USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= -4.27! C(o=-5.7!,f=-11!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.4 K(o=-5.7,f=-9.3) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.958 K(o=3.2,f=-2.6) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -179:sc= 2.29 (180deg=1.16) USER MOD Set 3.1: A 18 LYS NZ :NH3+ 145:sc= 0.0903 (180deg=-1.81!) USER MOD Set 3.2: A 33 TYR OH : rot 148:sc= 1.23 USER MOD Set 4.1: A 9 SER OG : rot 94:sc= 0.00439 USER MOD Set 4.2: A 35 TYR OH : rot -150:sc= 1.14 USER MOD Set 5.1: A 2 GLN : amide:sc= 0.366 K(o=0.09,f=-0.99!) USER MOD Set 5.2: A 34 GLN : amide:sc= -0.277 K(o=0.09,f=-0.99) USER MOD Single : A 1 MET CE :methyl -154:sc= -2.4! (180deg=-3.58!) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.191 (180deg=0.09) USER MOD Single : A 3 THR OG1 : rot 141:sc= 0.0358 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 176:sc= 1.2 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : A 44 THR OG1 : rot -126:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= 0.953 (180deg=-0.396!) USER MOD Single : A 49 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.78) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 109:sc= 1.29 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 67 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD Single : B 149 LYS NZ :NH3+ -116:sc= 0.898 (180deg=0.0312) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.712 -15.473 -2.434 1.00 1.00 N ATOM 2 CA MET A 1 13.902 -14.878 -1.344 1.00 1.00 C ATOM 3 C MET A 1 14.704 -13.808 -0.579 1.00 1.00 C ATOM 4 O MET A 1 15.065 -13.995 0.580 1.00 1.00 O ATOM 5 CB MET A 1 13.276 -15.975 -0.453 1.00 1.00 C ATOM 6 CG MET A 1 12.197 -15.454 0.511 1.00 1.00 C ATOM 7 SD MET A 1 10.509 -15.270 -0.130 1.00 1.00 S ATOM 8 CE MET A 1 10.725 -14.031 -1.430 1.00 1.00 C ATOM 0 H1 MET A 1 14.306 -16.391 -2.707 1.00 1.00 H new ATOM 0 H2 MET A 1 14.710 -14.835 -3.256 1.00 1.00 H new ATOM 0 H3 MET A 1 15.689 -15.611 -2.105 1.00 1.00 H new ATOM 0 HA MET A 1 13.055 -14.345 -1.776 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.839 -16.742 -1.092 1.00 1.00 H new ATOM 0 HB3 MET A 1 14.066 -16.454 0.126 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.159 -16.128 1.367 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.522 -14.483 0.884 1.00 1.00 H new ATOM 0 HE1 MET A 1 9.788 -13.496 -1.582 1.00 1.00 H new ATOM 0 HE2 MET A 1 11.502 -13.326 -1.135 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.016 -14.524 -2.358 1.00 1.00 H new ATOM 20 N GLN A 2 14.992 -12.684 -1.250 1.00 1.00 N ATOM 21 CA GLN A 2 15.632 -11.442 -0.759 1.00 1.00 C ATOM 22 C GLN A 2 14.708 -10.214 -0.913 1.00 1.00 C ATOM 23 O GLN A 2 14.316 -9.848 -2.022 1.00 1.00 O ATOM 24 CB GLN A 2 16.964 -11.204 -1.486 1.00 1.00 C ATOM 25 CG GLN A 2 18.097 -10.507 -0.686 1.00 1.00 C ATOM 26 CD GLN A 2 18.338 -9.027 -1.036 1.00 1.00 C ATOM 27 OE1 GLN A 2 17.975 -8.504 -2.078 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.946 -8.243 -0.181 1.00 1.00 N ATOM 0 H GLN A 2 14.765 -12.608 -2.241 1.00 1.00 H new ATOM 0 HA GLN A 2 15.824 -11.573 0.306 1.00 1.00 H new ATOM 0 HB2 GLN A 2 17.338 -12.169 -1.830 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.761 -10.606 -2.374 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.865 -10.578 0.377 1.00 1.00 H new ATOM 0 HG3 GLN A 2 19.024 -11.057 -0.848 1.00 1.00 H new ATOM 0 HE21 GLN A 2 19.275 -8.617 0.709 1.00 1.00 H new ATOM 0 HE22 GLN A 2 19.091 -7.259 -0.405 1.00 1.00 H new ATOM 37 N THR A 3 14.401 -9.540 0.181 1.00 1.00 N ATOM 38 CA THR A 3 13.412 -8.432 0.280 1.00 1.00 C ATOM 39 C THR A 3 14.058 -7.142 0.802 1.00 1.00 C ATOM 40 O THR A 3 14.631 -7.134 1.893 1.00 1.00 O ATOM 41 CB THR A 3 12.184 -8.850 1.111 1.00 1.00 C ATOM 42 OG1 THR A 3 11.532 -9.888 0.411 1.00 1.00 O ATOM 43 CG2 THR A 3 11.157 -7.724 1.250 1.00 1.00 C ATOM 0 H THR A 3 14.844 -9.744 1.077 1.00 1.00 H new ATOM 0 HA THR A 3 13.055 -8.215 -0.727 1.00 1.00 H new ATOM 0 HB THR A 3 12.536 -9.135 2.102 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.209 -10.559 1.048 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.313 -8.073 1.845 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.619 -6.869 1.743 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.807 -7.427 0.261 1.00 1.00 H new ATOM 51 N VAL A 4 14.006 -6.047 0.035 1.00 1.00 N ATOM 52 CA VAL A 4 14.698 -4.753 0.289 1.00 1.00 C ATOM 53 C VAL A 4 13.700 -3.599 0.472 1.00 1.00 C ATOM 54 O VAL A 4 12.790 -3.431 -0.339 1.00 1.00 O ATOM 55 CB VAL A 4 15.739 -4.430 -0.816 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.600 -3.209 -0.444 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.677 -5.624 -1.096 1.00 1.00 C ATOM 0 H VAL A 4 13.457 -6.026 -0.824 1.00 1.00 H new ATOM 0 HA VAL A 4 15.243 -4.864 1.227 1.00 1.00 H new ATOM 0 HB VAL A 4 15.162 -4.211 -1.714 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.317 -3.013 -1.241 1.00 1.00 H new ATOM 0 HG12 VAL A 4 15.958 -2.338 -0.311 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.135 -3.410 0.484 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.389 -5.353 -1.876 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.218 -5.883 -0.186 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.088 -6.480 -1.424 1.00 1.00 H new ATOM 67 N ILE A 5 13.866 -2.793 1.530 1.00 1.00 N ATOM 68 CA ILE A 5 12.922 -1.738 1.975 1.00 1.00 C ATOM 69 C ILE A 5 13.562 -0.341 1.985 1.00 1.00 C ATOM 70 O ILE A 5 14.545 -0.113 2.690 1.00 1.00 O ATOM 71 CB ILE A 5 12.302 -2.094 3.356 1.00 1.00 C ATOM 72 CG1 ILE A 5 11.746 -3.550 3.430 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.197 -1.086 3.738 1.00 1.00 C ATOM 74 CD1 ILE A 5 12.720 -4.517 4.107 1.00 1.00 C ATOM 0 H ILE A 5 14.690 -2.854 2.127 1.00 1.00 H new ATOM 0 HA ILE A 5 12.116 -1.700 1.242 1.00 1.00 H new ATOM 0 HB ILE A 5 13.119 -2.032 4.075 1.00 1.00 H new ATOM 0 HG12 ILE A 5 10.803 -3.548 3.977 1.00 1.00 H new ATOM 0 HG13 ILE A 5 11.529 -3.904 2.422 1.00 1.00 H new ATOM 0 HG21 ILE A 5 10.778 -1.355 4.708 1.00 1.00 H new ATOM 0 HG22 ILE A 5 11.622 -0.084 3.792 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.410 -1.106 2.984 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.283 -5.515 4.132 1.00 1.00 H new ATOM 0 HD12 ILE A 5 13.655 -4.544 3.547 1.00 1.00 H new ATOM 0 HD13 ILE A 5 12.917 -4.182 5.125 1.00 1.00 H new ATOM 86 N PHE A 6 12.973 0.597 1.234 1.00 1.00 N ATOM 87 CA PHE A 6 13.486 1.946 0.954 1.00 1.00 C ATOM 88 C PHE A 6 12.736 3.064 1.726 1.00 1.00 C ATOM 89 O PHE A 6 11.610 3.422 1.386 1.00 1.00 O ATOM 90 CB PHE A 6 13.488 2.143 -0.577 1.00 1.00 C ATOM 91 CG PHE A 6 14.502 1.274 -1.320 1.00 1.00 C ATOM 92 CD1 PHE A 6 15.835 1.715 -1.504 1.00 1.00 C ATOM 93 CD2 PHE A 6 14.125 0.002 -1.809 1.00 1.00 C ATOM 94 CE1 PHE A 6 16.770 0.913 -2.194 1.00 1.00 C ATOM 95 CE2 PHE A 6 15.061 -0.804 -2.497 1.00 1.00 C ATOM 96 CZ PHE A 6 16.381 -0.346 -2.695 1.00 1.00 C ATOM 0 H PHE A 6 12.076 0.427 0.780 1.00 1.00 H new ATOM 0 HA PHE A 6 14.507 2.031 1.327 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.491 1.927 -0.961 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.694 3.191 -0.797 1.00 1.00 H new ATOM 0 HD1 PHE A 6 16.140 2.674 -1.113 1.00 1.00 H new ATOM 0 HD2 PHE A 6 13.117 -0.356 -1.656 1.00 1.00 H new ATOM 0 HE1 PHE A 6 17.781 1.263 -2.338 1.00 1.00 H new ATOM 0 HE2 PHE A 6 14.765 -1.773 -2.872 1.00 1.00 H new ATOM 0 HZ PHE A 6 17.092 -0.959 -3.229 1.00 1.00 H new ATOM 106 N GLY A 7 13.373 3.633 2.766 1.00 1.00 N ATOM 107 CA GLY A 7 12.870 4.753 3.598 1.00 1.00 C ATOM 108 C GLY A 7 11.849 4.394 4.695 1.00 1.00 C ATOM 109 O GLY A 7 10.678 4.760 4.595 1.00 1.00 O ATOM 0 H GLY A 7 14.294 3.314 3.067 1.00 1.00 H new ATOM 0 HA2 GLY A 7 13.725 5.235 4.073 1.00 1.00 H new ATOM 0 HA3 GLY A 7 12.415 5.490 2.937 1.00 1.00 H new ATOM 113 N ARG A 8 12.289 3.695 5.757 1.00 1.00 N ATOM 114 CA ARG A 8 11.503 3.249 6.944 1.00 1.00 C ATOM 115 C ARG A 8 11.279 4.348 8.000 1.00 1.00 C ATOM 116 O ARG A 8 10.153 4.621 8.414 1.00 1.00 O ATOM 117 CB ARG A 8 12.220 2.033 7.584 1.00 1.00 C ATOM 118 CG ARG A 8 11.448 1.359 8.737 1.00 1.00 C ATOM 119 CD ARG A 8 12.281 1.152 10.015 1.00 1.00 C ATOM 120 NE ARG A 8 11.649 0.209 10.970 1.00 1.00 N ATOM 121 CZ ARG A 8 12.111 -0.168 12.140 1.00 1.00 C ATOM 122 NH1 ARG A 8 13.209 0.242 12.664 1.00 1.00 N ATOM 123 NH2 ARG A 8 11.508 -1.067 12.826 1.00 1.00 N ATOM 0 H ARG A 8 13.264 3.403 5.823 1.00 1.00 H new ATOM 0 HA ARG A 8 10.509 2.981 6.587 1.00 1.00 H new ATOM 0 HB2 ARG A 8 12.408 1.290 6.808 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.192 2.357 7.957 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.576 1.966 8.979 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.079 0.392 8.396 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.268 0.778 9.743 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.429 2.114 10.506 1.00 1.00 H new ATOM 0 HE ARG A 8 10.755 -0.192 10.686 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.794 0.911 12.164 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.496 -0.102 13.580 1.00 1.00 H new ATOM 0 HH21 ARG A 8 10.658 -1.499 12.465 1.00 1.00 H new ATOM 0 HH22 ARG A 8 11.878 -1.350 13.733 1.00 1.00 H new ATOM 137 N SER A 9 12.375 4.970 8.430 1.00 1.00 N ATOM 138 CA SER A 9 12.563 5.939 9.536 1.00 1.00 C ATOM 139 C SER A 9 11.841 7.311 9.436 1.00 1.00 C ATOM 140 O SER A 9 12.288 8.297 10.033 1.00 1.00 O ATOM 141 CB SER A 9 14.080 6.111 9.736 1.00 1.00 C ATOM 142 OG SER A 9 14.682 4.869 10.062 1.00 1.00 O ATOM 0 H SER A 9 13.265 4.793 7.963 1.00 1.00 H new ATOM 0 HA SER A 9 12.062 5.505 10.402 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.529 6.512 8.828 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.268 6.833 10.531 1.00 1.00 H new ATOM 0 HG SER A 9 15.021 4.446 9.246 1.00 1.00 H new ATOM 148 N GLY A 10 10.737 7.405 8.681 1.00 1.00 N ATOM 149 CA GLY A 10 9.895 8.609 8.498 1.00 1.00 C ATOM 150 C GLY A 10 8.372 8.438 8.681 1.00 1.00 C ATOM 151 O GLY A 10 7.723 9.367 9.163 1.00 1.00 O ATOM 0 H GLY A 10 10.385 6.607 8.153 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.236 9.370 9.200 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.073 8.997 7.495 1.00 1.00 H new ATOM 155 N CYS A 11 7.791 7.282 8.342 1.00 1.00 N ATOM 156 CA CYS A 11 6.343 6.993 8.300 1.00 1.00 C ATOM 157 C CYS A 11 5.923 5.586 8.812 1.00 1.00 C ATOM 158 O CYS A 11 6.591 4.589 8.500 1.00 1.00 O ATOM 159 CB CYS A 11 5.841 7.192 6.860 1.00 1.00 C ATOM 160 SG CYS A 11 6.769 6.268 5.602 1.00 1.00 S ATOM 0 H CYS A 11 8.348 6.471 8.072 1.00 1.00 H new ATOM 0 HA CYS A 11 5.881 7.692 8.997 1.00 1.00 H new ATOM 0 HB2 CYS A 11 4.793 6.896 6.810 1.00 1.00 H new