USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 410 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 36 HIS : no HE2:sc= -2.01! C(o=-3!,f=-13!) USER MOD Set 1.2: A 46 LYS NZ :NH3+ -118:sc=-0.00757 (180deg=-0.893) USER MOD Set 1.3: A 60 TYR OH : rot 45:sc= -0.993! USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0.00461 USER MOD Set 2.2: A 64 SER OG : rot -150:sc= 0.00492 USER MOD Set 3.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 MET CE :methyl 153:sc= -1.17 (180deg=-2) USER MOD Set 4.1: A 18 SER OG : rot -85:sc= 0.135 USER MOD Set 4.2: A 20 GLN : amide:sc= 0 K(o=0.13,f=-0.94!) USER MOD Single : A 14 SER OG : rot 27:sc= 0.344 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0208 USER MOD Single : A 23 MET CE :methyl 146:sc= 0 (180deg=-0.042) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00844 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 42 GLN : amide:sc= -0.302 K(o=-0.3,f=-0.85) USER MOD Single : A 63 MET CE :methyl -149:sc= -0.0329 (180deg=-1.77!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.0112 (180deg=-0.23) USER MOD Single : A 72 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.6) USER MOD Single : A 76 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.124 -0.686 -8.669 1.00 0.00 N ATOM 24 CA SER A 14 5.820 -1.314 -8.328 1.00 0.00 C ATOM 25 C SER A 14 5.528 -1.065 -6.850 1.00 0.00 C ATOM 26 O SER A 14 6.383 -0.616 -6.113 1.00 0.00 O ATOM 27 CB SER A 14 5.893 -2.821 -8.581 1.00 0.00 C ATOM 28 OG SER A 14 6.496 -3.057 -9.846 1.00 0.00 O ATOM 0 HA SER A 14 5.031 -0.884 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.471 -3.306 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.893 -3.254 -8.556 1.00 0.00 H new ATOM 0 HG SER A 14 7.095 -2.313 -10.067 1.00 0.00 H new ATOM 34 N ILE A 15 4.330 -1.355 -6.411 1.00 0.00 N ATOM 35 CA ILE A 15 3.973 -1.145 -4.973 1.00 0.00 C ATOM 36 C ILE A 15 3.441 -2.453 -4.390 1.00 0.00 C ATOM 37 O ILE A 15 2.557 -3.077 -4.941 1.00 0.00 O ATOM 38 CB ILE A 15 2.892 -0.068 -4.871 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.421 1.240 -5.465 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.530 0.155 -3.402 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.275 2.245 -5.594 1.00 0.00 C ATOM 0 H ILE A 15 3.578 -1.731 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 15 4.856 -0.829 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 15 2.007 -0.389 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.207 1.648 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.866 1.054 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.760 0.923 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.157 -0.775 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.415 0.477 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.653 3.176 -6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.504 1.836 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.850 2.440 -4.610 1.00 0.00 H new ATOM 53 N TRP A 16 3.965 -2.865 -3.267 1.00 0.00 N ATOM 54 CA TRP A 16 3.494 -4.124 -2.621 1.00 0.00 C ATOM 55 C TRP A 16 3.447 -3.877 -1.112 1.00 0.00 C ATOM 56 O TRP A 16 4.429 -3.484 -0.515 1.00 0.00 O ATOM 57 CB TRP A 16 4.483 -5.260 -2.915 1.00 0.00 C ATOM 58 CG TRP A 16 4.609 -5.474 -4.395 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.323 -4.686 -5.229 1.00 0.00 C ATOM 60 CD2 TRP A 16 4.041 -6.538 -5.223 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.228 -5.191 -6.514 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.451 -6.330 -6.561 1.00 0.00 C ATOM 63 CE3 TRP A 16 3.219 -7.649 -4.950 1.00 0.00 C ATOM 64 CZ2 TRP A 16 4.063 -7.190 -7.589 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.827 -8.516 -5.983 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.249 -8.288 -7.300 1.00 0.00 C ATOM 0 H TRP A 16 4.707 -2.378 -2.765 1.00 0.00 H new ATOM 0 HA TRP A 16 2.512 -4.404 -3.003 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.458 -5.020 -2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 16 4.144 -6.179 -2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.877 -3.805 -4.940 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.678 -4.772 -7.328 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.888 -7.835 -3.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.390 -7.008 -8.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.196 -9.364 -5.761 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.946 -8.960 -8.090 1.00 0.00 H new ATOM 77 N CYS A 17 2.310 -4.084 -0.491 1.00 0.00 N ATOM 78 CA CYS A 17 2.194 -3.839 0.984 1.00 0.00 C ATOM 79 C CYS A 17 1.512 -5.027 1.664 1.00 0.00 C ATOM 80 O CYS A 17 0.632 -5.656 1.110 1.00 0.00 O ATOM 81 CB CYS A 17 1.362 -2.576 1.217 1.00 0.00 C ATOM 82 SG CYS A 17 2.280 -1.132 0.625 1.00 0.00 S ATOM 0 H CYS A 17 1.456 -4.412 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 17 3.191 -3.714 1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.409 -2.654 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.136 -2.467 2.278 1.00 0.00 H new ATOM 0 HG CYS A 17 1.573 -0.059 0.820 1.00 0.00 H new ATOM 88 N SER A 18 1.908 -5.327 2.871 1.00 0.00 N ATOM 89 CA SER A 18 1.284 -6.460 3.608 1.00 0.00 C ATOM 90 C SER A 18 -0.132 -6.048 4.036 1.00 0.00 C ATOM 91 O SER A 18 -0.454 -4.877 4.081 1.00 0.00 O ATOM 92 CB SER A 18 2.159 -6.802 4.831 1.00 0.00 C ATOM 93 OG SER A 18 3.027 -5.709 5.097 1.00 0.00 O ATOM 0 H SER A 18 2.641 -4.833 3.380 1.00 0.00 H new ATOM 0 HA SER A 18 1.213 -7.345 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.531 -7.004 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.738 -7.705 4.639 1.00 0.00 H new ATOM 0 HG SER A 18 3.830 -5.786 4.541 1.00 0.00 H new ATOM 99 N PRO A 19 -0.978 -7.003 4.331 1.00 0.00 N ATOM 100 CA PRO A 19 -2.388 -6.728 4.740 1.00 0.00 C ATOM 101 C PRO A 19 -2.463 -6.045 6.108 1.00 0.00 C ATOM 102 O PRO A 19 -3.373 -5.287 6.381 1.00 0.00 O ATOM 103 CB PRO A 19 -3.040 -8.120 4.773 1.00 0.00 C ATOM 104 CG PRO A 19 -1.907 -9.068 5.005 1.00 0.00 C ATOM 105 CD PRO A 19 -0.689 -8.449 4.315 1.00 0.00 C ATOM 0 HA PRO A 19 -2.890 -6.043 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.783 -8.190 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.553 -8.339 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.724 -9.204 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.131 -10.052 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.234 -8.679 4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.571 -8.823 3.298 1.00 0.00 H new ATOM 113 N GLN A 20 -1.508 -6.286 6.963 1.00 0.00 N ATOM 114 CA GLN A 20 -1.538 -5.623 8.289 1.00 0.00 C ATOM 115 C GLN A 20 -1.482 -4.112 8.060 1.00 0.00 C ATOM 116 O GLN A 20 -2.195 -3.344 8.683 1.00 0.00 O ATOM 117 CB GLN A 20 -0.327 -6.086 9.110 1.00 0.00 C ATOM 118 CG GLN A 20 0.961 -5.502 8.519 1.00 0.00 C ATOM 119 CD GLN A 20 2.173 -6.249 9.080 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.070 -6.935 10.077 1.00 0.00 O ATOM 121 NE2 GLN A 20 3.326 -6.148 8.475 1.00 0.00 N ATOM 0 H GLN A 20 -0.716 -6.908 6.800 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.446 -5.880 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.438 -5.769 10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.274 -7.175 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.943 -5.583 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.033 -4.441 8.758 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.414 -5.572 7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.139 -6.645 8.840 1.00 0.00 H new ATOM 130 N GLU A 21 -0.653 -3.684 7.146 1.00 0.00 N ATOM 131 CA GLU A 21 -0.560 -2.231 6.852 1.00 0.00 C ATOM 132 C GLU A 21 -1.903 -1.755 6.302 1.00 0.00 C ATOM 133 O GLU A 21 -2.403 -0.711 6.670 1.00 0.00 O ATOM 134 CB GLU A 21 0.530 -1.990 5.804 1.00 0.00 C ATOM 135 CG GLU A 21 1.908 -2.255 6.417 1.00 0.00 C ATOM 136 CD GLU A 21 2.206 -1.207 7.491 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.652 -0.125 7.404 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.980 -1.508 8.384 1.00 0.00 O ATOM 0 H GLU A 21 -0.038 -4.280 6.592 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.313 -1.684 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.372 -2.643 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.476 -0.964 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.937 -3.254 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.674 -2.223 5.642 1.00 0.00 H new ATOM 145 N ILE A 22 -2.499 -2.526 5.431 1.00 0.00 N ATOM 146 CA ILE A 22 -3.817 -2.125 4.871 1.00 0.00 C ATOM 147 C ILE A 22 -4.874 -2.237 5.968 1.00 0.00 C ATOM 148 O ILE A 22 -5.755 -1.407 6.084 1.00 0.00 O ATOM 149 CB ILE A 22 -4.186 -3.042 3.705 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.148 -2.885 2.592 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.568 -2.655 3.171 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.359 -3.967 1.531 1.00 0.00 C ATOM 0 H ILE A 22 -2.130 -3.412 5.086 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.766 -1.098 4.509 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.205 -4.078 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.233 -1.897 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.143 -2.960 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.833 -3.308 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.307 -2.761 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.549 -1.621 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.617 -3.851 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.251 -4.951 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.359 -3.871 1.107 1.00 0.00 H new ATOM 164 N MET A 23 -4.800 -3.265 6.771 1.00 0.00 N ATOM 165 CA MET A 23 -5.795 -3.456 7.861 1.00 0.00 C ATOM 166 C MET A 23 -5.935 -2.173 8.680 1.00 0.00 C ATOM 167 O MET A 23 -6.959 -1.928 9.287 1.00 0.00 O ATOM 168 CB MET A 23 -5.300 -4.599 8.755 1.00 0.00 C ATOM 169 CG MET A 23 -6.378 -5.001 9.765 1.00 0.00 C ATOM 170 SD MET A 23 -6.405 -3.815 11.135 1.00 0.00 S ATOM 171 CE MET A 23 -5.067 -4.544 12.115 1.00 0.00 C ATOM 0 H MET A 23 -4.083 -3.988 6.715 1.00 0.00 H new ATOM 0 HA MET A 23 -6.772 -3.697 7.442 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.032 -5.458 8.140 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.397 -4.290 9.282 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.353 -5.031 9.278 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.180 -6.004 10.143 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.515 -3.753 12.622 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.487 -5.225 12.855 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.393 -5.093 11.458 1.00 0.00 H new ATOM 181 N ALA A 24 -4.927 -1.347 8.705 1.00 0.00 N ATOM 182 CA ALA A 24 -5.032 -0.084 9.493 1.00 0.00 C ATOM 183 C ALA A 24 -5.874 0.936 8.718 1.00 0.00 C ATOM 184 O ALA A 24 -6.163 2.012 9.203 1.00 0.00 O ATOM 185 CB ALA A 24 -3.633 0.488 9.729 1.00 0.00 C ATOM 0 H ALA A 24 -4.041 -1.488 8.219 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.507 -0.294 10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.709 1.411 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.033 -0.235 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.159 0.697 8.770 1.00 0.00 H new ATOM 191 N ALA A 25 -6.268 0.609 7.514 1.00 0.00 N ATOM 192 CA ALA A 25 -7.091 1.561 6.708 1.00 0.00 C ATOM 193 C ALA A 25 -8.568 1.438 7.103 1.00 0.00 C ATOM 194 O ALA A 25 -9.121 0.357 7.143 1.00 0.00 O ATOM 195 CB ALA A 25 -6.933 1.235 5.223 1.00 0.00 C ATOM 0 H ALA A 25 -6.055 -0.276 7.054 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.753 2.579 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.532 1.928 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.885 1.329 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.269 0.215 5.037 1.00 0.00 H new ATOM 201 N ASP A 26 -9.212 2.540 7.390 1.00 0.00 N ATOM 202 CA ASP A 26 -10.654 2.490 7.776 1.00 0.00 C ATOM 203 C ASP A 26 -11.491 1.919 6.626 1.00 0.00 C ATOM 204 O ASP A 26 -12.414 1.158 6.837 1.00 0.00 O ATOM 205 CB ASP A 26 -11.147 3.902 8.102 1.00 0.00 C ATOM 206 CG ASP A 26 -10.512 4.378 9.408 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.047 3.537 10.160 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.506 5.577 9.639 1.00 0.00 O ATOM 0 H ASP A 26 -8.801 3.473 7.374 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.761 1.849 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.890 4.584 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.233 3.907 8.191 1.00 0.00 H new ATOM 213 N GLY A 27 -11.183 2.290 5.413 1.00 0.00 N ATOM 214 CA GLY A 27 -11.969 1.779 4.251 1.00 0.00 C ATOM 215 C GLY A 27 -11.916 0.251 4.220 1.00 0.00 C ATOM 216 O GLY A 27 -12.689 -0.390 3.538 1.00 0.00 O ATOM 0 H GLY A 27 -10.421 2.925 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.003 