USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 22 THR OG1 : rot -80:sc= -0.0994 USER MOD Set 1.2: A 55 GLN : amide:sc= 0.0829 K(o=-0.017,f=-8.2!) USER MOD Single : A 3 THR OG1 : rot -160:sc= -2.29! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 25:sc= 0.189 USER MOD Single : A 21 THR OG1 : rot 57:sc= -0.0508 USER MOD Single : A 24 SER OG : rot 180:sc= 0.137 USER MOD Single : A 26 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.52) USER MOD Single : A 29 THR OG1 : rot -11:sc= 0.831! USER MOD Single : A 30 GLN : amide:sc= -2.6 X(o=-2.6,f=-2.4) USER MOD Single : A 31 THR OG1 : rot -88:sc= 0.0192 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0968 USER MOD Single : A 35 SER OG : rot 180:sc= -1.44 USER MOD Single : A 36 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.4!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.135 USER MOD Single : A 71 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.3!) USER MOD Single : A 72 THR OG1 : rot 56:sc= 0.966 USER MOD Single : A 77 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.065) USER MOD Single : A 81 SER OG : rot 55:sc= 1.19 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -42:sc= 1.01 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.749 -0.019 -2.374 1.00 5.23 N ATOM 2 CA PRO A 1 4.883 -0.903 -2.659 1.00 61.31 C ATOM 3 C PRO A 1 4.686 -1.703 -3.942 1.00 75.03 C ATOM 4 O PRO A 1 4.315 -2.877 -3.903 1.00 73.05 O ATOM 5 CB PRO A 1 4.918 -1.837 -1.447 1.00 22.40 C ATOM 6 CG PRO A 1 3.521 -1.842 -0.931 1.00 55.34 C ATOM 7 CD PRO A 1 2.974 -0.468 -1.205 1.00 51.13 C ATOM 0 H2 PRO A 1 3.138 0.022 -3.190 1.00 5.23 H new ATOM 0 H3 PRO A 1 4.091 0.928 -2.210 1.00 5.23 H new ATOM 0 HA PRO A 1 5.807 -0.345 -2.811 1.00 61.31 H new ATOM 0 HB2 PRO A 1 5.239 -2.840 -1.729 1.00 22.40 H new ATOM 0 HB3 PRO A 1 5.618 -1.479 -0.692 1.00 22.40 H new ATOM 0 HG2 PRO A 1 2.924 -2.606 -1.428 1.00 55.34 H new ATOM 0 HG3 PRO A 1 3.500 -2.065 0.136 1.00 55.34 H new ATOM 0 HD2 PRO A 1 1.905 -0.496 -1.418 1.00 51.13 H new ATOM 0 HD3 PRO A 1 3.112 0.197 -0.352 1.00 51.13 H new ATOM 15 N LEU A 2 4.936 -1.061 -5.078 1.00 73.32 N ATOM 16 CA LEU A 2 4.786 -1.714 -6.374 1.00 52.55 C ATOM 17 C LEU A 2 6.013 -2.558 -6.704 1.00 53.44 C ATOM 18 O LEU A 2 6.654 -2.364 -7.738 1.00 1.13 O ATOM 19 CB LEU A 2 4.561 -0.670 -7.470 1.00 3.42 C ATOM 20 CG LEU A 2 3.127 -0.164 -7.632 1.00 22.34 C ATOM 21 CD1 LEU A 2 2.791 0.846 -6.545 1.00 63.43 C ATOM 22 CD2 LEU A 2 2.930 0.448 -9.011 1.00 32.22 C ATOM 0 H LEU A 2 5.243 -0.090 -5.128 1.00 73.32 H new ATOM 0 HA LEU A 2 3.918 -2.372 -6.324 1.00 52.55 H new ATOM 0 HB2 LEU A 2 5.206 0.185 -7.267 1.00 3.42 H new ATOM 0 HB3 LEU A 2 4.885 -1.095 -8.420 1.00 3.42 H new ATOM 0 HG LEU A 2 2.449 -1.012 -7.533 1.00 22.34 H new ATOM 0 HD11 LEU A 2 1.767 1.195 -6.677 1.00 63.43 H new ATOM 0 HD12 LEU A 2 2.891 0.375 -5.567 1.00 63.43 H new ATOM 0 HD13 LEU A 2 3.474 1.693 -6.611 1.00 63.43 H new ATOM 0 HD21 LEU A 2 1.904 0.803 -9.108 1.00 32.22 H new ATOM 0 HD22 LEU A 2 3.617 1.285 -9.139 1.00 32.22 H new ATOM 0 HD23 LEU A 2 3.128 -0.304 -9.775 1.00 32.22 H new ATOM 34 N THR A 3 6.333 -3.497 -5.820 1.00 64.44 N ATOM 35 CA THR A 3 7.482 -4.372 -6.018 1.00 22.23 C ATOM 36 C THR A 3 7.048 -5.827 -6.155 1.00 63.00 C ATOM 37 O THR A 3 5.995 -6.220 -5.654 1.00 74.24 O ATOM 38 CB THR A 3 8.484 -4.255 -4.854 1.00 2.14 C ATOM 39 OG1 THR A 3 7.890 -3.536 -3.767 1.00 5.02 O ATOM 40 CG2 THR A 3 9.754 -3.548 -5.302 1.00 64.01 C ATOM 0 H THR A 3 5.813 -3.671 -4.960 1.00 64.44 H new ATOM 0 HA THR A 3 7.968 -4.052 -6.940 1.00 22.23 H new ATOM 0 HB THR A 3 8.744 -5.261 -4.525 1.00 2.14 H new ATOM 0 HG1 THR A 3 8.594 -3.190 -3.180 1.00 5.02 H new ATOM 0 HG21 THR A 3 10.446 -3.477 -4.463 1.00 64.01 H new ATOM 0 HG22 THR A 3 10.219 -4.113 -6.110 1.00 64.01 H new ATOM 0 HG23 THR A 3 9.508 -2.546 -5.655 1.00 64.01 H new ATOM 48 N ARG A 4 7.867 -6.622 -6.836 1.00 22.23 N ATOM 49 CA ARG A 4 7.567 -8.034 -7.039 1.00 20.30 C ATOM 50 C ARG A 4 8.690 -8.913 -6.494 1.00 54.43 C ATOM 51 O ARG A 4 9.825 -8.471 -6.313 1.00 55.13 O ATOM 52 CB ARG A 4 7.355 -8.324 -8.526 1.00 54.51 C ATOM 53 CG ARG A 4 5.894 -8.495 -8.911 1.00 21.24 C ATOM 54 CD ARG A 4 5.624 -7.979 -10.315 1.00 74.53 C ATOM 55 NE ARG A 4 4.211 -8.082 -10.673 1.00 44.24 N ATOM 56 CZ ARG A 4 3.606 -9.230 -10.954 1.00 33.31 C ATOM 57 NH1 ARG A 4 4.285 -10.368 -10.917 1.00 63.24 N ATOM 58 NH2 ARG A 4 2.317 -9.242 -11.271 1.00 64.21 N ATOM 0 H ARG A 4 8.743 -6.312 -7.256 1.00 22.23 H new ATOM 0 HA ARG A 4 6.651 -8.266 -6.496 1.00 20.30 H new ATOM 0 HB2 ARG A 4 7.783 -7.510 -9.111 1.00 54.51 H new ATOM 0 HB3 ARG A 4 7.901 -9.229 -8.792 1.00 54.51 H new ATOM 0 HG2 ARG A 4 5.622 -9.549 -8.851 1.00 21.24 H new ATOM 0 HG3 ARG A 4 5.264 -7.962 -8.199 1.00 21.24 H new ATOM 0 HD2 ARG A 4 5.941 -6.939 -10.386 1.00 74.53 H new ATOM 0 HD3 ARG A 4 6.222 -8.544 -11.030 1.00 74.53 H new ATOM 0 HE ARG A 4 3.659 -7.225 -10.709 1.00 44.24 H new ATOM 0 HH11 ARG A 4 5.275 -10.363 -10.672 1.00 63.24 H new ATOM 0 HH12 ARG A 4 3.817 -11.248 -11.133 1.00 63.24 H new ATOM 0 HH21 ARG A 4 1.791 -8.369 -11.299 1.00 64.21 H new ATOM 0 HH22 ARG A 4 1.853 -10.124 -11.487 1.00 64.21 H new ATOM 72 N PRO A 5 8.367 -10.187 -6.226 1.00 2.42 N ATOM 73 CA PRO A 5 9.334 -11.154 -5.698 1.00 44.41 C ATOM 74 C PRO A 5 10.393 -11.536 -6.727 1.00 52.52 C ATOM 75 O PRO A 5 10.220 -12.491 -7.485 1.00 13.52 O ATOM 76 CB PRO A 5 8.468 -12.366 -5.347 1.00 3.24 C ATOM 77 CG PRO A 5 7.280 -12.254 -6.239 1.00 4.03 C ATOM 78 CD PRO A 5 7.034 -10.781 -6.417 1.00 71.44 C ATOM 0 HA PRO A 5 9.892 -10.752 -4.852 1.00 44.41 H new ATOM 0 HB2 PRO A 5 9.005 -13.299 -5.518 1.00 3.24 H new ATOM 0 HB3 PRO A 5 8.177 -12.354 -4.297 1.00 3.24 H new ATOM 0 HG2 PRO A 5 7.465 -12.738 -7.198 1.00 4.03 H new ATOM 0 HG3 PRO A 5 6.412 -12.744 -5.797 1.00 4.03 H new ATOM 0 HD2 PRO A 5 6.632 -10.557 -7.405 1.00 71.44 H new ATOM 0 HD3 PRO A 5 6.317 -10.402 -5.688 1.00 71.44 H new ATOM 86 N TYR A 6 11.488 -10.785 -6.749 1.00 3.33 N ATOM 87 CA TYR A 6 12.574 -11.044 -7.687 1.00 2.24 C ATOM 88 C TYR A 6 13.894 -11.249 -6.949 1.00 52.10 C ATOM 89 O TYR A 6 14.305 -10.413 -6.143 1.00 60.01 O ATOM 90 CB TYR A 6 12.706 -9.887 -8.679 1.00 21.02 C ATOM 91 CG TYR A 6 12.552 -10.307 -10.123 1.00 22.50 C ATOM 92 CD1 TYR A 6 11.349 -10.818 -10.594 1.00 62.41 C ATOM 93 CD2 TYR A 6 13.610 -10.193 -11.017 1.00 10.33 C ATOM 94 CE1 TYR A 6 11.205 -11.204 -11.913 1.00 34.55 C ATOM 95 CE2 TYR A 6 13.474 -10.575 -12.337 1.00 51.23 C ATOM 96 CZ TYR A 6 12.270 -11.081 -12.780 1.00 54.42 C ATOM 97 OH TYR A 6 12.129 -11.463 -14.095 1.00 1.33 O ATOM 0 H TYR A 6 11.647 -9.992 -6.128 1.00 3.33 H new ATOM 0 HA TYR A 6 12.338 -11.957 -8.233 1.00 2.24 H new ATOM 0 HB2 TYR A 6 11.954 -9.133 -8.447 1.00 21.02 H new ATOM 0 HB3 TYR A 6 13.681 -9.417 -8.548 1.00 21.02 H new ATOM 0 HD1 TYR A 6 10.512 -10.915 -9.918 1.00 62.41 H new ATOM 0 HD2 TYR A 6 14.555 -9.799 -10.673 1.00 10.33 H new ATOM 0 HE1 TYR A 6 10.263 -11.600 -12.263 1.00 34.55 H new ATOM 0 HE2 TYR A 6 14.306 -10.478 -13.019 1.00 51.23 H new ATOM 0 HH TYR A 6 12.971 -11.311 -14.572 1.00 1.33 H new ATOM 107 N LEU A 7 14.554 -12.367 -7.231 1.00 12.20 N ATOM 108 CA LEU A 7 15.828 -12.684 -6.596 1.00 3.31 C ATOM 109 C LEU A 7 16.997 -12.241 -7.470 1.00 62.21 C ATOM 110 O LEU A 7 17.122 -12.664 -8.619 1.00 33.03 O ATOM 111 CB LEU A 7 15.923 -14.185 -6.319 1.00 63.23 C ATOM 112 CG LEU A 7 15.965 -15.093 -7.549 1.00 42.11 C ATOM 113 CD1 LEU A 7 17.350 -15.699 -7.718 1.00 53.03 C ATOM 114 CD2 LEU A 7 14.912 -16.186 -7.441 1.00 50.04 C ATOM 0 H LEU A 7 14.228 -13.069 -7.895 1.00 12.20 H new ATOM 0 HA LEU A 7 15.879 -12.143 -5.651 1.00 3.31 H new ATOM 0 HB2 LEU A 7 16.819 -14.369 -5.726 1.00 63.23 H new ATOM 0 HB3 LEU A 7 15.070 -14.476 -5.706 1.00 63.23 H new ATOM 0 HG LEU A 7 15.745 -14.490 -8.430 1.00 42.11 H new ATOM 0 HD11 LEU A 7 17.361 -16.342 -8.598 1.00 53.03 H new ATOM 0 HD12 LEU A 7 18.083 -14.902 -7.842 1.00 53.03 H new ATOM 0 HD13 LEU A 7 17.600 -16.288 -6.835 1.00 53.03 H new ATOM 0 HD21 LEU A 7 14.956 -16.823 -8.325 1.00 50.04 H new ATOM 0 HD22 LEU A 7 15.101 -16.787 -6.551 1.00 50.04 H new ATOM 0 HD23 LEU A 7 13.923 -15.733 -7.369 1.00 50.04 H new ATOM 126 N GLY A 8 17.854 -11.388 -6.917 1.00 11.13 N ATOM 127 CA GLY A 8 19.003 -10.904 -7.659 1.00 51.13 C ATOM 128 C GLY A 8 20.294 -11.029 -6.875 1.00 43.15 C ATOM 129 O GLY A 8 21.260 -10.312 -7.138 1.00 65.53 O ATOM 0 H GLY A 8 17.773 -11.024 -5.968 1.00 11.13 H new ATOM 0 HA2 GLY A 8 19.092 -11.463 -8.591 1.00 