ATOM 0 HB3 CYS A 11 5.884 8.254 6.618 1.00 1.00 H new ATOM 165 N PRO A 12 4.772 5.464 9.521 1.00 1.00 N ATOM 166 CA PRO A 12 4.335 4.231 10.188 1.00 1.00 C ATOM 167 C PRO A 12 4.103 3.032 9.256 1.00 1.00 C ATOM 168 O PRO A 12 4.540 1.936 9.607 1.00 1.00 O ATOM 169 CB PRO A 12 3.069 4.596 10.983 1.00 1.00 C ATOM 170 CG PRO A 12 2.541 5.852 10.299 1.00 1.00 C ATOM 171 CD PRO A 12 3.829 6.531 9.846 1.00 1.00 C ATOM 0 HA PRO A 12 5.138 3.879 10.835 1.00 1.00 H new ATOM 0 HB2 PRO A 12 2.336 3.790 10.955 1.00 1.00 H new ATOM 0 HB3 PRO A 12 3.298 4.781 12.032 1.00 1.00 H new ATOM 0 HG2 PRO A 12 1.887 5.615 9.459 1.00 1.00 H new ATOM 0 HG3 PRO A 12 1.968 6.479 10.982 1.00 1.00 H new ATOM 0 HD2 PRO A 12 3.648 7.165 8.978 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.226 7.173 10.633 1.00 1.00 H new ATOM 179 N TYR A 13 3.484 3.188 8.070 1.00 1.00 N ATOM 180 CA TYR A 13 3.308 2.026 7.156 1.00 1.00 C ATOM 181 C TYR A 13 4.626 1.518 6.563 1.00 1.00 C ATOM 182 O TYR A 13 4.780 0.312 6.421 1.00 1.00 O ATOM 183 CB TYR A 13 2.220 2.210 6.108 1.00 1.00 C ATOM 184 CG TYR A 13 0.852 2.420 6.718 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.180 1.346 7.350 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.280 3.710 6.706 1.00 1.00 C ATOM 187 CE1 TYR A 13 -1.088 1.569 7.929 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.981 3.934 7.287 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.682 2.848 7.855 1.00 1.00 C ATOM 190 OH TYR A 13 -2.948 3.024 8.281 1.00 1.00 O ATOM 0 H TYR A 13 3.107 4.070 7.724 1.00 1.00 H new ATOM 0 HA TYR A 13 2.939 1.229 7.802 1.00 1.00 H new ATOM 0 HB2 TYR A 13 2.468 3.065 5.479 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.194 1.334 5.460 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.633 0.366 7.389 1.00 1.00 H new ATOM 0 HD2 TYR A 13 0.814 4.530 6.248 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -1.603 0.762 8.428 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.408 4.926 7.299 1.00 1.00 H new ATOM 0 HH TYR A 13 -3.206 3.962 8.162 1.00 1.00 H new ATOM 200 N SER A 14 5.573 2.403 6.213 1.00 1.00 N ATOM 201 CA SER A 14 6.945 2.006 5.810 1.00 1.00 C ATOM 202 C SER A 14 7.648 1.198 6.916 1.00 1.00 C ATOM 203 O SER A 14 8.286 0.183 6.629 1.00 1.00 O ATOM 204 CB SER A 14 7.809 3.212 5.464 1.00 1.00 C ATOM 205 OG SER A 14 8.915 2.787 4.701 1.00 1.00 O ATOM 0 H SER A 14 5.417 3.411 6.199 1.00 1.00 H new ATOM 0 HA SER A 14 6.829 1.384 4.922 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.226 3.944 4.905 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.148 3.704 6.375 1.00 1.00 H new ATOM 0 HG SER A 14 9.440 3.567 4.423 1.00 1.00 H new ATOM 211 N VAL A 15 7.474 1.607 8.196 1.00 1.00 N ATOM 212 CA VAL A 15 7.943 0.812 9.355 1.00 1.00 C ATOM 213 C VAL A 15 7.252 -0.543 9.373 1.00 1.00 C ATOM 214 O VAL A 15 7.971 -1.529 9.288 1.00 1.00 O ATOM 215 CB VAL A 15 7.702 1.497 10.725 1.00 1.00 C ATOM 216 CG1 VAL A 15 8.067 0.548 11.887 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.474 2.819 10.822 1.00 1.00 C ATOM 0 H VAL A 15 7.013 2.481 8.451 1.00 1.00 H new ATOM 0 HA VAL A 15 9.020 0.710 9.223 1.00 1.00 H new ATOM 0 HB VAL A 15 6.640 1.728 10.805 1.00 1.00 H new ATOM 0 HG11 VAL A 15 7.889 1.051 12.837 1.00 1.00 H new ATOM 0 HG12 VAL A 15 7.451 -0.349 11.831 1.00 1.00 H new ATOM 0 HG13 VAL A 15 9.119 0.271 11.814 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.288 3.279 11.792 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.541 2.626 10.711 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.143 3.493 10.032 1.00 1.00 H new ATOM 227 N ARG A 16 5.911 -0.597 9.302 1.00 1.00 N ATOM 228 CA ARG A 16 5.087 -1.824 9.233 1.00 1.00 C ATOM 229 C ARG A 16 5.507 -2.746 8.071 1.00 1.00 C ATOM 230 O ARG A 16 5.676 -3.941 8.266 1.00 1.00 O ATOM 231 CB ARG A 16 3.589 -1.419 9.154 1.00 1.00 C ATOM 232 CG ARG A 16 2.618 -2.234 10.032 1.00 1.00 C ATOM 233 CD ARG A 16 2.599 -1.825 11.514 1.00 1.00 C ATOM 234 NE ARG A 16 1.271 -2.064 12.131 1.00 1.00 N ATOM 235 CZ ARG A 16 0.591 -1.299 12.952 1.00 1.00 C ATOM 236 NH1 ARG A 16 1.079 -0.256 13.521 1.00 1.00 N ATOM 237 NH2 ARG A 16 -0.642 -1.515 13.231 1.00 1.00 N ATOM 0 H ARG A 16 5.343 0.250 9.290 1.00 1.00 H new ATOM 0 HA ARG A 16 5.248 -2.411 10.137 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.503 -0.368 9.431 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.265 -1.502 8.116 1.00 1.00 H new ATOM 0 HG2 ARG A 16 1.611 -2.133 9.628 1.00 1.00 H new ATOM 0 HG3 ARG A 16 2.884 -3.289 9.963 1.00 1.00 H new ATOM 0 HD2 ARG A 16 3.359 -2.387 12.057 1.00 1.00 H new ATOM 0 HD3 ARG A 16 2.858 -0.770 11.604 1.00 1.00 H new ATOM 0 HE ARG A 16 0.824 -2.946 11.882 1.00 1.00 H new ATOM 0 HH11 ARG A 16 2.046 0.017 13.343 1.00 1.00 H new ATOM 0 HH12 ARG A 16 0.500 0.300 14.150 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -1.129 -2.306 12.809 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -1.135 -0.896 13.875 1.00 1.00 H new ATOM 251 N ALA A 17 5.797 -2.189 6.894 1.00 1.00 N ATOM 252 CA ALA A 17 6.278 -2.848 5.674 1.00 1.00 C ATOM 253 C ALA A 17 7.669 -3.506 5.855 1.00 1.00 C ATOM 254 O ALA A 17 7.860 -4.667 5.474 1.00 1.00 O ATOM 255 CB ALA A 17 6.274 -1.805 4.538 1.00 1.00 C ATOM 0 H ALA A 17 5.694 -1.184 6.756 1.00 1.00 H new ATOM 0 HA ALA A 17 5.610 -3.673 5.425 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.628 -2.269 3.617 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.261 -1.432 4.390 1.00 1.00 H new ATOM 0 HB3 ALA A 17 6.931 -0.976 4.803 1.00 1.00 H new ATOM 261 N LYS A 18 8.630 -2.775 6.452 1.00 1.00 N ATOM 262 CA LYS A 18 9.955 -3.283 6.866 1.00 1.00 C ATOM 263 C LYS A 18 9.844 -4.361 7.955 1.00 1.00 C ATOM 264 O LYS A 18 10.409 -5.442 7.826 1.00 1.00 O ATOM 265 CB LYS A 18 10.861 -2.135 7.352 1.00 1.00 C ATOM 266 CG LYS A 18 12.341 -2.581 7.406 1.00 1.00 C ATOM 267 CD LYS A 18 12.971 -2.458 8.806 1.00 1.00 C ATOM 268 CE LYS A 18 12.375 -3.442 9.834 1.00 1.00 C ATOM 269 NZ LYS A 18 12.938 -3.256 11.194 1.00 1.00 N ATOM 0 H LYS A 18 8.504 -1.786 6.666 1.00 1.00 H new ATOM 0 HA LYS A 18 10.406 -3.741 5.985 1.00 1.00 H new ATOM 0 HB2 LYS A 18 10.760 -1.279 6.684 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.540 -1.807 8.341 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.412 -3.617 7.074 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.919 -1.981 6.703 1.00 1.00 H new ATOM 0 HD2 LYS A 18 14.045 -2.630 8.730 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.836 -1.439 9.169 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.293 -3.312 9.871 1.00 1.00 H new ATOM 0 HE3 LYS A 18 12.562 -4.464 9.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.200 -3.439 11.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.727 -3.918 11.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 13.282 -2.280 11.297 1.00 1.00 H new ATOM 283 N ASP A 19 9.117 -4.039 9.025 1.00 1.00 N ATOM 284 CA ASP A 19 8.716 -4.900 10.137 1.00 1.00 C ATOM 285 C ASP A 19 8.115 -6.243 9.678 1.00 1.00 C ATOM 286 O ASP A 19 8.488 -7.261 10.240 1.00 1.00 O ATOM 287 CB ASP A 19 7.777 -4.120 11.080 1.00 1.00 C ATOM 288 CG ASP A 19 8.547 -3.393 12.187 1.00 1.00 C ATOM 289 OD1 ASP A 19 9.503 -2.634 11.885 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.162 -3.578 13.365 1.00 1.00 O ATOM 0 H ASP A 19 8.764 -3.090 9.146 1.00 1.00 H new ATOM 0 HA ASP A 19 9.613 -5.176 10.691 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.203 -3.395 10.502 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.061 -4.808 11.529 1.00 1.00 H new ATOM 295 N LEU A 20 7.266 -6.269 8.643 1.00 1.00 N ATOM 296 CA LEU A 20 6.722 -7.462 7.961 1.00 1.00 C ATOM 297 C LEU A 20 7.803 -8.380 7.340 1.00 1.00 C ATOM 298 O LEU A 20 7.746 -9.599 7.507 1.00 1.00 O ATOM 299 CB LEU A 20 5.685 -7.005 6.901 1.00 1.00 C ATOM 300 CG LEU A 20 4.204 -7.169 7.301 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.850 -6.601 8.679 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.332 -6.483 6.242 1.00 1.00 C ATOM 0 H LEU A 20 6.915 -5.405 8.229 1.00 1.00 H new ATOM 0 HA LEU A 20 6.238 -8.080 8.718 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.866 -5.955 6.671 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.859 -7.567 5.983 1.00 1.00 H new ATOM 0 HG LEU A 20 4.018 -8.241 7.359 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.790 -6.760 8.877 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.442 -7.105 9.443 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.066 -5.533 8.699 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.281 -6.590 6.511 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.587 -5.425 6.191 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.507 -6.946 5.271 1.00 1.00 H new ATOM 314 N ALA A 21 8.771 -7.820 6.604 1.00 1.00 N ATOM 315 CA ALA A 21 9.950 -8.548 6.107 1.00 1.00 C ATOM 316 C ALA A 21 10.814 -9.111 7.274 1.00 1.00 C ATOM 317 O ALA A 21 11.194 -10.279 7.264 1.00 1.00 O ATOM 318 CB ALA A 21 10.727 -7.627 5.160 1.00 1.00 C ATOM 0 H ALA A 21 8.759 -6.837 6.332 1.00 1.00 H new ATOM 0 HA ALA A 21 9.637 -9.428 5.545 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.605 -8.151 4.782 1.00 1.00 H new ATOM 0 HB2 ALA A 21 10.088 -7.341 4.325 1.00 1.00 H new ATOM 0 HB3 ALA A 21 11.042 -6.733 5.699 1.00 1.00 H new ATOM 324 N GLU A 22 11.067 -8.300 8.312 1.00 1.00 N ATOM 325 CA GLU A 22 11.716 -8.667 9.591 1.00 1.00 C ATOM 326 C GLU A 22 10.961 -9.786 10.367 1.00 1.00 C ATOM 327 O GLU A 22 11.599 -10.725 10.838 1.00 1.00 O ATOM 328 CB GLU A 22 11.927 -7.384 10.422 1.00 1.00 C ATOM 329 CG GLU A 22 12.757 -7.554 11.705 1.00 1.00 C ATOM 330 CD GLU A 22 13.122 -6.171 12.266 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.238 -5.441 12.768 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.252 -5.683 12.036 1.00 1.00 O ATOM 0 H GLU A 22 10.812 -7.313 8.285 1.00 1.00 H new ATOM 0 HA GLU A 22 12.688 -9.113 9.377 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.414 -6.640 9.791 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.950 -6.983 10.693 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.191 -8.120 12.445 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.662 -8.123 11.493 1.00 1.00 H new ATOM 339 N LYS A 23 9.619 -9.717 10.451 1.00 1.00 N ATOM 340 CA LYS A 23 8.609 -10.679 10.981 1.00 1.00 C ATOM 341 C LYS A 23 8.746 -12.063 10.321 1.00 1.00 C ATOM 342 O LYS A 23 8.996 -13.044 11.025 1.00 1.00 O ATOM 343 CB LYS A 23 7.202 -10.025 10.826 1.00 1.00 C ATOM 344 CG LYS A 23 5.923 -10.599 11.479 1.00 1.00 C ATOM 345 CD LYS A 23 4.747 -9.607 11.220 1.00 1.00 C ATOM 346 CE LYS A 23 3.406 -9.957 11.894 1.00 1.00 C ATOM 347 NZ LYS A 23 2.286 -9.071 11.443 1.00 1.00 N ATOM 0 H LYS A 23 9.148 -8.880 10.107 1.00 1.00 H new ATOM 0 HA LYS A 23 8.773 -10.877 12.040 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.298 -9.000 11.185 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.004 -9.971 9.756 1.00 1.00 H new ATOM 0 HG2 LYS A 23 5.691 -11.579 11.061 1.00 1.00 H new ATOM 0 HG3 LYS A 23 6.073 -10.737 12.550 1.00 1.00 H new ATOM 0 HD2 LYS A 23 5.053 -8.617 11.557 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.584 -9.541 10.144 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.154 -10.995 11.676 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.515 -9.876 12.