 H new ATOM 0 HA GLU A 10 2.210 0.755 -23.335 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.460 2.425 -22.772 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.028 2.781 -22.075 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.434 4.410 -23.956 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.799 4.113 -24.514 1.00 0.00 H new ATOM 191 N SER A 11 1.076 0.105 -25.459 1.00 0.00 N ATOM 192 CA SER A 11 0.307 -0.287 -26.633 1.00 0.00 C ATOM 193 C SER A 11 -0.594 -1.483 -26.331 1.00 0.00 C ATOM 194 O SER A 11 -0.889 -2.294 -27.212 1.00 0.00 O ATOM 195 CB SER A 11 1.257 -0.612 -27.789 1.00 0.00 C ATOM 196 OG SER A 11 2.116 0.483 -28.065 1.00 0.00 O ATOM 0 H SER A 11 1.456 -0.674 -24.921 1.00 0.00 H new ATOM 0 HA SER A 11 -0.334 0.547 -26.918 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.851 -1.491 -27.540 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.680 -0.860 -28.680 1.00 0.00 H new ATOM 0 HG SER A 11 2.714 0.251 -28.806 1.00 0.00 H new ATOM 202 N ALA A 12 -1.053 -1.576 -25.089 1.00 0.00 N ATOM 203 CA ALA A 12 -1.947 -2.652 -24.687 1.00 0.00 C ATOM 204 C ALA A 12 -3.344 -2.402 -25.244 1.00 0.00 C ATOM 205 O ALA A 12 -4.059 -1.519 -24.777 1.00 0.00 O ATOM 206 CB ALA A 12 -1.984 -2.774 -23.172 1.00 0.00 C ATOM 0 H ALA A 12 -0.820 -0.919 -24.344 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.574 -3.592 -25.093 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.657 -3.583 -22.888 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.982 -2.988 -22.800 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.339 -1.838 -22.740 1.00 0.00 H new ATOM 212 N ARG A 13 -3.715 -3.154 -26.270 1.00 0.00 N ATOM 213 CA ARG A 13 -4.988 -2.943 -26.949 1.00 0.00 C ATOM 214 C ARG A 13 -5.909 -4.145 -26.795 1.00 0.00 C ATOM 215 O ARG A 13 -7.108 -4.053 -27.058 1.00 0.00 O ATOM 216 CB ARG A 13 -4.758 -2.652 -28.438 1.00 0.00 C ATOM 217 CG ARG A 13 -3.972 -1.374 -28.712 1.00 0.00 C ATOM 218 CD ARG A 13 -4.750 -0.121 -28.323 1.00 0.00 C ATOM 219 NE ARG A 13 -4.906 0.023 -26.876 1.00 0.00 N ATOM 220 CZ ARG A 13 -5.572 1.012 -26.288 1.00 0.00 C ATOM 221 NH1 ARG A 13 -6.205 1.926 -27.014 1.00 0.00 N ATOM 222 NH2 ARG A 13 -5.628 1.067 -24.965 1.00 0.00 N ATOM 0 H ARG A 13 -3.154 -3.916 -26.651 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.470 -2.084 -26.483 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.228 -3.494 -28.883 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.725 -2.584 -28.937 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.033 -1.402 -28.159 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.717 -1.327 -29.771 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.238 0.756 -28.718 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.735 -0.151 -28.789 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.475 -0.682 -26.278 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.183 1.873 -28.032 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.713 2.681 -26.553 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.162 0.353 -24.405 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.137 1.823 -24.507 1.00 0.00 H new ATOM 236 N MET A 14 -5.349 -5.270 -26.372 1.00 0.00 N ATOM 237 CA MET A 14 -6.125 -6.491 -26.214 1.00 0.00 C ATOM 238 C MET A 14 -6.171 -6.918 -24.754 1.00 0.00 C ATOM 239 O MET A 14 -5.269 -6.597 -23.977 1.00 0.00 O ATOM 240 CB MET A 14 -5.531 -7.625 -27.055 1.00 0.00 C ATOM 241 CG MET A 14 -5.532 -7.361 -28.549 1.00 0.00 C ATOM 242 SD MET A 14 -4.852 -8.736 -29.501 1.00 0.00 S ATOM 243 CE MET A 14 -6.015 -10.040 -29.103 1.00 0.00 C ATOM 0 H MET A 14 -4.362 -5.362 -26.133 1.00 0.00 H new ATOM 0 HA MET A 14 -7.139 -6.284 -26.557 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.506 -7.804 -26.730 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.092 -8.539 -26.859 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.553 -7.166 -28.879 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.953 -6.461 -28.755 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.955 -10.824 -29.858 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.772 -10.458 -28.126 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.026 -9.632 -29.082 1.00 0.00 H new ATOM 253 N SER A 15 -7.235 -7.631 -24.404 1.00 0.00 N ATOM 254 CA SER A 15 -7.407 -8.203 -23.075 1.00 0.00 C ATOM 255 C SER A 15 -7.566 -7.121 -22.012 1.00 0.00 C ATOM 256 O SER A 15 -6.612 -6.767 -21.317 1.00 0.00 O ATOM 257 CB SER A 15 -6.238 -9.138 -22.726 1.00 0.00 C ATOM 258 OG SER A 15 -6.393 -9.702 -21.434 1.00 0.00 O ATOM 0 H SER A 15 -8.008 -7.830 -25.039 1.00 0.00 H new ATOM 0 HA SER A 15 -8.326 -8.789 -23.089 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.174 -9.935 -23.467 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.301 -8.584 -22.772 1.00 0.00 H new ATOM 0 HG SER A 15 -5.635 -10.293 -21.242 1.00 0.00 H new ATOM 264 N ILE A 16 -8.770 -6.589 -21.902 1.00 0.00 N ATOM 265 CA ILE A 16 -9.083 -5.634 -20.856 1.00 0.00 C ATOM 266 C ILE A 16 -9.832 -6.362 -19.752 1.00 0.00 C ATOM 267 O ILE A 16 -10.406 -7.429 -19.983 1.00 0.00 O ATOM 268 CB ILE A 16 -9.939 -4.433 -21.344 1.00 0.00 C ATOM 269 CG1 ILE A 16 -9.579 -4.025 -22.780 1.00 0.00 C ATOM 270 CG2 ILE A 16 -9.755 -3.238 -20.416 1.00 0.00 C ATOM 271 CD1 ILE A 16 -10.278 -4.839 -23.849 1.00 0.00 C ATOM 0 H ILE A 16 -9.548 -6.803 -22.526 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.139 -5.219 -20.504 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.981 -4.751 -21.330 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.827 -2.973 -22.920 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.501 -4.119 -22.914 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.361 -2.405 -20.771 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.067 -3.509 -19.407 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.705 -2.944 -20.405 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.969 -4.488 -24.834 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.011 -5.890 -23.739 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.357 -4.726 -23.745 1.00 0.00 H new ATOM 283 N GLU A 17 -9.841 -5.786 -18.569 1.00 0.00 N ATOM 284 CA GLU A 17 -10.434 -6.431 -17.410 1.00 0.00 C ATOM 285 C GLU A 17 -10.803 -5.381 -16.370 1.00 0.00 C ATOM 286 O GLU A 17 -10.399 -4.222 -16.492 1.00 0.00 O ATOM 287 CB GLU A 17 -9.448 -7.448 -16.819 1.00 0.00 C ATOM 288 CG GLU A 17 -10.079 -8.430 -15.845 1.00 0.00 C ATOM 289 CD GLU A 17 -11.222 -9.210 -16.464 1.00 0.00 C ATOM 290 OE1 GLU A 17 -12.364 -8.700 -16.456 1.00 0.00 O ATOM 291 OE2 GLU A 17 -10.987 -10.331 -16.962 1.00 0.00 O ATOM 0 H GLU A 17 -9.442 -4.866 -18.381 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.339 -6.958 -17.712 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.987 -8.006 -17.634 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.649 -6.910 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.318 -9.126 -15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.444 -7.888 -14.973 1.00 0.00 H new ATOM 298 N ALA A 18 -11.577 -5.783 -15.369 1.00 0.00 N ATOM 299 CA ALA A 18 -11.980 -4.884 -14.292 1.00 0.00 C ATOM 300 C ALA A 18 -10.757 -4.331 -13.560 1.00 0.00 C ATOM 301 O ALA A 18 -10.002 -5.084 -12.938 1.00 0.00 O ATOM 302 CB ALA A 18 -12.905 -5.606 -13.318 1.00 0.00 C ATOM 0 H ALA A 18 -11.941 -6.732 -15.280 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.521 -4.045 -14.730 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.197 -4.923 -12.520 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.794 -5.948 -13.847 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.385 -6.463 -12.890 1.00 0.00 H new ATOM 308 N PRO A 19 -10.544 -3.007 -13.636 1.00 0.00 N ATOM 309 CA PRO A 19 -9.376 -2.351 -13.044 1.00 0.00 C ATOM 310 C PRO A 19 -9.384 -2.402 -11.520 1.00 0.00 C ATOM 311 O PRO A 19 -10.439 -2.353 -10.884 1.00 0.00 O ATOM 312 CB PRO A 19 -9.476 -0.896 -13.531 1.00 0.00 C ATOM 313 CG PRO A 19 -10.491 -0.912 -14.624 1.00 0.00 C ATOM 314 CD PRO A 19 -11.422 -2.045 -14.309 1.00 0.00 C ATOM 0 HA PRO A 19 -8.451 -2.846 -13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.780 -0.231 -12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.513 -0.536 -13.894 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.030 0.034 -14.670 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.016 -1.056 -15.595 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.243 -1.728 -13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.868 -2.465 -15.211 1.00 0.00 H new ATOM 322 N GLU A 20 -8.200 -2.513 -10.943 1.00 0.00 N ATOM 323 CA GLU A 20 -8.053 -2.521 -9.501 1.00 0.00 C ATOM 324 C GLU A 20 -7.408 -1.217 -9.041 1.00 0.00 C ATOM 325 O GLU A 20 -6.199 -1.015 -9.181 1.00 0.00 O ATOM 326 CB GLU A 20 -7.233 -3.737 -9.057 1.00 0.00 C ATOM 327 CG GLU A 20 -7.061 -3.869 -7.550 1.00 0.00 C ATOM 328 CD GLU A 20 -8.369 -3.791 -6.787 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.379 -4.360 -7.251 1.00 0.00 O ATOM 330 OE2 GLU A 20 -8.385 -3.161 -5.707 1.00 0.00 O ATOM 0 H GLU A 20 -7.323 -2.599 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.037 -2.598 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.712 -4.640 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.247 -3.682 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.576 -4.820 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.395 -3.081 -7.197 1.00 0.00 H new ATOM 337 N THR A 21 -8.235 -0.328 -8.518 1.00 0.00 N ATOM 338 CA THR A 21 -7.796 0.993 -8.107 1.00 0.00 C ATOM 339 C THR A 21 -8.284 1.297 -6.693 1.00 0.00 C ATOM 340 O THR A 21 -9.445 1.050 -6.366 1.00 0.00 O ATOM 341 CB THR A 21 -8.318 2.067 -9.084 1.00 0.00 C ATOM 342 OG1 THR A 21 -7.951 1.725 -10.429 1.00 0.00 O ATOM 343 CG2 THR A 21 -7.767 3.443 -8.739 1.00 0.00 C ATOM 0 H THR A 21 -9.229 -0.502 -8.367 1.00 0.00 H new ATOM 0 HA THR A 21 -6.706 1.010 -8.118 1.00 0.00 H new ATOM 0 HB THR A 21 -9.404 2.101 -8.997 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.287 2.410 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.153 4.177 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.074 3.715 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.679 3.424 -8.795 1.00 0.00 H new ATOM 351 N VAL A 22 -7.392 1.815 -5.860 1.00 0.00 N ATOM 352 CA VAL A 22 -7.712 2.089 -4.465 1.00 0.00 C ATOM 353 C VAL A 22 -7.640 3.580 -4.167 1.00 0.00 C ATOM 354 O VAL A 22 -6.730 4.273 -4.626 1.00 0.00 O ATOM 355 CB VAL A 22 -6.757 1.336 -3.514 1.00 0.00 C ATOM 356 CG1 VAL A 22 -7.173 1.527 -2.064 1.00 0.00 C ATOM 357 CG2 VAL A 22 -6.713 -0.140 -3.863 1.00 0.00 C ATOM 0 H VAL A 22 -6.437 2.055 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.731 1.740 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.757 1.752 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.485 0.987 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.150 2.588 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.183 1.143 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.035 -0.655 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.712 -0.566 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.360 -0.261 -4.887 1.00 0.00 H new ATOM 367 N VAL A 23 -8.609 4.065 -3.409 1.00 0.00 N ATOM 368 CA VAL A 23 -8.605 5.448 -2.954 1.00 0.00 C ATOM 369 C VAL A 23 -7.993 5.511 -1.560 1.00 0.00 C ATOM 370 O VAL A 23 -8.481 4.859 -0.635 1.00 0.00 O ATOM 371 CB VAL A 23 -10.027 6.045 -2.913 1.00 0.00 C ATOM 372 CG1 VAL A 23 -9.990 7.509 -2.493 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.712 5.889 -4.265 1.00 0.00 C ATOM 0 H VAL A 23 -9.412 3.520 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.018 6.034 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.605 5.496 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.004 7.907 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.547 7.592 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.392 8.077 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.714 6.316 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.133 6.408 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.780 4.831 -4.518 1.00 0.00 H new ATOM 383 N VAL A 24 -6.926 6.279 -1.412 1.00 0.00 N ATOM 384 CA VAL A 24 -6.191 6.328 -0.154 1.00 0.00 C ATOM 385 C VAL A 24 -6.126 7.743 0.411 1.00 0.00 C ATOM 386 O VAL A 24 -6.111 8.728 -0.330 1.00 0.00 O ATOM 387 CB VAL A 24 -4.756 5.781 -0.309 1.00 0.00 C ATOM 388 CG1 VAL A 24 -4.781 4.296 -0.627 1.00 0.00 C ATOM 389 CG2 VAL A 24 -3.995 6.546 -1.384 1.00 0.00 C ATOM 0 H VAL A 24 -6.548 6.878 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.741 5.694 0.542 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.237 5.922 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.760 3.929 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.278 3.759 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.323 4.132 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.987 6.141 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.513 6.445 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.940 7.600 -1.111 1.00 0.00 H new ATOM 399 N SER A 25 -6.116 7.822 1.731 1.00 0.00 N ATOM 400 CA SER A 25 -5.977 9.079 2.434 1.00 0.00 C ATOM 401 C SER A 25 -4.556 9.224 2.969 1.00 0.00 C ATOM 402 O SER A 25 -4.108 10.323 3.302 1.00 0.00 O ATOM 403 CB SER A 25 -6.972 9.115 3.589 1.00 0.00 C ATOM 404 OG SER A 25 -8.284 8.813 3.139 1.00 0.00 O ATOM 0 H SER A 25 -6.205 7.012 2.344 1.00 0.00 H new ATOM 0 HA SER A 25 -6.178 9.903 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.672 8.399 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.961 10.101 4.053 1.00 0.00 H new ATOM 0 HG SER A 25 -8.588 9.513 2.524 1.00 0.00 H new ATOM 410 N THR A 26 -3.852 8.102 3.034 1.00 0.00 N ATOM 411 CA THR A 26 -2.513 8.054 3.597 1.00 0.00 C ATOM 412 C THR A 26 -1.446 8.218 2.518 1.00 0.00 C ATOM 413 O THR A 26 -1.685 7.916 1.348 1.00 0.00 O ATOM 414 CB THR A 26 -2.300 6.725 4.347 1.00 0.00 C ATOM 415 OG1 THR A 26 -2.882 5.645 3.597 1.00 0.00 O ATOM 416 CG2 THR A 26 -2.923 6.780 5.734 1.00 0.00 C ATOM 0 H THR A 26 -4.194 7.202 2.698 1.00 0.00 H new ATOM 0 HA THR A 26 -2.416 8.885 4.296 1.00 0.00 H new ATOM 0 HB THR A 26 -1.228 6.559 4.456 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.743 4.802 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.760 5.831 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.463 7.584 6.308 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.994 6.965 5.645 1.00 0.00 H new ATOM 424 N TRP A 27 -0.274 8.707 2.913 1.00 0.00 N ATOM 425 CA TRP A 27 0.819 8.902 1.976 1.00 0.00 C ATOM 426 C TRP A 27 1.530 7.584 1.701 1.00 0.00 C ATOM 427 O TRP A 27 1.669 7.168 0.551 1.00 0.00 O ATOM 428 CB TRP A 27 1.803 9.933 2.524 1.00 0.00 C ATOM 429 CG TRP A 27 1.179 11.270 2.781 1.00 0.00 C ATOM 430 CD1 TRP A 27 0.920 11.835 3.996 1.00 0.00 C ATOM 431 CD2 TRP A 27 0.723 12.205 1.798 1.00 0.00 C ATOM 432 NE1 TRP A 27 0.342 13.068 3.827 1.00 0.00 N ATOM 433 CE2 TRP A 27 0.211 13.317 2.489 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.709 12.212 0.402 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -0.319 14.422 1.829 1.00 0.00 C ATOM 436 CZ3 TRP A 27 0.182 13.308 -0.252 1.00 0.00 C ATOM 437 CH2 TRP A 27 -0.322 14.402 0.463 1.00 0.00 C ATOM 0 H TRP A 27 -0.061 8.974 3.874 1.00 0.00 H new ATOM 0 HA TRP A 27 0.409 9.273 1.036 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.234 9.557 3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.624 10.053 1.817 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.138 11.379 4.950 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.056 13.697 4.578 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.103 11.376 -0.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.714 15.265 2.