51.13 H new ATOM 0 HA3 GLY A 8 18.844 -9.860 -7.928 1.00 51.13 H new ATOM 133 N PHE A 9 20.312 -11.940 -5.908 1.00 71.35 N ATOM 134 CA PHE A 9 21.494 -12.155 -5.082 1.00 13.15 C ATOM 135 C PHE A 9 21.719 -13.643 -4.830 1.00 72.14 C ATOM 136 O PHE A 9 21.040 -14.491 -5.410 1.00 14.14 O ATOM 137 CB PHE A 9 21.350 -11.417 -3.749 1.00 25.23 C ATOM 138 CG PHE A 9 20.350 -12.044 -2.821 1.00 35.41 C ATOM 139 CD1 PHE A 9 19.004 -12.076 -3.151 1.00 2.11 C ATOM 140 CD2 PHE A 9 20.754 -12.603 -1.619 1.00 60.03 C ATOM 141 CE1 PHE A 9 18.081 -12.652 -2.299 1.00 1.35 C ATOM 142 CE2 PHE A 9 19.835 -13.181 -0.763 1.00 45.30 C ATOM 143 CZ PHE A 9 18.497 -13.206 -1.104 1.00 4.12 C ATOM 0 H PHE A 9 19.521 -12.541 -5.677 1.00 71.35 H new ATOM 0 HA PHE A 9 22.358 -11.761 -5.618 1.00 13.15 H new ATOM 0 HB2 PHE A 9 22.321 -11.384 -3.255 1.00 25.23 H new ATOM 0 HB3 PHE A 9 21.056 -10.386 -3.944 1.00 25.23 H new ATOM 0 HD1 PHE A 9 18.673 -11.646 -4.085 1.00 2.11 H new ATOM 0 HD2 PHE A 9 21.799 -12.587 -1.348 1.00 60.03 H new ATOM 0 HE1 PHE A 9 17.035 -12.669 -2.567 1.00 1.35 H new ATOM 0 HE2 PHE A 9 20.163 -13.612 0.171 1.00 45.30 H new ATOM 0 HZ PHE A 9 17.777 -13.658 -0.438 1.00 4.12 H new ATOM 153 N ARG A 10 22.677 -13.952 -3.963 1.00 64.34 N ATOM 154 CA ARG A 10 22.994 -15.337 -3.636 1.00 61.44 C ATOM 155 C ARG A 10 22.817 -15.598 -2.143 1.00 42.43 C ATOM 156 O ARG A 10 23.192 -14.772 -1.310 1.00 35.41 O ATOM 157 CB ARG A 10 24.427 -15.668 -4.056 1.00 45.13 C ATOM 158 CG ARG A 10 24.534 -16.238 -5.461 1.00 45.34 C ATOM 159 CD ARG A 10 25.635 -17.283 -5.556 1.00 40.24 C ATOM 160 NE ARG A 10 25.113 -18.641 -5.430 1.00 54.33 N ATOM 161 CZ ARG A 10 24.525 -19.297 -6.424 1.00 63.44 C ATOM 162 NH1 ARG A 10 24.387 -18.724 -7.612 1.00 13.23 N ATOM 163 NH2 ARG A 10 24.076 -20.531 -6.232 1.00 55.11 N ATOM 0 H ARG A 10 23.247 -13.262 -3.474 1.00 64.34 H new ATOM 0 HA ARG A 10 22.305 -15.980 -4.184 1.00 61.44 H new ATOM 0 HB2 ARG A 10 25.033 -14.764 -3.993 1.00 45.13 H new ATOM 0 HB3 ARG A 10 24.847 -16.384 -3.350 1.00 45.13 H new ATOM 0 HG2 ARG A 10 23.582 -16.684 -5.747 1.00 45.34 H new ATOM 0 HG3 ARG A 10 24.734 -15.432 -6.167 1.00 45.34 H new ATOM 0 HD2 ARG A 10 26.151 -17.180 -6.511 1.00 40.24 H new ATOM 0 HD3 ARG A 10 26.373 -17.104 -4.774 1.00 40.24 H new ATOM 0 HE ARG A 10 25.205 -19.111 -4.530 1.00 54.33 H new ATOM 0 HH11 ARG A 10 24.733 -17.777 -7.765 1.00 13.23 H new ATOM 0 HH12 ARG A 10 23.935 -19.231 -8.373 1.00 13.23 H new ATOM 0 HH21 ARG A 10 24.182 -20.976 -5.321 1.00 55.11 H new ATOM 0 HH22 ARG A 10 23.625 -21.034 -6.996 1.00 55.11 H new ATOM 177 N VAL A 11 22.244 -16.750 -1.813 1.00 34.24 N ATOM 178 CA VAL A 11 22.017 -17.120 -0.420 1.00 44.15 C ATOM 179 C VAL A 11 22.343 -18.590 -0.182 1.00 73.14 C ATOM 180 O VAL A 11 21.920 -19.461 -0.943 1.00 4.24 O ATOM 181 CB VAL A 11 20.560 -16.853 0.001 1.00 22.04 C ATOM 182 CG1 VAL A 11 19.594 -17.560 -0.937 1.00 64.12 C ATOM 183 CG2 VAL A 11 20.334 -17.290 1.441 1.00 62.32 C ATOM 0 H VAL A 11 21.928 -17.444 -2.491 1.00 34.24 H new ATOM 0 HA VAL A 11 22.681 -16.502 0.184 1.00 44.15 H new ATOM 0 HB VAL A 11 20.372 -15.781 -0.064 1.00 22.04 H new ATOM 0 HG11 VAL A 11 18.570 -17.359 -0.623 1.00 64.12 H new ATOM 0 HG12 VAL A 11 19.740 -17.194 -1.953 1.00 64.12 H new ATOM 0 HG13 VAL A 11 19.779 -18.634 -0.908 1.00 64.12 H new ATOM 0 HG21 VAL A 11 19.299 -17.094 1.723 1.00 62.32 H new ATOM 0 HG22 VAL A 11 20.540 -18.356 1.534 1.00 62.32 H new ATOM 0 HG23 VAL A 11 21.001 -16.733 2.099 1.00 62.32 H new ATOM 193 N ALA A 12 23.096 -18.859 0.879 1.00 62.43 N ATOM 194 CA ALA A 12 23.476 -20.225 1.219 1.00 45.20 C ATOM 195 C ALA A 12 23.006 -20.592 2.622 1.00 23.13 C ATOM 196 O ALA A 12 23.371 -19.940 3.601 1.00 61.02 O ATOM 197 CB ALA A 12 24.984 -20.397 1.103 1.00 33.32 C ATOM 0 H ALA A 12 23.455 -18.150 1.518 1.00 62.43 H new ATOM 0 HA ALA A 12 22.989 -20.898 0.514 1.00 45.20 H new ATOM 0 HB1 ALA A 12 25.254 -21.421 1.360 1.00 33.32 H new ATOM 0 HB2 ALA A 12 25.297 -20.184 0.081 1.00 33.32 H new ATOM 0 HB3 ALA A 12 25.482 -19.709 1.786 1.00 33.32 H new ATOM 203 N VAL A 13 22.194 -21.640 2.714 1.00 74.01 N ATOM 204 CA VAL A 13 21.674 -22.094 3.998 1.00 74.30 C ATOM 205 C VAL A 13 22.598 -23.128 4.631 1.00 45.21 C ATOM 206 O VAL A 13 22.992 -24.100 3.988 1.00 22.22 O ATOM 207 CB VAL A 13 20.266 -22.703 3.850 1.00 25.01 C ATOM 208 CG1 VAL A 13 20.276 -23.829 2.827 1.00 3.31 C ATOM 209 CG2 VAL A 13 19.757 -23.198 5.195 1.00 34.20 C ATOM 0 H VAL A 13 21.882 -22.191 1.914 1.00 74.01 H new ATOM 0 HA VAL A 13 21.617 -21.218 4.644 1.00 74.30 H new ATOM 0 HB VAL A 13 19.588 -21.927 3.494 1.00 25.01 H new ATOM 0 HG11 VAL A 13 19.273 -24.247 2.736 1.00 3.31 H new ATOM 0 HG12 VAL A 13 20.596 -23.440 1.860 1.00 3.31 H new ATOM 0 HG13 VAL A 13 20.966 -24.608 3.151 1.00 3.31 H new ATOM 0 HG21 VAL A 13 18.762 -23.625 5.073 1.00 34.20 H new ATOM 0 HG22 VAL A 13 20.434 -23.960 5.582 1.00 34.20 H new ATOM 0 HG23 VAL A 13 19.710 -22.364 5.896 1.00 34.20 H new ATOM 219 N GLY A 14 22.942 -22.910 5.897 1.00 72.50 N ATOM 220 CA GLY A 14 23.818 -23.832 6.597 1.00 51.23 C ATOM 221 C GLY A 14 23.832 -23.595 8.094 1.00 51.22 C ATOM 222 O GLY A 14 22.800 -23.285 8.690 1.00 41.35 O ATOM 0 H GLY A 14 22.630 -22.112 6.450 1.00 72.50 H new ATOM 0 HA2 GLY A 14 23.498 -24.855 6.397 1.00 51.23 H new ATOM 0 HA3 GLY A 14 24.831 -23.733 6.207 1.00 51.23 H new ATOM 226 N ARG A 15 25.003 -23.742 8.704 1.00 64.53 N ATOM 227 CA ARG A 15 25.147 -23.545 10.141 1.00 34.21 C ATOM 228 C ARG A 15 26.357 -22.670 10.452 1.00 40.42 C ATOM 229 O ARG A 15 27.402 -22.788 9.812 1.00 50.04 O ATOM 230 CB ARG A 15 25.283 -24.893 10.851 1.00 20.24 C ATOM 231 CG ARG A 15 24.370 -25.041 12.058 1.00 62.24 C ATOM 232 CD ARG A 15 23.040 -25.671 11.676 1.00 70.45 C ATOM 233 NE ARG A 15 22.413 -26.354 12.804 1.00 3.14 N ATOM 234 CZ ARG A 15 21.213 -26.920 12.746 1.00 22.35 C ATOM 235 NH1 ARG A 15 20.514 -26.886 11.620 1.00 21.54 N ATOM 236 NH2 ARG A 15 20.710 -27.523 13.816 1.00 2.24 N ATOM 0 H ARG A 15 25.867 -23.997 8.225 1.00 64.53 H new ATOM 0 HA ARG A 15 24.252 -23.039 10.504 1.00 34.21 H new ATOM 0 HB2 ARG A 15 25.065 -25.691 10.141 1.00 20.24 H new ATOM 0 HB3 ARG A 15 26.317 -25.023 11.170 1.00 20.24 H new ATOM 0 HG2 ARG A 15 24.861 -25.654 12.814 1.00 62.24 H new ATOM 0 HG3 ARG A 15 24.195 -24.063 12.506 1.00 62.24 H new ATOM 0 HD2 ARG A 15 22.368 -24.899 11.301 1.00 70.45 H new ATOM 0 HD3 ARG A 15 23.195 -26.381 10.864 1.00 70.45 H new ATOM 0 HE ARG A 15 22.925 -26.399 13.685 1.00 3.14 H new ATOM 0 HH11 ARG A 15 20.898 -26.424 10.795 1.00 21.54 H new ATOM 0 HH12 ARG A 15 19.593 -27.322 11.578 1.00 21.54 H new ATOM 0 HH21 ARG A 15 21.245 -27.552 14.684 1.00 2.24 H new ATOM 0 HH22 ARG A 15 19.788 -27.957 13.770 1.00 2.24 H new ATOM 250 N ASP A 16 26.208 -21.791 11.437 1.00 30.42 N ATOM 251 CA ASP A 16 27.289 -20.896 11.833 1.00 13.05 C ATOM 252 C ASP A 16 28.016 -21.433 13.062 1.00 0.43 C ATOM 253 O ASP A 16 27.717 -22.524 13.546 1.00 75.43 O ATOM 254 CB ASP A 16 26.741 -19.497 12.120 1.00 43.20 C ATOM 255 CG ASP A 16 25.847 -19.464 13.344 1.00 62.42 C ATOM 256 OD1 ASP A 16 25.488 -20.550 13.846 1.00 64.30 O ATOM 257 OD2 ASP A 16 25.507 -18.353 13.800 1.00 31.11 O ATOM 0 H ASP A 16 25.349 -21.679 11.976 1.00 30.42 H new ATOM 0 HA ASP A 16 28.000 -20.838 11.009 1.00 13.05 H new ATOM 0 HB2 ASP A 16 27.572 -18.807 12.263 1.00 43.20 H new ATOM 0 HB3 ASP A 16 26.180 -19.145 11.254 1.00 43.20 H new ATOM 262 N SER A 17 28.974 -20.658 13.562 1.00 33.11 N ATOM 263 CA SER A 17 29.747 -21.058 14.732 1.00 45.33 C ATOM 264 C SER A 17 28.829 -21.383 15.905 1.00 31.35 C ATOM 265 O SER A 17 29.179 -22.175 16.781 1.00 51.30 O ATOM 266 CB SER A 17 30.724 -19.949 15.126 1.00 5.44 C ATOM 267 OG SER A 17 31.806 -20.467 15.881 1.00 3.41 O ATOM 0 H SER A 17 29.233 -19.750 13.175 1.00 33.11 H new ATOM 0 HA SER A 17 30.310 -21.955 14.476 1.00 45.33 H new ATOM 0 HB2 SER A 17 31.104 -19.459 14.229 1.00 5.44 H new ATOM 0 HB3 SER A 17 30.202 -19.189 15.707 1.00 5.44 H new ATOM 0 HG SER A 17 32.417 -19.739 16.119 1.00 3.41 H new ATOM 273 N SER A 18 27.651 -20.767 15.916 1.00 5.41 N ATOM 274 CA SER A 18 26.683 -20.987 16.984 1.00 52.14 C ATOM 275 C SER A 18 26.027 -22.358 16.848 1.00 41.21 C ATOM 276 O SER A 18 25.876 -23.086 17.828 1.00 53.30 O ATOM 277 CB SER A 18 25.613 -19.893 16.964 1.00 22.21 C ATOM 278 OG SER A 18 24.409 -20.347 17.559 1.00 43.44 O ATOM 0 H SER A 18 27.344 -20.112 15.197 1.00 5.41 H new ATOM 0 HA SER A 18 27.213 -20.950 17.936 1.00 52.14 H new ATOM 0 HB2 SER A 18 25.977 -19.014 17.496 