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.408 -9.349 11.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.511 -8.082 11.674 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.161 -9.166 10.415 1.00 1.00 H new ATOM 361 N LEU A 24 8.695 -12.116 8.982 1.00 1.00 N ATOM 362 CA LEU A 24 8.955 -13.300 8.134 1.00 1.00 C ATOM 363 C LEU A 24 10.398 -13.843 8.328 1.00 1.00 C ATOM 364 O LEU A 24 10.575 -15.036 8.554 1.00 1.00 O ATOM 365 CB LEU A 24 8.713 -12.915 6.650 1.00 1.00 C ATOM 366 CG LEU A 24 7.243 -12.956 6.165 1.00 1.00 C ATOM 367 CD1 LEU A 24 7.181 -12.521 4.695 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.560 -14.323 6.246 1.00 1.00 C ATOM 0 H LEU A 24 8.459 -11.293 8.427 1.00 1.00 H new ATOM 0 HA LEU A 24 8.273 -14.098 8.429 1.00 1.00 H new ATOM 0 HB2 LEU A 24 9.099 -11.908 6.490 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.300 -13.585 6.022 1.00 1.00 H new ATOM 0 HG LEU A 24 6.713 -12.288 6.843 1.00 1.00 H new ATOM 0 HD11 LEU A 24 6.147 -12.549 4.351 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.568 -11.507 4.599 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.783 -13.198 4.089 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.536 -14.240 5.883 1.00 1.00 H new ATOM 0 HD22 LEU A 24 7.106 -15.039 5.632 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.551 -14.665 7.281 1.00 1.00 H new ATOM 380 N SER A 25 11.422 -12.977 8.282 1.00 1.00 N ATOM 381 CA SER A 25 12.852 -13.257 8.570 1.00 1.00 C ATOM 382 C SER A 25 13.120 -13.915 9.942 1.00 1.00 C ATOM 383 O SER A 25 13.904 -14.861 10.019 1.00 1.00 O ATOM 384 CB SER A 25 13.659 -11.954 8.406 1.00 1.00 C ATOM 385 OG SER A 25 14.932 -11.976 9.024 1.00 1.00 O ATOM 0 H SER A 25 11.273 -12.000 8.028 1.00 1.00 H new ATOM 0 HA SER A 25 13.179 -14.005 7.847 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.788 -11.751 7.343 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.081 -11.128 8.820 1.00 1.00 H new ATOM 0 HG SER A 25 15.500 -11.283 8.627 1.00 1.00 H new ATOM 391 N ASN A 26 12.515 -13.426 11.033 1.00 1.00 N ATOM 392 CA ASN A 26 12.560 -13.993 12.378 1.00 1.00 C ATOM 393 C ASN A 26 11.851 -15.372 12.486 1.00 1.00 C ATOM 394 O ASN A 26 12.363 -16.276 13.156 1.00 1.00 O ATOM 395 CB ASN A 26 12.028 -12.918 13.359 1.00 1.00 C ATOM 396 CG ASN A 26 13.113 -12.409 14.296 1.00 1.00 C ATOM 397 OD1 ASN A 26 13.818 -11.456 14.018 1.00 1.00 O ATOM 398 ND2 ASN A 26 13.307 -13.034 15.424 1.00 1.00 N ATOM 0 H ASN A 26 11.951 -12.577 10.993 1.00 1.00 H new ATOM 0 HA ASN A 26 13.588 -14.234 12.648 1.00 1.00 H new ATOM 0 HB2 ASN A 26 11.618 -12.082 12.792 1.00 1.00 H new ATOM 0 HB3 ASN A 26 11.210 -13.337 13.946 1.00 1.00 H new ATOM 0 HD21 ASN A 26 14.041 -12.723 16.060 1.00 1.00 H new ATOM 0 HD22 ASN A 26 12.724 -13.834 15.671 1.00 1.00 H new ATOM 405 N GLU A 27 10.671 -15.516 11.871 1.00 1.00 N ATOM 406 CA GLU A 27 9.866 -16.751 11.779 1.00 1.00 C ATOM 407 C GLU A 27 10.587 -17.869 10.970 1.00 1.00 C ATOM 408 O GLU A 27 10.662 -19.009 11.441 1.00 1.00 O ATOM 409 CB GLU A 27 8.501 -16.369 11.155 1.00 1.00 C ATOM 410 CG GLU A 27 7.612 -17.530 10.681 1.00 1.00 C ATOM 411 CD GLU A 27 6.511 -17.005 9.752 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.482 -16.471 10.226 1.00 1.00 O ATOM 413 OE2 GLU A 27 6.666 -17.099 8.514 1.00 1.00 O ATOM 0 H GLU A 27 10.223 -14.733 11.396 1.00 1.00 H new ATOM 0 HA GLU A 27 9.720 -17.173 12.773 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.941 -15.789 11.889 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.687 -15.713 10.305 1.00 1.00 H new ATOM 0 HG2 GLU A 27 8.217 -18.271 10.159 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.166 -18.031 11.540 1.00 1.00 H new ATOM 420 N ARG A 28 11.074 -17.571 9.751 1.00 1.00 N ATOM 421 CA ARG A 28 11.701 -18.473 8.742 1.00 1.00 C ATOM 422 C ARG A 28 13.231 -18.620 8.886 1.00 1.00 C ATOM 423 O ARG A 28 13.889 -17.981 9.703 1.00 1.00 O ATOM 424 CB ARG A 28 11.323 -17.955 7.325 1.00 1.00 C ATOM 425 CG ARG A 28 9.808 -18.032 7.000 1.00 1.00 C ATOM 426 CD ARG A 28 9.278 -16.843 6.170 1.00 1.00 C ATOM 427 NE ARG A 28 8.462 -17.260 5.008 1.00 1.00 N ATOM 428 CZ ARG A 28 7.289 -17.850 4.976 1.00 1.00 C ATOM 429 NH1 ARG A 28 6.541 -18.084 5.991 1.00 1.00 N ATOM 430 NH2 ARG A 28 6.796 -18.264 3.869 1.00 1.00 N ATOM 0 H ARG A 28 11.040 -16.611 9.408 1.00 1.00 H new ATOM 0 HA ARG A 28 11.311 -19.477 8.910 1.00 1.00 H new ATOM 0 HB2 ARG A 28 11.651 -16.920 7.230 1.00 1.00 H new ATOM 0 HB3 ARG A 28 11.872 -18.533 6.581 1.00 1.00 H new ATOM 0 HG2 ARG A 28 9.611 -18.956 6.457 1.00 1.00 H new ATOM 0 HG3 ARG A 28 9.250 -18.086 7.935 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.680 -16.198 6.813 1.00 1.00 H new ATOM 0 HD3 ARG A 28 10.122 -16.249 5.819 1.00 1.00 H new ATOM 0 HE ARG A 28 8.872 -17.059 4.096 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.845 -17.804 6.924 1.00 1.00 H new ATOM 0 HH12 ARG A 28 5.642 -18.550 5.866 1.00 1.00 H new ATOM 0 HH21 ARG A 28 7.315 -18.137 3.000 1.00 1.00 H new ATOM 0 HH22 ARG A 28 5.884 -18.721 3.856 1.00 1.00 H new ATOM 444 N ASP A 29 13.805 -19.459 8.023 1.00 1.00 N ATOM 445 CA ASP A 29 15.250 -19.700 7.812 1.00 1.00 C ATOM 446 C ASP A 29 15.767 -19.339 6.391 1.00 1.00 C ATOM 447 O ASP A 29 16.946 -19.030 6.215 1.00 1.00 O ATOM 448 CB ASP A 29 15.561 -21.176 8.151 1.00 1.00 C ATOM 449 CG ASP A 29 14.680 -22.181 7.388 1.00 1.00 C ATOM 450 OD1 ASP A 29 14.672 -22.167 6.135 1.00 1.00 O ATOM 451 OD2 ASP A 29 13.893 -22.910 8.039 1.00 1.00 O ATOM 0 H ASP A 29 13.237 -20.036 7.402 1.00 1.00 H new ATOM 0 HA ASP A 29 15.785 -19.024 8.479 1.00 1.00 H new ATOM 0 HB2 ASP A 29 16.608 -21.379 7.926 1.00 1.00 H new ATOM 0 HB3 ASP A 29 15.429 -21.330 9.222 1.00 1.00 H new ATOM 456 N ASP A 30 14.882 -19.293 5.388 1.00 1.00 N ATOM 457 CA ASP A 30 15.191 -19.145 3.940 1.00 1.00 C ATOM 458 C ASP A 30 15.148 -17.733 3.332 1.00 1.00 C ATOM 459 O ASP A 30 15.794 -17.402 2.334 1.00 1.00 O ATOM 460 CB ASP A 30 14.148 -19.975 3.193 1.00 1.00 C ATOM 461 CG ASP A 30 12.764 -19.337 3.033 1.00 1.00 C ATOM 462 OD1 ASP A 30 12.561 -18.574 2.063 1.00 1.00 O ATOM 463 OD2 ASP A 30 11.858 -19.633 3.844 1.00 1.00 O ATOM 0 H ASP A 30 13.879 -19.360 5.561 1.00 1.00 H new ATOM 0 HA ASP A 30 16.231 -19.457 3.839 1.00 1.00 H new ATOM 0 HB2 ASP A 30 14.537 -20.202 2.201 1.00 1.00 H new ATOM 0 HB3 ASP A 30 14.029 -20.925 3.714 1.00 1.00 H new ATOM 468 N PHE A 31 14.450 -16.897 4.064 1.00 1.00 N ATOM 469 CA PHE A 31 14.035 -15.537 3.733 1.00 1.00 C ATOM 470 C PHE A 31 15.007 -14.505 4.333 1.00 1.00 C ATOM 471 O PHE A 31 15.377 -14.558 5.510 1.00 1.00 O ATOM 472 CB PHE A 31 12.620 -15.350 4.341 1.00 1.00 C ATOM 473 CG PHE A 31 11.960 -14.000 4.089 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.437 -12.837 4.740 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.864 -13.893 3.200 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.889 -11.574 4.440 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.305 -12.631 2.909 1.00 1.00 C ATOM 478 CZ PHE A 31 10.835 -11.470 3.511 1.00 1.00 C ATOM 0 H PHE A 31 14.124 -17.168 4.992 1.00 1.00 H new ATOM 0 HA PHE A 31 14.031 -15.386 2.653 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.970 -16.130 3.945 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.685 -15.505 5.418 1.00 1.00 H new ATOM 0 HD1 PHE A 31 13.227 -12.918 5.472 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.454 -14.781 2.743 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.276 -10.688 4.921 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.472 -12.553 2.226 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.432 -10.500 3.259 1.00 1.00 H new ATOM 488 N GLN A 32 15.456 -13.602 3.458 1.00 1.00 N ATOM 489 CA GLN A 32 16.483 -12.569 3.658 1.00 1.00 C ATOM 490 C GLN A 32 15.868 -11.158 3.516 1.00 1.00 C ATOM 491 O GLN A 32 15.155 -10.881 2.550 1.00 1.00 O ATOM 492 CB GLN A 32 17.628 -12.765 2.638 1.00 1.00 C ATOM 493 CG GLN A 32 18.297 -14.163 2.606 1.00 1.00 C ATOM 494 CD GLN A 32 18.358 -14.745 1.193 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.049 -14.248 0.317 1.00 1.00 O ATOM 496 NE2 GLN A 32 17.641 -15.800 0.880 1.00 1.00 N ATOM 0 H GLN A 32 15.080 -13.570 2.510 1.00 1.00 H new ATOM 0 HA GLN A 32 16.887 -12.664 4.666 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.238 -12.551 1.643 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.399 -12.023 2.845 1.00 1.00 H new ATOM 0 HG2 GLN A 32 19.307 -14.090 3.010 1.00 1.00 H new ATOM 0 HG3 GLN A 32 17.743 -14.843 3.253 1.00 1.00 H new ATOM 0 HE21 GLN A 32 17.051 -16.243 1.584 1.00 1.00 H new ATOM 0 HE22 GLN A 32 17.674 -16.176 -0.068 1.00 1.00 H new ATOM 505 N TYR A 33 16.137 -10.269 4.475 1.00 1.00 N ATOM 506 CA TYR A 33 15.615 -8.894 4.598 1.00 1.00 C ATOM 507 C TYR A 33 16.727 -7.807 4.668 1.00 1.00 C ATOM 508 O TYR A 33 17.732 -7.991 5.362 1.00 1.00 O ATOM 509 CB TYR A 33 14.550 -8.817 5.728 1.00 1.00 C ATOM 510 CG TYR A 33 14.779 -7.799 6.837 1.00 1.00 C ATOM 511 CD1 TYR A 33 14.630 -6.420 6.562 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.152 -8.219 8.135 1.00 1.00 C ATOM 513 CE1 TYR A 33 14.875 -5.464 7.570 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.368 -7.265 9.158 1.00 1.00 C ATOM 515 CZ TYR A 33 15.239 -5.884 8.871 1.00 1.00 C ATOM 516 OH TYR A 33 15.423 -4.958 9.845 1.00 1.00 O ATOM 0 H TYR A 33 16.768 -10.501 5.242 1.00 1.00 H new ATOM 0 HA TYR A 33 15.099 -8.646 3.670 1.00 1.00 H new ATOM 0 HB2 TYR A 33 13.585 -8.603 5.268 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.473 -9.803 6.186 1.00 1.00 H new ATOM 0 HD1 TYR A 33 14.328 -6.097 5.577 1.00 1.00 H new ATOM 0 HD2 TYR A 33 15.272 -9.271 8.346 1.00 1.00 H new ATOM 0 HE1 TYR A 33 14.785 -4.411 7.348 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.630 -7.589 10.154 1.00 1.00 H new ATOM 0 HH TYR A 33 15.165 -5.338 10.711 1.00 1.00 H new ATOM 526 N GLN A 34 16.572 -6.686 3.940 1.00 1.00 N ATOM 527 CA GLN A 34 17.491 -5.527 3.859 1.00 1.00 C ATOM 528 C GLN A 34 16.733 -4.197 4.080 1.00 1.00 C ATOM 529 O GLN A 34 15.737 -3.927 3.408 1.00 1.00 O ATOM 