2.114 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.568 2.185 3.322 1.00 0.00 H new ATOM 220 N MET A 28 -11.002 -0.333 4.954 1.00 0.00 N ATOM 221 CA MET A 28 -10.875 -1.825 4.979 1.00 0.00 C ATOM 222 C MET A 28 -10.839 -2.289 6.441 1.00 0.00 C ATOM 223 O MET A 28 -9.787 -2.560 6.986 1.00 0.00 O ATOM 224 CB MET A 28 -9.573 -2.213 4.275 1.00 0.00 C ATOM 225 CG MET A 28 -9.489 -1.461 2.943 1.00 0.00 C ATOM 226 SD MET A 28 -8.238 -2.223 1.885 1.00 0.00 S ATOM 227 CE MET A 28 -8.553 -1.201 0.426 1.00 0.00 C ATOM 0 H MET A 28 -10.332 0.163 5.542 1.00 0.00 H new ATOM 0 HA MET A 28 -11.717 -2.295 4.471 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.717 -1.966 4.902 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.543 -3.289 4.104 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.458 -1.477 2.445 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.239 -0.415 3.121 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.880 -1.498 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.585 -1.336 0.104 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.384 -0.153 0.673 1.00 0.00 H new ATOM 237 N PRO A 29 -11.986 -2.353 7.078 1.00 0.00 N ATOM 238 CA PRO A 29 -12.104 -2.759 8.512 1.00 0.00 C ATOM 239 C PRO A 29 -12.117 -4.275 8.710 1.00 0.00 C ATOM 240 O PRO A 29 -12.196 -5.036 7.766 1.00 0.00 O ATOM 241 CB PRO A 29 -13.455 -2.177 8.910 1.00 0.00 C ATOM 242 CG PRO A 29 -14.274 -2.308 7.670 1.00 0.00 C ATOM 243 CD PRO A 29 -13.314 -2.048 6.504 1.00 0.00 C ATOM 0 HA PRO A 29 -11.257 -2.408 9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.898 -2.724 9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.366 -1.137 9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.717 -3.301 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.096 -1.592 7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.538 -2.686 5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.374 -1.017 6.156 1.00 0.00 H new ATOM 251 N GLY A 30 -12.021 -4.713 9.940 1.00 0.00 N ATOM 252 CA GLY A 30 -12.008 -6.174 10.234 1.00 0.00 C ATOM 253 C GLY A 30 -10.582 -6.557 10.599 1.00 0.00 C ATOM 254 O GLY A 30 -9.660 -5.795 10.383 1.00 0.00 O ATOM 0 H GLY A 30 -11.950 -4.112 10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.688 -6.406 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.347 -6.742 9.368 1.00 0.00 H new ATOM 258 N SER A 31 -10.372 -7.712 11.154 1.00 0.00 N ATOM 259 CA SER A 31 -8.987 -8.096 11.525 1.00 0.00 C ATOM 260 C SER A 31 -8.193 -8.347 10.247 1.00 0.00 C ATOM 261 O SER A 31 -8.625 -8.000 9.165 1.00 0.00 O ATOM 262 CB SER A 31 -9.017 -9.369 12.371 1.00 0.00 C ATOM 263 OG SER A 31 -9.846 -10.336 11.740 1.00 0.00 O ATOM 0 H SER A 31 -11.092 -8.402 11.366 1.00 0.00 H new ATOM 0 HA SER A 31 -8.520 -7.298 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.008 -9.762 12.492 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.394 -9.147 13.369 1.00 0.00 H new ATOM 0 HG SER A 31 -9.865 -11.153 12.280 1.00 0.00 H new ATOM 269 N VAL A 32 -7.032 -8.923 10.352 1.00 0.00 N ATOM 270 CA VAL A 32 -6.229 -9.158 9.125 1.00 0.00 C ATOM 271 C VAL A 32 -7.051 -10.000 8.148 1.00 0.00 C ATOM 272 O VAL A 32 -7.192 -9.657 6.990 1.00 0.00 O ATOM 273 CB VAL A 32 -4.939 -9.894 9.486 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.053 -9.986 8.247 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.201 -9.126 10.588 1.00 0.00 C ATOM 0 H VAL A 32 -6.608 -9.238 11.224 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.973 -8.204 8.663 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.176 -10.896 9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.131 -10.510 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.579 -10.531 7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.816 -8.982 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.281 -9.652 10.845 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.959 -8.124 10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.837 -9.055 11.471 1.00 0.00 H new ATOM 285 N ALA A 33 -7.610 -11.090 8.597 1.00 0.00 N ATOM 286 CA ALA A 33 -8.434 -11.928 7.682 1.00 0.00 C ATOM 287 C ALA A 33 -9.617 -11.097 7.176 1.00 0.00 C ATOM 288 O ALA A 33 -10.045 -11.229 6.049 1.00 0.00 O ATOM 289 CB ALA A 33 -8.952 -13.156 8.433 1.00 0.00 C ATOM 0 H ALA A 33 -7.532 -11.435 9.554 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.827 -12.257 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.554 -13.767 7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.108 -13.742 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.563 -12.835 9.277 1.00 0.00 H new ATOM 295 N GLY A 34 -10.153 -10.243 8.004 1.00 0.00 N ATOM 296 CA GLY A 34 -11.309 -9.412 7.565 1.00 0.00 C ATOM 297 C GLY A 34 -10.962 -8.718 6.249 1.00 0.00 C ATOM 298 O GLY A 34 -11.783 -8.605 5.363 1.00 0.00 O ATOM 0 H GLY A 34 -9.842 -10.085 8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.193 -10.037 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.549 -8.671 8.328 1.00 0.00 H new ATOM 302 N VAL A 35 -9.750 -8.264 6.100 1.00 0.00 N ATOM 303 CA VAL A 35 -9.369 -7.599 4.825 1.00 0.00 C ATOM 304 C VAL A 35 -9.466 -8.624 3.693 1.00 0.00 C ATOM 305 O VAL A 35 -9.918 -8.325 2.605 1.00 0.00 O ATOM 306 CB VAL A 35 -7.931 -7.082 4.930 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.437 -6.622 3.553 1.00 0.00 C ATOM 308 CG2 VAL A 35 -7.893 -5.900 5.904 1.00 0.00 C ATOM 0 H VAL A 35 -9.011 -8.324 6.801 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.036 -6.760 4.625 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.285 -7.883 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.414 -6.256 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.466 -7.460 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.079 -5.822 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.872 -5.527 5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.542 -5.105 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.238 -6.226 6.885 1.00 0.00 H new ATOM 318 N HIS A 36 -9.049 -9.834 3.948 1.00 0.00 N ATOM 319 CA HIS A 36 -9.121 -10.885 2.899 1.00 0.00 C ATOM 320 C HIS A 36 -10.578 -11.068 2.483 1.00 0.00 C ATOM 321 O HIS A 36 -10.875 -11.339 1.337 1.00 0.00 O ATOM 322 CB HIS A 36 -8.550 -12.196 3.438 1.00 0.00 C ATOM 323 CG HIS A 36 -7.074 -12.024 3.669 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.569 -11.118 4.589 1.00 0.00 N ATOM 325 CD2 HIS A 36 -5.982 -12.629 3.103 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.227 -11.205 4.546 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.817 -12.112 3.658 1.00 0.00 N ATOM 0 H HIS A 36 -8.661 -10.139 4.841 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.533 -10.586 2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.048 -12.470 4.368 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.729 -13.005 2.730 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.115 -10.499 5.189 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.021 -13.393 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.562 -10.612 5.157 1.00 0.00 H new ATOM 335 N TYR A 37 -11.498 -10.903 3.398 1.00 0.00 N ATOM 336 CA TYR A 37 -12.929 -11.051 3.021 1.00 0.00 C ATOM 337 C TYR A 37 -13.234 -10.023 1.937 1.00 0.00 C ATOM 338 O TYR A 37 -13.786 -10.336 0.902 1.00 0.00 O ATOM 339 CB TYR A 37 -13.828 -10.788 4.228 1.00 0.00 C ATOM 340 CG TYR A 37 -15.269 -10.870 3.790 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.912 -9.727 3.297 1.00 0.00 C ATOM 342 CD2 TYR A 37 -15.958 -12.086 3.864 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.246 -9.801 2.881 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.293 -12.160 3.446 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.937 -11.016 2.956 1.00 0.00 C ATOM 346 OH TYR A 37 -19.252 -11.087 2.544 1.00 0.00 O ATOM 0 H TYR A 37 -11.321 -10.675 4.376 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.115 -12.064 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.630 -11.519 5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.617 -9.805 4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.379 -8.790 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.461 -12.967 4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.743 -8.920 2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.825 -13.098 3.501 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.583 -12.002 2.661 1.00 0.00 H new ATOM 356 N ARG A 38 -12.849 -8.797 2.157 1.00 0.00 N ATOM 357 CA ARG A 38 -13.084 -7.749 1.131 1.00 0.00 C ATOM 358 C ARG A 38 -12.357 -8.156 -0.154 1.00 0.00 C ATOM 359 O ARG A 38 -12.900 -8.095 -1.238 1.00 0.00 O ATOM 360 CB ARG A 38 -12.525 -6.415 1.646 1.00 0.00 C ATOM 361 CG ARG A 38 -12.737 -5.295 0.615 1.00 0.00 C ATOM 362 CD ARG A 38 -14.230 -5.060 0.341 1.00 0.00 C ATOM 363 NE ARG A 38 -15.005 -5.093 1.615 1.00 0.00 N ATOM 364 CZ ARG A 38 -16.212 -4.595 1.653 1.00 0.00 C ATOM 365 NH1 ARG A 38 -16.734 -4.065 0.580 1.00 0.00 N ATOM 366 NH2 ARG A 38 -16.897 -4.628 2.763 1.00 0.00 N ATOM 0 H ARG A 38 -12.381 -8.477 3.005 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.150 -7.639 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.014 -6.149 2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.461 -6.521 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.283 -4.373 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.231 -5.554 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.369 -4.097 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.606 -5.823 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.594 -5.503 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.199 -4.040 -0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.677 -3.676 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.490 -5.043 3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.839 -4.239 2.792 1.00 0.00 H new ATOM 380 N ALA A 39 -11.123 -8.567 -0.029 1.00 0.00 N ATOM 381 CA ALA A 39 -10.336 -8.980 -1.225 1.00 0.00 C ATOM 382 C ALA A 39 -10.776 -10.373 -1.685 1.00 0.00 C ATOM 383 O ALA A 39 -10.256 -10.911 -2.642 1.00 0.00 O ATOM 384 CB ALA A 39 -8.850 -9.010 -0.865 1.00 0.00 C ATOM 0 H ALA A 39 -10.624 -8.634 0.858 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.507 -8.267 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.270 -9.312 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.533 -8.018 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.686 -9.722 -0.056 1.00 0.00 H new ATOM 390 N ASN A 40 -11.743 -10.953 -1.029 1.00 0.00 N ATOM 391 CA ASN A 40 -12.223 -12.300 -1.456 1.00 0.00 C ATOM 392 C ASN A 40 -13.070 -12.145 -2.722 1.00 0.00 C ATOM 393 O ASN A 40 -12.994 -12.940 -3.638 1.00 0.00 O ATOM 394 CB ASN A 40 -13.064 -12.927 -0.345 1.00 0.00 C ATOM 395 CG ASN A 40 -13.369 -14.385 -0.695 1.00 0.00 C ATOM 396 OD1 ASN A 40 -13.367 -14.757 -1.850 1.00 0.00 O ATOM 397 ND2 ASN A 40 -13.630 -15.232 0.264 1.00 0.00 N ATOM 0 H ASN A 40 -12.220 -10.556 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.370 -12.947 -1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.530 -12.874 0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.993 -12.370 -0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.832 -16.207 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.632 -14.919 1.235 1.00 0.00 H new ATOM 404 N VAL A 41 -13.875 -11.118 -2.771 1.00 0.00 N ATOM 405 CA VAL A 41 -14.734 -10.893 -3.970 1.00 0.00 C ATOM 406 C VAL A 41 -13.843 -10.486 -5.146 1.00 0.00 C ATOM 407 O VAL A 41 -13.987 -10.974 -6.250 1.00 0.00 O ATOM 408 CB VAL A 41 -15.732 -9.765 -3.677 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.449 -9.353 -4.967 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.766 -10.243 -2.650 1.00 0.00 C ATOM 0 H VAL A 41 -13.975 -10.423 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.279 -11.805 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.190 -8.908 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.156 -8.552 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.717 -9.004 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.986 -10.210 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.473 -9.439 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.302 -11.105 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.259 -10.525 -1.727 1.00 0.00 H new ATOM 420 N GLN A 42 -12.926 -9.587 -4.913 1.00 0.00 N ATOM 421 CA GLN A 42 -12.018 -9.124 -6.003 1.00 0.00 C ATOM 422 C GLN A 42 -10.725 -9.940 -5.969 1.00 0.00 C ATOM 423 O GLN A 42 -10.394 -10.545 -4.968 1.00 0.00 O ATOM 424 CB GLN A 42 -11.698 -7.644 -5.789 1.00 0.00 C ATOM 425 CG GLN A 42 -12.998 -6.838 -5.818 1.00 0.00 C ATOM 426 CD GLN A 42 -13.625 -6.921 -7.212 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.929 -6.870 -8.207 1.00 0.00 O ATOM 428 NE2 GLN A 42 -14.917 -7.060 -7.326 1.00 0.00 N ATOM 0 H GLN A 42 -12.765 -9.149 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.502 -9.258 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.191 -7.504 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.020 -7.290 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.693 -7.224 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.798 -5.798 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.501 -7.103 -6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.343 -7.126 -8.250 1.00 0.00 H new ATOM 437 N GLY A 43 -9.999 -9.971 -7.060 1.00 0.00 N ATOM 438 CA GLY A 43 -8.722 -10.759 -7.113 1.00 0.00 C ATOM 439 C GLY A 43 -7.530 -9.818 -7.314 1.00 0.00 C ATOM 440 O GLY A 43 -6.820 -9.907 -8.296 1.00 0.00 O ATOM 0 H GLY A 43 -10.236 -9.482 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.597 -11.325 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.766 -11.482 -7.927 1.00 0.00 H new ATOM 444 N TRP A 44 -7.293 -8.924 -6.391 1.00 0.00 N ATOM 445 CA TRP A 44 -6.135 -7.995 -6.537 1.00 0.00 C ATOM 446 C TRP A 44 -4.876 -8.814 -6.816 1.00 0.00 C ATOM 447 O TRP A 44 -4.880 -10.025 -6.717 1.00 0.00 O ATOM 448 CB TRP A 44 -5.911 -7.217 -5.237 1.00 0.00 C ATOM 449 CG TRP A 44 -7.189 -6.628 -4.736 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.345 -6.525 -5.431 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.445 -6.058 -3.425 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.298 -5.929 -4.620 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.787 -5.623 -3.372 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.641 -5.881 -2.288 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.315 -5.032 -2.224 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.162 -5.289 -1.134 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.499 -4.864 -1.099 1.00 0.00 C ATOM 0 H TRP A 44 -7.849 -8.797 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.342 -7.301 -7.352 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.491 -7.880 -4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.183 -6.424 -5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.500 -6.853 -6.448 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.258 -5.739 -4.908 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.611 -6.205 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.345 -4.707 -2.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.533 -5.158 -0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.898 -4.408 -0.205 1.00 0.00 H new ATOM 468 N THR A 45 -3.783 -8.168 -7.121 1.00 0.00 N ATOM 469 CA THR A 45 -2.528 -8.932 -7.350 1.00 0.00 C ATOM 470 C THR A 45 -2.002 -9.352 -5.980 1.00 0.00 C ATOM 471 O THR A 45 -1.754 -8.527 -5.121 1.00 0.00 O ATOM 472 CB THR A 45 -1.495 -8.049 -8.060 1.00 0.00 C ATOM 473 OG1 THR A 45 -1.918 -7.810 -9.394 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.130 -8.749 -8.073 1.00 0.00 C ATOM 0 H THR A 45 -3.706 -7.156 -7.220 1.00 0.00 H new ATOM 0 HA THR A 45 -2.714 -9.803 -7.979 1.00 0.00 H new ATOM 0 HB THR A 45 -1.405 -7.102 -7.528 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.260 -7.244 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.599 -8.116 -8.579 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.196 -8.930 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.213 -9.699 -8.601 1.00 0.00 H new ATOM 482 N LYS A 46 -1.857 -10.633 -5.763 1.00 0.00 N ATOM 483 CA LYS A 46 -1.379 -11.135 -4.439 1.00 0.00 C ATOM 484 C LYS A 46 -0.218 -12.096 -4.658 1.00 0.00 C ATOM 485 O LYS A 46 -0.095 -12.705 -5.702 1.00 0.00 O ATOM 486 CB LYS A 46 -2.527 -11.884 -3.758 1.00 0.00 C ATOM 487 CG LYS A 46 -3.610 -10.886 -3.353 1.00 0.00 C ATOM 488 CD LYS A 46 -4.905 -11.635 -3.006 1.00 0.00 C ATOM 489 CE LYS A 46 -4.714 -12.508 -1.751 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.980 -12.516 -0.965 1.00 0.00 N ATOM 0 H LYS A 46 -2.051 -11.360 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.052 -10.301 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.940 -12.632 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.160 -12.416 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.276 -10.302 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.792 -10.183 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.710 -10.920 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.205 -12.260 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.443 -13.524 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.897 -12.119 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.809 -12.099 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.703 -11.960 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.313 -13.495 -0.853 1.00 0.00 H new ATOM 504 N ARG A 47 0.636 -12.244 -3.680 1.00 0.00 N ATOM 505 CA ARG A 47 1.790 -13.177 -3.835 1.00 0.00 C ATOM 506 C ARG A 47 2.089 -13.867 -2.503 1.00 0.00 C ATOM 507 O ARG A 47 2.197 -13.241 -1.466 1.00 0.00 O ATOM 508 CB ARG A 47 3.026 -12.400 -4.316 1.00 0.00 C ATOM 509 CG ARG A 47 3.282 -11.186 -3.415 1.00 0.00 C ATOM 510 CD ARG A 47 4.598 -10.519 -3.824 1.00 0.00 C ATOM 511 NE ARG A 47 5.727 -11.448 -3.521 1.00 0.00 N ATOM 512 CZ ARG A 47 6.926 -11.195 -3.969 1.00 0.00 C ATOM 513 NH1 ARG A 47 7.158 -10.101 -4.641 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.899 -12.032 -3.731 1.00 0.00 N ATOM 0 H ARG A 47 0.585 -11.761 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 47 1.537 -13.937 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.898 -13.054 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.879 -12.072 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.459 -10.476 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.328 -11.497 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.584 -10.278 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.728 -9.580 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 47 5.560 -12.284 -2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.401 -9.441 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.096 -9.906 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.721 -12.882 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.837 -11.836 -4.080 1.00 0.00 H new ATOM 678 N VAL A 58 2.820 -12.388 3.224 1.00 0.00 N ATOM 679 CA VAL A 58 1.869 -12.209 2.079 1.00 0.00 C ATOM 680 C VAL A 58 1.815 -10.719 1.725 1.00 0.00 C ATOM 681 O VAL A 58 1.899 -9.874 2.594 1.00 0.00 O ATOM 682 CB VAL A 58 0.476 -12.698 2.488 