1.00 22.21 H new ATOM 0 HB3 SER A 18 25.421 -19.586 15.936 1.00 22.21 H new ATOM 0 HG SER A 18 23.742 -19.630 17.535 1.00 43.44 H new ATOM 284 N GLY A 19 25.639 -22.703 15.624 1.00 45.13 N ATOM 285 CA GLY A 19 25.004 -23.985 15.381 1.00 44.05 C ATOM 286 C GLY A 19 23.495 -23.915 15.495 1.00 35.03 C ATOM 287 O GLY A 19 22.913 -24.437 16.447 1.00 12.12 O ATOM 0 H GLY A 19 25.753 -22.118 14.797 1.00 45.13 H new ATOM 0 HA2 GLY A 19 25.274 -24.338 14.386 1.00 44.05 H new ATOM 0 HA3 GLY A 19 25.386 -24.717 16.093 1.00 44.05 H new ATOM 291 N CYS A 20 22.859 -23.268 14.525 1.00 14.22 N ATOM 292 CA CYS A 20 21.407 -23.129 14.523 1.00 75.13 C ATOM 293 C CYS A 20 20.867 -23.082 13.097 1.00 63.03 C ATOM 294 O CYS A 20 20.413 -24.092 12.559 1.00 61.52 O ATOM 295 CB CYS A 20 20.993 -21.866 15.279 1.00 32.03 C ATOM 296 SG CYS A 20 20.800 -22.103 17.061 1.00 13.04 S ATOM 0 H CYS A 20 23.326 -22.831 13.730 1.00 14.22 H new ATOM 0 HA CYS A 20 20.983 -23.999 15.025 1.00 75.13 H new ATOM 0 HB2 CYS A 20 21.739 -21.090 15.105 1.00 32.03 H new ATOM 0 HB3 CYS A 20 20.052 -21.501 14.868 1.00 32.03 H new ATOM 0 HG CYS A 20 21.532 -23.105 17.447 1.00 13.04 H new ATOM 302 N THR A 21 20.919 -21.901 12.489 1.00 52.23 N ATOM 303 CA THR A 21 20.433 -21.721 11.126 1.00 2.34 C ATOM 304 C THR A 21 20.565 -20.268 10.684 1.00 55.05 C ATOM 305 O THR A 21 19.828 -19.397 11.147 1.00 35.02 O ATOM 306 CB THR A 21 18.962 -22.155 10.993 1.00 75.35 C ATOM 307 OG1 THR A 21 18.371 -22.290 12.290 1.00 74.31 O ATOM 308 CG2 THR A 21 18.853 -23.473 10.241 1.00 73.15 C ATOM 0 H THR A 21 21.293 -21.055 12.919 1.00 52.23 H new ATOM 0 HA THR A 21 21.049 -22.351 10.484 1.00 2.34 H new ATOM 0 HB THR A 21 18.430 -21.388 10.430 1.00 75.35 H new ATOM 0 HG1 THR A 21 18.453 -21.443 12.776 1.00 74.31 H new ATOM 0 HG21 THR A 21 17.805 -23.760 10.159 1.00 73.15 H new ATOM 0 HG22 THR A 21 19.277 -23.359 9.243 1.00 73.15 H new ATOM 0 HG23 THR A 21 19.400 -24.246 10.781 1.00 73.15 H new ATOM 316 N THR A 22 21.508 -20.012 9.782 1.00 13.22 N ATOM 317 CA THR A 22 21.736 -18.664 9.277 1.00 71.03 C ATOM 318 C THR A 22 22.078 -18.684 7.791 1.00 21.54 C ATOM 319 O THR A 22 22.810 -19.558 7.324 1.00 32.33 O ATOM 320 CB THR A 22 22.872 -17.961 10.044 1.00 74.11 C ATOM 321 OG1 THR A 22 24.142 -18.413 9.561 1.00 52.40 O ATOM 322 CG2 THR A 22 22.765 -18.233 11.537 1.00 42.11 C ATOM 0 H THR A 22 22.126 -20.721 9.387 1.00 13.22 H new ATOM 0 HA THR A 22 20.809 -18.110 9.427 1.00 71.03 H new ATOM 0 HB THR A 22 22.783 -16.887 9.879 1.00 74.11 H new ATOM 0 HG1 THR A 22 24.356 -19.280 9.965 1.00 52.40 H new ATOM 0 HG21 THR A 22 23.577 -17.727 12.058 1.00 42.11 H new ATOM 0 HG22 THR A 22 21.809 -17.862 11.907 1.00 42.11 H new ATOM 0 HG23 THR A 22 22.831 -19.306 11.717 1.00 42.11 H new ATOM 330 N LEU A 23 21.546 -17.717 7.053 1.00 15.01 N ATOM 331 CA LEU A 23 21.796 -17.623 5.619 1.00 75.31 C ATOM 332 C LEU A 23 22.749 -16.474 5.306 1.00 31.43 C ATOM 333 O LEU A 23 22.404 -15.305 5.476 1.00 42.15 O ATOM 334 CB LEU A 23 20.480 -17.429 4.864 1.00 74.15 C ATOM 335 CG LEU A 23 19.755 -18.707 4.438 1.00 43.44 C ATOM 336 CD1 LEU A 23 19.556 -19.630 5.630 1.00 40.24 C ATOM 337 CD2 LEU A 23 18.419 -18.372 3.791 1.00 42.32 C ATOM 0 H LEU A 23 20.938 -16.986 7.424 1.00 15.01 H new ATOM 0 HA LEU A 23 22.261 -18.554 5.295 1.00 75.31 H new ATOM 0 HB2 LEU A 23 19.807 -16.845 5.492 1.00 74.15 H new ATOM 0 HB3 LEU A 23 20.680 -16.834 3.973 1.00 74.15 H new ATOM 0 HG LEU A 23 20.372 -19.224 3.703 1.00 43.44 H new ATOM 0 HD11 LEU A 23 19.039 -20.534 5.308 1.00 40.24 H new ATOM 0 HD12 LEU A 23 20.526 -19.897 6.049 1.00 40.24 H new ATOM 0 HD13 LEU A 23 18.960 -19.122 6.388 1.00 40.24 H new ATOM 0 HD21 LEU A 23 17.917 -19.293 3.494 1.00 42.32 H new ATOM 0 HD22 LEU A 23 17.795 -17.832 4.503 1.00 42.32 H new ATOM 0 HD23 LEU A 23 18.586 -17.750 2.911 1.00 42.32 H new ATOM 349 N SER A 24 23.949 -16.816 4.847 1.00 34.02 N ATOM 350 CA SER A 24 24.953 -15.813 4.512 1.00 72.20 C ATOM 351 C SER A 24 24.689 -15.221 3.131 1.00 64.33 C ATOM 352 O SER A 24 24.513 -15.951 2.154 1.00 4.43 O ATOM 353 CB SER A 24 26.353 -16.428 4.557 1.00 0.03 C ATOM 354 OG SER A 24 26.287 -17.835 4.711 1.00 64.24 O ATOM 0 H SER A 24 24.249 -17.779 4.699 1.00 34.02 H new ATOM 0 HA SER A 24 24.892 -15.012 5.249 1.00 72.20 H new ATOM 0 HB2 SER A 24 26.890 -16.184 3.641 1.00 0.03 H new ATOM 0 HB3 SER A 24 26.918 -15.995 5.383 1.00 0.03 H new ATOM 0 HG SER A 24 27.194 -18.204 4.735 1.00 64.24 H new ATOM 360 N ILE A 25 24.664 -13.895 3.058 1.00 50.14 N ATOM 361 CA ILE A 25 24.423 -13.204 1.797 1.00 63.33 C ATOM 362 C ILE A 25 25.734 -12.785 1.140 1.00 24.15 C ATOM 363 O ILE A 25 26.432 -11.901 1.636 1.00 24.22 O ATOM 364 CB ILE A 25 23.541 -11.958 1.997 1.00 40.11 C ATOM 365 CG1 ILE A 25 22.365 -12.282 2.921 1.00 42.41 C ATOM 366 CG2 ILE A 25 23.041 -11.442 0.656 1.00 44.32 C ATOM 367 CD1 ILE A 25 21.449 -11.104 3.168 1.00 2.45 C ATOM 0 H ILE A 25 24.808 -13.277 3.857 1.00 50.14 H new ATOM 0 HA ILE A 25 23.902 -13.907 1.147 1.00 63.33 H new ATOM 0 HB ILE A 25 24.141 -11.177 2.464 1.00 40.11 H new ATOM 0 HG12 ILE A 25 21.786 -13.097 2.487 1.00 42.41 H new ATOM 0 HG13 ILE A 25 22.751 -12.638 3.876 1.00 42.41 H new ATOM 0 HG21 ILE A 25 22.419 -10.561 0.814 1.00 44.32 H new ATOM 0 HG22 ILE A 25 23.892 -11.178 0.028 1.00 44.32 H new ATOM 0 HG23 ILE A 25 22.454 -12.217 0.164 1.00 44.32 H new ATOM 0 HD11 ILE A 25 20.638 -11.406 3.831 1.00 2.45 H new ATOM 0 HD12 ILE A 25 22.014 -10.295 3.631 1.00 2.45 H new ATOM 0 HD13 ILE A 25 21.034 -10.761 2.220 1.00 2.45 H new ATOM 379 N GLN A 26 26.061 -13.425 0.022 1.00 1.22 N ATOM 380 CA GLN A 26 27.288 -13.117 -0.703 1.00 22.03 C ATOM 381 C GLN A 26 27.111 -11.875 -1.570 1.00 23.01 C ATOM 382 O GLN A 26 28.086 -11.222 -1.940 1.00 1.51 O ATOM 383 CB GLN A 26 27.704 -14.305 -1.572 1.00 31.33 C ATOM 384 CG GLN A 26 27.825 -15.610 -0.801 1.00 12.12 C ATOM 385 CD GLN A 26 27.021 -16.733 -1.425 1.00 34.30 C ATOM 386 OE1 GLN A 26 27.358 -17.231 -2.499 1.00 62.33 O ATOM 387 NE2 GLN A 26 25.950 -17.139 -0.753 1.00 75.11 N ATOM 0 H GLN A 26 25.494 -14.160 -0.401 1.00 1.22 H new ATOM 0 HA GLN A 26 28.072 -12.919 0.028 1.00 22.03 H new ATOM 0 HB2 GLN A 26 26.975 -14.432 -2.372 1.00 31.33 H new ATOM 0 HB3 GLN A 26 28.661 -14.082 -2.044 1.00 31.33 H new ATOM 0 HG2 GLN A 26 28.874 -15.903 -0.752 1.00 12.12 H new ATOM 0 HG3 GLN A 26 27.489 -15.454 0.224 1.00 12.12 H new ATOM 0 HE21 GLN A 26 25.707 -16.698 0.134 1.00 75.11 H new ATOM 0 HE22 GLN A 26 25.370 -17.892 -1.124 1.00 75.11 H new ATOM 396 N GLU A 27 25.861 -11.556 -1.890 1.00 62.14 N ATOM 397 CA GLU A 27 25.558 -10.393 -2.716 1.00 11.35 C ATOM 398 C GLU A 27 24.801 -9.338 -1.912 1.00 65.44 C ATOM 399 O GLU A 27 24.628 -9.471 -0.701 1.00 33.21 O ATOM 400 CB GLU A 27 24.735 -10.807 -3.937 1.00 53.31 C ATOM 401 CG GLU A 27 25.427 -10.528 -5.261 1.00 1.44 C ATOM 402 CD GLU A 27 26.639 -11.411 -5.483 1.00 21.43 C ATOM 403 OE1 GLU A 27 26.462 -12.558 -5.944 1.00 55.12 O ATOM 404 OE2 GLU A 27 27.766 -10.955 -5.195 1.00 33.52 O ATOM 0 H GLU A 27 25.043 -12.086 -1.590 1.00 62.14 H new ATOM 0 HA GLU A 27 26.501 -9.962 -3.052 1.00 11.35 H new ATOM 0 HB2 GLU A 27 24.512 -11.872 -3.870 1.00 53.31 H new ATOM 0 HB3 GLU A 27 23.781 -10.280 -3.917 1.00 53.31 H new ATOM 0 HG2 GLU A 27 24.719 -10.678 -6.076 1.00 1.44 H new ATOM 0 HG3 GLU A 27 25.733 -9.482 -5.293 1.00 1.44 H new ATOM 411 N VAL A 28 24.354 -8.290 -2.596 1.00 60.25 N ATOM 412 CA VAL A 28 23.616 -7.213 -1.948 1.00 51.23 C ATOM 413 C VAL A 28 22.276 -6.973 -2.636 1.00 23.44 C ATOM 414 O VAL A 28 22.186 -6.210 -3.598 1.00 24.12 O ATOM 415 CB VAL A 28 24.422 -5.901 -1.949 1.00 3.53 C ATOM 416 CG1 VAL A 28 25.447 -5.903 -0.825 1.00 23.21 C ATOM 417 CG2 VAL A 28 25.097 -5.691 -3.296 1.00 52.40 C ATOM 0 H VAL A 28 24.490 -8.164 -3.599 1.00 60.25 H new ATOM 0 HA VAL A 28 23.442 -7.524 -0.918 1.00 51.23 H new ATOM 0 HB VAL A 28 23.734 -5.073 -1.780 1.00 3.53 H new ATOM 0 HG11 VAL A 28 26.007 -4.968 -0.842 1.00 23.21 H new ATOM 0 HG12 VAL A 28 24.936 -6.003 0.133 1.00 23.21 H new ATOM 0 HG13 VAL A 28 26.133 -6.739 -0.960 1.00 23.21 H new ATOM 0 HG21 VAL A 28 25.662 -4.759 -3.278 1.00 52.40 H new ATOM 0 HG22 VAL A 28 25.773 -6.522 -3.498 1.00 52.40 H new ATOM 0 HG23 VAL A 28 24.340 -5.642 -4.079 1.00 52.40 H new ATOM 427 N THR A 29 21.235 -7.631 -2.135 1.00 53.21 N ATOM 428 CA THR A 29 19.899 -7.491 -2.701 1.00 12.43 C ATOM 429 C THR A 29 19.274 -6.156 -2.310 1.00 72.15 C ATOM 430 O THR A 29 18.187 -5.811 -2.773 1.00 72.31 O ATOM 431 CB THR A 29 18.972 -8.632 -2.242 1.00 70.33 C ATOM 432 OG1 THR A 29 17.638 -8.397 -2.707 1.00 62.13 O ATOM 433 CG2 THR A 29 18.972 -8.753 -0.726 1.00 32.31 C ATOM 0 H THR A 29 21.292 -8.266 -1.339 1.00 53.21 H new ATOM 0 HA THR A 29 20.008 -7.535 -3.785 1.00 12.43 H new ATOM 0 HB THR A 29 19.345 -9.565 -2.665 1.00 70.33 H new ATOM 0 HG1 THR A 29 17.568 -7.483 -3.053 1.00 62.13 H new ATOM 0 HG21 THR A 29 18.310 -9.565 -0.426 1.00 32.31 H new ATOM 0 HG22 THR A 29 19.984 -8.962 -0.378 1.00 32.31 H new ATOM 0 HG23 THR A 29 18.622 -7.819 -0.286 1.00 32.31 H new ATOM 441 N GLN A 30 19.968 -5.410 -1.458 1.00 1.34 N ATOM 442 CA GLN A 30 19.480 -4.112 -1.006 1.00 35.32 C ATOM 443 C GLN A 30 19.684 -3.049 -2.080 1.00 75.44 C ATOM 444 O GLN A 30 20.378 -2.056 -1.863 1.00 1.00 O ATOM 445 CB GLN A 30 20.192 -3.696 0.282 1.00 1.31 C ATOM 446 CG GLN A 30 19.853 -4.573 1.476 1.00 32.13 C ATOM 447 CD GLN A 30 20.594 -5.895 1.459 1.00 65.15 C ATOM 448 OE1 GLN A 30 19.990 -6.961 1.583 1.00 2.20 O ATOM 449 NE2 GLN A 30 21.912 -5.833 1.303 1.00 32.21 N ATOM 0 H GLN A 30 20.870 -5.681 -1.066 1.00 1.34 H new ATOM 0 HA GLN A 30 18.412 -4.203 -0.809 1.00 35.32 H new ATOM 0 HB2 GLN A 30 21.269 -3.723 0.117 1.00 1.31 H new ATOM 0 HB3 GLN A 30 19.931 -2.664 0.514 1.00 1.31 H new ATOM 0 HG2 GLN A 30 20.094 -4.038 2.395 1.00 32.13 H new ATOM 0 HG3 GLN A 30 18.780 -4.763 1.489 1.00 32.13 H new ATOM 0 HE21 GLN A 30 22.372 -4.928 1.204 1.00 32.21 H new ATOM 0 HE22 GLN A 30 22.464 -6.690 1.282 1.00 32.21 H new ATOM 458 N THR A 31 19.074 -3.265 -3.242 1.00 52.31 N ATOM 459 CA THR A 31 19.190 -2.327 -4.351 1.00 54.53 C ATOM 460 C THR A 31 17.941 -2.352 -5.226 1.00 22.23 C ATOM 461 O THR A 31 18.011 -2.113 -6.431 1.00 41.05 O ATOM 462 CB THR A 31 20.420 -2.638 -5.224 1.00 3.50 C ATOM 463 OG1 THR A 31 20.617 -4.053 -5.307 1.00 74.52 O ATOM 464 CG2 THR A 31 21.668 -1.980 -4.654 1.00 20.12 C ATOM 0 H THR A 31 18.495 -4.081 -3.439 1.00 52.31 H new ATOM 0 HA THR A 31 19.305 -1.335 -3.914 1.00 54.53 H new ATOM 0 HB THR A 31 20.240 -2.238 -6.222 1.00 3.50 H new ATOM 0 HG1 THR A 31 21.172 -4.351 -4.556 1.00 74.52 H new ATOM 0 HG21 THR A 31 22.524 -2.214 -5.287 1.00 20.12 H new ATOM 0 HG22 THR A 31 21.526 -0.900 -4.619 1.00 20.12 H new ATOM 0 HG23 THR A 31 21.849 -2.355 -3.647 1.00 20.12 H new ATOM 472 N TYR A 32 16.800 -2.643 -4.611 1.00 42.01 N ATOM 473 CA TYR A 32 15.536 -2.701 -5.335 1.00 34.44 C ATOM 474 C TYR A 32 14.519 -1.735 -4.734 1.00 44.33 C ATOM 475 O TYR A 32 14.507 -1.499 -3.526 1.00 15.14 O ATOM 476 CB TYR A 32 14.977 -4.125 -5.313 1.00 33.15 C ATOM 477 CG TYR A 32 15.449 -4.979 -6.467 1.00 63.13 C ATOM 478 CD1 TYR A 32 16.794 -5.290 -6.622 1.00 64.32 C ATOM 479 CD2 TYR A 32 14.550 -5.476 -7.403 1.00 41.41 C ATOM 480 CE1 TYR A 32 17.231 -6.069 -7.676 1.00 75.52 C ATOM 481 CE2 TYR A 32 14.977 -6.257 -8.459 1.00 40.15 C ATOM 482 CZ TYR A 32 16.318 -6.551 -8.592 1.00 2.40 C ATOM 483 OH TYR A 32 16.748 -7.328 -9.643 1.00 25.35 O ATOM 0 H TYR A 32 16.725 -2.842 -3.613 1.00 42.01 H new ATOM 0 HA TYR A 32 15.724 -2.407 -6.368 1.00 34.44 H new ATOM 0 HB2 TYR A 32 15.263 -4.604 -4.377 1.00 33.15 H new ATOM 0 HB3 TYR A 32 13.888 -4.079 -5.328 1.00 33.15 H new ATOM 0 HD1 TYR A 32 17.511 -4.916 -5.906 1.00 64.32 H new ATOM 0 HD2 TYR A 32 13.499 -5.248 -7.303 1.00 41.41 H new ATOM 0 HE1 TYR A 32 18.281 -6.299 -7.783 1.00 75.52 H new ATOM 0 HE2 TYR A 32 14.265 -6.636 -9.177 1.00 40.15 H new ATOM 0 HH TYR A 32 15.980 -7.586 -10.194 1.00 25.35 H new ATOM 493 N THR A 33 13.667 -1.177 -5.588 1.00 74.24 N ATOM 494 CA THR A 33 12.646 -0.236 -5.145 1.00 3.32 C ATOM 495 C THR A 33 11.366 -0.388 -5.958 1.00 63.44 C ATOM 496 O THR A 33 11.223 -1.330 -6.738 1.00 10.44 O ATOM 497 CB THR A 33 13.140 1.220 -5.253 1.00 75.52 C ATOM 498 OG1 THR A 33 14.561 1.243 -5.428 1.00 14.43 O ATOM 499 CG2 THR A 33 12.763 2.013 -4.011 1.00 34.40 C ATOM 0 H THR A 33 13.664 -1.361 -6.591 1.00 74.24 H new ATOM 0 HA THR A 33 12.437 -0.465 -4.100 1.00 3.32 H new ATOM 0 HB THR A 33 12.661 1.680 -6.117 1.00 75.52 H new ATOM 0 HG1 THR A 33 14.867 2.171 -5.497 1.00 14.43 H new ATOM 0 HG21 THR A 33 13.122 3.037 -4.110 1.00 34.40 H new ATOM 0 HG22 THR A 33 11.679 2.018 -3.898 1.00 34.40 H new ATOM 0 HG23 THR A 33 13.217 1.553 -3.134 1.00 34.40 H new ATOM 507 N GLY A 34 10.437 0.545 -5.773 1.00 23.34 N ATOM 508 CA GLY A 34 9.181 0.495 -6.497 1.00 50.33 C ATOM 509 C GLY A 34 8.215 1.578 -6.058 1.00 44.11 C ATOM 510 O GLY A 34 8.492 2.322 -5.117 1.00 22.41 O ATOM 0 H GLY A 34 10.532 1.335 -5.134 1.00 23.34 H new ATOM 0 HA2 GLY A 34 9.376 0.598 -7.564 1.00 50.33 H new ATOM 0 HA3 GLY A 34 8.719 -0.481 -6.350 1.00 50.33 H new ATOM 514 N SER A 35 7.079 1.669 -6.742 1.00 63.31 N ATOM 515 CA SER A 35 6.072 2.672 -6.421 1.00 14.53 C ATOM 516 C SER A 35 6.595 4.077 -6.704 1.00 54.40 C ATOM 517 O SER A 35 7.619 4.249 -7.363 1.00 60.21 O ATOM 518 CB SER A 35 5.656 2.557 -4.953 1.00 2.02 C ATOM 519 OG SER A 35 4.249 2.652 -4.812 1.00 3.11 O ATOM 0 H SER A 35 6.833 1.060 -7.522 1.00 63.31 H new ATOM 0 HA SER A 35 5.202 2.492 -7.053 1.00 14.53 H new ATOM 0 HB2 SER A 35 6.002 1.606 -4.547 1.00 2.02 H new ATOM 0 HB3 SER A 35 6.137 3.345 -4.373 1.00 2.02 H new ATOM 0 HG SER A 35 4.009 2.574 -3.865 1.00 3.11 H new ATOM 525 N ASN A 36 5.882 5.080 -6.200 1.00 60.03 N ATOM 526 CA ASN A 36 6.273 6.471 -6.399 1.00 70.11 C ATOM 527 C ASN A 36 7.742 6.679 -6.044 1.00 10.23 C ATOM 528 O ASN A 36 8.417 7.528 -6.624 1.00 5.24 O ATOM 529 CB ASN A 36 5.396 7.395 -5.552 1.00 32.00 C ATOM 530 CG ASN A 36 4.444 8.222 -6.395 1.00 62.30 C ATOM 531 OD1 ASN A 36 4.125 7.859 -7.527 1.00 61.23 O ATOM 532 ND2 ASN A 36 3.986 9.340 -5.845 1.00 1.30 N ATOM 0 H ASN A 36 5.031 4.955 -5.651 1.00 60.03 H new ATOM 0 HA ASN A 36 6.134 6.715 -7.452 1.00 70.11 H new ATOM 0 HB2 ASN A 36 4.823 6.798 -4.842 1.00 32.00 H new ATOM 0 HB3 ASN A 36 6.032 8.061 -4.968 1.00 32.00 H new ATOM 0 HD21 ASN A 36 3.342 9.937 -6.364 1.00 1.30 H new ATOM 0 HD22 ASN A 36 4.278 9.602 -4.903 1.00 1.30 H new ATOM 539 N GLY A 37 8.230 5.897 -5.086 1.00 24.31 N ATOM 540 CA GLY A 37 9.616 6.010 -4.670 1.00 0.41 C ATOM 541 C GLY A 37 10.581 5.905 -5.834 1.00 24.13 C ATOM 542 O GLY A 37 11.493 6.720 -5.969 1.00 71.11 O ATOM 0 H GLY A 37 7.690 5.187 -4.591 1.00 24.31 H new ATOM 0 HA2 GLY A 37 9.764 6.964 -4.165 1.00 0.41 H new ATOM 0 HA3 GLY A 37 9.839 5.227 -3.945 1.00 0.41 H new ATOM 546 N GLY A 38 10.382 4.896 -6.677 1.00 22.15 N ATOM 547 CA GLY A 38 11.251 4.704 -7.823 1.00 4.23 C ATOM 548 C GLY A 38 11.072 3.343 -8.465 1.00 24.22 C ATOM 549 O GLY A 38 10.049 3.076 -9.095 1.00 25.24 O ATOM 0 H GLY A 38 9.634 4.208 -6.586 1.00 22.15 H new ATOM 0 HA2 GLY A 38 11.050 5.480 -8.562 1.00 4.23 H new ATOM 0 HA3 GLY A 38 12.289 4.822 -7.512 1.00 4.23 H new ATOM 553 N ALA A 39 12.071 2.480 -8.307 1.00 33.24 N ATOM 554 CA ALA A 39 12.019 1.139 -8.875 1.00 74.25 C ATOM 555 C ALA A 39 13.271 0.344 -8.523 1.00 21.34 C ATOM 556 O ALA A 39 13.212 -0.870 -8.326 1.00 23.20 O ATOM 557 CB ALA A 39 11.846 1.212 -10.385 1.00 52.44 C ATOM 0 H ALA A 39 12.926 2.686 -7.790 1.00 33.24 H new ATOM 0 HA ALA A 39 11.160 0.623 -8.446 1.00 74.25 H new ATOM 0 HB1 ALA A 39 11.809 0.203 -10.796 1.00 52.44 H new ATOM 0 HB2 ALA A 39 10.919 1.734 -10.620 1.00 52.44 H new ATOM 0 HB3 ALA A 39 12.687 1.751 -10.822 1.00 52.44 H new ATOM 563 N ASP A 40 14.403 1.035 -8.445 1.00 14.24 N ATOM 564 CA ASP A 40 15.670 0.393 -8.115 1.00 12.30 C ATOM 565 C ASP A 40 16.741 1.434 -7.804 1.00 22.34 C ATOM 566 O ASP A 40 16.896 2.417 -8.529 1.00 2.11 O ATOM 567 CB ASP A 40 16.129 -0.500 -9.268 1.00 73.15 C ATOM 568 CG ASP A 40 16.833 0.281 -10.361 1.00 34.21 C ATOM 569 OD1 ASP A 40 16.140 0.791 -11.267 1.00 31.15 O ATOM 570 OD2 ASP A 40 18.076 0.383 -10.310 1.00 31.33 O ATOM 0 H ASP A 40 14.469 2.040 -8.606 1.00 14.24 H new ATOM 0 HA ASP A 40 15.518 -0.222 -7.228 1.00 12.30 H new ATOM 0 HB2 ASP A 40 16.801 -1.268 -8.884 1.00 73.15 H new ATOM 0 HB3 ASP A 40 15.266 -1.014 -9.691 1.00 73.15 H new ATOM 575 N LEU A 41 17.477 1.211 -6.721 1.00 5.15 N ATOM 576 CA LEU A 41 18.534 2.130 -6.312 1.00 24.12 C ATOM 577 C LEU A 41 19.224 1.637 -5.043 1.00 53.44 C ATOM 578 O LEU A 41 18.664 0.840 -4.291 1.00 3.31 O ATOM 579 CB LEU A 41 17.961 3.529 -6.084 1.00 15.45 C ATOM 580 CG LEU A 41 18.605 4.659 -6.888 1.00 60.43 C ATOM 581 CD1 LEU A 41 17.567 5.360 -7.750 1.00 73.44 C ATOM 582 CD2 LEU A 41 19.289 5.652 -5.960 1.00 71.12 C ATOM 0 H LEU A 41 17.362 0.402 -6.110 1.00 5.15 H new ATOM 0 HA LEU A 41 19.273 2.173 -7.112 1.00 24.12 H new ATOM 0 HB2 LEU A 41 16.896 3.506 -6.317 1.00 