530 CB GLN A 34 18.111 -5.490 2.442 1.00 1.00 C ATOM 531 CG GLN A 34 19.242 -4.459 2.239 1.00 1.00 C ATOM 532 CD GLN A 34 19.806 -4.504 0.815 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.030 -5.551 0.221 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.049 -3.379 0.186 1.00 1.00 N ATOM 0 H GLN A 34 15.749 -6.553 3.353 1.00 1.00 H new ATOM 0 HA GLN A 34 18.253 -5.636 4.630 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.500 -6.481 2.208 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.319 -5.281 1.723 1.00 1.00 H new ATOM 0 HG2 GLN A 34 18.863 -3.459 2.448 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.042 -4.653 2.953 1.00 1.00 H new ATOM 0 HE21 GLN A 34 19.874 -2.487 0.650 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.413 -3.396 -0.767 1.00 1.00 H new ATOM 543 N TYR A 35 17.257 -3.301 4.914 1.00 1.00 N ATOM 544 CA TYR A 35 16.750 -1.933 5.137 1.00 1.00 C ATOM 545 C TYR A 35 17.714 -0.840 4.601 1.00 1.00 C ATOM 546 O TYR A 35 18.899 -0.821 4.945 1.00 1.00 O ATOM 547 CB TYR A 35 16.362 -1.702 6.612 1.00 1.00 C ATOM 548 CG TYR A 35 15.982 -0.251 6.888 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.104 0.420 6.000 1.00 1.00 C ATOM 550 CD2 TYR A 35 16.663 0.485 7.886 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.020 1.826 6.017 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.510 1.889 7.959 1.00 1.00 C ATOM 553 CZ TYR A 35 15.712 2.564 7.005 1.00 1.00 C ATOM 554 OH TYR A 35 15.625 3.917 7.023 1.00 1.00 O ATOM 0 H TYR A 35 18.080 -3.509 5.480 1.00 1.00 H new ATOM 0 HA TYR A 35 15.838 -1.839 4.548 1.00 1.00 H new ATOM 0 HB2 TYR A 35 15.525 -2.350 6.871 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.196 -1.986 7.254 1.00 1.00 H new ATOM 0 HD1 TYR A 35 14.498 -0.148 5.309 1.00 1.00 H new ATOM 0 HD2 TYR A 35 17.300 -0.026 8.593 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.427 2.340 5.275 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.002 2.446 8.743 1.00 1.00 H new ATOM 0 HH TYR A 35 16.453 4.293 7.389 1.00 1.00 H new ATOM 564 N VAL A 36 17.211 0.035 3.717 1.00 1.00 N ATOM 565 CA VAL A 36 17.921 1.171 3.088 1.00 1.00 C ATOM 566 C VAL A 36 17.223 2.525 3.348 1.00 1.00 C ATOM 567 O VAL A 36 16.102 2.773 2.894 1.00 1.00 O ATOM 568 CB VAL A 36 18.104 0.955 1.560 1.00 1.00 C ATOM 569 CG1 VAL A 36 18.972 2.087 0.979 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.733 -0.412 1.203 1.00 1.00 C ATOM 0 H VAL A 36 16.243 -0.031 3.401 1.00 1.00 H new ATOM 0 HA VAL A 36 18.903 1.208 3.559 1.00 1.00 H new ATOM 0 HB VAL A 36 17.106 0.967 1.121 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.100 1.934 -0.093 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.484 3.046 1.153 1.00 1.00 H new ATOM 0 HG13 VAL A 36 19.948 2.083 1.465 1.00 1.00 H new ATOM 0 HG21 VAL A 36 18.832 -0.496 0.121 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.717 -0.491 1.664 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.094 -1.214 1.572 1.00 1.00 H new ATOM 580 N ASP A 37 17.876 3.432 4.077 1.00 1.00 N ATOM 581 CA ASP A 37 17.446 4.833 4.272 1.00 1.00 C ATOM 582 C ASP A 37 17.603 5.733 3.038 1.00 1.00 C ATOM 583 O ASP A 37 18.676 6.246 2.759 1.00 1.00 O ATOM 584 CB ASP A 37 17.989 5.527 5.540 1.00 1.00 C ATOM 585 CG ASP A 37 18.756 4.668 6.539 1.00 1.00 C ATOM 586 OD1 ASP A 37 19.846 4.140 6.229 1.00 1.00 O ATOM 587 OD2 ASP A 37 18.221 4.526 7.662 1.00 1.00 O ATOM 0 H ASP A 37 18.744 3.214 4.565 1.00 1.00 H new ATOM 0 HA ASP A 37 16.376 4.707 4.436 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.642 6.340 5.225 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.146 5.979 6.063 1.00 1.00 H new ATOM 592 N ILE A 38 16.516 6.021 2.324 1.00 1.00 N ATOM 593 CA ILE A 38 16.529 6.889 1.123 1.00 1.00 C ATOM 594 C ILE A 38 16.702 8.373 1.494 1.00 1.00 C ATOM 595 O ILE A 38 17.541 9.050 0.903 1.00 1.00 O ATOM 596 CB ILE A 38 15.347 6.555 0.171 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.934 6.746 0.775 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.562 5.102 -0.302 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.355 8.142 0.539 1.00 1.00 C ATOM 0 H ILE A 38 15.590 5.662 2.555 1.00 1.00 H new ATOM 0 HA ILE A 38 17.417 6.668 0.530 1.00 1.00 H new ATOM 0 HB ILE A 38 15.362 7.269 -0.653 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.260 6.004 0.346 1.00 1.00 H new ATOM 0 HG13 ILE A 38 13.977 6.555 1.847 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.755 4.816 -0.977 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.516 5.027 -0.824 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.567 4.436 0.561 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.364 8.206 0.988 1.00 1.00 H new ATOM 0 HD12 ILE A 38 14.008 8.888 0.992 1.00 1.00 H new ATOM 0 HD13 ILE A 38 13.280 8.329 -0.532 1.00 1.00 H new ATOM 611 N ARG A 39 16.059 8.844 2.581 1.00 1.00 N ATOM 612 CA ARG A 39 16.239 10.196 3.165 1.00 1.00 C ATOM 613 C ARG A 39 17.655 10.436 3.738 1.00 1.00 C ATOM 614 O ARG A 39 18.084 11.589 3.795 1.00 1.00 O ATOM 615 CB ARG A 39 15.129 10.483 4.207 1.00 1.00 C ATOM 616 CG ARG A 39 15.196 11.913 4.801 1.00 1.00 C ATOM 617 CD ARG A 39 13.873 12.451 5.375 1.00 1.00 C ATOM 618 NE ARG A 39 13.566 13.813 4.892 1.00 1.00 N ATOM 619 CZ ARG A 39 12.513 14.555 5.117 1.00 1.00 C ATOM 620 NH1 ARG A 39 11.596 14.288 5.972 1.00 1.00 N ATOM 621 NH2 ARG A 39 12.332 15.631 4.449 1.00 1.00 N ATOM 0 H ARG A 39 15.380 8.282 3.094 1.00 1.00 H new ATOM 0 HA ARG A 39 16.141 10.913 2.350 1.00 1.00 H new ATOM 0 HB2 ARG A 39 14.155 10.337 3.739 1.00 1.00 H new ATOM 0 HB3 ARG A 39 15.205 9.757 5.017 1.00 1.00 H new ATOM 0 HG2 ARG A 39 15.947 11.925 5.591 1.00 1.00 H new ATOM 0 HG3 ARG A 39 15.540 12.596 4.024 1.00 1.00 H new ATOM 0 HD2 ARG A 39 13.060 11.779 5.101 1.00 1.00 H new ATOM 0 HD3 ARG A 39 13.928 12.457 6.464 1.00 1.00 H new ATOM 0 HE ARG A 39 14.278 14.236 4.297 1.00 1.00 H new ATOM 0 HH11 ARG A 39 11.657 13.442 6.538 1.00 1.00 H new ATOM 0 HH12 ARG A 39 10.805 14.922 6.086 1.00 1.00 H new ATOM 0 HH21 ARG A 39 13.010 15.911 3.740 1.00 1.00 H new ATOM 0 HH22 ARG A 39 11.510 16.209 4.626 1.00 1.00 H new ATOM 635 N ALA A 40 18.382 9.376 4.128 1.00 1.00 N ATOM 636 CA ALA A 40 19.741 9.451 4.719 1.00 1.00 C ATOM 637 C ALA A 40 20.882 9.107 3.727 1.00 1.00 C ATOM 638 O ALA A 40 21.877 9.831 3.649 1.00 1.00 O ATOM 639 CB ALA A 40 19.806 8.610 6.006 1.00 1.00 C ATOM 0 H ALA A 40 18.039 8.419 4.042 1.00 1.00 H new ATOM 0 HA ALA A 40 19.917 10.496 4.976 1.00 1.00 H new ATOM 0 HB1 ALA A 40 20.808 8.672 6.431 1.00 1.00 H new ATOM 0 HB2 ALA A 40 19.082 8.991 6.726 1.00 1.00 H new ATOM 0 HB3 ALA A 40 19.575 7.571 5.773 1.00 1.00 H new ATOM 645 N GLU A 41 20.720 8.047 2.925 1.00 1.00 N ATOM 646 CA GLU A 41 21.626 7.668 1.810 1.00 1.00 C ATOM 647 C GLU A 41 21.672 8.735 0.676 1.00 1.00 C ATOM 648 O GLU A 41 22.763 9.015 0.173 1.00 1.00 O ATOM 649 CB GLU A 41 21.306 6.239 1.293 1.00 1.00 C ATOM 650 CG GLU A 41 22.494 5.561 0.581 1.00 1.00 C ATOM 651 CD GLU A 41 22.230 4.094 0.172 1.00 1.00 C ATOM 652 OE1 GLU A 41 22.346 3.179 1.020 1.00 1.00 O ATOM 653 OE2 GLU A 41 22.013 3.815 -1.035 1.00 1.00 O ATOM 0 H GLU A 41 19.935 7.404 3.029 1.00 1.00 H new ATOM 0 HA GLU A 41 22.640 7.642 2.210 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.995 5.619 2.133 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.462 6.291 0.605 1.00 1.00 H new ATOM 0 HG2 GLU A 41 22.746 6.136 -0.310 1.00 1.00 H new ATOM 0 HG3 GLU A 41 23.364 5.593 1.237 1.00 1.00 H new ATOM 660 N GLY A 42 20.549 9.419 0.367 1.00 1.00 N ATOM 661 CA GLY A 42 20.436 10.580 -0.561 1.00 1.00 C ATOM 662 C GLY A 42 19.531 10.408 -1.802 1.00 1.00 C ATOM 663 O GLY A 42 19.829 10.952 -2.868 1.00 1.00 O ATOM 0 H GLY A 42 19.648 9.169 0.775 1.00 1.00 H new ATOM 0 HA2 GLY A 42 20.069 11.433 0.009 1.00 1.00 H new ATOM 0 HA3 GLY A 42 21.438 10.835 -0.906 1.00 1.00 H new ATOM 667 N ILE A 43 18.420 9.676 -1.663 1.00 1.00 N ATOM 668 CA ILE A 43 17.451 9.194 -2.681 1.00 1.00 C ATOM 669 C ILE A 43 16.004 9.631 -2.352 1.00 1.00 C ATOM 670 O ILE A 43 15.633 9.945 -1.220 1.00 1.00 O ATOM 671 CB ILE A 43 17.578 7.638 -2.764 1.00 1.00 C ATOM 672 CG1 ILE A 43 19.029 7.093 -2.943 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.694 6.997 -3.857 1.00 1.00 C ATOM 674 CD1 ILE A 43 19.238 5.778 -2.175 1.00 1.00 C ATOM 0 H ILE A 43 18.137 9.367 -0.733 1.00 1.00 H new ATOM 0 HA ILE A 43 17.682 9.639 -3.649 1.00 1.00 H new ATOM 0 HB ILE A 43 17.223 7.341 -1.777 1.00 1.00 H new ATOM 0 HG12 ILE A 43 19.230 6.932 -4.002 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.744 7.837 -2.592 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.837 5.916 -3.853 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.647 7.225 -3.658 1.00 1.00 H new ATOM 0 HG23 ILE A 43 16.974 7.396 -4.832 1.00 1.00 H new ATOM 0 HD11 ILE A 43 20.260 5.429 -2.323 1.00 1.00 H new ATOM 0 HD12 ILE A 43 19.062 5.945 -1.112 1.00 1.00 H new ATOM 0 HD13 ILE A 43 18.540 5.026 -2.544 1.00 1.00 H new ATOM 686 N THR A 44 15.155 9.608 -3.378 1.00 1.00 N ATOM 687 CA THR A 44 13.774 10.133 -3.398 1.00 1.00 C ATOM 688 C THR A 44 12.774 9.244 -4.158 1.00 1.00 C ATOM 689 O THR A 44 13.177 8.349 -4.907 1.00 1.00 O ATOM 690 CB THR A 44 13.850 11.539 -4.018 1.00 1.00 C ATOM 691 OG1 THR A 44 12.612 12.199 -3.902 1.00 1.00 O ATOM 692 CG2 THR A 44 14.420 11.550 -5.440 1.00 1.00 C ATOM 0 H THR A 44 15.420 9.200 -4.275 1.00 1.00 H new ATOM 0 HA THR A 44 13.388 10.155 -2.379 1.00 1.00 H new ATOM 0 HB THR A 44 14.577 12.110 -3.440 1.00 1.00 H new ATOM 0 HG1 THR A 44 12.319 12.503 -4.786 1.00 1.00 H new ATOM 0 HG21 THR A 44 14.444 12.573 -5.814 1.00 1.00 H new ATOM 0 HG22 THR A 44 15.431 11.143 -5.430 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.791 10.941 -6.089 1.00 1.00 H new ATOM 700 N LYS A 45 11.459 9.509 -4.026 1.00 1.00 N ATOM 701 CA LYS A 45 10.390 8.819 -4.798 1.00 1.00 C ATOM 702 C LYS A 45 10.579 8.896 -6.326 1.00 1.00 C ATOM 703 O LYS A 45 10.247 7.933 -7.008 1.00 1.00 O ATOM 704 CB LYS A 45 8.969 9.230 -4.337 1.00 1.00 C ATOM 705 CG LYS A 45 8.466 10.621 -4.780 1.00 1.00 C ATOM 706 CD LYS A 45 7.890 10.706 -6.216 1.00 1.00 C ATOM 707 CE LYS A 45 6.357 10.750 -6.270 1.00 1.00 C ATOM 708 NZ LYS A 45 5.816 12.097 -5.969 1.00 1.00 N ATOM 0 H LYS A 45 11.100 10.211 -3.379 1.00 1.00 H new ATOM 0 HA LYS A 45 10.494 7.760 -4.560 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.265 8.483 -4.702 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.941 9.190 -3.248 1.00 1.00 H new ATOM 0 HG2 LYS A 45 7.696 10.947 -4.081 1.00 1.00 H new ATOM 0 HG3 LYS A 45 9.292 11.328 -4.698 1.00 1.00 H new ATOM 0 HD2 LYS A 45 8.287 11.596 -6.704 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.239 9.847 -6.788 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.023 10.441 -7.260 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.951 10.032 -5.