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.158 13.322 -1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.721 15.248 -0.077 1.00 0.00 H new ATOM 448 N LYS A 28 1.989 6.932 2.761 1.00 0.00 N ATOM 449 CA LYS A 28 2.599 5.615 2.637 1.00 0.00 C ATOM 450 C LYS A 28 1.551 4.544 2.893 1.00 0.00 C ATOM 451 O LYS A 28 0.935 4.514 3.959 1.00 0.00 O ATOM 452 CB LYS A 28 3.763 5.450 3.616 1.00 0.00 C ATOM 453 CG LYS A 28 4.943 6.361 3.326 1.00 0.00 C ATOM 454 CD LYS A 28 6.110 6.071 4.258 1.00 0.00 C ATOM 455 CE LYS A 28 6.605 4.639 4.101 1.00 0.00 C ATOM 456 NZ LYS A 28 7.740 4.340 5.010 1.00 0.00 N ATOM 0 H LYS A 28 1.951 7.293 3.714 1.00 0.00 H new ATOM 0 HA LYS A 28 2.992 5.511 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.405 5.645 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.101 4.414 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.260 6.230 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.637 7.401 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.925 6.764 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.804 6.240 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.787 3.948 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.914 4.473 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.046 3.356 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.531 4.982 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.439 4.473 5.997 1.00 0.00 H new ATOM 470 N VAL A 29 1.347 3.678 1.919 1.00 0.00 N ATOM 471 CA VAL A 29 0.323 2.650 2.019 1.00 0.00 C ATOM 472 C VAL A 29 0.966 1.272 2.002 1.00 0.00 C ATOM 473 O VAL A 29 2.034 1.081 1.416 1.00 0.00 O ATOM 474 CB VAL A 29 -0.685 2.734 0.854 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.991 2.031 1.208 1.00 0.00 C ATOM 476 CG2 VAL A 29 -0.942 4.181 0.444 1.00 0.00 C ATOM 0 H VAL A 29 1.876 3.664 1.047 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.209 2.813 2.957 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.244 2.220 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.683 2.106 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.792 0.981 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.432 2.503 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.656 4.205 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.347 4.733 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.006 4.641 0.125 1.00 0.00 H new ATOM 486 N ALA A 30 0.307 0.320 2.627 1.00 0.00 N ATOM 487 CA ALA A 30 0.794 -1.044 2.669 1.00 0.00 C ATOM 488 C ALA A 30 0.079 -1.876 1.619 1.00 0.00 C ATOM 489 O ALA A 30 -1.100 -2.206 1.769 1.00 0.00 O ATOM 490 CB ALA A 30 0.588 -1.642 4.055 1.00 0.00 C ATOM 0 H ALA A 30 -0.575 0.467 3.117 1.00 0.00 H new ATOM 0 HA ALA A 30 1.863 -1.045 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.959 -2.667 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.131 -1.050 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.474 -1.638 4.299 1.00 0.00 H new ATOM 496 N CYS A 31 0.786 -2.200 0.548 1.00 0.00 N ATOM 497 CA CYS A 31 0.199 -2.967 -0.536 1.00 0.00 C ATOM 498 C CYS A 31 0.398 -4.451 -0.279 1.00 0.00 C ATOM 499 O CYS A 31 1.444 -4.867 0.213 1.00 0.00 O ATOM 500 CB CYS A 31 0.809 -2.571 -1.881 1.00 0.00 C ATOM 501 SG CYS A 31 0.003 -3.318 -3.318 1.00 0.00 S ATOM 0 H CYS A 31 1.763 -1.944 0.407 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.868 -2.750 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.767 -1.486 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.862 -2.851 -1.885 1.00 0.00 H new ATOM 0 HG CYS A 31 0.825 -4.141 -3.898 1.00 0.00 H new ATOM 507 N ASP A 32 -0.608 -5.235 -0.617 1.00 0.00 N ATOM 508 CA ASP A 32 -0.612 -6.656 -0.296 1.00 0.00 C ATOM 509 C ASP A 32 -1.084 -7.475 -1.495 1.00 0.00 C ATOM 510 O ASP A 32 -1.621 -8.572 -1.355 1.00 0.00 O ATOM 511 CB ASP A 32 -1.501 -6.891 0.931 1.00 0.00 C ATOM 512 CG ASP A 32 -1.361 -8.283 1.520 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.251 -8.641 1.961 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.370 -9.019 1.558 1.00 0.00 O ATOM 0 H ASP A 32 -1.438 -4.914 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 32 0.401 -6.983 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.254 -6.155 1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.542 -6.725 0.653 1.00 0.00 H new ATOM 519 N GLY A 33 -0.877 -6.923 -2.686 1.00 0.00 N ATOM 520 CA GLY A 33 -1.167 -7.655 -3.903 1.00 0.00 C ATOM 521 C GLY A 33 -2.527 -7.338 -4.487 1.00 0.00 C ATOM 522 O GLY A 33 -3.043 -6.228 -4.332 1.00 0.00 O ATOM 0 H GLY A 33 -0.513 -5.981 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.400 -7.430 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.108 -8.724 -3.698 1.00 0.00 H new ATOM 526 N GLY A 34 -3.102 -8.329 -5.157 1.00 0.00 N ATOM 527 CA GLY A 34 -4.379 -8.157 -5.821 1.00 0.00 C ATOM 528 C GLY A 34 -4.925 -9.468 -6.344 1.00 0.00 C ATOM 529 O GLY A 34 -5.035 -10.445 -5.602 1.00 0.00 O ATOM 0 H GLY A 34 -2.699 -9.261 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.094 -7.718 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.267 -7.455 -6.647 1.00 0.00 H new ATOM 533 N GLU A 35 -5.269 -9.484 -7.622 1.00 0.00 N ATOM 534 CA GLU A 35 -5.750 -10.697 -8.278 1.00 0.00 C ATOM 535 C GLU A 35 -4.611 -11.678 -8.541 1.00 0.00 C ATOM 536 O GLU A 35 -3.435 -11.338 -8.374 1.00 0.00 O ATOM 537 CB GLU A 35 -6.455 -10.354 -9.588 1.00 0.00 C ATOM 538 CG GLU A 35 -7.903 -9.946 -9.398 1.00 0.00 C ATOM 539 CD GLU A 35 -8.726 -11.061 -8.786 1.00 0.00 C ATOM 540 OE1 GLU A 35 -9.109 -11.995 -9.521 1.00 0.00 O ATOM 541 OE2 GLU A 35 -8.976 -11.027 -7.562 1.00 0.00 O ATOM 0 H GLU A 35 -5.225 -8.667 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.461 -11.175 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.918 -9.544 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.412 -11.216 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.951 -9.065 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.331 -9.665 -10.360 1.00 0.00 H new ATOM 548 N GLY A 36 -4.969 -12.891 -8.964 1.00 0.00 N ATOM 549 CA GLY A 36 -3.982 -13.934 -9.203 1.00 0.00 C ATOM 550 C GLY A 36 -3.140 -13.685 -10.434 1.00 0.00 C ATOM 551 O GLY A 36 -3.365 -14.273 -11.495 1.00 0.00 O ATOM 0 H GLY A 36 -5.933 -13.171 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.329 -14.014 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.492 -14.892 -9.307 1.00 0.00 H new ATOM 555 N ALA A 37 -2.172 -12.814 -10.250 1.00 0.00 N ATOM 556 CA ALA A 37 -1.234 -12.386 -11.286 1.00 0.00 C ATOM 557 C ALA A 37 -0.427 -11.220 -10.752 1.00 0.00 C ATOM 558 O ALA A 37 0.746 -11.046 -11.069 1.00 0.00 O ATOM 559 CB ALA A 37 -1.960 -11.966 -12.562 1.00 0.00 C ATOM 0 H ALA A 37 -2.004 -12.365 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.583 -13.223 -11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.231 -11.654 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.537 -12.807 -12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.632 -11.136 -12.342 1.00 0.00 H new ATOM 565 N LEU A 38 -1.080 -10.442 -9.905 1.00 0.00 N ATOM 566 CA LEU A 38 -0.489 -9.247 -9.332 1.00 0.00 C ATOM 567 C LEU A 38 -0.380 -9.398 -7.821 1.00 0.00 C ATOM 568 O LEU A 38 -0.511 -8.431 -7.072 1.00 0.00 O ATOM 569 CB LEU A 38 -1.351 -8.031 -9.686 1.00 0.00 C ATOM 570 CG LEU A 38 -1.579 -7.812 -11.183 1.00 0.00 C ATOM 571 CD1 LEU A 38 -2.509 -6.632 -11.408 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.256 -7.595 -11.902 1.00 0.00 C ATOM 0 H LEU A 38 -2.035 -10.622 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 38 0.511 -9.103 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.320 -8.137 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.882 -7.139 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.047 -8.706 -11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.662 -6.488 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.468 -6.827 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.066 -5.733 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.441 -7.441 -12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.243 -6.718 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.379 -8.470 -11.767 1.00 0.00 H new ATOM 584 N GLY A 39 -0.134 -10.625 -7.381 1.00 0.00 N ATOM 585 CA GLY A 39 -0.072 -10.903 -5.964 1.00 0.00 C ATOM 586 C GLY A 39 1.335 -10.807 -5.413 1.00 0.00 C ATOM 587 O GLY A 39 2.297 -11.201 -6.072 1.00 0.00 O ATOM 0 H GLY A 39 0.024 -11.433 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.715 -10.202 