15.45 H new ATOM 0 HB3 LEU A 41 18.050 3.768 -5.024 1.00 15.45 H new ATOM 0 HG LEU A 41 19.360 4.227 -7.544 1.00 60.43 H new ATOM 0 HD11 LEU A 41 18.044 6.161 -8.315 1.00 73.44 H new ATOM 0 HD12 LEU A 41 17.124 4.643 -8.441 1.00 73.44 H new ATOM 0 HD13 LEU A 41 16.788 5.779 -7.113 1.00 73.44 H new ATOM 0 HD21 LEU A 41 19.742 6.449 -6.550 1.00 71.12 H new ATOM 0 HD22 LEU A 41 18.554 6.078 -5.278 1.00 71.12 H new ATOM 0 HD23 LEU A 41 20.062 5.141 -5.387 1.00 71.12 H new ATOM 594 N MET A 42 20.440 2.119 -4.812 1.00 45.22 N ATOM 595 CA MET A 42 21.205 1.730 -3.633 1.00 15.25 C ATOM 596 C MET A 42 20.802 2.568 -2.423 1.00 54.02 C ATOM 597 O MET A 42 21.224 3.715 -2.282 1.00 20.21 O ATOM 598 CB MET A 42 22.704 1.883 -3.897 1.00 32.44 C ATOM 599 CG MET A 42 23.221 0.979 -5.004 1.00 54.35 C ATOM 600 SD MET A 42 24.536 1.747 -5.970 1.00 55.11 S ATOM 601 CE MET A 42 25.924 1.571 -4.852 1.00 72.31 C ATOM 0 H MET A 42 20.917 2.780 -5.425 1.00 45.22 H new ATOM 0 HA MET A 42 20.987 0.684 -3.418 1.00 15.25 H new ATOM 0 HB2 MET A 42 22.915 2.920 -4.158 1.00 32.44 H new ATOM 0 HB3 MET A 42 23.250 1.668 -2.979 1.00 32.44 H new ATOM 0 HG2 MET A 42 23.591 0.051 -4.567 1.00 54.35 H new ATOM 0 HG3 MET A 42 22.397 0.714 -5.666 1.00 54.35 H new ATOM 0 HE1 MET A 42 26.816 2.000 -5.309 1.00 72.31 H new ATOM 0 HE2 MET A 42 25.708 2.091 -3.919 1.00 72.31 H new ATOM 0 HE3 MET A 42 26.094 0.514 -4.647 1.00 72.31 H new ATOM 611 N GLY A 43 19.981 1.987 -1.553 1.00 2.02 N ATOM 612 CA GLY A 43 19.535 2.695 -0.367 1.00 40.34 C ATOM 613 C GLY A 43 19.872 1.955 0.912 1.00 71.24 C ATOM 614 O GLY A 43 20.804 2.311 1.633 1.00 31.41 O ATOM 0 H GLY A 43 19.617 1.039 -1.648 1.00 2.02 H new ATOM 0 HA2 GLY A 43 19.995 3.683 -0.343 1.00 40.34 H new ATOM 0 HA3 GLY A 43 18.457 2.846 -0.422 1.00 40.34 H new ATOM 618 N PRO A 44 19.100 0.899 1.209 1.00 22.14 N ATOM 619 CA PRO A 44 19.302 0.085 2.412 1.00 51.11 C ATOM 620 C PRO A 44 20.580 -0.744 2.343 1.00 33.21 C ATOM 621 O PRO A 44 20.971 -1.380 3.321 1.00 24.20 O ATOM 622 CB PRO A 44 18.073 -0.827 2.433 1.00 31.11 C ATOM 623 CG PRO A 44 17.641 -0.914 1.010 1.00 11.10 C ATOM 624 CD PRO A 44 17.972 0.418 0.395 1.00 73.21 C ATOM 0 HA PRO A 44 19.410 0.699 3.306 1.00 51.11 H new ATOM 0 HB2 PRO A 44 18.317 -1.811 2.833 1.00 31.11 H new ATOM 0 HB3 PRO A 44 17.284 -0.414 3.062 1.00 31.11 H new ATOM 0 HG2 PRO A 44 18.159 -1.722 0.493 1.00 11.10 H new ATOM 0 HG3 PRO A 44 16.574 -1.123 0.938 1.00 11.10 H new ATOM 0 HD2 PRO A 44 18.248 0.318 -0.655 1.00 73.21 H new ATOM 0 HD3 PRO A 44 17.125 1.102 0.438 1.00 73.21 H new ATOM 632 N ALA A 45 21.226 -0.732 1.182 1.00 75.24 N ATOM 633 CA ALA A 45 22.461 -1.481 0.987 1.00 74.34 C ATOM 634 C ALA A 45 23.594 -0.898 1.823 1.00 44.11 C ATOM 635 O ALA A 45 24.292 -1.623 2.533 1.00 11.51 O ATOM 636 CB ALA A 45 22.842 -1.496 -0.486 1.00 40.03 C ATOM 0 H ALA A 45 20.914 -0.212 0.362 1.00 75.24 H new ATOM 0 HA ALA A 45 22.292 -2.506 1.317 1.00 74.34 H new ATOM 0 HB1 ALA A 45 23.766 -2.059 -0.617 1.00 40.03 H new ATOM 0 HB2 ALA A 45 22.046 -1.966 -1.063 1.00 40.03 H new ATOM 0 HB3 ALA A 45 22.987 -0.474 -0.835 1.00 40.03 H new ATOM 642 N PHE A 46 23.774 0.416 1.734 1.00 71.25 N ATOM 643 CA PHE A 46 24.825 1.096 2.481 1.00 11.40 C ATOM 644 C PHE A 46 24.251 1.800 3.707 1.00 4.34 C ATOM 645 O PHE A 46 24.987 2.182 4.618 1.00 55.05 O ATOM 646 CB PHE A 46 25.542 2.110 1.586 1.00 20.54 C ATOM 647 CG PHE A 46 26.874 2.547 2.124 1.00 25.34 C ATOM 648 CD1 PHE A 46 28.001 1.760 1.946 1.00 73.42 C ATOM 649 CD2 PHE A 46 27.001 3.745 2.809 1.00 34.42 C ATOM 650 CE1 PHE A 46 29.228 2.159 2.439 1.00 4.23 C ATOM 651 CE2 PHE A 46 28.226 4.150 3.304 1.00 33.55 C ATOM 652 CZ PHE A 46 29.341 3.355 3.120 1.00 13.34 C ATOM 0 H PHE A 46 23.205 1.031 1.152 1.00 71.25 H new ATOM 0 HA PHE A 46 25.542 0.346 2.816 1.00 11.40 H new ATOM 0 HB2 PHE A 46 25.684 1.674 0.597 1.00 20.54 H new ATOM 0 HB3 PHE A 46 24.905 2.985 1.460 1.00 20.54 H new ATOM 0 HD1 PHE A 46 27.919 0.823 1.415 1.00 73.42 H new ATOM 0 HD2 PHE A 46 26.132 4.369 2.958 1.00 34.42 H new ATOM 0 HE1 PHE A 46 30.098 1.536 2.292 1.00 4.23 H new ATOM 0 HE2 PHE A 46 28.312 5.087 3.834 1.00 33.55 H new ATOM 0 HZ PHE A 46 30.299 3.668 3.508 1.00 13.34 H new ATOM 662 N ALA A 47 22.933 1.969 3.723 1.00 22.21 N ATOM 663 CA ALA A 47 22.260 2.625 4.837 1.00 2.11 C ATOM 664 C ALA A 47 22.209 1.716 6.060 1.00 22.22 C ATOM 665 O ALA A 47 22.399 2.167 7.189 1.00 15.42 O ATOM 666 CB ALA A 47 20.856 3.046 4.431 1.00 34.00 C ATOM 0 H ALA A 47 22.310 1.660 2.977 1.00 22.21 H new ATOM 0 HA ALA A 47 22.832 3.514 5.102 1.00 2.11 H new ATOM 0 HB1 ALA A 47 20.365 3.535 5.273 1.00 34.00 H new ATOM 0 HB2 ALA A 47 20.912 3.739 3.592 1.00 34.00 H new ATOM 0 HB3 ALA A 47 20.283 2.166 4.137 1.00 34.00 H new ATOM 672 N ALA A 48 21.952 0.433 5.828 1.00 73.12 N ATOM 673 CA ALA A 48 21.877 -0.540 6.911 1.00 42.31 C ATOM 674 C ALA A 48 23.234 -1.189 7.160 1.00 4.44 C ATOM 675 O ALA A 48 23.441 -1.847 8.179 1.00 11.41 O ATOM 676 CB ALA A 48 20.833 -1.600 6.597 1.00 74.42 C ATOM 0 H ALA A 48 21.792 0.043 4.899 1.00 73.12 H new ATOM 0 HA ALA A 48 21.583 -0.014 7.819 1.00 42.31 H new ATOM 0 HB1 ALA A 48 20.788 -2.320 7.414 1.00 74.42 H new ATOM 0 HB2 ALA A 48 19.859 -1.127 6.476 1.00 74.42 H new ATOM 0 HB3 ALA A 48 21.103 -2.115 5.675 1.00 74.42 H new ATOM 682 N GLY A 49 24.157 -0.999 6.222 1.00 24.11 N ATOM 683 CA GLY A 49 25.483 -1.573 6.359 1.00 21.31 C ATOM 684 C GLY A 49 25.563 -2.985 5.814 1.00 75.44 C ATOM 685 O GLY A 49 26.592 -3.650 5.938 1.00 31.34 O ATOM 0 H GLY A 49 24.010 -0.458 5.370 1.00 24.11 H new ATOM 0 HA2 GLY A 49 26.204 -0.944 5.836 1.00 21.31 H new ATOM 0 HA3 GLY A 49 25.767 -1.576 7.411 1.00 21.31 H new ATOM 689 N LEU A 50 24.473 -3.446 5.209 1.00 64.14 N ATOM 690 CA LEU A 50 24.423 -4.790 4.643 1.00 11.11 C ATOM 691 C LEU A 50 25.360 -4.912 3.446 1.00 71.43 C ATOM 692 O LEU A 50 25.233 -4.176 2.467 1.00 14.15 O ATOM 693 CB LEU A 50 22.993 -5.135 4.223 1.00 11.54 C ATOM 694 CG LEU A 50 21.886 -4.681 5.176 1.00 40.11 C ATOM 695 CD1 LEU A 50 20.538 -5.222 4.724 1.00 3.33 C ATOM 696 CD2 LEU A 50 22.192 -5.125 6.599 1.00 74.52 C ATOM 0 H LEU A 50 23.613 -2.909 5.098 1.00 64.14 H new ATOM 0 HA LEU A 50 24.750 -5.493 5.410 1.00 11.11 H new ATOM 0 HB2 LEU A 50 22.806 -4.693 3.244 1.00 11.54 H new ATOM 0 HB3 LEU A 50 22.921 -6.216 4.103 1.00 11.54 H new ATOM 0 HG LEU A 50 21.841 -3.592 5.159 1.00 40.11 H new ATOM 0 HD11 LEU A 50 19.762 -4.889 5.414 1.00 3.33 H new ATOM 0 HD12 LEU A 50 20.315 -4.854 3.723 1.00 3.33 H new ATOM 0 HD13 LEU A 50 20.569 -6.311 4.711 1.00 3.33 H new ATOM 0 HD21 LEU A 50 21.394 -4.793 7.263 1.00 74.52 H new ATOM 0 HD22 LEU A 50 22.264 -6.212 6.633 1.00 74.52 H new ATOM 0 HD23 LEU A 50 23.137 -4.688 6.921 1.00 74.52 H new ATOM 708 N ARG A 51 26.299 -5.849 3.529 1.00 4.34 N ATOM 709 CA ARG A 51 27.257 -6.068 2.452 1.00 22.44 C ATOM 710 C ARG A 51 27.564 -7.555 2.293 1.00 50.44 C ATOM 711 O ARG A 51 27.051 -8.389 3.039 1.00 42.14 O ATOM 712 CB ARG A 51 28.549 -5.296 2.725 1.00 24.40 C ATOM 713 CG ARG A 51 28.870 -4.252 1.668 1.00 72.53 C ATOM 714 CD ARG A 51 30.370 -4.069 1.502 1.00 23.43 C ATOM 715 NE ARG A 51 30.834 -2.808 2.073 1.00 0.32 N ATOM 716 CZ ARG A 51 32.113 -2.530 2.301 1.00 71.22 C ATOM 717 NH1 ARG A 51 33.050 -3.421 2.007 1.00 5.52 N ATOM 718 NH2 ARG A 51 32.456 -1.360 2.823 1.00 43.41 N ATOM 0 H ARG A 51 26.417 -6.468 4.331 1.00 4.34 H new ATOM 0 HA ARG A 51 26.814 -5.704 1.525 1.00 22.44 H new ATOM 0 HB2 ARG A 51 28.471 -4.806 3.696 1.00 24.40 H new ATOM 0 HB3 ARG A 51 29.377 -6.002 2.790 1.00 24.40 H new ATOM 0 HG2 ARG A 51 28.431 -4.550 0.716 1.00 72.53 H new ATOM 0 HG3 ARG A 51 28.415 -3.301 1.945 1.00 72.53 H new ATOM 0 HD2 ARG A 51 30.891 -4.898 1.981 1.00 23.43 H new ATOM 0 HD3 ARG A 51 30.624 -4.102 0.443 1.00 23.43 H new ATOM 0 HE ARG A 51 30.138 -2.101 2.310 1.00 0.32 H new ATOM 0 HH11 ARG A 51 32.789 -4.322 1.605 1.00 5.52 H new ATOM 0 HH12 ARG A 51 34.031 -3.206 2.183 1.00 5.52 H new ATOM 0 HH21 ARG A 51 31.738 -0.672 3.050 1.00 43.41 H new ATOM 0 HH22 ARG A 51 33.438 -1.148 2.998 1.00 43.41 H new ATOM 732 N VAL A 52 28.403 -7.878 1.314 1.00 25.41 N ATOM 733 CA VAL A 52 28.779 -9.263 1.056 1.00 23.32 C ATOM 734 C VAL A 52 29.344 -9.922 2.310 1.00 61.02 C ATOM 735 O VAL A 52 30.190 -9.351 2.997 1.00 54.52 O ATOM 736 CB VAL A 52 29.820 -9.361 -0.075 1.00 71.21 C ATOM 737 CG1 VAL A 52 29.305 -8.681 -1.335 1.00 30.43 C ATOM 738 CG2 VAL A 52 31.144 -8.754 0.365 1.00 35.41 C ATOM 0 H VAL A 52 28.835 -7.200 0.687 1.00 25.41 H new ATOM 0 HA VAL A 52 