1.00 0.00 C ATOM 683 CG1 VAL A 58 0.482 -14.224 2.595 1.00 0.00 C ATOM 684 CG2 VAL A 58 0.101 -12.099 3.846 1.00 0.00 C ATOM 0 HA VAL A 58 2.204 -12.785 1.216 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.251 -12.386 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.509 -14.572 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.749 -14.655 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.210 -14.533 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.890 -12.447 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.829 -12.411 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.097 -11.011 3.775 1.00 0.00 H new ATOM 694 N GLU A 59 1.709 -10.384 0.457 1.00 0.00 N ATOM 695 CA GLU A 59 1.689 -8.933 0.058 1.00 0.00 C ATOM 696 C GLU A 59 0.534 -8.630 -0.904 1.00 0.00 C ATOM 697 O GLU A 59 0.071 -9.484 -1.638 1.00 0.00 O ATOM 698 CB GLU A 59 3.018 -8.592 -0.616 1.00 0.00 C ATOM 699 CG GLU A 59 4.139 -8.670 0.423 1.00 0.00 C ATOM 700 CD GLU A 59 5.479 -8.332 -0.233 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.515 -8.243 -1.449 1.00 0.00 O ATOM 702 OE2 GLU A 59 6.445 -8.167 0.493 1.00 0.00 O ATOM 0 H GLU A 59 1.636 -11.047 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 59 1.545 -8.328 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.214 -9.285 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.975 -7.593 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.939 -7.977 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.177 -9.670 0.855 1.00 0.00 H new ATOM 709 N TYR A 60 0.075 -7.397 -0.895 1.00 0.00 N ATOM 710 CA TYR A 60 -1.048 -6.961 -1.785 1.00 0.00 C ATOM 711 C TYR A 60 -0.614 -5.676 -2.512 1.00 0.00 C ATOM 712 O TYR A 60 0.123 -4.879 -1.968 1.00 0.00 O ATOM 713 CB TYR A 60 -2.271 -6.656 -0.918 1.00 0.00 C ATOM 714 CG TYR A 60 -2.799 -7.934 -0.304 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.131 -8.522 0.777 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.962 -8.525 -0.809 1.00 0.00 C ATOM 717 CE1 TYR A 60 -2.627 -9.701 1.349 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.455 -9.704 -0.238 1.00 0.00 C ATOM 719 CZ TYR A 60 -3.788 -10.290 0.841 1.00 0.00 C ATOM 720 OH TYR A 60 -4.275 -11.451 1.404 1.00 0.00 O ATOM 0 H TYR A 60 0.442 -6.660 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.292 -7.740 -2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.004 -5.949 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.047 -6.185 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.234 -8.067 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.480 -8.071 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.112 -10.155 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.351 -10.161 -0.631 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.260 -11.372 2.381 1.00 0.00 H new ATOM 730 N ASP A 61 -1.044 -5.469 -3.737 1.00 0.00 N ATOM 731 CA ASP A 61 -0.627 -4.230 -4.486 1.00 0.00 C ATOM 732 C ASP A 61 -1.732 -3.169 -4.451 1.00 0.00 C ATOM 733 O ASP A 61 -2.831 -3.389 -4.920 1.00 0.00 O ATOM 734 CB ASP A 61 -0.343 -4.588 -5.944 1.00 0.00 C ATOM 735 CG ASP A 61 0.933 -5.425 -6.026 1.00 0.00 C ATOM 736 OD1 ASP A 61 1.714 -5.366 -5.092 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.108 -6.107 -7.021 1.00 0.00 O ATOM 0 H ASP A 61 -1.662 -6.098 -4.250 1.00 0.00 H new ATOM 0 HA ASP A 61 0.267 -3.829 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.182 -5.143 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.234 -3.680 -6.537 1.00 0.00 H new ATOM 742 N VAL A 62 -1.441 -2.010 -3.918 1.00 0.00 N ATOM 743 CA VAL A 62 -2.458 -0.917 -3.870 1.00 0.00 C ATOM 744 C VAL A 62 -2.746 -0.418 -5.290 1.00 0.00 C ATOM 745 O VAL A 62 -3.817 0.076 -5.582 1.00 0.00 O ATOM 746 CB VAL A 62 -1.918 0.238 -3.025 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.981 1.332 -2.910 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.563 -0.276 -1.627 1.00 0.00 C ATOM 0 H VAL A 62 -0.536 -1.773 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.379 -1.297 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.027 0.648 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.594 2.154 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.234 1.699 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.874 0.924 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.178 0.546 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.454 -0.687 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.803 -1.054 -1.707 1.00 0.00 H new ATOM 758 N MET A 63 -1.785 -0.525 -6.166 1.00 0.00 N ATOM 759 CA MET A 63 -1.976 -0.041 -7.564 1.00 0.00 C ATOM 760 C MET A 63 -2.940 -0.972 -8.310 1.00 0.00 C ATOM 761 O MET A 63 -3.263 -0.750 -9.461 1.00 0.00 O ATOM 762 CB MET A 63 -0.612 -0.031 -8.271 1.00 0.00 C ATOM 763 CG MET A 63 -0.655 0.882 -9.502 1.00 0.00 C ATOM 764 SD MET A 63 -0.700 2.613 -8.976 1.00 0.00 S ATOM 765 CE MET A 63 1.090 2.856 -8.839 1.00 0.00 C ATOM 0 H MET A 63 -0.869 -0.930 -5.972 1.00 0.00 H new ATOM 0 HA MET A 63 -2.397 0.964 -7.554 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.159 0.313 -7.582 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.343 -1.044 -8.571 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.219 0.705 -10.129 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.533 0.653 -10.106 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.299 3.585 -8.056 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.568 1.908 -8.590 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.481 3.221 -9.789 1.00 0.00 H new ATOM 775 N SER A 64 -3.405 -2.017 -7.670 1.00 0.00 N ATOM 776 CA SER A 64 -4.344 -2.966 -8.352 1.00 0.00 C ATOM 777 C SER A 64 -5.784 -2.703 -7.899 1.00 0.00 C ATOM 778 O SER A 64 -6.725 -3.031 -8.593 1.00 0.00 O ATOM 779 CB SER A 64 -3.959 -4.398 -7.987 1.00 0.00 C ATOM 780 OG SER A 64 -2.687 -4.698 -8.544 1.00 0.00 O ATOM 0 H SER A 64 -3.176 -2.255 -6.705 1.00 0.00 H new ATOM 0 HA SER A 64 -4.277 -2.821 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.931 -4.515 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.707 -5.095 -8.363 1.00 0.00 H new ATOM 0 HG SER A 64 -2.637 -5.655 -8.748 1.00 0.00 H new ATOM 786 N MET A 65 -5.973 -2.101 -6.754 1.00 0.00 N ATOM 787 CA MET A 65 -7.363 -1.812 -6.291 1.00 0.00 C ATOM 788 C MET A 65 -7.877 -0.553 -7.007 1.00 0.00 C ATOM 789 O MET A 65 -7.102 0.322 -7.337 1.00 0.00 O ATOM 790 CB MET A 65 -7.373 -1.574 -4.772 1.00 