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.464 -11.902 -5.776 1.00 0.00 H new ATOM 591 N HIS A 40 1.441 -10.288 -4.199 1.00 0.00 N ATOM 592 CA HIS A 40 2.726 -10.120 -3.531 1.00 0.00 C ATOM 593 C HIS A 40 2.495 -9.828 -2.045 1.00 0.00 C ATOM 594 O HIS A 40 1.383 -9.474 -1.655 1.00 0.00 O ATOM 595 CB HIS A 40 3.541 -8.988 -4.194 1.00 0.00 C ATOM 596 CG HIS A 40 2.936 -7.618 -4.063 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.019 -6.854 -2.921 1.00 0.00 N ATOM 598 CD2 HIS A 40 2.247 -6.869 -4.963 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.398 -5.699 -3.150 1.00 0.00 C ATOM 600 NE2 HIS A 40 1.911 -5.651 -4.375 1.00 0.00 N ATOM 0 H HIS A 40 0.642 -9.972 -3.649 1.00 0.00 H new ATOM 0 HA HIS A 40 3.301 -11.041 -3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.539 -8.973 -3.756 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.661 -9.217 -5.253 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.477 -7.126 -2.051 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.000 -7.169 -5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.305 -4.903 -2.426 1.00 0.00 H new ATOM 608 N PRO A 41 3.526 -9.984 -1.196 1.00 0.00 N ATOM 609 CA PRO A 41 3.405 -9.727 0.244 1.00 0.00 C ATOM 610 C PRO A 41 3.319 -8.235 0.570 1.00 0.00 C ATOM 611 O PRO A 41 3.413 -7.384 -0.318 1.00 0.00 O ATOM 612 CB PRO A 41 4.691 -10.326 0.815 1.00 0.00 C ATOM 613 CG PRO A 41 5.676 -10.233 -0.297 1.00 0.00 C ATOM 614 CD PRO A 41 4.889 -10.425 -1.564 1.00 0.00 C ATOM 0 HA PRO A 41 2.493 -10.157 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.030 -9.774 1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.542 -11.360 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.179 -9.266 -0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.449 -10.995 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.295 -9.831 -2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.900 -11.465 -1.889 1.00 0.00 H new ATOM 622 N ARG A 42 3.151 -7.930 1.847 1.00 0.00 N ATOM 623 CA ARG A 42 3.000 -6.553 2.304 1.00 0.00 C ATOM 624 C ARG A 42 4.233 -5.713 1.975 1.00 0.00 C ATOM 625 O ARG A 42 5.326 -5.964 2.485 1.00 0.00 O ATOM 626 CB ARG A 42 2.749 -6.526 3.810 1.00 0.00 C ATOM 627 CG ARG A 42 2.468 -5.135 4.362 1.00 0.00 C ATOM 628 CD ARG A 42 2.354 -5.153 5.879 1.00 0.00 C ATOM 629 NE ARG A 42 1.305 -6.062 6.345 1.00 0.00 N ATOM 630 CZ ARG A 42 1.429 -6.868 7.399 1.00 0.00 C ATOM 631 NH1 ARG A 42 2.567 -6.897 8.089 1.00 0.00 N ATOM 632 NH2 ARG A 42 0.416 -7.651 7.754 1.00 0.00 N ATOM 0 H ARG A 42 3.115 -8.624 2.594 1.00 0.00 H new ATOM 0 HA ARG A 42 2.146 -6.122 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.904 -7.175 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.618 -6.941 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.266 -4.455 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.544 -4.750 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.309 -5.453 6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.145 -4.145 6.238 1.00 0.00 H new ATOM 0 HE ARG A 42 0.424 -6.079 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.347 -6.301 7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.659 -7.515 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.453 -7.634 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.507 -8.269 8.560 1.00 0.00 H new ATOM 646 N VAL A 43 4.047 -4.722 1.116 1.00 0.00 N ATOM 647 CA VAL A 43 5.117 -3.799 0.777 1.00 0.00 C ATOM 648 C VAL A 43 4.692 -2.375 1.083 1.00 0.00 C ATOM 649 O VAL A 43 3.520 -2.100 1.351 1.00 0.00 O ATOM 650 CB VAL A 43 5.528 -3.909 -0.711 1.00 0.00 C ATOM 651 CG1 VAL A 43 4.463 -3.323 -1.623 1.00 0.00 C ATOM 652 CG2 VAL A 43 6.890 -3.274 -0.975 1.00 0.00 C ATOM 0 H VAL A 43 3.163 -4.537 0.641 1.00 0.00 H new ATOM 0 HA VAL A 43 5.982 -4.067 1.384 1.00 0.00 H new ATOM 0 HB VAL A 43 5.618 -4.971 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.782 -3.416 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.526 -3.862 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.316 -2.270 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.139 -3.374 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.857 -2.218 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.648 -3.776 -0.374 1.00 0.00 H new ATOM 662 N TRP A 44 5.647 -1.480 1.014 1.00 0.00 N ATOM 663 CA TRP A 44 5.426 -0.091 1.346 1.00 0.00 C ATOM 664 C TRP A 44 5.422 0.777 0.096 1.00 0.00 C ATOM 665 O TRP A 44 6.455 0.961 -0.544 1.00 0.00 O ATOM 666 CB TRP A 44 6.512 0.388 2.302 1.00 0.00 C ATOM 667 CG TRP A 44 6.459 -0.270 3.643 1.00 0.00 C ATOM 668 CD1 TRP A 44 7.296 -1.242 4.111 1.00 0.00 C ATOM 669 CD2 TRP A 44 5.513 -0.014 4.684 1.00 0.00 C ATOM 670 NE1 TRP A 44 6.931 -1.603 5.384 1.00 0.00 N ATOM 671 CE2 TRP A 44 5.838 -0.865 5.759 1.00 0.00 C ATOM 672 CE3 TRP A 44 4.423 0.851 4.816 1.00 0.00 C ATOM 673 CZ2 TRP A 44 5.109 -0.878 6.944 1.00 0.00 C ATOM 674 CZ3 TRP A 44 3.704 0.838 5.995 1.00 0.00 C ATOM 675 CH2 TRP A 44 4.051 -0.021 7.045 1.00 0.00 C ATOM 0 H TRP A 44 6.602 -1.693 0.726 1.00 0.00 H new ATOM 0 HA TRP A 44 4.451 -0.005 1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.488 0.202 1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.421 1.466 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.124 -1.665 3.561 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.397 -2.306 5.958 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.148 1.517 4.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.371 -1.542 7.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.860 1.502 6.109 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.469 -0.005 7.955 1.00 0.00 H new ATOM 686 N LEU A 45 4.262 1.298 -0.250 1.00 0.00 N ATOM 687 CA LEU A 45 4.147 2.223 -1.355 1.00 0.00 C ATOM 688 C LEU A 45 3.957 3.624 -0.810 1.00 0.00 C ATOM 689 O LEU A 45 3.653 3.795 0.367 1.00 0.00 O ATOM 690 CB LEU A 45 2.976 1.842 -2.257 1.00 0.00 C ATOM 691 CG LEU A 45 3.124 0.512 -2.998 1.00 0.00 C ATOM 692 CD1 LEU A 45 1.904 0.252 -3.866 1.00 0.00 C ATOM 693 CD2 LEU A 45 4.389 0.510 -3.841 1.00 0.00 C ATOM 0 H LEU A 45 3.382 1.094 0.223 1.00 0.00 H new ATOM 0 HA LEU A 45 5.058 2.184 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.071 1.802 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.833 2.634 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 45 3.201 -0.288 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.024 -0.698 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.013 0.212 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.799 1.055 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.478 -0.444 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.341 1.318 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.256 0.654 -3.196 1.00 0.00 H new ATOM 705 N SER A 46 4.123 4.616 -1.656 1.00 0.00 N ATOM 706 CA SER A 46 4.026 5.992 -1.220 1.00 0.00 C ATOM 707 C SER A 46 3.474 6.860 -2.338 1.00 0.00 C ATOM 708 O SER A 46 3.950 6.800 -3.471 1.00 0.00 O ATOM 709 CB SER A 46 5.405 6.496 -0.783 1.00 0.00 C ATOM 710 OG SER A 46 5.328 7.776 -0.176 1.00 0.00 O ATOM 0 H SER A 46 4.326 4.497 -2.649 1.00 0.00 H new ATOM 0 HA SER A 46 3.344 6.049 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.846 5.787 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.066 6.543 -1.648 1.00 0.00 H new ATOM 0 HG SER A 46 6.225 8.066 0.092 1.00 0.00 H new ATOM 716 N ILE A 47 2.457 7.644 -2.015 1.00 0.00 N ATOM 717 CA ILE A 47 1.894 8.602 -2.953 1.00 0.00 C ATOM 718 C ILE A 47 2.896 9.725 -3.198 1.00 0.00 C ATOM 719 O ILE A 47 3.234 10.474 -2.276 1.00 0.00 O ATOM 720 CB ILE A 47 0.569 9.194 -2.417 1.00 0.00 C ATOM 721 CG1 ILE A 47 -0.481 8.091 -2.251 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.050 10.291 -3.334 1.00 0.00 C ATOM 723 CD1 ILE A 47 -0.845 7.389 -3.543 1.00 0.00 C ATOM 0 H ILE A 47 2.002 7.635 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 47 1.683 8.084 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 47 0.767 9.637 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.109 7.353 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.383 