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 4.880 12.202 -6.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 5.729 12.214 -4.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.459 12.822 -6.347 1.00 1.00 H new ATOM 722 N GLU A 46 11.149 9.994 -6.840 1.00 1.00 N ATOM 723 CA GLU A 46 11.478 10.255 -8.262 1.00 1.00 C ATOM 724 C GLU A 46 12.511 9.252 -8.835 1.00 1.00 C ATOM 725 O GLU A 46 12.385 8.833 -9.987 1.00 1.00 O ATOM 726 CB GLU A 46 12.014 11.694 -8.436 1.00 1.00 C ATOM 727 CG GLU A 46 10.948 12.799 -8.313 1.00 1.00 C ATOM 728 CD GLU A 46 10.591 13.179 -6.862 1.00 1.00 C ATOM 729 OE1 GLU A 46 11.105 12.585 -5.886 1.00 1.00 O ATOM 730 OE2 GLU A 46 9.733 14.070 -6.664 1.00 1.00 O ATOM 0 H GLU A 46 11.412 10.778 -6.243 1.00 1.00 H new ATOM 0 HA GLU A 46 10.551 10.129 -8.821 1.00 1.00 H new ATOM 0 HB2 GLU A 46 12.789 11.871 -7.690 1.00 1.00 H new ATOM 0 HB3 GLU A 46 12.489 11.774 -9.414 1.00 1.00 H new ATOM 0 HG2 GLU A 46 11.303 13.689 -8.832 1.00 1.00 H new ATOM 0 HG3 GLU A 46 10.042 12.472 -8.824 1.00 1.00 H new ATOM 737 N ASP A 47 13.494 8.838 -8.024 1.00 1.00 N ATOM 738 CA ASP A 47 14.477 7.778 -8.296 1.00 1.00 C ATOM 739 C ASP A 47 13.819 6.378 -8.191 1.00 1.00 C ATOM 740 O ASP A 47 13.905 5.558 -9.106 1.00 1.00 O ATOM 741 CB ASP A 47 15.644 7.909 -7.289 1.00 1.00 C ATOM 742 CG ASP A 47 16.896 7.161 -7.764 1.00 1.00 C ATOM 743 OD1 ASP A 47 17.604 7.679 -8.658 1.00 1.00 O ATOM 744 OD2 ASP A 47 17.160 6.043 -7.268 1.00 1.00 O ATOM 0 H ASP A 47 13.633 9.259 -7.105 1.00 1.00 H new ATOM 0 HA ASP A 47 14.857 7.888 -9.312 1.00 1.00 H new ATOM 0 HB2 ASP A 47 15.883 8.963 -7.146 1.00 1.00 H new ATOM 0 HB3 ASP A 47 15.333 7.518 -6.320 1.00 1.00 H new ATOM 749 N LEU A 48 13.118 6.116 -7.078 1.00 1.00 N ATOM 750 CA LEU A 48 12.438 4.851 -6.771 1.00 1.00 C ATOM 751 C LEU A 48 11.369 4.457 -7.818 1.00 1.00 C ATOM 752 O LEU A 48 11.424 3.333 -8.302 1.00 1.00 O ATOM 753 CB LEU A 48 11.894 4.895 -5.326 1.00 1.00 C ATOM 754 CG LEU A 48 12.994 4.949 -4.234 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.412 5.419 -2.894 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.664 3.577 -4.055 1.00 1.00 C ATOM 0 H LEU A 48 13.005 6.809 -6.338 1.00 1.00 H new ATOM 0 HA LEU A 48 13.172 4.047 -6.834 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.249 5.767 -5.219 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.273 4.016 -5.157 1.00 1.00 H new ATOM 0 HG LEU A 48 13.747 5.665 -4.563 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.203 5.449 -2.144 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.986 6.415 -3.012 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.633 4.727 -2.573 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.431 3.644 -3.283 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.915 2.842 -3.759 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.122 3.270 -4.995 1.00 1.00 H new ATOM 768 N GLN A 49 10.446 5.350 -8.218 1.00 1.00 N ATOM 769 CA GLN A 49 9.466 5.148 -9.321 1.00 1.00 C ATOM 770 C GLN A 49 10.121 4.801 -10.690 1.00 1.00 C ATOM 771 O GLN A 49 9.609 3.968 -11.444 1.00 1.00 O ATOM 772 CB GLN A 49 8.534 6.382 -9.444 1.00 1.00 C ATOM 773 CG GLN A 49 9.186 7.646 -10.031 1.00 1.00 C ATOM 774 CD GLN A 49 8.361 8.934 -9.981 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.788 9.956 -10.492 1.00 1.00 O ATOM 776 NE2 GLN A 49 7.210 9.019 -9.358 1.00 1.00 N ATOM 0 H GLN A 49 10.352 6.263 -7.774 1.00 1.00 H new ATOM 0 HA GLN A 49 8.875 4.273 -9.052 1.00 1.00 H new ATOM 0 HB2 GLN A 49 7.681 6.111 -10.066 1.00 1.00 H new ATOM 0 HB3 GLN A 49 8.144 6.621 -8.455 1.00 1.00 H new ATOM 0 HG2 GLN A 49 10.123 7.822 -9.502 1.00 1.00 H new ATOM 0 HG3 GLN A 49 9.440 7.445 -11.072 1.00 1.00 H new ATOM 0 HE21 GLN A 49 6.808 8.193 -8.914 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.716 9.911 -9.318 1.00 1.00 H new ATOM 785 N GLN A 50 11.267 5.428 -11.002 1.00 1.00 N ATOM 786 CA GLN A 50 12.124 5.201 -12.180 1.00 1.00 C ATOM 787 C GLN A 50 12.747 3.790 -12.158 1.00 1.00 C ATOM 788 O GLN A 50 12.427 2.977 -13.026 1.00 1.00 O ATOM 789 CB GLN A 50 13.175 6.330 -12.250 1.00 1.00 C ATOM 790 CG GLN A 50 14.120 6.316 -13.465 1.00 1.00 C ATOM 791 CD GLN A 50 15.188 7.402 -13.316 1.00 1.00 C ATOM 792 OE1 GLN A 50 16.338 7.150 -12.986 1.00 1.00 O ATOM 793 NE2 GLN A 50 14.849 8.657 -13.468 1.00 1.00 N ATOM 0 H GLN A 50 11.646 6.157 -10.397 1.00 1.00 H new ATOM 0 HA GLN A 50 11.527 5.236 -13.091 1.00 1.00 H new ATOM 0 HB2 GLN A 50 12.650 7.285 -12.237 1.00 1.00 H new ATOM 0 HB3 GLN A 50 13.782 6.287 -11.346 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.595 5.339 -13.555 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.550 6.479 -14.380 1.00 1.00 H new ATOM 0 HE21 GLN A 50 13.897 8.898 -13.743 1.00 1.00 H new ATOM 0 HE22 GLN A 50 15.537 9.394 -13.312 1.00 1.00 H new ATOM 802 N LYS A 51 13.573 3.461 -11.144 1.00 1.00 N ATOM 803 CA LYS A 51 14.182 2.121 -10.921 1.00 1.00 C ATOM 804 C LYS A 51 13.139 0.992 -10.790 1.00 1.00 C ATOM 805 O LYS A 51 13.327 -0.081 -11.358 1.00 1.00 O ATOM 806 CB LYS A 51 15.169 2.148 -9.729 1.00 1.00 C ATOM 807 CG LYS A 51 16.562 2.728 -10.067 1.00 1.00 C ATOM 808 CD LYS A 51 16.590 4.252 -10.289 1.00 1.00 C ATOM 809 CE LYS A 51 18.001 4.739 -10.623 1.00 1.00 C ATOM 810 NZ LYS A 51 18.024 6.190 -10.925 1.00 1.00 N ATOM 0 H LYS A 51 13.847 4.138 -10.432 1.00 1.00 H new ATOM 0 HA LYS A 51 14.752 1.884 -11.819 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.730 2.736 -8.923 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.293 1.133 -9.353 1.00 1.00 H new ATOM 0 HG2 LYS A 51 17.249 2.480 -9.258 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.936 2.237 -10.965 1.00 1.00 H new ATOM 0 HD2 LYS A 51 15.910 4.516 -11.099 1.00 1.00 H new ATOM 0 HD3 LYS A 51 16.230 4.759 -9.393 1.00 1.00 H new ATOM 0 HE2 LYS A 51 18.665 4.531 -9.784 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.385 4.183 -11.479 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 18.994 6.480 -11.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 17.396 6.387 -11.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 17.698 6.723 -10.094 1.00 1.00 H new ATOM 824 N ALA A 52 12.005 1.244 -10.127 1.00 1.00 N ATOM 825 CA ALA A 52 10.833 0.357 -10.046 1.00 1.00 C ATOM 826 C ALA A 52 10.145 0.057 -11.401 1.00 1.00 C ATOM 827 O ALA A 52 9.452 -0.955 -11.519 1.00 1.00 O ATOM 828 CB ALA A 52 9.806 1.005 -9.098 1.00 1.00 C ATOM 0 H ALA A 52 11.870 2.111 -9.607 1.00 1.00 H new ATOM 0 HA ALA A 52 11.197 -0.604 -9.682 1.00 1.00 H new ATOM 0 HB1 ALA A 52 8.927 0.365 -9.022 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.251 1.130 -8.111 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.513 1.979 -9.490 1.00 1.00 H new ATOM 834 N GLY A 53 10.310 0.911 -12.424 1.00 1.00 N ATOM 835 CA GLY A 53 9.575 0.821 -13.696 1.00 1.00 C ATOM 836 C GLY A 53 8.041 0.952 -13.554 1.00 1.00 C ATOM 837 O GLY A 53 7.288 0.314 -14.291 1.00 1.00 O ATOM 0 H GLY A 53 10.965 1.692 -12.391 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.934 1.602 -14.366 1.00 1.00 H new ATOM 0 HA3 GLY A 53 9.804 -0.134 -14.168 1.00 1.00 H new ATOM 841 N LYS A 54 7.593 1.716 -12.544 1.00 1.00 N ATOM 842 CA LYS A 54 6.206 1.912 -12.077 1.00 1.00 C ATOM 843 C LYS A 54 6.029 3.343 -11.510 1.00 1.00 C ATOM 844 O LYS A 54 6.757 3.692 -10.573 1.00 1.00 O ATOM 845 CB LYS A 54 5.873 0.840 -11.016 1.00 1.00 C ATOM 846 CG LYS A 54 4.416 0.907 -10.486 1.00 1.00 C ATOM 847 CD LYS A 54 3.545 -0.312 -10.838 1.00 1.00 C ATOM 848 CE LYS A 54 4.054 -1.551 -10.097 1.00 1.00 C ATOM 849 NZ LYS A 54 3.346 -2.785 -10.487 1.00 1.00 N ATOM 0 H LYS A 54 8.248 2.261 -11.983 1.00 1.00 H new ATOM 0 HA LYS A 54 5.515 1.802 -12.913 1.00 1.00 H new ATOM 0 HB2 LYS A 54 6.048 -0.147 -11.444 1.00 1.00 H new ATOM 0 HB3 LYS A 54 6.559 0.949 -10.176 1.00 1.00 H new ATOM 0 HG2 LYS A 54 4.443 1.016 -9.402 1.00 1.00 H new ATOM 0 HG3 LYS A 54 3.940 1.803 -10.884 1.00 1.00 H new ATOM 0 HD2 LYS A 54 2.507 -0.118 -10.568 1.00 1.00 H new ATOM 0 HD3 LYS A 54 3.567 -0.487 -11.914 1.00 1.00 H new ATOM 0 HE2 LYS A 54 5.119 -1.672 -10.292 1.00 1.00 H new ATOM 0 HE3 LYS A 54 3.942 -1.398 -9.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 3.732 -3.590 -9.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 2.332 -2.685 -10.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 3.473 -2.951 -11.506 1.00 1.00 H new ATOM 863 N PRO A 55 5.109 4.181 -12.040 1.00 1.00 N ATOM 864 CA PRO A 55 4.942 5.589 -11.639 1.00 1.00 C ATOM 865 C PRO A 55 4.256 5.755 -10.257 1.00 1.00 C ATOM 866 O PRO A 55 3.129 6.254 -10.156 1.00 1.00 O ATOM 867 CB PRO A 55 4.180 6.231 -12.809 1.00 1.00 C ATOM 868 CG PRO A 55 3.294 5.090 -13.306 1.00 1.00 C ATOM 869 CD PRO A 55 4.201 3.872 -13.143 1.00 1.00 C ATOM 0 HA PRO A 55 5.897 6.088 -11.474 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.590 7.089 -12.485 1.00 1.00 H new ATOM 0 HB3 PRO A 55 4.857 6.585 -13.586 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.382 4.998 -12.717 1.00 1.00 H new ATOM 0 HG3 PRO A 55 2.990 5.234 -14.343 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.616 2.978 -12.926 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.756 3.675 -14.060 1.00 1.00 H new ATOM 877 N VAL A 56 4.954 5.371 -9.177 1.00 1.00 N ATOM 878 CA VAL A 56 4.523 5.530 -7.760 1.00 1.00 C ATOM 879 C VAL A 56 4.335 7.010 -7.339 1.00 1.00 C ATOM 880 O VAL A 56 4.918 7.918 -7.942 1.00 1.00 O ATOM 881 CB VAL A 56 5.457 4.795 -6.750 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.847 3.351 -7.152 1.00 1.00 C ATOM 883 CG2 VAL A 56 6.752 5.550 -6.372 1.00 1.00 C ATOM 0 H VAL A 56 5.867 4.924 -9.258 1.00 1.00 H new ATOM 0 HA VAL A 56 3.545 5.050 -7.719 1.00 1.00 H new ATOM 0 HB VAL A 56 4.809 4.759 -5.874 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.497 2.924 -6.388 1.00 1.00 H new ATOM 0 HG12 VAL A 56 4.947 2.743 -7.244 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.372 3.368 -8.107 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.328 4.953 -5.666 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.346 5.725 -7.269 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.496 6.506 -5.914 1.00 1.00 H new ATOM 893 N GLU A 57 3.612 7.261 -6.243 1.00 1.00 N ATOM 894 CA GLU A 57 3.437 8.573 -5.574 1.00 1.00 C ATOM 895 C GLU A 57 3.857 8.546 -4.088 1.00 1.00 C ATOM 896 O GLU A 57 4.754 9.297 -3.697 1.00 1.00 O ATOM 897 CB GLU A 57 1.998 9.101 -5.771 1.00 1.00 C ATOM 898 CG GLU A 57 1.684 10.456 -5.098 1.00 1.00 C ATOM 899 CD GLU A 57 