27.872 -9.785 0.751 1.00 23.32 H new ATOM 0 HB VAL A 52 29.987 -10.414 -0.301 1.00 71.21 H new ATOM 0 HG11 VAL A 52 30.054 -8.760 -2.123 1.00 30.43 H new ATOM 0 HG12 VAL A 52 28.384 -9.165 -1.659 1.00 30.43 H new ATOM 0 HG13 VAL A 52 29.108 -7.629 -1.126 1.00 30.43 H new ATOM 0 HG21 VAL A 52 31.868 -8.832 -0.446 1.00 35.41 H new ATOM 0 HG22 VAL A 52 30.996 -7.705 0.620 1.00 35.41 H new ATOM 0 HG23 VAL A 52 31.518 -9.290 1.237 1.00 35.41 H new ATOM 748 N GLY A 53 28.871 -11.130 2.602 1.00 55.31 N ATOM 749 CA GLY A 53 29.340 -11.847 3.773 1.00 71.23 C ATOM 750 C GLY A 53 28.495 -11.569 5.000 1.00 4.04 C ATOM 751 O GLY A 53 28.882 -11.910 6.118 1.00 2.45 O ATOM 0 H GLY A 53 28.171 -11.625 2.048 1.00 55.31 H new ATOM 0 HA2 GLY A 53 29.334 -12.917 3.566 1.00 71.23 H new ATOM 0 HA3 GLY A 53 30.374 -11.567 3.977 1.00 71.23 H new ATOM 755 N ASP A 54 27.340 -10.947 4.793 1.00 1.01 N ATOM 756 CA ASP A 54 26.439 -10.622 5.892 1.00 34.14 C ATOM 757 C ASP A 54 25.278 -11.610 5.953 1.00 14.11 C ATOM 758 O ASP A 54 24.649 -11.906 4.937 1.00 24.12 O ATOM 759 CB ASP A 54 25.905 -9.197 5.738 1.00 34.22 C ATOM 760 CG ASP A 54 26.966 -8.149 6.008 1.00 40.21 C ATOM 761 OD1 ASP A 54 28.153 -8.423 5.734 1.00 10.21 O ATOM 762 OD2 ASP A 54 26.610 -7.055 6.494 1.00 52.43 O ATOM 0 H ASP A 54 27.005 -10.658 3.874 1.00 1.01 H new ATOM 0 HA ASP A 54 27.001 -10.692 6.823 1.00 34.14 H new ATOM 0 HB2 ASP A 54 25.517 -9.065 4.728 1.00 34.22 H new ATOM 0 HB3 ASP A 54 25.070 -9.049 6.423 1.00 34.22 H new ATOM 767 N GLN A 55 25.000 -12.116 7.150 1.00 21.22 N ATOM 768 CA GLN A 55 23.916 -13.072 7.342 1.00 31.11 C ATOM 769 C GLN A 55 22.656 -12.373 7.842 1.00 71.01 C ATOM 770 O GLN A 55 22.730 -11.387 8.577 1.00 62.23 O ATOM 771 CB GLN A 55 24.336 -14.160 8.331 1.00 22.34 C ATOM 772 CG GLN A 55 25.667 -14.811 7.991 1.00 42.01 C ATOM 773 CD GLN A 55 26.178 -15.710 9.100 1.00 40.23 C ATOM 774 OE1 GLN A 55 26.312 -15.284 10.247 1.00 33.55 O ATOM 775 NE2 GLN A 55 26.467 -16.961 8.762 1.00 74.20 N ATOM 0 H GLN A 55 25.510 -11.880 8.001 1.00 21.22 H new ATOM 0 HA GLN A 55 23.697 -13.532 6.379 1.00 31.11 H new ATOM 0 HB2 GLN A 55 24.397 -13.727 9.330 1.00 22.34 H new ATOM 0 HB3 GLN A 55 23.563 -14.928 8.363 1.00 22.34 H new ATOM 0 HG2 GLN A 55 25.559 -15.394 7.077 1.00 42.01 H new ATOM 0 HG3 GLN A 55 26.405 -14.035 7.788 1.00 42.01 H new ATOM 0 HE21 GLN A 55 26.341 -17.271 7.799 1.00 74.20 H new ATOM 0 HE22 GLN A 55 26.815 -17.612 9.466 1.00 74.20 H new ATOM 784 N LEU A 56 21.500 -12.889 7.439 1.00 51.31 N ATOM 785 CA LEU A 56 20.222 -12.314 7.846 1.00 44.33 C ATOM 786 C LEU A 56 19.314 -13.379 8.450 1.00 35.12 C ATOM 787 O LEU A 56 18.932 -14.338 7.779 1.00 20.23 O ATOM 788 CB LEU A 56 19.532 -11.657 6.649 1.00 71.31 C ATOM 789 CG LEU A 56 19.913 -10.203 6.369 1.00 72.12 C ATOM 790 CD1 LEU A 56 19.426 -9.298 7.490 1.00 23.43 C ATOM 791 CD2 LEU A 56 21.418 -10.071 6.190 1.00 62.14 C ATOM 0 H LEU A 56 21.421 -13.704 6.831 1.00 51.31 H new ATOM 0 HA LEU A 56 20.417 -11.557 8.605 1.00 44.33 H new ATOM 0 HB2 LEU A 56 19.752 -12.247 5.759 1.00 71.31 H new ATOM 0 HB3 LEU A 56 18.454 -11.706 6.805 1.00 71.31 H new ATOM 0 HG LEU A 56 19.429 -9.893 5.443 1.00 72.12 H new ATOM 0 HD11 LEU A 56 19.706 -8.267 7.273 1.00 23.43 H new ATOM 0 HD12 LEU A 56 18.341 -9.370 7.570 1.00 23.43 H new ATOM 0 HD13 LEU A 56 19.881 -9.607 8.431 1.00 23.43 H new ATOM 0 HD21 LEU A 56 21.671 -9.029 5.992 1.00 62.14 H new ATOM 0 HD22 LEU A 56 21.923 -10.400 7.098 1.00 62.14 H new ATOM 0 HD23 LEU A 56 21.740 -10.689 5.352 1.00 62.14 H new ATOM 803 N VAL A 57 18.968 -13.203 9.722 1.00 63.12 N ATOM 804 CA VAL A 57 18.101 -14.147 10.416 1.00 22.42 C ATOM 805 C VAL A 57 16.631 -13.804 10.202 1.00 4.42 C ATOM 806 O VAL A 57 15.766 -14.678 10.245 1.00 22.44 O ATOM 807 CB VAL A 57 18.396 -14.173 11.928 1.00 62.22 C ATOM 808 CG1 VAL A 57 19.890 -14.313 12.178 1.00 10.01 C ATOM 809 CG2 VAL A 57 17.850 -12.922 12.598 1.00 14.13 C ATOM 0 H VAL A 57 19.275 -12.415 10.292 1.00 63.12 H new ATOM 0 HA VAL A 57 18.306 -15.132 9.996 1.00 22.42 H new ATOM 0 HB VAL A 57 17.896 -15.038 12.364 1.00 62.22 H new ATOM 0 HG11 VAL A 57 20.079 -14.330 13.251 1.00 10.01 H new ATOM 0 HG12 VAL A 57 20.248 -15.241 11.732 1.00 10.01 H new ATOM 0 HG13 VAL A 57 20.415 -13.469 11.730 1.00 10.01 H new ATOM 0 HG21 VAL A 57 18.067 -12.957 13.666 1.00 14.13 H new ATOM 0 HG22 VAL A 57 18.319 -12.041 12.161 1.00 14.13 H new ATOM 0 HG23 VAL A 57 16.772 -12.870 12.449 1.00 14.13 H new ATOM 819 N ARG A 58 16.356 -12.524 9.971 1.00 62.22 N ATOM 820 CA ARG A 58 14.990 -12.064 9.751 1.00 65.25 C ATOM 821 C ARG A 58 14.208 -12.038 11.060 1.00 13.01 C ATOM 822 O ARG A 58 13.734 -10.987 11.492 1.00 43.44 O ATOM 823 CB ARG A 58 14.282 -12.967 8.739 1.00 65.22 C ATOM 824 CG ARG A 58 13.431 -12.207 7.735 1.00 11.13 C ATOM 825 CD ARG A 58 11.998 -12.715 7.722 1.00 32.44 C ATOM 826 NE ARG A 58 11.125 -11.914 8.576 1.00 31.00 N ATOM 827 CZ ARG A 58 9.810 -12.085 8.648 1.00 14.44 C ATOM 828 NH1 ARG A 58 9.218 -13.023 7.922 1.00 25.33 N ATOM 829 NH2 ARG A 58 9.083 -11.315 9.449 1.00 73.50 N ATOM 0 H ARG A 58 17.061 -11.788 9.931 1.00 62.22 H new ATOM 0 HA ARG A 58 15.034 -11.050 9.354 1.00 65.25 H new ATOM 0 HB2 ARG A 58 15.029 -13.551 8.201 1.00 65.22 H new ATOM 0 HB3 ARG A 58 13.650 -13.675 9.276 1.00 65.22 H new ATOM 0 HG2 ARG A 58 13.439 -11.145 7.980 1.00 11.13 H new ATOM 0 HG3 ARG A 58 13.863 -12.308 6.739 1.00 11.13 H new ATOM 0 HD2 ARG A 58 11.618 -12.701 6.701 1.00 32.44 H new ATOM 0 HD3 ARG A 58 11.978 -13.753 8.055 1.00 32.44 H new ATOM 0 HE ARG A 58 11.548 -11.183 9.148 1.00 31.00 H new ATOM 0 HH11 ARG A 58 9.773 -13.617 7.305 1.00 25.33 H new ATOM 0 HH12 ARG A 58 8.208 -13.151 7.980 1.00 25.33 H new ATOM 0 HH21 ARG A 58 9.535 -10.592 10.009 1.00 73.50 H new ATOM 0 HH22 ARG A 58 8.073 -11.446 9.504 1.00 73.50 H new ATOM 843 N PHE A 59 14.075 -13.202 11.688 1.00 41.15 N ATOM 844 CA PHE A 59 13.348 -13.313 12.947 1.00 65.00 C ATOM 845 C PHE A 59 14.289 -13.696 14.086 1.00 44.43 C ATOM 846 O PHE A 59 15.153 -14.558 13.928 1.00 3.32 O ATOM 847 CB PHE A 59 12.229 -14.349 12.825 1.00 64.41 C ATOM 848 CG PHE A 59 11.560 -14.665 14.132 1.00 73.13 C ATOM 849 CD1 PHE A 59 10.576 -13.832 14.640 1.00 21.43 C ATOM 850 CD2 PHE A 59 11.914 -15.795 14.852 1.00 43.51 C ATOM 851 CE1 PHE A 59 9.957 -14.120 15.842 1.00 24.24 C ATOM 852 CE2 PHE A 59 11.299 -16.088 16.054 1.00 11.32 C ATOM 853 CZ PHE A 59 10.320 -15.249 16.551 1.00 42.13 C ATOM 0 H PHE A 59 14.461 -14.082 11.345 1.00 41.15 H new ATOM 0 HA PHE A 59 12.910 -12.340 13.172 1.00 65.00 H new ATOM 0 HB2 PHE A 59 11.481 -13.983 12.122 1.00 64.41 H new ATOM 0 HB3 PHE A 59 12.639 -15.267 12.404 1.00 64.41 H new ATOM 0 HD1 PHE A 59 10.289 -12.948 14.090 1.00 21.43 H new ATOM 0 HD2 PHE A 59 12.679 -16.454 14.469 1.00 43.51 H new ATOM 0 HE1 PHE A 59 9.191 -13.463 16.226 1.00 24.24 H new ATOM 0 HE2 PHE A 59 11.583 -16.972 16.605 1.00 11.32 H new ATOM 0 HZ PHE A 59 9.840 -15.475 17.491 1.00 42.13 H new ATOM 863 N ALA A 60 14.115 -13.047 15.233 1.00 72.34 N ATOM 864 CA ALA A 60 14.946 -13.320 16.398 1.00 3.34 C ATOM 865 C ALA A 60 14.988 -14.813 16.706 1.00 11.42 C ATOM 866 O ALA A 60 13.975 -15.411 17.065 1.00 14.23 O ATOM 867 CB ALA A 60 14.436 -12.544 17.604 1.00 73.32 C ATOM 0 H ALA A 60 13.406 -12.329 15.380 1.00 72.34 H new ATOM 0 HA ALA A 60 15.961 -12.994 16.173 1.00 3.34 H new ATOM 0 HB1 ALA A 60 15.066 -12.758 18.467 1.00 73.32 H new ATOM 0 HB2 ALA A 60 14.466 -11.476 17.388 1.00 73.32 H new ATOM 0 HB3 ALA A 60 13.410 -12.842 17.821 1.00 73.32 H new ATOM 873 N GLY A 61 16.167 -15.409 16.562 1.00 24.54 N ATOM 874 CA GLY A 61 16.318 -16.828 16.828 1.00 23.14 C ATOM 875 C GLY A 61 17.312 -17.491 15.895 1.00 41.50 C ATOM 876 O GLY A 61 17.701 -18.639 16.106 1.00 65.45 O ATOM 0 H GLY A 61 17.020 -14.935 16.266 1.00 24.54 H new ATOM 0 HA2 GLY A 61 16.643 -16.969 17.859 1.00 23.14 H new ATOM 0 HA3 GLY A 61 15.349 -17.318 16.729 1.00 23.14 H new ATOM 880 N TYR A 62 17.722 -16.766 14.860 1.00 64.21 N ATOM 881 CA TYR A 62 18.674 -17.292 13.888 1.00 33.11 C ATOM 882 C TYR A 62 18.052 -18.423 13.074 1.00 22.14 C ATOM 883 O TYR A 62 18.361 -19.597 13.283 1.00 72.14 O ATOM 884 CB TYR A 62 19.934 -17.791 14.596 1.00 65.30 C ATOM 885 CG TYR A 62 20.326 -16.957 15.795 1.00 62.32 C ATOM 886 CD1 TYR A 62 20.865 -15.687 15.636 1.00 4.20 C ATOM 887 CD2 TYR A 62 20.156 -17.440 17.087 1.00 41.13 C ATOM 888 CE1 TYR A 62 21.225 -14.922 16.729 1.00 44.15 C ATOM 889 CE2 TYR A 62 20.512 -16.681 18.185 1.00 32.42 C ATOM 890 CZ TYR A 62 21.046 -15.423 18.001 1.00 65.41 C ATOM 891 OH TYR A 62 21.402 -14.664 19.092 1.00 45.11 O ATOM 0 H TYR A 62 17.410 -15.813 14.672 1.00 64.21 H new ATOM 0 HA TYR A 62 18.944 -16.485 13.207 1.00 33.11 H new ATOM 0 HB2 TYR A 62 19.777 -18.821 14.916 1.00 65.30 H new ATOM 0 HB3 TYR A 62 20.760 -17.801 13.885 1.00 65.30 H new ATOM 0 HD1 TYR A 62 21.005 -15.291 14.641 1.00 4.20 H new ATOM 0 HD2 TYR A 62 19.739 -18.425 17.235 1.00 41.13 H new ATOM 0 HE1 TYR A 62 21.644 -13.937 16.588 1.00 44.15 H new ATOM 0 HE2 TYR A 62 20.373 -17.071 19.182 1.00 32.42 H new ATOM 0 HH TYR A 62 21.210 -15.162 19.914 1.00 45.11 H new ATOM 901 N THR A 63 17.174 -18.061 12.145 1.00 52.15 N ATOM 902 CA THR A 63 16.507 -19.043 11.299 1.00 64.03 C ATOM 903 C THR A 63 15.526 -18.372 10.345 1.00 40.41 C ATOM 904 O THR A 63 14.413 -18.015 10.732 1.00 22.44 O ATOM 905 CB THR A 63 15.753 -20.090 12.140 1.00 2.33 C ATOM 906 OG1 THR A 63 14.909 -20.881 11.296 1.00 1.25 O ATOM 907 CG2 THR A 63 14.915 -19.417 13.217 1.00 42.32 C ATOM 0 H THR A 63 16.908 -17.094 11.959 1.00 52.15 H new ATOM 0 HA THR A 63 17.285 -19.543 10.723 1.00 64.03 H new ATOM 0 HB THR A 63 16.488 -20.734 12.623 1.00 2.33 H new ATOM 0 HG1 THR A 63 14.434 -21.545 11.838 1.00 1.25 H new ATOM 0 HG21 THR A 63 14.392 -20.176 13.798 1.00 42.32 H new ATOM 0 HG22 THR A 63 15.564 -18.840 13.875 1.00 42.32 H new ATOM 0 HG23 THR A 63 14.188 -18.752 12.750 1.00 42.32 H new ATOM 915 N VAL A 64 15.945 -18.202 9.095 1.00 50.03 N ATOM 916 CA VAL A 64 15.102 -17.575 8.084 1.00 14.43 C ATOM 917 C VAL A 64 14.613 -18.597 7.064 1.00 4.11 C ATOM 918 O VAL A 64 15.246 -19.633 6.854 1.00 13.31 O ATOM 919 CB VAL A 64 15.851 -16.448 7.348 1.00 22.50 C ATOM 920 CG1 VAL A 64 16.950 -17.025 6.468 1.00 51.31 C ATOM 921 CG2 VAL A 64 14.882 -15.612 6.526 1.00 32.51 C ATOM 0 H VAL A 64 16.864 -18.490 8.758 1.00 50.03 H new ATOM 0 HA VAL A 64 14.245 -17.150 8.607 1.00 14.43 H new ATOM 0 HB VAL A 64 16.315 -15.798 8.090 1.00 22.50 H new ATOM 0 HG11 VAL A 64 17.469 -16.215 5.956 1.00 51.31 H new ATOM 0 HG12 VAL A 64 17.659 -17.576 7.086 1.00 51.31 H new ATOM 0 HG13 VAL A 64 16.511 -17.698 5.731 1.00 51.31 H new ATOM 0 HG21 VAL A 64 15.429 -14.821 6.013 1.00 32.51 H new ATOM 0 HG22 VAL A 64 14.387 -16.247 5.791 1.00 32.51 H new ATOM 0 HG23 VAL A 64 14.135 -15.169 7.184 1.00 32.51 H new ATOM 931 N THR A 65 13.483 -18.299 6.430 1.00 22.34 N ATOM 932 CA THR A 65 12.909 -19.192 5.432 1.00 72.20 C ATOM 933 C THR A 65 13.719 -19.167 4.141 1.00 51.01 C ATOM 934 O THR A 65 14.517 -20.066 3.882 1.00 65.45 O ATOM 935 CB THR A 65 11.449 -18.817 5.116 1.00 12.40 C ATOM 936 OG1 THR A 65 11.221 -17.436 5.420 1.00 43.11 O ATOM 937 CG2 THR A 65 10.483 -19.682 5.912 1.00 41.05 C ATOM 0 H THR A 65 12.948 -17.446 6.590 1.00 22.34 H new ATOM 0 HA THR A 65 12.935 -20.196 5.855 1.00 72.20 H new ATOM 0 HB THR A 65 11.275 -18.989 4.054 1.00 12.40 H new ATOM 0 HG1 THR A 65 10.261 -17.244 5.368 1.00 43.11 H new ATOM 0 HG21 THR A 65 9.458 -19.399 5.672 1.00 41.05 H new ATOM 0 HG22 THR A 65 10.639 -20.730 5.657 1.00 41.05 H new ATOM 0 HG23 THR A 65 10.659 -19.538 6.978 1.00 41.05 H new ATOM 945 N GLU A 66 13.508 -18.131 3.335 1.00 12.33 N ATOM 946 CA GLU A 66 14.220 -17.990 2.071 1.00 53.15 C ATOM 947 C GLU A 66 14.253 -16.531 1.624 1.00 13.03 C ATOM 948 O GLU A 66 13.820 -15.637 2.353 1.00 71.02 O ATOM 949 CB GLU A 66 13.561 -18.850 0.990 1.00 33.34 C ATOM 950 CG GLU A 66 12.140 -18.427 0.658 1.00 72.01 C ATOM 951 CD GLU A 66 11.707 -18.871 -0.726 1.00 24.31 C ATOM 952 OE1 GLU A 66 12.571 -18.930 -1.626 1.00 51.54 O ATOM 953 OE2 GLU A 66 10.506 -19.160 -0.909 1.00 25.34 O ATOM 0 H GLU A 66 12.850 -17.378 3.535 1.00 12.33 H new ATOM 0 HA GLU A 66 15.245 -18.329 2.222 1.00 53.15 H new ATOM 0 HB2 GLU A 66 14.165 -18.806 0.084 1.00 33.34 H new ATOM 0 HB3 GLU A 66 13.554 -19.889 1.318 1.00 33.34 H new ATOM 0 HG2 GLU A 66 11.458 -18.844 1.399 1.00 72.01 H new ATOM 0 HG3 GLU A 66 12.062 -17.342 0.728 1.00 72.01 H new ATOM 960 N LEU A 67 14.770 -16.298 0.423 1.00 14.30 N ATOM 961 CA LEU A 67 14.860 -14.947 -0.122 1.00 23.43 C ATOM 962 C LEU A 67 13.473 -14.373 -0.388 1.00 75.45 C ATOM 963 O LEU A 67 13.266 -13.163 -0.312 1.00 54.21 O ATOM 964 CB LEU A 67 15.680 -14.951 -1.413 1.00 70.33 C ATOM 965 CG LEU A 67 15.236 -15.946 -2.487 1.00 1.41 C ATOM 966 CD1 LEU A 67 14.221 -15.305 -3.421 1.00 4.11 C ATOM 967 CD2 LEU A 67 16.437 -16.456 -3.270 1.00 72.01 C ATOM 0 H LEU A 67 15.133 -17.026 -0.192 1.00 14.30 H new ATOM 0 HA LEU A 67 15.357 -14.317 0.615 1.00 23.43 H new ATOM 0 HB2 LEU A 67 15.652 -13.949 -1.841 1.00 70.33 H new ATOM 0 HB3 LEU A 67 16.719 -15.160 -1.159 1.00 70.33 H new ATOM 0 HG LEU A 67 14.761 -16.795 -1.995 1.00 1.41 H new ATOM 0 HD11 LEU A 67 13.917 -16.027 -4.178 1.00 4.11 H new ATOM 0 HD12 LEU A 67 13.348 -14.990 -2.849 1.00 4.11 H new ATOM 0 HD13 LEU A 67 14.670 -14.438 -3.906 1.00 4.11 H new ATOM 0 HD21 LEU A 67 16.103 -17.163 -4.030 1.00 72.01 H new ATOM 0 HD22 LEU A 67 16.941 -15.617 -3.751 1.00 72.01 H new ATOM 0 HD23 LEU A 67 17.129 -16.954 -2.591 1.00 72.01 H new ATOM 979 N ALA A 68 12.525 -15.251 -0.700 1.00 35.34 N ATOM 980 CA ALA A 68 11.155 -14.832 -0.973 1.00 65.53 C ATOM 981 C ALA A 68 10.570 -14.065 0.207 1.00 41.40 C ATOM 982 O ALA A 68 9.920 -13.035 0.029 1.00 74.23 O ATOM 983 CB ALA A 68 10.290 -16.040 -1.302 1.00 12.25 C ATOM 0 H ALA A 68 12.680 -16.257 -0.770 1.00 35.34 H new ATOM 0 HA ALA A 68 11.170 -14.164 -1.834 1.00 65.53 H new ATOM 0 HB1 ALA A 68 9.270 -15.713 -1.504 1.00 12.25 H new ATOM 0 HB2 ALA A 68 10.690 -16.545 -2.181 1.00 12.25 H new ATOM 0 HB3 ALA A 68 10.290 -16.728 -0.457 1.00 12.25 H new ATOM 989 N ALA A 69 10.805 -14.572 1.412 1.00 31.44 N ATOM 990 CA ALA A 69 10.302 -13.933 2.622 1.00 73.21 C ATOM 991 C ALA A 69 10.931 -12.558 2.819 1.00 64.41 C ATOM 992 O ALA A 69 10.244 -11.591 3.148 1.00 63.22 O ATOM 993 CB ALA A 69 10.565 -14.815 3.834 1.00 61.04 C ATOM 0 H ALA A 69 11.341 -15.424 1.577 1.00 31.44 H new ATOM 0 HA ALA A 69 9.226 -13.799 2.511 1.00 73.21 H new ATOM 0 HB1 ALA A 69 10.184 -14.325 4.730 1.00 61.04 H new ATOM 0 HB2 ALA A 69 10.062 -15.773 3.703 1.00 61.04 H new ATOM 0 HB3 ALA A 69 11.637 -14.979 3.938 1.00 61.04 H new ATOM 999 N PHE A 70 12.242 -12.479 2.616 1.00 4.35 N ATOM 1000 CA PHE A 70 12.965 -11.222 2.774 1.00 42.03 C ATOM 1001 C PHE A 70 12.575 -10.230 1.681 1.00 25.25 C ATOM 1002 O PHE A 70 12.584 -9.019 1.897 1.00 53.03 O ATOM 1003 CB PHE A 70 14.475 -11.469 2.739 1.00 73.55 C ATOM 1004 CG PHE A 70 15.291 -10.224 2.937 1.00 20.51 C ATOM 1005 CD1 PHE A 70 15.331 -9.596 4.171 1.00 21.04 C ATOM 1006 CD2 PHE A 70 16.019 -9.683 1.890 1.00 53.11 C ATOM 1007 CE1 PHE A 70 16.081 -8.450 4.356 1.00 11.14 C ATOM 1008 CE2 PHE A 70 16.771 -8.537 2.069 1.00 32.01 C ATOM 1009 CZ PHE A 70 16.803 -7.920 3.304 1.00 34.44 C ATOM 0 H PHE A 70 12.825 -13.270 2.342 1.00 4.35 H new ATOM 0 HA PHE A 70 12.696 -10.796 3.741 1.00 42.03 H new ATOM 0 HB2 PHE A 70 14.735 -12.191 3.513 1.00 73.55 H new ATOM 0 HB3 PHE A 70 14.739 -11.919 1.782 1.00 73.55 H new ATOM 0 HD1 PHE A 70 14.770 -10.006 4.998 1.00 21.04 H new ATOM 0 HD2 PHE A 70 15.999 -10.162 0.922 1.00 53.11 H new ATOM 0 HE1 PHE A 70 16.103 -7.969 5.323 1.00 11.14 H new ATOM 0 HE2 PHE A 70 17.333 -8.125 1.244 1.00 32.01 H new ATOM 0 HZ PHE A 70 17.391 -7.025 3.447 1.00 34.44 H new ATOM 1019 N ASN A 71 12.235 -10.754 0.509 1.00 61.45 N ATOM 1020 CA ASN A 71 11.843 -9.916 -0.619 1.00 4.14 C ATOM 1021 C ASN A 71 10.463 -9.307 -0.390 1.00 21.31 C ATOM 1022 O ASN A 71 10.197 -8.174 -0.793 1.00 34.50 O ATOM 1023 CB ASN A 71 11.845 -10.732 -1.913 1.00 3.31 C ATOM 1024 CG ASN A 71 11.701 -9.860 -3.146 1.00 34.43 C ATOM 1025 OD1 ASN A 71 10.668 -9.222 -3.350 1.00 43.34 O ATOM 1026 ND2 ASN A 71 12.738 -9.831 -3.974 1.00 70.13 N ATOM 0 H ASN A 71 12.223 -11.755 0.315 1.00 61.45 H new ATOM 0 HA ASN A 71 12.568 -9.107 -0.707 1.00 4.14 H new ATOM 0 HB2 ASN A 71 12.773 -11.300 -1.980 1.00 3.31 H new ATOM 0 HB3 ASN A 71 11.030 -11.455 -1.885 1.00 3.31 H new ATOM 0 HD21 ASN A 71 12.699 -9.263 -4.820 1.00 70.13 H new ATOM 0 HD22 ASN A 71 13.574 -10.376 -3.764 1.00 70.13 H new ATOM 1033 N THR A 72 9.588 -10.067 0.261 1.00 75.34 N ATOM 1034 CA THR A 72 8.235 -9.604 0.543 1.00 72.21 C ATOM 1035 C THR A 72 8.237 -8.524 1.619 1.00 74.32 C ATOM 1036 O THR A 72 7.594 -7.485 1.471 1.00 73.05 O ATOM 1037 CB THR A 72 7.327 -10.763 0.997 1.00 64.44 C ATOM 1038 OG1 THR A 72 8.121 -11.819 1.550 1.00 70.24 O ATOM 1039 CG2 THR A 72 6.507 -11.296 -0.168 1.00 54.13 C ATOM 0 H THR A 72 9.792 -11.006 