8.524 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.882 10.689 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.788 11.090 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.128 9.880 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.593 6.622 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.249 8.114 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.045 6.925 -3.968 1.00 0.00 H new ATOM 735 N PRO A 48 3.407 9.833 -4.435 1.00 0.00 N ATOM 736 CA PRO A 48 4.379 10.860 -4.801 1.00 0.00 C ATOM 737 C PRO A 48 3.812 12.258 -4.611 1.00 0.00 C ATOM 738 O PRO A 48 2.754 12.594 -5.148 1.00 0.00 O ATOM 739 CB PRO A 48 4.664 10.590 -6.283 1.00 0.00 C ATOM 740 CG PRO A 48 4.220 9.188 -6.516 1.00 0.00 C ATOM 741 CD PRO A 48 3.078 8.961 -5.573 1.00 0.00 C ATOM 0 HA PRO A 48 5.274 10.818 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.121 11.286 -6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.724 10.710 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.908 9.043 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.030 8.484 -6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.123 9.230 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.005 7.916 -5.272 1.00 0.00 H new ATOM 749 N HIS A 49 4.529 13.075 -3.857 1.00 0.00 N ATOM 750 CA HIS A 49 4.074 14.423 -3.538 1.00 0.00 C ATOM 751 C HIS A 49 4.256 15.341 -4.743 1.00 0.00 C ATOM 752 O HIS A 49 3.844 16.500 -4.730 1.00 0.00 O ATOM 753 CB HIS A 49 4.843 14.980 -2.337 1.00 0.00 C ATOM 754 CG HIS A 49 4.607 14.232 -1.055 1.00 0.00 C ATOM 755 ND1 HIS A 49 3.879 14.745 -0.003 1.00 0.00 N ATOM 756 CD2 HIS A 49 5.023 13.007 -0.653 1.00 0.00 C ATOM 757 CE1 HIS A 49 3.859 13.870 0.982 1.00 0.00 C ATOM 758 NE2 HIS A 49 4.547 12.805 0.617 1.00 0.00 N ATOM 0 H HIS A 49 5.432 12.829 -3.452 1.00 0.00 H new ATOM 0 HA HIS A 49 3.015 14.377 -3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.909 14.964 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.563 16.024 -2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.621 12.315 -1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.362 14.003 1.931 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.699 11.971 1.184 1.00 0.00 H new ATOM 767 N GLU A 50 4.883 14.804 -5.778 1.00 0.00 N ATOM 768 CA GLU A 50 5.111 15.535 -7.011 1.00 0.00 C ATOM 769 C GLU A 50 4.198 15.017 -8.118 1.00 0.00 C ATOM 770 O GLU A 50 4.301 15.440 -9.267 1.00 0.00 O ATOM 771 CB GLU A 50 6.572 15.387 -7.437 1.00 0.00 C ATOM 772 CG GLU A 50 7.040 13.938 -7.490 1.00 0.00 C ATOM 773 CD GLU A 50 8.404 13.777 -8.125 1.00 0.00 C ATOM 774 OE1 GLU A 50 8.470 13.632 -9.360 1.00 0.00 O ATOM 775 OE2 GLU A 50 9.413 13.772 -7.389 1.00 0.00 O ATOM 0 H GLU A 50 5.247 13.851 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 50 4.887 16.588 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.705 15.841 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.204 15.941 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.067 13.534 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.314 13.348 -8.049 1.00 0.00 H new ATOM 782 N THR A 51 3.299 14.101 -7.768 1.00 0.00 N ATOM 783 CA THR A 51 2.461 13.452 -8.766 1.00 0.00 C ATOM 784 C THR A 51 1.000 13.371 -8.317 1.00 0.00 C ATOM 785 O THR A 51 0.099 13.799 -9.036 1.00 0.00 O ATOM 786 CB THR A 51 2.993 12.039 -9.079 1.00 0.00 C ATOM 787 OG1 THR A 51 4.411 12.098 -9.297 1.00 0.00 O ATOM 788 CG2 THR A 51 2.312 11.457 -10.307 1.00 0.00 C ATOM 0 H THR A 51 3.134 13.795 -6.809 1.00 0.00 H new ATOM 0 HA THR A 51 2.500 14.061 -9.669 1.00 0.00 H new ATOM 0 HB THR A 51 2.774 11.393 -8.229 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.749 11.200 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.707 10.460 -10.504 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.238 11.394 -10.132 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.502 12.099 -11.167 1.00 0.00 H new ATOM 796 N GLY A 52 0.765 12.822 -7.128 1.00 0.00 N ATOM 797 CA GLY A 52 -0.589 12.750 -6.603 1.00 0.00 C ATOM 798 C GLY A 52 -1.167 11.347 -6.634 1.00 0.00 C ATOM 799 O GLY A 52 -2.130 11.049 -5.929 1.00 0.00 O ATOM 0 H GLY A 52 1.484 12.427 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.594 13.116 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.232 13.414 -7.181 1.00 0.00 H new ATOM 803 N PHE A 53 -0.586 10.485 -7.455 1.00 0.00 N ATOM 804 CA PHE A 53 -1.037 9.102 -7.564 1.00 0.00 C ATOM 805 C PHE A 53 0.138 8.204 -7.924 1.00 0.00 C ATOM 806 O PHE A 53 1.178 8.696 -8.371 1.00 0.00 O ATOM 807 CB PHE A 53 -2.154 8.974 -8.610 1.00 0.00 C ATOM 808 CG PHE A 53 -1.755 9.392 -10.002 1.00 0.00 C ATOM 809 CD1 PHE A 53 -1.821 10.722 -10.387 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.323 8.453 -10.928 1.00 0.00 C ATOM 811 CE1 PHE A 53 -1.461 11.110 -11.664 1.00 0.00 C ATOM 812 CE2 PHE A 53 -0.964 8.834 -12.209 1.00 0.00 C ATOM 813 CZ PHE A 53 -1.032 10.164 -12.575 1.00 0.00 C ATOM 0 H PHE A 53 0.202 10.718 -8.059 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.441 8.788 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.492 7.938 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.004 9.578 -8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.158 11.465 -9.680 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.266 7.412 -10.645 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.515 12.150 -11.949 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.631 8.093 -12.921 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.750 10.465 -13.573 1.00 0.00 H new ATOM 823 N VAL A 54 -0.013 6.898 -7.728 1.00 0.00 N ATOM 824 CA VAL A 54 1.072 5.970 -8.011 1.00 0.00 C ATOM 825 C VAL A 54 0.543 4.570 -8.306 1.00 0.00 C ATOM 826 O VAL A 54 -0.505 4.163 -7.799 1.00 0.00 O ATOM 827 CB VAL A 54 2.073 5.912 -6.830 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.435 5.297 -5.588 1.00 0.00 C ATOM 829 CG2 VAL A 54 3.345 5.164 -7.216 1.00 0.00 C ATOM 0 H VAL A 54 -0.867 6.463 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 54 1.590 6.339 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 54 2.349 6.938 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.165 5.272 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.577 5.897 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.107 4.282 -5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.026 5.141 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.093 4.144 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.826 5.671 -8.052 1.00 0.00 H new ATOM 839 N GLU A 55 1.263 3.857 -9.156 1.00 0.00 N ATOM 840 CA GLU A 55 0.991 2.455 -9.415 1.00 0.00 C ATOM 841 C GLU A 55 2.227 1.645 -9.046 1.00 0.00 C ATOM 842 O GLU A 55 3.339 2.173 -9.051 1.00 0.00 O ATOM 843 CB GLU A 55 0.616 2.233 -10.883 1.00 0.00 C ATOM 844 CG GLU A 55 -0.565 3.075 -11.338 1.00 0.00 C ATOM 845 CD GLU A 55 -1.088 2.675 -12.700 1.00 0.00 C ATOM 846 OE1 GLU A 55 -0.401 2.930 -13.707 1.00 0.00 O ATOM 847 OE2 GLU A 55 -2.202 2.116 -12.771 1.00 0.00 O ATOM 0 H GLU A 55 2.050 4.233 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 55 0.144 2.130 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.478 2.462 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.382 1.179 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.369 2.988 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.268 4.124 -11.363 1.00 0.00 H new ATOM 854 N CYS A 56 2.039 0.379 -8.714 1.00 0.00 N ATOM 855 CA CYS A 56 3.138 -0.442 -8.228 1.00 0.00 C ATOM 856 C CYS A 56 3.860 -1.133 -9.382 1.00 0.00 C ATOM 857 O CYS A 56 3.303 -1.309 -10.464 1.00 0.00 O ATOM 858 CB CYS A 56 2.615 -1.474 -7.225 1.00 0.00 C ATOM 859 SG CYS A 56 3.906 -2.428 -6.387 1.00 0.00 S ATOM 0 H CYS A 56 1.141 -0.102 -8.771 1.00 0.00 H new ATOM 0 HA CYS A 56 3.857 0.206 -7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.015 -0.960 -6.474 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.951 -2.164 -7.746 1.00 0.00 H new ATOM 0 HG CYS A 56 3.357 -3.269 -5.561 1.00 0.00 H new ATOM 865 N GLY A 57 5.114 -1.505 -9.146 1.00 0.00 N ATOM 866 CA GLY A 57 5.870 -2.242 -10.139 