2.734 11.545 -5.372 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.106 11.771 -6.545 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.276 12.166 -4.428 1.00 1.00 O ATOM 0 H GLU A 57 3.101 6.519 -5.765 1.00 1.00 H new ATOM 0 HA GLU A 57 4.116 9.276 -6.055 1.00 1.00 H new ATOM 0 HB2 GLU A 57 1.808 9.195 -6.840 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.301 8.356 -5.388 1.00 1.00 H new ATOM 0 HG2 GLU A 57 0.712 10.807 -5.445 1.00 1.00 H new ATOM 0 HG3 GLU A 57 1.603 10.306 -4.021 1.00 1.00 H new ATOM 908 N THR A 58 3.242 7.677 -3.275 1.00 1.00 N ATOM 909 CA THR A 58 3.465 7.477 -1.816 1.00 1.00 C ATOM 910 C THR A 58 3.838 6.035 -1.426 1.00 1.00 C ATOM 911 O THR A 58 3.897 5.124 -2.252 1.00 1.00 O ATOM 912 CB THR A 58 2.286 7.985 -0.948 1.00 1.00 C ATOM 913 OG1 THR A 58 1.030 7.539 -1.406 1.00 1.00 O ATOM 914 CG2 THR A 58 2.251 9.507 -0.855 1.00 1.00 C ATOM 0 H THR A 58 2.524 7.047 -3.633 1.00 1.00 H new ATOM 0 HA THR A 58 4.336 8.095 -1.599 1.00 1.00 H new ATOM 0 HB THR A 58 2.470 7.561 0.039 1.00 1.00 H new ATOM 0 HG1 THR A 58 0.669 6.878 -0.779 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.408 9.814 -0.237 1.00 1.00 H new ATOM 0 HG22 THR A 58 3.178 9.866 -0.408 1.00 1.00 H new ATOM 0 HG23 THR A 58 2.142 9.930 -1.854 1.00 1.00 H new ATOM 922 N VAL A 59 4.160 5.849 -0.142 1.00 1.00 N ATOM 923 CA VAL A 59 4.706 4.614 0.480 1.00 1.00 C ATOM 924 C VAL A 59 3.625 3.577 0.869 1.00 1.00 C ATOM 925 O VAL A 59 2.494 3.965 1.173 1.00 1.00 O ATOM 926 CB VAL A 59 5.587 4.934 1.725 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.085 4.820 1.396 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.280 6.305 2.345 1.00 1.00 C ATOM 0 H VAL A 59 4.043 6.596 0.543 1.00 1.00 H new ATOM 0 HA VAL A 59 5.322 4.163 -0.298 1.00 1.00 H new ATOM 0 HB VAL A 59 5.331 4.182 2.472 1.00 1.00 H new ATOM 0 HG11 VAL A 59 7.671 5.049 2.286 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.309 3.806 1.066 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.338 5.524 0.603 1.00 1.00 H new ATOM 0 HG21 VAL A 59 5.927 6.467 3.207 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.457 7.086 1.606 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.238 6.336 2.662 1.00 1.00 H new ATOM 938 N PRO A 60 3.979 2.275 1.003 1.00 1.00 N ATOM 939 CA PRO A 60 5.346 1.706 0.980 1.00 1.00 C ATOM 940 C PRO A 60 6.062 1.666 -0.399 1.00 1.00 C ATOM 941 O PRO A 60 5.456 1.940 -1.433 1.00 1.00 O ATOM 942 CB PRO A 60 5.188 0.325 1.616 1.00 1.00 C ATOM 943 CG PRO A 60 3.761 -0.093 1.235 1.00 1.00 C ATOM 944 CD PRO A 60 2.990 1.213 1.173 1.00 1.00 C ATOM 0 HA PRO A 60 6.025 2.360 1.527 1.00 1.00 H new ATOM 0 HB2 PRO A 60 5.927 -0.379 1.233 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.318 0.366 2.698 1.00 1.00 H new ATOM 0 HG2 PRO A 60 3.741 -0.612 0.277 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.335 -0.772 1.974 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.283 1.206 0.344 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.411 1.365 2.084 1.00 1.00 H new ATOM 952 N GLN A 61 7.374 1.367 -0.373 1.00 1.00 N ATOM 953 CA GLN A 61 8.315 1.242 -1.503 1.00 1.00 C ATOM 954 C GLN A 61 9.373 0.135 -1.251 1.00 1.00 C ATOM 955 O GLN A 61 10.490 0.375 -0.784 1.00 1.00 O ATOM 956 CB GLN A 61 8.961 2.614 -1.858 1.00 1.00 C ATOM 957 CG GLN A 61 8.184 3.437 -2.907 1.00 1.00 C ATOM 958 CD GLN A 61 8.231 2.794 -4.296 1.00 1.00 C ATOM 959 OE1 GLN A 61 7.787 1.694 -4.537 1.00 1.00 O ATOM 960 NE2 GLN A 61 8.774 3.411 -5.313 1.00 1.00 N ATOM 0 H GLN A 61 7.844 1.191 0.515 1.00 1.00 H new ATOM 0 HA GLN A 61 7.743 0.927 -2.376 1.00 1.00 H new ATOM 0 HB2 GLN A 61 9.052 3.205 -0.946 1.00 1.00 H new ATOM 0 HB3 GLN A 61 9.972 2.440 -2.227 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.146 3.539 -2.590 1.00 1.00 H new ATOM 0 HG3 GLN A 61 8.601 4.443 -2.959 1.00 1.00 H new ATOM 0 HE21 GLN A 61 9.171 4.343 -5.191 1.00 1.00 H new ATOM 0 HE22 GLN A 61 8.800 2.961 -6.228 1.00 1.00 H new ATOM 969 N ILE A 62 8.980 -1.108 -1.527 1.00 1.00 N ATOM 970 CA ILE A 62 9.754 -2.368 -1.374 1.00 1.00 C ATOM 971 C ILE A 62 10.167 -3.054 -2.703 1.00 1.00 C ATOM 972 O ILE A 62 9.540 -2.906 -3.747 1.00 1.00 O ATOM 973 CB ILE A 62 8.998 -3.284 -0.370 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.161 -2.624 1.026 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.477 -4.754 -0.345 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.415 -3.268 2.181 1.00 1.00 C ATOM 0 H ILE A 62 8.045 -1.289 -1.891 1.00 1.00 H new ATOM 0 HA ILE A 62 10.732 -2.125 -0.959 1.00 1.00 H new ATOM 0 HB ILE A 62 7.956 -3.357 -0.682 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.223 -2.610 1.273 1.00 1.00 H new ATOM 0 HG13 ILE A 62 8.838 -1.586 0.950 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.892 -5.315 0.384 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.346 -5.196 -1.333 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.531 -4.789 -0.069 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.613 -2.712 3.097 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.345 -3.257 1.974 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.751 -4.298 2.302 1.00 1.00 H new ATOM 988 N PHE A 63 11.278 -3.799 -2.688 1.00 1.00 N ATOM 989 CA PHE A 63 11.791 -4.610 -3.807 1.00 1.00 C ATOM 990 C PHE A 63 12.011 -6.064 -3.334 1.00 1.00 C ATOM 991 O PHE A 63 12.908 -6.339 -2.536 1.00 1.00 O ATOM 992 CB PHE A 63 13.074 -3.975 -4.387 1.00 1.00 C ATOM 993 CG PHE A 63 12.862 -2.699 -5.208 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.498 -1.498 -4.550 1.00 1.00 C ATOM 995 CD2 PHE A 63 13.077 -2.669 -6.607 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.369 -0.287 -5.262 1.00 1.00 C ATOM 997 CE2 PHE A 63 12.940 -1.456 -7.325 1.00 1.00 C ATOM 998 CZ PHE A 63 12.604 -0.261 -6.650 1.00 1.00 C ATOM 0 H PHE A 63 11.873 -3.858 -1.861 1.00 1.00 H new ATOM 0 HA PHE A 63 11.059 -4.633 -4.615 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.751 -3.749 -3.564 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.572 -4.713 -5.016 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.316 -1.510 -3.485 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.347 -3.575 -7.129 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.091 0.618 -4.743 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.093 -1.444 -8.394 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.528 0.668 -7.196 1.00 1.00 H new ATOM 1008 N VAL A 64 11.155 -6.988 -3.783 1.00 1.00 N ATOM 1009 CA VAL A 64 11.215 -8.445 -3.502 1.00 1.00 C ATOM 1010 C VAL A 64 11.896 -9.169 -4.677 1.00 1.00 C ATOM 1011 O VAL A 64 11.542 -8.960 -5.839 1.00 1.00 O ATOM 1012 CB VAL A 64 9.821 -9.068 -3.244 1.00 1.00 C ATOM 1013 CG1 VAL A 64 9.988 -10.530 -2.789 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.033 -8.319 -2.154 1.00 1.00 C ATOM 0 H VAL A 64 10.364 -6.741 -4.378 1.00 1.00 H new ATOM 0 HA VAL A 64 11.795 -8.571 -2.587 1.00 1.00 H new ATOM 0 HB VAL A 64 9.266 -9.001 -4.179 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.007 -10.969 -2.607 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.501 -11.097 -3.566 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.575 -10.561 -1.871 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.064 -8.797 -2.013 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.591 -8.346 -1.218 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.886 -7.283 -2.458 1.00 1.00 H new ATOM 1024 N ASP A 65 12.881 -10.019 -4.381 1.00 1.00 N ATOM 1025 CA ASP A 65 13.805 -10.720 -5.295 1.00 1.00 C ATOM 1026 C ASP A 65 14.259 -9.800 -6.466 1.00 1.00 C ATOM 1027 O ASP A 65 13.952 -9.999 -7.642 1.00 1.00 O ATOM 1028 CB ASP A 65 13.213 -12.103 -5.663 1.00 1.00 C ATOM 1029 CG ASP A 65 13.740 -13.170 -4.692 1.00 1.00 C ATOM 1030 OD1 ASP A 65 13.438 -13.083 -3.486 1.00 1.00 O ATOM 1031 OD2 ASP A 65 14.533 -14.062 -5.072 1.00 1.00 O ATOM 0 H ASP A 65 13.076 -10.261 -3.409 1.00 1.00 H new ATOM 0 HA ASP A 65 14.752 -10.948 -4.805 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.124 -12.066 -5.621 1.00 1.00 H new ATOM 0 HB3 ASP A 65 13.484 -12.364 -6.686 1.00 1.00 H new ATOM 1036 N GLN A 66 14.950 -8.727 -6.055 1.00 1.00 N ATOM 1037 CA GLN A 66 15.483 -7.540 -6.751 1.00 1.00 C ATOM 1038 C GLN A 66 14.495 -6.670 -7.583 1.00 1.00 C ATOM 1039 O GLN A 66 14.931 -5.736 -8.268 1.00 1.00 O ATOM 1040 CB GLN A 66 16.776 -7.894 -7.524 1.00 1.00 C ATOM 1041 CG GLN A 66 17.869 -8.587 -6.684 1.00 1.00 C ATOM 1042 CD GLN A 66 19.277 -8.464 -7.281 1.00 1.00 C ATOM 1043 OE1 GLN A 66 19.513 -8.545 -8.478 1.00 1.00 O ATOM 1044 NE2 GLN A 66 20.285 -8.230 -6.475 1.00 1.00 N ATOM 0 H GLN A 66 15.186 -8.662 -5.065 1.00 1.00 H new ATOM 0 HA GLN A 66 15.715 -6.853 -5.937 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.515 -8.543 -8.360 1.00 1.00 H new ATOM 0 HB3 GLN A 66 17.190 -6.979 -7.948 1.00 1.00 H new ATOM 0 HG2 GLN A 66 17.870 -8.159 -5.682 1.00 1.00 H new ATOM 0 HG3 GLN A 66 17.619 -9.643 -6.579 1.00 1.00 H new ATOM 0 HE21 GLN A 66 20.128 -8.156 -5.470 1.00 1.00 H new ATOM 0 HE22 GLN A 66 21.226 -8.122 -6.853 1.00 1.00 H new ATOM 1053 N GLN A 67 13.175 -6.890 -7.486 1.00 1.00 N ATOM 1054 CA GLN A 67 12.119 -6.254 -8.306 1.00 1.00 C ATOM 1055 C GLN A 67 11.018 -5.565 -7.459 1.00 1.00 C ATOM 1056 O GLN A 67 10.581 -6.095 -6.437 1.00 1.00 O ATOM 1057 CB GLN A 67 11.568 -7.323 -9.280 1.00 1.00 C ATOM 1058 CG GLN A 67 10.538 -6.841 -10.328 1.00 1.00 C ATOM 1059 CD GLN A 67 9.162 -6.450 -9.790 1.00 1.00 C ATOM 1060 OE1 GLN A 67 8.488 -5.574 -10.303 1.00 1.00 O ATOM 1061 NE2 GLN A 67 8.637 -7.055 -8.750 1.00 1.00 N ATOM 0 H GLN A 67 12.792 -7.545 -6.804 1.00 1.00 H new ATOM 0 HA GLN A 67 12.548 -5.432 -8.879 1.00 1.00 H new ATOM 0 HB2 GLN A 67 12.411 -7.767 -9.810 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.108 -8.116 -8.690 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.958 -5.982 -10.852 1.00 1.00 H new ATOM 0 HG3 GLN A 67 10.405 -7.631 -11.067 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.153 -7.797 -8.277 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.713 -6.783 -8.415 1.00 1.00 H new ATOM 1070 N HIS A 68 10.507 -4.407 -7.911 1.00 1.00 N ATOM 1071 CA HIS A 68 9.532 -3.556 -7.188 1.00 1.00 C ATOM 1072 C HIS A 68 8.168 -4.217 -6.855 1.00 1.00 C ATOM 1073 O HIS A 68 7.472 -4.783 -7.698 1.00 1.00 O ATOM 1074 CB HIS A 68 9.308 -2.243 -7.970 1.00 1.00 C ATOM 1075 CG HIS A 68 8.111 -1.441 -7.491 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.814 -1.574 -7.955 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.091 -0.565 -6.444 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.020 -0.789 -7.195 1.00 1.00 C ATOM 1079 NE2 HIS A 68 6.780 -0.172 -6.274 