0.00 C ATOM 791 CG MET A 65 -7.099 -2.884 -4.013 1.00 0.00 C ATOM 792 SD MET A 65 -5.313 -3.091 -3.780 1.00 0.00 S ATOM 793 CE MET A 65 -5.213 -2.489 -2.072 1.00 0.00 C ATOM 0 H MET A 65 -5.231 -1.799 -6.123 1.00 0.00 H new ATOM 0 HA MET A 65 -8.005 -2.662 -6.522 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.619 -0.832 -4.510 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.338 -1.168 -4.469 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.602 -2.868 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.504 -3.730 -4.569 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.360 -2.949 -1.573 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.091 -1.406 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.128 -2.749 -1.540 1.00 0.00 H new ATOM 803 N PRO A 66 -9.167 -0.439 -7.244 1.00 0.00 N ATOM 804 CA PRO A 66 -9.735 0.760 -7.917 1.00 0.00 C ATOM 805 C PRO A 66 -9.116 2.055 -7.374 1.00 0.00 C ATOM 806 O PRO A 66 -8.410 2.047 -6.384 1.00 0.00 O ATOM 807 CB PRO A 66 -11.233 0.693 -7.594 1.00 0.00 C ATOM 808 CG PRO A 66 -11.529 -0.761 -7.365 1.00 0.00 C ATOM 809 CD PRO A 66 -10.216 -1.422 -6.904 1.00 0.00 C ATOM 0 HA PRO A 66 -9.533 0.766 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.471 1.286 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.830 1.090 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.307 -0.882 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.896 -1.228 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.232 -1.632 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.050 -2.372 -7.413 1.00 0.00 H new ATOM 817 N THR A 67 -9.366 3.162 -8.013 1.00 0.00 N ATOM 818 CA THR A 67 -8.789 4.448 -7.539 1.00 0.00 C ATOM 819 C THR A 67 -9.442 4.885 -6.220 1.00 0.00 C ATOM 820 O THR A 67 -8.821 5.535 -5.401 1.00 0.00 O ATOM 821 CB THR A 67 -9.023 5.516 -8.607 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.414 5.777 -8.717 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.486 5.017 -9.950 1.00 0.00 C ATOM 0 H THR A 67 -9.948 3.231 -8.848 1.00 0.00 H new ATOM 0 HA THR A 67 -7.721 4.317 -7.364 1.00 0.00 H new ATOM 0 HB THR A 67 -8.504 6.433 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.565 6.463 -9.400 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.652 5.777 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.418 4.817 -9.863 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.005 4.101 -10.232 1.00 0.00 H new ATOM 831 N LYS A 68 -10.692 4.562 -6.011 1.00 0.00 N ATOM 832 CA LYS A 68 -11.368 4.994 -4.750 1.00 0.00 C ATOM 833 C LYS A 68 -10.622 4.439 -3.530 1.00 0.00 C ATOM 834 O LYS A 68 -10.319 5.165 -2.603 1.00 0.00 O ATOM 835 CB LYS A 68 -12.816 4.480 -4.747 1.00 0.00 C ATOM 836 CG LYS A 68 -13.658 5.229 -5.796 1.00 0.00 C ATOM 837 CD LYS A 68 -14.122 6.587 -5.247 1.00 0.00 C ATOM 838 CE LYS A 68 -15.046 7.260 -6.266 1.00 0.00 C ATOM 839 NZ LYS A 68 -16.364 6.564 -6.283 1.00 0.00 N ATOM 0 H LYS A 68 -11.271 4.022 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.364 6.083 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.829 3.411 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.254 4.615 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.071 5.378 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.524 4.627 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.645 6.449 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.260 7.223 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.182 8.311 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.594 7.229 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.068 7.165 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.275 5.664 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.670 6.376 -5.307 1.00 0.00 H new ATOM 853 N GLU A 69 -10.303 3.174 -3.519 1.00 0.00 N ATOM 854 CA GLU A 69 -9.556 2.622 -2.350 1.00 0.00 C ATOM 855 C GLU A 69 -8.153 3.225 -2.324 1.00 0.00 C ATOM 856 O GLU A 69 -7.570 3.423 -1.276 1.00 0.00 O ATOM 857 CB GLU A 69 -9.462 1.094 -2.441 1.00 0.00 C ATOM 858 CG GLU A 69 -10.814 0.463 -2.093 1.00 0.00 C ATOM 859 CD GLU A 69 -11.823 0.754 -3.205 1.00 0.00 C ATOM 860 OE1 GLU A 69 -11.396 1.134 -4.282 1.00 0.00 O ATOM 861 OE2 GLU A 69 -13.007 0.589 -2.960 1.00 0.00 O ATOM 0 H GLU A 69 -10.523 2.505 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.088 2.879 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.162 0.799 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.694 0.728 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.701 -0.613 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.178 0.861 -1.146 1.00 0.00 H new ATOM 868 N ARG A 70 -7.602 3.514 -3.471 1.00 0.00 N ATOM 869 CA ARG A 70 -6.234 4.100 -3.510 1.00 0.00 C ATOM 870 C ARG A 70 -6.232 5.425 -2.745 1.00 0.00 C ATOM 871 O ARG A 70 -5.343 5.700 -1.971 1.00 0.00 O ATOM 872 CB ARG A 70 -5.830 4.355 -4.967 1.00 0.00 C ATOM 873 CG ARG A 70 -4.373 4.820 -5.023 1.00 0.00 C ATOM 874 CD ARG A 70 -3.967 5.075 -6.478 1.00 0.00 C ATOM 875 NE ARG A 70 -4.661 6.291 -6.989 1.00 0.00 N ATOM 876 CZ ARG A 70 -4.224 6.880 -8.069 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.189 6.397 -8.700 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.821 7.951 -8.519 1.00 0.00 N ATOM 0 H ARG A 70 -8.040 3.370 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.527 3.409 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.954 3.445 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.480 5.110 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.249 5.730 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.723 4.065 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.887 5.205 -6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.224 4.213 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.474 6.661 -6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.723 5.560 -8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.846 6.856 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.630 8.329 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.478 8.410 -9.363 1.00 0.00 H new ATOM 892 N GLU A 71 -7.227 6.241 -2.945 1.00 0.00 N ATOM 893 CA GLU A 71 -7.281 7.545 -2.222 1.00 0.00 C ATOM 894 C GLU A 71 -7.309 7.308 -0.710 1.00 0.00 C ATOM 895 O GLU A 71 -6.696 8.028 0.053 1.00 0.00 O ATOM 896 CB GLU A 71 -8.536 8.310 -2.642 1.00 0.00 C ATOM 897 CG GLU A 71 -8.384 8.780 -4.088 1.00 0.00 C ATOM 898 CD GLU A 71 -9.638 9.545 -4.513 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.606 9.512 -3.772 1.00 0.00 O ATOM 900 OE2 GLU A 71 -9.609 10.149 -5.572 1.00 0.00 O ATOM 0 H GLU A 71 -8.007 6.063 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.395 8.128 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.414 7.671 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.691 9.165 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.506 9.419 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.228 7.924 -4.745 1.00 0.00 H new ATOM 907 N GLN A 72 -8.034 6.320 -0.270 1.00 0.00 N ATOM 908 CA GLN A 72 -8.126 6.055 1.194 1.00 0.00 C ATOM 909 C GLN A 72 -6.743 5.716 1.766 1.00 0.00 C ATOM 910 O GLN A 72 -6.433 6.059 2.890 1.00 0.00 O ATOM 911 CB GLN A 72 -9.081 4.884 1.432 1.00 0.00 C ATOM 912 CG GLN A 72 -10.511 5.328 1.118 1.00 0.00 C ATOM 913 CD GLN A 72 -11.470 4.153 1.316 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.121 3.019 1.053 1.00 0.00 O ATOM 915 NE2 GLN A 72 -12.671 4.377 1.771 1.00 0.00 N ATOM 0 H GLN A 72 -8.568 5.683 -0.861 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.500 6.948 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.803 4.039 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.011 4.547 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.796 6.156 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.572 5.691 0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.963 5.329 1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.318 3.600 1.906 1.00 0.00 H new ATOM 924 N VAL A 73 -5.914 5.035 1.022 1.00 0.00 N ATOM 925 CA VAL A 73 -4.568 4.674 1.560 1.00 0.00 C ATOM 926 C VAL A 73 -3.694 5.930 1.696 1.00 0.00 C ATOM 927 O VAL A 73 -3.104 6.172 2.730 1.00 0.00 O ATOM 928 CB VAL A 73 -3.890 3.690 0.604 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.468 3.394 1.093 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.697 2.390 0.555 1.00 0.00 C ATOM 0 H VAL A 73 -6.107 4.715 0.073 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.690 4.218 2.542 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.844 4.127 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.987 2.693 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.894 4.320 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.510 2.958 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.215 1.688 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.745 1.953 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.707 2.602 0.203 1.00 0.00 H new ATOM 940 N ILE A 74 -3.602 6.731 0.667 1.00 0.00 N ATOM 941 CA ILE A 74 -2.762 7.966 0.755 1.00 0.00 C ATOM 942 C ILE A 74 -3.313 8.893 1.851 1.00 0.00 C ATOM 943 O ILE A 74 -2.564 9.520 2.572 1.00 0.00 O ATOM 944 CB ILE A 74 -2.731 8.685 -0.614 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.727 7.985 -1.543 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.299 10.149 -0.443 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.151 6.538 -1.788 1.00 0.00 C ATOM 0 H ILE A 74 -4.069 6.586 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.740 7.691 1.017 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.732 8.649 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.666 8.519 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.732 8.009 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.283 10.640 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.004 10.663 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.303 10.185 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.431 6.054 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.189 6.004 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.137 6.521 -2.253 1.00 0.00 H new ATOM 959 N ALA A 75 -4.609 8.999 1.976 1.00 0.00 N ATOM 960 CA ALA A 75 -5.178 9.902 3.019 1.00 0.00 C ATOM 961 C ALA A 75 -4.705 9.455 4.406 1.00 0.00 C ATOM 962 O ALA A 75 -4.299 10.263 5.220 1.00 0.00 O ATOM 963 CB ALA A 75 -6.709 9.851 2.961 1.00 0.00 C ATOM 0 H ALA A 75 -5.294 8.503 1.406 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.840 10.922 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.124 10.511 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.047 10.176 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.046 8.830 3.142 1.00 0.00 H new ATOM 969 N HIS A 76 -4.744 8.182 4.689 1.00 0.00 N ATOM 970 CA HIS A 76 -4.295 7.721 6.031 1.00 0.00 C ATOM 971 C HIS A 76 -2.832 8.120 6.221 1.00 0.00 C ATOM 972 O HIS A 76 -2.429 8.559 7.281 1.00 0.00 O ATOM 973 CB HIS A 76 -4.435 6.195 6.130 1.00 0.00 C ATOM 974 CG HIS A 76 -4.500 5.785 7.578 1.00 0.00 C ATOM 975 ND1 HIS A 76 -5.584 5.095 8.100 1.00 0.00 N ATOM 976 CD2 HIS A 76 -3.639 5.981 8.628 1.00 0.00 C ATOM 977 CE1 HIS A 76 -5.346 4.900 9.411 1.00 0.00 C ATOM 978 NE2 HIS A 76 -4.174 5.421 9.785 1.00 0.00 N ATOM 0 H HIS A 76 -5.064 7.449 4.056 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.908 8.181 6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.335 5.868 5.609 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.590 5.710 5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.690 6.492 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.021 4.385 10.079 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.760 5.411 10.717 1.00 0.00 H new ATOM 986 N LEU A 77 -2.037 7.991 5.195 1.00 0.00 N ATOM 987 CA LEU A 77 -0.609 8.386 5.312 1.00 0.00 C ATOM 988 C LEU A 77 -0.557 9.895 5.533 1.00 0.00 C ATOM 989 O LEU A 77 0.322 10.410 6.197 1.00 0.00 O ATOM 990 CB LEU A 77 0.138 8.015 4.027 1.00 0.00 C ATOM 991 CG LEU A 77 0.054 6.499 3.797 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.678 6.155 2.442 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.804 5.749 4.915 1.00 0.00 C ATOM 0 H LEU A 77 -2.316 7.630 4.283 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.135 7.867 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.294 8.545 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.181 8.324 4.099 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.993 6.195 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.619 5.079 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.137 6.674 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.722 6.467 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.737 4.675 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.851 6.052 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.355 5.989 5.879 1.00 0.00 H new