1.00 0.00 C ATOM 867 C GLY A 57 5.692 -3.740 -9.977 1.00 0.00 C ATOM 868 O GLY A 57 5.940 -4.511 -10.901 1.00 0.00 O ATOM 0 H GLY A 57 5.620 -1.308 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.550 -1.943 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.927 -1.989 -10.054 1.00 0.00 H new ATOM 872 N TYR A 58 5.254 -4.145 -8.790 1.00 0.00 N ATOM 873 CA TYR A 58 4.997 -5.543 -8.492 1.00 0.00 C ATOM 874 C TYR A 58 3.596 -5.933 -8.942 1.00 0.00 C ATOM 875 O TYR A 58 3.306 -7.112 -9.159 1.00 0.00 O ATOM 876 CB TYR A 58 5.149 -5.789 -6.991 1.00 0.00 C ATOM 877 CG TYR A 58 6.584 -5.880 -6.517 1.00 0.00 C ATOM 878 CD1 TYR A 58 7.354 -4.738 -6.321 1.00 0.00 C ATOM 879 CD2 TYR A 58 7.165 -7.115 -6.258 1.00 0.00 C ATOM 880 CE1 TYR A 58 8.662 -4.827 -5.880 1.00 0.00 C ATOM 881 CE2 TYR A 58 8.469 -7.211 -5.816 1.00 0.00 C ATOM 882 CZ TYR A 58 9.215 -6.066 -5.632 1.00 0.00 C ATOM 883 OH TYR A 58 10.518 -6.161 -5.191 1.00 0.00 O ATOM 0 H TYR A 58 5.069 -3.513 -8.011 1.00 0.00 H new ATOM 0 HA TYR A 58 5.720 -6.155 -9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.650 -4.984 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.634 -6.714 -6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.924 -3.767 -6.516 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.587 -8.015 -6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.247 -3.931 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.903 -8.179 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 58 10.752 -7.104 -5.063 1.00 0.00 H new ATOM 893 N CYS A 59 2.733 -4.937 -9.074 1.00 0.00 N ATOM 894 CA CYS A 59 1.357 -5.167 -9.476 1.00 0.00 C ATOM 895 C CYS A 59 0.780 -3.928 -10.142 1.00 0.00 C ATOM 896 O CYS A 59 1.091 -2.806 -9.755 1.00 0.00 O ATOM 897 CB CYS A 59 0.507 -5.555 -8.267 1.00 0.00 C ATOM 898 SG CYS A 59 0.616 -4.405 -6.879 1.00 0.00 S ATOM 0 H CYS A 59 2.965 -3.958 -8.907 1.00 0.00 H new ATOM 0 HA CYS A 59 1.343 -5.987 -10.194 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.534 -5.631 -8.580 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.811 -6.545 -7.927 1.00 0.00 H new ATOM 0 HG CYS A 59 0.866 -5.065 -5.787 1.00 0.00 H new ATOM 904 N ASP A 60 -0.078 -4.145 -11.124 1.00 0.00 N ATOM 905 CA ASP A 60 -0.686 -3.062 -11.884 1.00 0.00 C ATOM 906 C ASP A 60 -1.826 -2.402 -11.112 1.00 0.00 C ATOM 907 O ASP A 60 -2.814 -1.955 -11.694 1.00 0.00 O ATOM 908 CB ASP A 60 -1.208 -3.584 -13.227 1.00 0.00 C ATOM 909 CG ASP A 60 -0.098 -3.858 -14.221 1.00 0.00 C ATOM 910 OD1 ASP A 60 0.439 -4.986 -14.226 1.00 0.00 O ATOM 911 OD2 ASP A 60 0.248 -2.944 -14.997 1.00 0.00 O ATOM 0 H ASP A 60 -0.374 -5.076 -11.418 1.00 0.00 H new ATOM 0 HA ASP A 60 0.085 -2.311 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.775 -4.500 -13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.898 -2.855 -13.652 1.00 0.00 H new ATOM 916 N ARG A 61 -1.682 -2.334 -9.800 1.00 0.00 N ATOM 917 CA ARG A 61 -2.687 -1.709 -8.957 1.00 0.00 C ATOM 918 C ARG A 61 -2.417 -0.219 -8.869 1.00 0.00 C ATOM 919 O ARG A 61 -1.269 0.207 -8.717 1.00 0.00 O ATOM 920 CB ARG A 61 -2.677 -2.315 -7.558 1.00 0.00 C ATOM 921 CG ARG A 61 -4.022 -2.252 -6.861 1.00 0.00 C ATOM 922 CD ARG A 61 -3.971 -2.904 -5.489 1.00 0.00 C ATOM 923 NE ARG A 61 -5.307 -3.122 -4.935 1.00 0.00 N ATOM 924 CZ ARG A 61 -5.557 -3.340 -3.645 1.00 0.00 C ATOM 925 NH1 ARG A 61 -4.582 -3.237 -2.748 1.00 0.00 N ATOM 926 NH2 ARG A 61 -6.793 -3.620 -3.253 1.00 0.00 N ATOM 0 H ARG A 61 -0.877 -2.705 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.668 -1.882 -9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.359 -3.356 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.937 -1.794 -6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.331 -1.212 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.774 -2.750 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.448 -3.858 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.395 -2.275 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.098 -3.106 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.638 -2.990 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.777 -3.405 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.547 -3.668 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.989 -3.788 -2.266 1.00 0.00 H new ATOM 940 N ARG A 62 -3.475 0.560 -8.952 1.00 0.00 N ATOM 941 CA ARG A 62 -3.355 2.011 -8.958 1.00 0.00 C ATOM 942 C ARG A 62 -3.898 2.596 -7.661 1.00 0.00 C ATOM 943 O ARG A 62 -4.989 2.236 -7.217 1.00 0.00 O ATOM 944 CB ARG A 62 -4.098 2.604 -10.162 1.00 0.00 C ATOM 945 CG ARG A 62 -3.977 4.117 -10.277 1.00 0.00 C ATOM 946 CD ARG A 62 -4.629 4.643 -11.549 1.00 0.00 C ATOM 947 NE ARG A 62 -3.931 4.192 -12.756 1.00 0.00 N ATOM 948 CZ ARG A 62 -3.973 4.826 -13.928 1.00 0.00 C ATOM 949 NH1 ARG A 62 -4.665 5.951 -14.056 1.00 0.00 N ATOM 950 NH2 ARG A 62 -3.308 4.342 -14.972 1.00 0.00 N ATOM 0 H ARG A 62 -4.433 0.216 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.299 2.269 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.713 2.148 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.153 2.338 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.442 4.586 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.924 4.399 -10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.667 4.312 -11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.642 5.733 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.377 3.338 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.168 6.334 -13.256 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.694 6.432 -14.955 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.764 3.484 -14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.341 4.828 -15.868 1.00 0.00 H new ATOM 964 N TYR A 63 -3.134 3.488 -7.052 1.00 0.00 N ATOM 965 CA TYR A 63 -3.555 4.137 -5.824 1.00 0.00 C ATOM 966 C TYR A 63 -3.763 5.626 -6.059 1.00 0.00 C ATOM 967 O TYR A 63 -2.844 6.336 -6.469 1.00 0.00 O ATOM 968 CB TYR A 63 -2.528 3.903 -4.715 1.00 0.00 C ATOM 969 CG TYR A 63 -2.466 2.463 -4.250 1.00 0.00 C ATOM 970 CD1 TYR A 63 -1.740 1.512 -4.957 1.00 0.00 C ATOM 971 CD2 TYR A 63 -3.144 2.052 -3.109 1.00 0.00 C ATOM 972 CE1 TYR A 63 -1.693 0.195 -4.541 1.00 0.00 C ATOM 973 CE2 TYR A 63 -3.099 0.736 -2.685 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.373 -0.188 -3.404 1.00 0.00 C ATOM 975 OH TYR A 63 -2.332 -1.503 -2.988 1.00 0.00 O ATOM 0 H TYR A 63 -2.217 3.779 -7.390 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.503 3.702 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.543 4.205 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.769 4.542 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.203 1.807 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.716 2.772 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.126 -0.531 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.631 0.434 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.402 -1.812 -2.970 1.00 0.00 H new ATOM 985 N ILE A 64 -4.982 6.080 -5.816 1.00 0.00 N ATOM 986 CA ILE A 64 -5.348 7.469 -6.034 1.00 0.00 C ATOM 987 C ILE A 64 -5.647 8.137 -4.699 1.00 0.00 C ATOM 988 O ILE A 64 -6.371 7.580 -3.871 1.00 0.00 O ATOM 989 CB ILE A 64 -6.595 7.590 -6.943 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.373 6.857 -8.272 1.00 0.00 C ATOM 991 CG2 ILE A 64 -6.937 9.056 -7.193 1.00 0.00 C ATOM 992 CD1 ILE A 64 -5.293 7.470 -9.137 1.00 0.00 C ATOM 0 H ILE A 64 -5.742 5.498 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.509 7.960 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.435 7.122 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.113 5.819 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.309 6.846 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.816 9.120 -7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.144 9.549 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.096 9.548 -7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.195 6.896 -10.058 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.560 8.499 -9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.345 