1.00 1.00 N ATOM 0 H HIS A 68 10.766 -4.020 -8.819 1.00 1.00 H new ATOM 0 HA HIS A 68 9.989 -3.369 -6.216 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.203 -1.626 -7.889 1.00 1.00 H new ATOM 0 HB3 HIS A 68 9.177 -2.478 -9.026 1.00 1.00 H new ATOM 0 HD2 HIS A 68 8.940 -0.241 -5.860 1.00 1.00 H new ATOM 0 HE1 HIS A 68 4.952 -0.676 -7.308 1.00 1.00 H new ATOM 0 HE2 HIS A 68 6.443 0.480 -5.566 1.00 1.00 H new ATOM 1088 N ILE A 69 7.743 -4.016 -5.616 1.00 1.00 N ATOM 1089 CA ILE A 69 6.452 -4.327 -4.970 1.00 1.00 C ATOM 1090 C ILE A 69 6.041 -3.081 -4.143 1.00 1.00 C ATOM 1091 O ILE A 69 6.890 -2.269 -3.771 1.00 1.00 O ATOM 1092 CB ILE A 69 6.605 -5.618 -4.105 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.007 -6.875 -4.932 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.365 -5.933 -3.246 1.00 1.00 C ATOM 1095 CD1 ILE A 69 6.014 -7.335 -6.014 1.00 1.00 C ATOM 0 H ILE A 69 8.369 -3.574 -4.944 1.00 1.00 H new ATOM 0 HA ILE A 69 5.664 -4.536 -5.694 1.00 1.00 H new ATOM 0 HB ILE A 69 7.428 -5.382 -3.431 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.965 -6.675 -5.412 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.164 -7.702 -4.240 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.542 -6.842 -2.672 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.175 -5.104 -2.564 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.500 -6.075 -3.894 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.408 -8.217 -6.518 1.00 1.00 H new ATOM 0 HD12 ILE A 69 5.058 -7.579 -5.551 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.872 -6.535 -6.741 1.00 1.00 H new ATOM 1107 N GLY A 70 4.760 -2.893 -3.816 1.00 1.00 N ATOM 1108 CA GLY A 70 4.335 -1.823 -2.892 1.00 1.00 C ATOM 1109 C GLY A 70 5.042 -1.952 -1.533 1.00 1.00 C ATOM 1110 O GLY A 70 5.935 -1.181 -1.180 1.00 1.00 O ATOM 0 H GLY A 70 3.995 -3.464 -4.174 1.00 1.00 H new ATOM 0 HA2 GLY A 70 4.558 -0.850 -3.330 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.255 -1.869 -2.750 1.00 1.00 H new ATOM 1114 N GLY A 71 4.666 -2.976 -0.763 1.00 1.00 N ATOM 1115 CA GLY A 71 5.100 -3.232 0.616 1.00 1.00 C ATOM 1116 C GLY A 71 3.920 -3.621 1.481 1.00 1.00 C ATOM 1117 O GLY A 71 3.045 -4.292 0.962 1.00 1.00 O ATOM 0 H GLY A 71 4.017 -3.687 -1.100 1.00 1.00 H new ATOM 0 HA2 GLY A 71 5.844 -4.028 0.627 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.579 -2.342 1.024 1.00 1.00 H new ATOM 1121 N TYR A 72 3.805 -3.128 2.719 1.00 1.00 N ATOM 1122 CA TYR A 72 2.801 -3.555 3.716 1.00 1.00 C ATOM 1123 C TYR A 72 1.436 -3.991 3.127 1.00 1.00 C ATOM 1124 O TYR A 72 1.025 -5.121 3.358 1.00 1.00 O ATOM 1125 CB TYR A 72 2.620 -2.450 4.781 1.00 1.00 C ATOM 1126 CG TYR A 72 1.670 -2.882 5.873 1.00 1.00 C ATOM 1127 CD1 TYR A 72 0.280 -2.841 5.638 1.00 1.00 C ATOM 1128 CD2 TYR A 72 2.174 -3.554 7.006 1.00 1.00 C ATOM 1129 CE1 TYR A 72 -0.573 -3.599 6.457 1.00 1.00 C ATOM 1130 CE2 TYR A 72 1.303 -4.252 7.865 1.00 1.00 C ATOM 1131 CZ TYR A 72 -0.068 -4.304 7.566 1.00 1.00 C ATOM 1132 OH TYR A 72 -0.877 -5.101 8.313 1.00 1.00 O ATOM 0 H TYR A 72 4.424 -2.398 3.072 1.00 1.00 H new ATOM 0 HA TYR A 72 3.200 -4.460 4.174 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.588 -2.202 5.217 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.242 -1.544 4.306 1.00 1.00 H new ATOM 0 HD1 TYR A 72 -0.123 -2.235 4.840 1.00 1.00 H new ATOM 0 HD2 TYR A 72 3.233 -3.533 7.216 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -1.629 -3.641 6.233 1.00 1.00 H new ATOM 0 HE2 TYR A 72 1.687 -4.743 8.747 1.00 1.00 H new ATOM 0 HH TYR A 72 -0.357 -5.509 9.036 1.00 1.00 H new ATOM 1142 N THR A 73 0.796 -3.146 2.305 1.00 1.00 N ATOM 1143 CA THR A 73 -0.454 -3.461 1.559 1.00 1.00 C ATOM 1144 C THR A 73 -0.315 -4.619 0.539 1.00 1.00 C ATOM 1145 O THR A 73 -0.956 -5.661 0.693 1.00 1.00 O ATOM 1146 CB THR A 73 -1.060 -2.187 0.921 1.00 1.00 C ATOM 1147 OG1 THR A 73 -2.110 -2.549 0.051 1.00 1.00 O ATOM 1148 CG2 THR A 73 -0.079 -1.288 0.149 1.00 1.00 C ATOM 0 H THR A 73 1.133 -2.199 2.129 1.00 1.00 H new ATOM 0 HA THR A 73 -1.157 -3.836 2.303 1.00 1.00 H new ATOM 0 HB THR A 73 -1.402 -1.593 1.769 1.00 1.00 H new ATOM 0 HG1 THR A 73 -2.494 -1.742 -0.351 1.00 1.00 H new ATOM 0 HG21 THR A 73 -0.614 -0.428 -0.253 1.00 1.00 H new ATOM 0 HG22 THR A 73 0.707 -0.945 0.822 1.00 1.00 H new ATOM 0 HG23 THR A 73 0.366 -1.854 -0.670 1.00 1.00 H new ATOM 1156 N ASP A 74 0.547 -4.478 -0.475 1.00 1.00 N ATOM 1157 CA ASP A 74 0.891 -5.477 -1.515 1.00 1.00 C ATOM 1158 C ASP A 74 1.396 -6.828 -0.932 1.00 1.00 C ATOM 1159 O ASP A 74 0.979 -7.917 -1.325 1.00 1.00 O ATOM 1160 CB ASP A 74 1.975 -4.854 -2.443 1.00 1.00 C ATOM 1161 CG ASP A 74 1.799 -5.104 -3.946 1.00 1.00 C ATOM 1162 OD1 ASP A 74 0.950 -5.925 -4.353 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.562 -4.480 -4.718 1.00 1.00 O ATOM 0 H ASP A 74 1.062 -3.607 -0.607 1.00 1.00 H new ATOM 0 HA ASP A 74 -0.018 -5.714 -2.068 1.00 1.00 H new ATOM 0 HB2 ASP A 74 1.994 -3.777 -2.274 1.00 1.00 H new ATOM 0 HB3 ASP A 74 2.948 -5.241 -2.142 1.00 1.00 H new ATOM 1168 N PHE A 75 2.316 -6.728 0.026 1.00 1.00 N ATOM 1169 CA PHE A 75 2.929 -7.754 0.878 1.00 1.00 C ATOM 1170 C PHE A 75 1.917 -8.511 1.763 1.00 1.00 C ATOM 1171 O PHE A 75 1.940 -9.737 1.758 1.00 1.00 O ATOM 1172 CB PHE A 75 4.028 -7.078 1.714 1.00 1.00 C ATOM 1173 CG PHE A 75 5.191 -7.951 2.125 1.00 1.00 C ATOM 1174 CD1 PHE A 75 6.319 -8.017 1.278 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.216 -8.584 3.387 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.486 -8.669 1.709 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.394 -9.224 3.825 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.533 -9.252 2.990 1.00 1.00 C ATOM 0 H PHE A 75 2.699 -5.811 0.254 1.00 1.00 H new ATOM 0 HA PHE A 75 3.356 -8.526 0.238 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.418 -6.233 1.146 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.570 -6.672 2.616 1.00 1.00 H new ATOM 0 HD1 PHE A 75 6.284 -7.566 0.298 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.337 -8.578 4.014 1.00 1.00 H new ATOM 0 HE1 PHE A 75 8.346 -8.723 1.059 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.425 -9.692 4.798 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.442 -9.722 3.335 1.00 1.00 H new ATOM 1188 N ALA A 76 1.022 -7.829 2.498 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.091 -8.456 3.235 1.00 1.00 C ATOM 1190 C ALA A 76 -1.054 -9.202 2.278 1.00 1.00 C ATOM 1191 O ALA A 76 -1.453 -10.329 2.575 1.00 1.00 O ATOM 1192 CB ALA A 76 -0.824 -7.407 4.089 1.00 1.00 C ATOM 0 H ALA A 76 1.051 -6.814 2.599 1.00 1.00 H new ATOM 0 HA ALA A 76 0.321 -9.206 3.910 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.643 -7.884 4.627 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.127 -6.968 4.803 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.222 -6.625 3.442 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.384 -8.618 1.111 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.147 -9.270 0.032 1.00 1.00 C ATOM 1200 C ALA A 77 -1.445 -10.540 -0.531 1.00 1.00 C ATOM 1201 O ALA A 77 -2.089 -11.575 -0.706 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.441 -8.221 -1.057 1.00 1.00 C ATOM 0 H ALA A 77 -1.121 -7.658 0.888 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.087 -9.642 0.439 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -3.006 -8.685 -1.866 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -3.023 -7.405 -0.629 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.502 -7.830 -1.448 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.121 -10.500 -0.724 1.00 1.00 N ATOM 1209 CA TRP A 78 0.777 -11.616 -1.085 1.00 1.00 C ATOM 1210 C TRP A 78 0.818 -12.730 -0.009 1.00 1.00 C ATOM 1211 O TRP A 78 0.629 -13.909 -0.314 1.00 1.00 O ATOM 1212 CB TRP A 78 2.175 -11.052 -1.390 1.00 1.00 C ATOM 1213 CG TRP A 78 3.251 -12.068 -1.607 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.252 -13.019 -2.570 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.445 -12.298 -0.796 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.390 -13.792 -2.442 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.153 -13.399 -1.368 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.976 -11.732 0.393 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.331 -13.906 -0.798 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 6.149 -12.252 0.988 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.827 -13.341 0.394 1.00 1.00 C ATOM 0 H TRP A 78 0.393 -9.625 -0.626 1.00 1.00 H new ATOM 0 HA TRP A 78 0.382 -12.102 -1.977 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.108 -10.425 -2.279 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.473 -10.404 -0.566 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.485 -13.152 -3.319 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.634 -14.560 -3.067 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.476 -10.891 0.850 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.854 -14.724 -1.270 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 6.528 -11.815 1.900 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.721 -13.738 0.852 1.00 1.00 H new ATOM 1232 N VAL A 79 1.094 -12.380 1.256 1.00 1.00 N ATOM 1233 CA VAL A 79 1.020 -13.267 2.446 1.00 1.00 C ATOM 1234 C VAL A 79 -0.352 -13.954 2.550 1.00 1.00 C ATOM 1235 O VAL A 79 -0.403 -15.182 2.605 1.00 1.00 O ATOM 1236 CB VAL A 79 1.408 -12.523 3.751 1.00 1.00 C ATOM 1237 CG1 VAL A 79 1.122 -13.335 5.029 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.914 -12.185 3.753 1.00 1.00 C ATOM 0 H VAL A 79 1.388 -11.433 1.497 1.00 1.00 H new ATOM 0 HA VAL A 79 1.761 -14.055 2.311 1.00 1.00 H new ATOM 0 HB VAL A 79 0.792 -11.624 3.763 1.00 1.00 H new ATOM 0 HG11 VAL A 79 1.418 -12.754 5.903 1.00 1.00 H new ATOM 0 HG12 VAL A 79 0.057 -13.560 5.086 1.00 1.00 H new ATOM 0 HG13 VAL A 79 1.689 -14.266 5.003 1.00 1.00 H new ATOM 0 HG21 VAL A 79 3.169 -11.663 4.676 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.494 -13.106 3.685 1.00 1.00 H new ATOM 0 HG23 VAL A 79 3.145 -11.547 2.900 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.469 -13.205 2.513 1.00 1.00 N ATOM 1249 CA LYS A 80 -2.848 -13.753 2.534 1.00 1.00 C ATOM 1250 C LYS A 80 -3.214 -14.626 1.307 1.00 1.00 C ATOM 1251 O LYS A 80 -3.916 -15.617 1.470 1.00 1.00 O ATOM 1252 CB LYS A 80 -3.856 -12.658 2.933 1.00 1.00 C ATOM 1253 CG LYS A 80 -4.419 -11.760 1.835 1.00 1.00 C ATOM 1254 CD LYS A 80 -5.266 -10.621 2.434 1.00 1.00 C ATOM 1255 CE LYS A 80 -4.433 -9.503 3.094 1.00 1.00 C ATOM 1256 NZ LYS A 80 -5.302 -8.548 3.823 1.00 1.00 N ATOM 0 H LYS A 80 -1.444 -12.186 2.467 1.00 1.00 H new ATOM 0 HA LYS A 80 -2.904 -14.500 3.325 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -4.696 -13.144 3.429 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -3.376 -12.018 3.673 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -3.602 -11.340 1.249 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.029 -12.352 1.153 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -5.881 -10.186 1.646 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -5.947 -11.039 3.175 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -3.712 -9.942 3.783 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -3.863 -8.972 2.