7.457 -8.599 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.076 9.313 -4.480 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.346 10.068 -3.267 1.00 0.00 C ATOM 1006 C HIS A 65 -6.780 10.589 -3.294 1.00 0.00 C ATOM 1007 O HIS A 65 -7.284 10.971 -4.353 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.363 11.236 -3.132 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.381 11.881 -1.778 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -5.144 12.997 -1.516 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -3.725 11.522 -0.649 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -4.934 13.285 -0.242 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.082 12.417 0.326 1.00 0.00 N ATOM 0 H HIS A 65 -4.426 9.763 -5.124 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.219 9.410 -2.407 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.355 10.878 -3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.598 11.987 -3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.048 10.688 -0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.391 14.115 0.276 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.762 12.422 1.295 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.423 10.606 -2.133 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.812 11.035 -2.010 1.00 0.00 C ATOM 1023 C GLU A 66 -9.059 12.412 -2.634 1.00 0.00 C ATOM 1024 O GLU A 66 -10.144 12.682 -3.151 1.00 0.00 O ATOM 1025 CB GLU A 66 -9.225 11.053 -0.535 1.00 0.00 C ATOM 1026 CG GLU A 66 -8.308 11.881 0.353 1.00 0.00 C ATOM 1027 CD GLU A 66 -8.910 12.167 1.714 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -9.124 11.213 2.491 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -9.180 13.350 2.013 1.00 0.00 O ATOM 0 H GLU A 66 -6.997 10.323 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.420 10.316 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.240 11.444 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.248 10.029 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.362 11.354 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.082 12.824 -0.145 1.00 0.00 H new ATOM 1036 N SER A 67 -8.050 13.274 -2.612 1.00 0.00 N ATOM 1037 CA SER A 67 -8.203 14.632 -3.118 1.00 0.00 C ATOM 1038 C SER A 67 -8.323 14.643 -4.643 1.00 0.00 C ATOM 1039 O SER A 67 -8.783 15.622 -5.230 1.00 0.00 O ATOM 1040 CB SER A 67 -7.027 15.506 -2.670 1.00 0.00 C ATOM 1041 OG SER A 67 -7.241 16.867 -3.015 1.00 0.00 O ATOM 0 H SER A 67 -7.121 13.058 -2.251 1.00 0.00 H new ATOM 0 HA SER A 67 -9.124 15.043 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.894 15.417 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.108 15.150 -3.135 1.00 0.00 H new ATOM 0 HG SER A 67 -6.477 17.404 -2.717 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.904 13.557 -5.279 1.00 0.00 N ATOM 1048 CA PHE A 68 -8.001 13.432 -6.722 1.00 0.00 C ATOM 1049 C PHE A 68 -9.162 12.522 -7.102 1.00 0.00 C ATOM 1050 O PHE A 68 -9.589 12.476 -8.257 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.696 12.875 -7.279 1.00 0.00 C ATOM 1052 CG PHE A 68 -5.540 13.824 -7.159 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -5.304 14.774 -8.140 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -4.691 13.771 -6.062 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -4.243 15.650 -8.034 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -3.628 14.645 -5.950 1.00 0.00 C ATOM 1057 CZ PHE A 68 -3.405 15.587 -6.936 1.00 0.00 C ATOM 0 H PHE A 68 -7.492 12.748 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.182 14.419 -7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.452 11.950 -6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.838 12.619 -8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.958 14.829 -8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.864 13.038 -5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.068 16.383 -8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.972 14.592 -5.094 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.576 16.274 -6.849 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.681 11.819 -6.112 1.00 0.00 N ATOM 1068 CA ALA A 69 -10.741 10.845 -6.334 1.00 0.00 C ATOM 1069 C ALA A 69 -12.105 11.423 -5.975 1.00 0.00 C ATOM 1070 O ALA A 69 -12.807 10.893 -5.113 1.00 0.00 O ATOM 1071 CB ALA A 69 -10.466 9.581 -5.532 1.00 0.00 C ATOM 0 H ALA A 69 -9.385 11.903 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.757 10.593 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.264 8.859 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.514 9.151 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.422 9.826 -4.471 1.00 0.00 H new ATOM 1077 N ALA A 70 -12.449 12.529 -6.631 1.00 0.00 N ATOM 1078 CA ALA A 70 -13.755 13.179 -6.474 1.00 0.00 C ATOM 1079 C ALA A 70 -13.957 13.721 -5.057 1.00 0.00 C ATOM 1080 O ALA A 70 -15.085 14.017 -4.654 1.00 0.00 O ATOM 1081 CB ALA A 70 -14.885 12.224 -6.845 1.00 0.00 C ATOM 0 H ALA A 70 -11.831 13.004 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.776 14.028 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.843 12.728 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.771 11.912 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.849 11.348 -6.197 1.00 0.00 H new ATOM 1087 N ALA A 71 -12.853 13.854 -4.322 1.00 0.00 N ATOM 1088 CA ALA A 71 -12.857 14.409 -2.966 1.00 0.00 C ATOM 1089 C ALA A 71 -13.569 13.483 -1.979 1.00 0.00 C ATOM 1090 O ALA A 71 -13.922 12.348 -2.308 1.00 0.00 O ATOM 1091 CB ALA A 71 -13.478 15.803 -2.945 1.00 0.00 C ATOM 0 H ALA A 71 -11.927 13.579 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.818 14.494 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.468 16.191 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.904 16.467 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.506 15.749 -3.302 1.00 0.00 H new ATOM 1097 N LYS A 72 -13.780 13.981 -0.769 1.00 0.00 N ATOM 1098 CA LYS A 72 -14.378 13.194 0.296 1.00 0.00 C ATOM 1099 C LYS A 72 -15.472 14.006 0.980 1.00 0.00 C ATOM 1100 O LYS A 72 -15.533 15.227 0.818 1.00 0.00 O ATOM 1101 CB LYS A 72 -13.290 12.776 1.295 1.00 0.00 C ATOM 1102 CG LYS A 72 -13.756 11.823 2.389 1.00 0.00 C ATOM 1103 CD LYS A 72 -12.588 11.346 3.240 1.00 0.00 C ATOM 1104 CE LYS A 72 -11.850 12.508 3.889 1.00 0.00 C ATOM 1105 NZ LYS A 72 -10.596 12.065 4.557 1.00 0.00 N ATOM 0 H LYS A 72 -13.543 14.936 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.831 12.292 -0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.475 12.305 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.883 13.672 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.490 12.323 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.255 10.965 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.954 10.670 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.896 10.776 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.614 13.256 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.500 12.989 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.971 12.884 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.825 11.638 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.114 11.363 3.960 1.00 0.00 H new ATOM 1119 N LEU A 73 -16.332 13.327 1.731 1.00 0.00 N ATOM 1120 CA LEU A 73 -17.446 13.979 2.410 1.00 0.00 C ATOM 1121 C LEU A 73 -16.952 15.010 3.418 1.00 0.00 C ATOM 1122 O LEU A 73 -16.014 14.755 4.177 1.00 0.00 O ATOM 1123 CB LEU A 73 -18.313 12.945 3.129 1.00 0.00 C ATOM 1124 CG LEU A 73 -18.864 11.827 2.243 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -19.658 10.829 3.070 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -19.729 12.407 1.137 1.00 0.00 C ATOM 0 H LEU A 73 -16.278 12.320 1.885 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.040 14.488 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.726 12.496 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.151 13.461 3.599 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.023 11.303 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.041 10.042 