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -4.716 -7.807 4.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -5.974 -8.113 3.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -5.827 -9.053 4.565 1.00 1.00 H new ATOM 1270 N GLU A 81 -2.700 -14.321 0.108 1.00 1.00 N ATOM 1271 CA GLU A 81 -2.786 -15.142 -1.140 1.00 1.00 C ATOM 1272 C GLU A 81 -2.119 -16.541 -0.983 1.00 1.00 C ATOM 1273 O GLU A 81 -2.446 -17.466 -1.722 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.142 -14.327 -2.302 1.00 1.00 C ATOM 1275 CG GLU A 81 -1.906 -15.019 -3.660 1.00 1.00 C ATOM 1276 CD GLU A 81 -1.037 -14.157 -4.602 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -1.563 -13.224 -5.262 1.00 1.00 O ATOM 1278 OE2 GLU A 81 0.177 -14.434 -4.771 1.00 1.00 O ATOM 0 H GLU A 81 -2.184 -13.454 -0.041 1.00 1.00 H new ATOM 0 HA GLU A 81 -3.834 -15.344 -1.361 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -2.772 -13.456 -2.482 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -1.179 -13.957 -1.950 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -1.421 -15.981 -3.498 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -2.865 -15.222 -4.136 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.227 -16.709 0.007 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.590 -17.960 0.438 1.00 1.00 C ATOM 1287 C ASN A 82 -1.269 -18.597 1.687 1.00 1.00 C ATOM 1288 O ASN A 82 -1.669 -19.764 1.653 1.00 1.00 O ATOM 1289 CB ASN A 82 0.915 -17.664 0.688 1.00 1.00 C ATOM 1290 CG ASN A 82 1.769 -17.480 -0.559 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.654 -18.271 -0.850 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.657 -16.380 -1.258 1.00 1.00 N ATOM 0 H ASN A 82 -0.911 -15.916 0.566 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.706 -18.705 -0.349 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.993 -16.762 1.295 1.00 1.00 H new ATOM 0 HB3 ASN A 82 1.334 -18.481 1.275 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.301 -16.197 -2.028 1.00 1.00 H new ATOM 0 HD22 ASN A 82 0.926 -15.705 -1.033 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.340 -17.863 2.806 1.00 1.00 N ATOM 1300 CA LEU A 83 -1.783 -18.306 4.148 1.00 1.00 C ATOM 1301 C LEU A 83 -3.302 -18.280 4.445 1.00 1.00 C ATOM 1302 O LEU A 83 -3.765 -19.074 5.264 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.023 -17.492 5.220 1.00 1.00 C ATOM 1304 CG LEU A 83 0.517 -17.421 5.088 1.00 1.00 C ATOM 1305 CD1 LEU A 83 1.120 -16.858 6.375 1.00 1.00 C ATOM 1306 CD2 LEU A 83 1.172 -18.771 4.793 1.00 1.00 C ATOM 0 H LEU A 83 -1.073 -16.878 2.805 1.00 1.00 H new ATOM 0 HA LEU A 83 -1.543 -19.369 4.174 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -1.411 -16.473 5.210 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -1.260 -17.914 6.197 1.00 1.00 H new ATOM 0 HG LEU A 83 0.717 -16.771 4.236 1.00 1.00 H new ATOM 0 HD11 LEU A 83 2.205 -16.810 6.278 1.00 1.00 H new ATOM 0 HD12 LEU A 83 0.727 -15.857 6.554 1.00 1.00 H new ATOM 0 HD13 LEU A 83 0.859 -17.505 7.212 1.00 1.00 H new ATOM 0 HD21 LEU A 83 2.251 -18.642 4.714 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.948 -19.468 5.600 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.784 -19.166 3.854 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.074 -17.375 3.830 1.00 1.00 N ATOM 1319 CA ASP A 84 -5.550 -17.308 3.868 1.00 1.00 C ATOM 1320 C ASP A 84 -6.229 -17.927 2.609 1.00 1.00 C ATOM 1321 O ASP A 84 -7.455 -17.847 2.456 1.00 1.00 O ATOM 1322 CB ASP A 84 -5.979 -15.842 4.076 1.00 1.00 C ATOM 1323 CG ASP A 84 -5.514 -15.168 5.376 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -4.982 -15.831 6.301 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -5.764 -13.948 5.508 1.00 1.00 O ATOM 0 H ASP A 84 -3.671 -16.630 3.262 1.00 1.00 H new ATOM 0 HA ASP A 84 -5.891 -17.917 4.705 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.607 -15.255 3.236 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.067 -15.797 4.039 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.435 -18.548 1.723 1.00 1.00 N ATOM 1331 CA ALA A 85 -5.743 -19.142 0.414 1.00 1.00 C ATOM 1332 C ALA A 85 -6.895 -20.175 0.428 1.00 1.00 C ATOM 1333 O ALA A 85 -6.948 -21.067 1.307 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.428 -19.755 -0.104 1.00 1.00 C ATOM 1335 OXT ALA A 85 -7.782 -20.093 -0.450 1.00 1.00 O ATOM 0 H ALA A 85 -4.443 -18.658 1.933 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.118 -18.363 -0.249 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.599 -20.213 -1.078 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -3.674 -18.973 -0.197 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.079 -20.513 0.597 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.867 2.943 1.640 1.00 1.00 N ATOM 1578 CA GLU B 144 -0.956 3.429 0.561 1.00 1.00 C ATOM 1579 C GLU B 144 -0.322 4.832 0.813 1.00 1.00 C ATOM 1580 O GLU B 144 0.139 5.486 -0.126 1.00 1.00 O ATOM 1581 CB GLU B 144 -1.726 3.384 -0.790 1.00 1.00 C ATOM 1582 CG GLU B 144 -1.838 1.976 -1.402 1.00 1.00 C ATOM 1583 CD GLU B 144 -0.595 1.566 -2.225 1.00 1.00 C ATOM 1584 OE1 GLU B 144 0.541 1.568 -1.694 1.00 1.00 O ATOM 1585 OE2 GLU B 144 -0.755 1.239 -3.429 1.00 1.00 O ATOM 0 HA GLU B 144 -0.097 2.759 0.542 1.00 1.00 H new ATOM 0 HB2 GLU B 144 -2.729 3.783 -0.638 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -1.226 4.040 -1.503 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -1.991 1.251 -0.603 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -2.719 1.935 -2.043 1.00 1.00 H new ATOM 1592 N SER B 145 -0.278 5.334 2.063 1.00 1.00 N ATOM 1593 CA SER B 145 0.191 6.700 2.421 1.00 1.00 C ATOM 1594 C SER B 145 1.352 6.777 3.440 1.00 1.00 C ATOM 1595 O SER B 145 1.526 5.922 4.310 1.00 1.00 O ATOM 1596 CB SER B 145 -1.000 7.576 2.860 1.00 1.00 C ATOM 1597 OG SER B 145 -1.176 7.632 4.269 1.00 1.00 O ATOM 0 H SER B 145 -0.573 4.793 2.876 1.00 1.00 H new ATOM 0 HA SER B 145 0.631 7.092 1.504 1.00 1.00 H new ATOM 0 HB2 SER B 145 -0.856 8.587 2.480 1.00 1.00 H new ATOM 0 HB3 SER B 145 -1.912 7.191 2.403 1.00 1.00 H new ATOM 0 HG SER B 145 -1.944 8.203 4.480 1.00 1.00 H new ATOM 1603 N GLY B 146 2.139 7.857 3.369 1.00 1.00 N ATOM 1604 CA GLY B 146 3.186 8.207 4.350 1.00 1.00 C ATOM 1605 C GLY B 146 4.172 9.323 3.982 1.00 1.00 C ATOM 1606 O GLY B 146 4.857 9.827 4.871 1.00 1.00 O ATOM 0 H GLY B 146 2.067 8.533 2.609 1.00 1.00 H new ATOM 0 HA2 GLY B 146 2.692 8.491 5.279 1.00 1.00 H new ATOM 0 HA3 GLY B 146 3.763 7.306 4.558 1.00 1.00 H new ATOM 1610 N ALA B 147 4.286 9.699 2.699 1.00 1.00 N ATOM 1611 CA ALA B 147 5.158 10.779 2.199 1.00 1.00 C ATOM 1612 C ALA B 147 6.658 10.648 2.620 1.00 1.00 C ATOM 1613 O ALA B 147 7.389 11.637 2.771 1.00 1.00 O ATOM 1614 CB ALA B 147 4.479 12.130 2.492 1.00 1.00 C ATOM 0 H ALA B 147 3.757 9.246 1.954 1.00 1.00 H new ATOM 0 HA ALA B 147 5.256 10.696 1.117 1.00 1.00 H new ATOM 0 HB1 ALA B 147 5.110 12.941 2.129 1.00 1.00 H new ATOM 0 HB2 ALA B 147 3.513 12.169 1.988 1.00 1.00 H new ATOM 0 HB3 ALA B 147 4.332 12.238 3.567 1.00 1.00 H new ATOM 1620 N CYS B 148 7.154 9.405 2.729 1.00 1.00 N ATOM 1621 CA CYS B 148 8.544 9.067 3.039 1.00 1.00 C ATOM 1622 C CYS B 148 9.392 9.394 1.782 1.00 1.00 C ATOM 1623 O CYS B 148 9.153 8.874 0.685 1.00 1.00 O ATOM 1624 CB CYS B 148 8.631 7.590 3.463 1.00 1.00 C ATOM 1625 SG CYS B 148 8.534 7.253 5.253 1.00 1.00 S ATOM 0 H CYS B 148 6.571 8.578 2.598 1.00 1.00 H new ATOM 0 HA CYS B 148 8.932 9.647 3.876 1.00 1.00 H new ATOM 0 HB2 CYS B 148 7.827 7.045 2.969 1.00 1.00 H new ATOM 0 HB3 CYS B 148 9.570 7.182 3.089 1.00 1.00 H new ATOM 1630 N LYS B 149 10.374 10.288 1.978 1.00 1.00 N ATOM 1631 CA LYS B 149 11.249 10.974 0.990 1.00 1.00 C ATOM 1632 C LYS B 149 12.195 11.979 1.679 1.00 1.00 C ATOM 1633 O LYS B 149 11.865 12.493 2.750 1.00 1.00 O ATOM 1634 CB LYS B 149 10.310 11.731 0.001 1.00 1.00 C ATOM 1635 CG LYS B 149 10.916 12.739 -0.992 1.00 1.00 C ATOM 1636 CD LYS B 149 9.856 13.214 -2.006 1.00 1.00 C ATOM 1637 CE LYS B 149 10.316 14.417 -2.838 1.00 1.00 C ATOM 1638 NZ LYS B 149 9.387 14.674 -3.968 1.00 1.00 N ATOM 0 H LYS B 149 10.605 10.585 2.926 1.00 1.00 H new ATOM 0 HA LYS B 149 11.873 10.244 0.475 1.00 1.00 H new ATOM 0 HB2 LYS B 149 9.774 10.981 -0.580 1.00 1.00 H new ATOM 0 HB3 LYS B 149 9.568 12.263 0.596 1.00 1.00 H new ATOM 0 HG2 LYS B 149 11.316 13.595 -0.449 1.00 1.00 H new ATOM 0 HG3 LYS B 149 11.751 12.279 -1.521 1.00 1.00 H new ATOM 0 HD2 LYS B 149 9.608 12.390 -2.675 1.00 1.00 H new ATOM 0 HD3 LYS B 149 8.943 13.477 -1.472 1.00 1.00 H new ATOM 0 HE2 LYS B 149 10.374 15.301 -2.203 1.00 1.00 H new ATOM 0 HE3 LYS B 149 11.319 14.234 -3.223 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 9.887 14.530 -4.868 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 8.582 14.019 -3.911 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 9.041 15.653 -3.917 1.00 1.00 H new ATOM 1652 N ILE B 150 13.322 12.271 1.013 1.00 1.00 N ATOM 1653 CA ILE B 150 14.368 13.293 1.289 1.00 1.00 C ATOM 1654 C ILE B 150 13.841 14.681 1.709 1.00 1.00 C ATOM 1655 O ILE B 150 14.444 15.257 2.641 1.00 1.00 O ATOM 1656 CB ILE B 150 15.333 13.366 0.070 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.567 14.282 0.275 1.00 1.00 C ATOM 1658 CG2 ILE B 150 14.575 13.804 -1.199 1.00 1.00 C ATOM 1659 CD1 ILE B 150 17.528 13.801 1.372 1.00 1.00 C ATOM 1660 OXT ILE B 150 12.797 15.146 1.202 1.00 1.00 O ATOM 0 H ILE B 150 13.558 11.743 0.173 1.00 1.00 H new ATOM 0 HA ILE B 150 14.908 12.962 2.176 1.00 1.00 H new ATOM 0 HB ILE B 150 15.719 12.353 -0.043 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.113 14.354 -0.666 1.00 1.00 H new ATOM 0 HG13 ILE B 150 16.224 15.287 0.522 1.00 1.00 H new ATOM 0 HG21 ILE B 150 15.268 13.849 -2.039 1.00 1.00 H new ATOM 0 HG22 ILE B 150 13.785 13.085 -1.417 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.135 14.788 -1.039 1.00 1.00 H new ATOM 0 HD11 ILE B 150 18.364 14.495 1.453 1.00 1.00 H new ATOM 0 HD12 ILE B 150 17.000 13.756 2.324 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.903 12.810 1.118 1.00 1.00 H new