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.011 10.390 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.492 11.339 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.114 11.599 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.562 12.955 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.132 13.083 0.525 1.00 0.00 H new ATOM 1138 N GLU A 74 -17.598 16.164 3.419 1.00 0.00 N ATOM 1139 CA GLU A 74 -17.248 17.250 4.321 1.00 0.00 C ATOM 1140 C GLU A 74 -17.950 17.065 5.660 1.00 0.00 C ATOM 1141 O GLU A 74 -19.168 17.220 5.751 1.00 0.00 O ATOM 1142 CB GLU A 74 -17.662 18.588 3.705 1.00 0.00 C ATOM 1143 CG GLU A 74 -17.087 18.824 2.318 1.00 0.00 C ATOM 1144 CD GLU A 74 -17.795 19.941 1.585 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -18.833 19.666 0.944 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -17.319 21.093 1.646 1.00 0.00 O ATOM 0 H GLU A 74 -18.378 16.375 2.796 1.00 0.00 H new ATOM 0 HA GLU A 74 -16.170 17.243 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.750 18.632 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.343 19.396 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.027 19.063 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.161 17.906 1.735 1.00 0.00 H new ATOM 1153 N HIS A 75 -17.196 16.711 6.694 1.00 0.00 N ATOM 1154 CA HIS A 75 -17.777 16.544 8.016 1.00 0.00 C ATOM 1155 C HIS A 75 -16.790 16.933 9.108 1.00 0.00 C ATOM 1156 O HIS A 75 -15.725 16.330 9.247 1.00 0.00 O ATOM 1157 CB HIS A 75 -18.258 15.104 8.225 1.00 0.00 C ATOM 1158 CG HIS A 75 -18.991 14.909 9.518 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -20.258 15.399 9.740 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -18.627 14.285 10.664 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -20.642 15.090 10.964 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -19.670 14.412 11.547 1.00 0.00 N ATOM 0 H HIS A 75 -16.192 16.536 6.642 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.637 17.211 8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -18.910 14.822 7.399 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.399 14.433 8.197 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -17.690 13.781 10.849 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -21.590 15.348 11.413 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -19.691 14.043 12.498 1.00 0.00 H new ATOM 1171 N HIS A 76 -17.153 17.959 9.861 1.00 0.00 N ATOM 1172 CA HIS A 76 -16.399 18.399 11.026 1.00 0.00 C ATOM 1173 C HIS A 76 -17.364 18.957 12.062 1.00 0.00 C ATOM 1174 O HIS A 76 -18.567 19.016 11.815 1.00 0.00 O ATOM 1175 CB HIS A 76 -15.355 19.456 10.647 1.00 0.00 C ATOM 1176 CG HIS A 76 -14.033 18.879 10.234 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -13.677 18.661 8.921 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -12.975 18.479 10.978 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -12.458 18.154 8.875 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -12.011 18.035 10.109 1.00 0.00 N ATOM 0 H HIS A 76 -17.988 18.516 9.679 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.865 17.545 11.442 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.746 20.064 9.831 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -15.201 20.122 11.496 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.903 18.505 12.055 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.920 17.883 7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -11.096 17.671 10.375 1.00 0.00 H new ATOM 1189 N HIS A 77 -16.851 19.358 13.213 1.00 0.00 N ATOM 1190 CA HIS A 77 -17.703 19.865 14.279 1.00 0.00 C ATOM 1191 C HIS A 77 -17.640 21.381 14.339 1.00 0.00 C ATOM 1192 O HIS A 77 -16.582 21.978 14.150 1.00 0.00 O ATOM 1193 CB HIS A 77 -17.303 19.266 15.625 1.00 0.00 C ATOM 1194 CG HIS A 77 -17.558 17.791 15.717 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -18.581 17.248 16.460 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -16.916 16.744 15.146 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -18.557 15.932 16.343 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -17.558 15.600 15.551 1.00 0.00 N ATOM 0 H HIS A 77 -15.855 19.343 13.434 1.00 0.00 H new ATOM 0 HA HIS A 77 -18.729 19.568 14.061 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -16.244 19.456 15.799 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.853 19.773 16.418 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -16.058 16.799 14.493 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.241 15.244 16.817 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -17.303 14.649 15.283 1.00 0.00 H new ATOM 1207 N HIS A 78 -18.777 21.999 14.600 1.00 0.00 N ATOM 1208 CA HIS A 78 -18.866 23.449 14.635 1.00 0.00 C ATOM 1209 C HIS A 78 -19.999 23.884 15.553 1.00 0.00 C ATOM 1210 O HIS A 78 -20.997 23.180 15.690 1.00 0.00 O ATOM 1211 CB HIS A 78 -19.079 24.017 13.218 1.00 0.00 C ATOM 1212 CG HIS A 78 -20.334 23.537 12.530 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -20.333 22.597 11.520 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -21.633 23.883 12.709 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -21.570 22.388 11.113 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -22.375 23.156 11.817 1.00 0.00 N ATOM 0 H HIS A 78 -19.656 21.518 14.792 1.00 0.00 H new ATOM 0 HA HIS A 78 -17.927 23.842 15.024 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -19.107 25.105 13.277 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -18.219 23.753 12.602 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -22.012 24.599 13.423 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -21.871 21.703 10.334 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -23.389 23.202 11.714 1.00 0.00 H new ATOM 1225 N HIS A 79 -19.837 25.035 16.181 1.00 0.00 N ATOM 1226 CA HIS A 79 -20.878 25.589 17.036 1.00 0.00 C ATOM 1227 C HIS A 79 -20.762 27.102 17.070 1.00 0.00 C ATOM 1228 O HIS A 79 -19.759 27.658 16.624 1.00 0.00 O ATOM 1229 CB HIS A 79 -20.805 25.014 18.461 1.00 0.00 C ATOM 1230 CG HIS A 79 -19.547 25.334 19.220 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -18.587 24.391 19.502 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -19.106 26.489 19.778 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -17.616 24.945 20.202 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -17.905 26.220 20.384 1.00 0.00 N ATOM 0 H HIS A 79 -18.995 25.607 16.116 1.00 0.00 H new ATOM 0 HA HIS A 79 -21.845 25.309 16.619 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -21.657 25.387 19.029 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -20.909 23.931 18.404 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.608 27.445 19.750 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.733 24.440 20.565 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -17.331 26.893 20.891 1.00 0.00 H new ATOM 1243 N HIS A 80 -21.778 27.755 17.602 1.00 0.00 N ATOM 1244 CA HIS A 80 -21.778 29.205 17.711 1.00 0.00 C ATOM 1245 C HIS A 80 -21.321 29.634 19.099 1.00 0.00 C ATOM 1246 O HIS A 80 -20.215 30.199 19.213 1.00 0.00 O ATOM 1247 CB HIS A 80 -23.164 29.788 17.378 1.00 0.00 C ATOM 1248 CG HIS A 80 -24.320 29.100 18.047 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -24.691 29.342 19.352 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -25.190 28.175 17.580 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -25.739 28.600 19.655 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -26.061 27.882 18.599 1.00 0.00 N ATOM 1253 OXT HIS A 80 -22.045 29.366 20.078 1.00 0.00 O ATOM 0 H HIS A 80 -22.617 27.304 17.967 1.00 0.00 H new ATOM 0 HA HIS A 80 -21.072 29.601 16.981 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -23.176 30.841 17.659 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -23.310 29.744 16.299 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -24.227 29.994 19.985 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -25.198 27.747 16.589 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -26.247 28.584 20.608 1.00 0.00 H new TER 1262 HIS A 80