0.603 1.00 75.34 H new ATOM 0 HA THR A 72 7.844 -9.188 -0.385 1.00 72.21 H new ATOM 0 HB THR A 72 6.645 -10.384 1.758 1.00 64.44 H new ATOM 0 HG1 THR A 72 8.676 -11.465 2.276 1.00 70.24 H new ATOM 0 HG21 THR A 72 5.874 -12.113 0.177 1.00 54.13 H new ATOM 0 HG22 THR A 72 5.883 -10.498 -0.569 1.00 54.13 H new ATOM 0 HG23 THR A 72 7.176 -11.659 -0.948 1.00 54.13 H new ATOM 1047 N VAL A 73 8.964 -8.776 2.702 1.00 21.35 N ATOM 1048 CA VAL A 73 9.051 -7.824 3.803 1.00 21.22 C ATOM 1049 C VAL A 73 9.685 -6.515 3.348 1.00 4.33 C ATOM 1050 O VAL A 73 9.246 -5.432 3.736 1.00 5.12 O ATOM 1051 CB VAL A 73 9.867 -8.397 4.977 1.00 3.43 C ATOM 1052 CG1 VAL A 73 9.136 -9.568 5.615 1.00 10.13 C ATOM 1053 CG2 VAL A 73 11.253 -8.814 4.509 1.00 60.02 C ATOM 0 H VAL A 73 9.502 -9.632 2.841 1.00 21.35 H new ATOM 0 HA VAL A 73 8.032 -7.633 4.138 1.00 21.22 H new ATOM 0 HB VAL A 73 9.982 -7.618 5.731 1.00 3.43 H new ATOM 0 HG11 VAL A 73 9.728 -9.959 6.442 1.00 10.13 H new ATOM 0 HG12 VAL A 73 8.168 -9.233 5.988 1.00 10.13 H new ATOM 0 HG13 VAL A 73 8.987 -10.352 4.873 1.00 10.13 H new ATOM 0 HG21 VAL A 73 11.816 -9.216 5.351 1.00 60.02 H new ATOM 0 HG22 VAL A 73 11.162 -9.577 3.736 1.00 60.02 H new ATOM 0 HG23 VAL A 73 11.776 -7.948 4.104 1.00 60.02 H new ATOM 1063 N VAL A 74 10.721 -6.621 2.522 1.00 4.12 N ATOM 1064 CA VAL A 74 11.416 -5.445 2.012 1.00 3.02 C ATOM 1065 C VAL A 74 10.529 -4.652 1.059 1.00 34.34 C ATOM 1066 O VAL A 74 10.383 -3.438 1.196 1.00 32.01 O ATOM 1067 CB VAL A 74 12.716 -5.833 1.282 1.00 33.52 C ATOM 1068 CG1 VAL A 74 13.298 -4.632 0.553 1.00 24.42 C ATOM 1069 CG2 VAL A 74 13.724 -6.413 2.262 1.00 21.35 C ATOM 0 H VAL A 74 11.098 -7.510 2.192 1.00 4.12 H new ATOM 0 HA VAL A 74 11.663 -4.826 2.874 1.00 3.02 H new ATOM 0 HB VAL A 74 12.482 -6.598 0.542 1.00 33.52 H new ATOM 0 HG11 VAL A 74 14.216 -4.925 0.043 1.00 24.42 H new ATOM 0 HG12 VAL A 74 12.578 -4.266 -0.179 1.00 24.42 H new ATOM 0 HG13 VAL A 74 13.518 -3.842 1.271 1.00 24.42 H new ATOM 0 HG21 VAL A 74 14.636 -6.682 1.729 1.00 21.35 H new ATOM 0 HG22 VAL A 74 13.955 -5.672 3.027 1.00 21.35 H new ATOM 0 HG23 VAL A 74 13.304 -7.302 2.733 1.00 21.35 H new ATOM 1079 N ALA A 75 9.937 -5.348 0.094 1.00 13.01 N ATOM 1080 CA ALA A 75 9.061 -4.710 -0.880 1.00 54.35 C ATOM 1081 C ALA A 75 7.821 -4.130 -0.208 1.00 31.23 C ATOM 1082 O ALA A 75 7.412 -3.006 -0.501 1.00 22.55 O ATOM 1083 CB ALA A 75 8.661 -5.703 -1.961 1.00 62.15 C ATOM 0 H ALA A 75 10.048 -6.354 -0.034 1.00 13.01 H new ATOM 0 HA ALA A 75 9.610 -3.889 -1.341 1.00 54.35 H new ATOM 0 HB1 ALA A 75 8.007 -5.212 -2.682 1.00 62.15 H new ATOM 0 HB2 ALA A 75 9.554 -6.066 -2.470 1.00 62.15 H new ATOM 0 HB3 ALA A 75 8.135 -6.543 -1.507 1.00 62.15 H new ATOM 1089 N ARG A 76 7.226 -4.904 0.694 1.00 24.43 N ATOM 1090 CA ARG A 76 6.032 -4.468 1.407 1.00 32.11 C ATOM 1091 C ARG A 76 6.247 -3.097 2.040 1.00 10.52 C ATOM 1092 O ARG A 76 5.430 -2.190 1.875 1.00 3.30 O ATOM 1093 CB ARG A 76 5.655 -5.486 2.485 1.00 1.12 C ATOM 1094 CG ARG A 76 4.577 -6.464 2.049 1.00 72.31 C ATOM 1095 CD ARG A 76 4.782 -6.915 0.611 1.00 2.11 C ATOM 1096 NE ARG A 76 3.941 -6.170 -0.321 1.00 51.55 N ATOM 1097 CZ ARG A 76 3.719 -6.549 -1.575 1.00 52.41 C ATOM 1098 NH1 ARG A 76 4.273 -7.659 -2.043 1.00 55.44 N ATOM 1099 NH2 ARG A 76 2.941 -5.817 -2.363 1.00 20.12 N ATOM 0 H ARG A 76 7.552 -5.837 0.948 1.00 24.43 H new ATOM 0 HA ARG A 76 5.217 -4.393 0.687 1.00 32.11 H new ATOM 0 HB2 ARG A 76 6.546 -6.045 2.772 1.00 1.12 H new ATOM 0 HB3 ARG A 76 5.313 -4.953 3.372 1.00 1.12 H new ATOM 0 HG2 ARG A 76 4.584 -7.332 2.708 1.00 72.31 H new ATOM 0 HG3 ARG A 76 3.598 -5.996 2.148 1.00 72.31 H new ATOM 0 HD2 ARG A 76 5.829 -6.787 0.337 1.00 2.11 H new ATOM 0 HD3 ARG A 76 4.559 -7.979 0.529 1.00 2.11 H new ATOM 0 HE ARG A 76 3.500 -5.311 0.008 1.00 51.55 H new ATOM 0 HH11 ARG A 76 4.871 -8.224 -1.440 1.00 55.44 H new ATOM 0 HH12 ARG A 76 4.101 -7.948 -3.006 1.00 55.44 H new ATOM 0 HH21 ARG A 76 2.513 -4.963 -2.006 1.00 20.12 H new ATOM 0 HH22 ARG A 76 2.771 -6.109 -3.326 1.00 20.12 H new ATOM 1113 N HIS A 77 7.351 -2.952 2.766 1.00 22.10 N ATOM 1114 CA HIS A 77 7.674 -1.691 3.424 1.00 30.12 C ATOM 1115 C HIS A 77 8.342 -0.725 2.450 1.00 21.32 C ATOM 1116 O HIS A 77 9.569 -0.638 2.390 1.00 54.50 O ATOM 1117 CB HIS A 77 8.589 -1.937 4.624 1.00 33.44 C ATOM 1118 CG HIS A 77 7.970 -2.798 5.683 1.00 53.24 C ATOM 1119 ND1 HIS A 77 6.610 -2.853 5.907 1.00 24.54 N ATOM 1120 CD2 HIS A 77 8.533 -3.641 6.579 1.00 74.51 C ATOM 1121 CE1 HIS A 77 6.364 -3.693 6.897 1.00 1.23 C ATOM 1122 NE2 HIS A 77 7.514 -4.185 7.322 1.00 12.01 N ATOM 0 H HIS A 77 8.037 -3.692 2.914 1.00 22.10 H new ATOM 0 HA HIS A 77 6.743 -1.243 3.772 1.00 30.12 H new ATOM 0 HB2 HIS A 77 9.510 -2.406 4.278 1.00 33.44 H new ATOM 0 HB3 HIS A 77 8.865 -0.978 5.062 1.00 33.44 H new ATOM 0 HD2 HIS A 77 9.587 -3.848 6.689 1.00 74.51 H new ATOM 0 HE1 HIS A 77 5.388 -3.936 7.292 1.00 1.23 H new ATOM 0 HE2 HIS A 77 7.627 -4.859 8.079 1.00 12.01 H new ATOM 1130 N VAL A 78 7.527 -0.003 1.688 1.00 1.42 N ATOM 1131 CA VAL A 78 8.039 0.957 0.717 1.00 30.01 C ATOM 1132 C VAL A 78 8.121 2.356 1.317 1.00 34.04 C ATOM 1133 O VAL A 78 7.867 3.350 0.637 1.00 45.20 O ATOM 1134 CB VAL A 78 7.158 1.003 -0.545 1.00 75.52 C ATOM 1135 CG1 VAL A 78 5.815 1.647 -0.236 1.00 72.10 C ATOM 1136 CG2 VAL A 78 7.870 1.746 -1.665 1.00 73.22 C ATOM 0 H VAL A 78 6.509 -0.064 1.724 1.00 1.42 H new ATOM 0 HA VAL A 78 9.040 0.624 0.441 1.00 30.01 H new ATOM 0 HB VAL A 78 6.976 -0.019 -0.877 1.00 75.52 H new ATOM 0 HG11 VAL A 78 5.206 1.671 -1.140 1.00 72.10 H new ATOM 0 HG12 VAL A 78 5.302 1.068 0.532 1.00 72.10 H new ATOM 0 HG13 VAL A 78 5.973 2.664 0.122 1.00 72.10 H new ATOM 0 HG21 VAL A 78 7.233 1.769 -2.549 1.00 73.22 H new ATOM 0 HG22 VAL A 78 8.085 2.766 -1.346 1.00 73.22 H new ATOM 0 HG23 VAL A 78 8.804 1.236 -1.904 1.00 73.22 H new ATOM 1146 N ARG A 79 8.476 2.425 2.596 1.00 2.41 N ATOM 1147 CA ARG A 79 8.591 3.703 3.289 1.00 73.00 C ATOM 1148 C ARG A 79 9.876 4.423 2.892 1.00 2.24 C ATOM 1149 O ARG A 79 10.857 3.809 2.472 1.00 32.31 O ATOM 1150 CB ARG A 79 8.559 3.491 4.804 1.00 70.44 C ATOM 1151 CG ARG A 79 7.295 4.015 5.466 1.00 63.12 C ATOM 1152 CD ARG A 79 6.240 2.927 5.593 1.00 65.11 C ATOM 1153 NE ARG A 79 5.712 2.833 6.951 1.00 21.21 N ATOM 1154 CZ ARG A 79 4.663 2.088 7.282 1.00 63.33 C ATOM 1155 NH1 ARG A 79 4.034 1.375 6.357 1.00 3.13 N ATOM 1156 NH2 ARG A 79 4.242 2.054 8.540 1.00 70.25 N ATOM 0 H ARG A 79 8.689 1.611 3.173 1.00 2.41 H new ATOM 0 HA ARG A 79 7.743 4.323 2.998 1.00 73.00 H new ATOM 0 HB2 ARG A 79 8.655 2.426 5.015 1.00 70.44 H new ATOM 0 HB3 ARG A 79 9.423 3.984 5.250 1.00 70.44 H new ATOM 0 HG2 ARG A 79 7.536 4.406 6.454 1.00 63.12 H new ATOM 0 HG3 ARG A 79 6.895 4.845 4.883 1.00 63.12 H new ATOM 0 HD2 ARG A 79 5.424 3.131 4.900 1.00 65.11 H new ATOM 0 HD3 ARG A 79 6.671 1.968 5.305 1.00 65.11 H new ATOM 0 HE ARG A 79 6.174 3.369 7.686 1.00 21.21 H new ATOM 0 HH11 ARG A 79 4.356 1.398 5.389 1.00 3.13 H new ATOM 0 HH12 ARG A 79 3.229 0.804 6.613 1.00 3.13 H new ATOM 0 HH21 ARG A 79 4.724 2.600 9.254 1.00 70.25 H new ATOM 0 HH22 ARG A 79 3.436 1.482 8.793 1.00 70.25 H new ATOM 1170 N PRO A 80 9.873 5.758 3.028 1.00 61.40 N ATOM 1171 CA PRO A 80 11.031 6.590 2.689 1.00 10.43 C ATOM 1172 C PRO A 80 12.189 6.396 3.662 1.00 1.20 C ATOM 1173 O PRO A 80 13.290 6.901 3.441 1.00 55.53 O ATOM 1174 CB PRO A 80 10.483 8.016 2.788 1.00 43.42 C ATOM 1175 CG PRO A 80 9.340 7.918 3.737 1.00 15.13 C ATOM 1176 CD PRO A 80 8.739 6.556 3.523 1.00 42.22 C ATOM 0 HA PRO A 80 11.439 6.342 1.709 1.00 10.43 H new ATOM 0 HB2 PRO A 80 11.242 8.707 3.153 1.00 43.42 H new ATOM 0 HB3 PRO A 80 10.159 8.384 1.815 1.00 43.42 H new ATOM 0 HG2 PRO A 80 9.676 8.039 4.767 1.00 15.13 H new ATOM 0 HG3 PRO A 80 8.607 8.702 3.547 1.00 15.13 H new ATOM 0 HD2 PRO A 80 8.332 6.146 4.448 1.00 42.22 H new ATOM 0 HD3 PRO A 80 7.923 6.586 2.801 1.00 42.22 H new ATOM 1184 N SER A 81 11.934 5.661 4.739 1.00 20.44 N ATOM 1185 CA SER A 81 12.955 5.402 5.748 1.00 41.50 C ATOM 1186 C SER A 81 12.385 4.579 6.899 1.00 5.12 C ATOM 1187 O SER A 81 12.567 4.918 8.068 1.00 21.13 O ATOM 1188 CB SER A 81 13.521 6.720 6.280 1.00 43.42 C ATOM 1189 OG SER A 81 14.697 7.090 5.580 1.00 73.12 O ATOM 0 H SER A 81 11.029 5.234 4.936 1.00 20.44 H new ATOM 0 HA SER A 81 13.758 4.832 5.280 1.00 41.50 H new ATOM 0 HB2 SER A 81 12.773 7.507 6.182 1.00 43.42 H new ATOM 0 HB3 SER A 81 13.742 6.622 7.343 1.00 43.42 H new ATOM 0 HG SER A 81 14.509 7.121 4.619 1.00 73.12 H new ATOM 1195 N ALA A 82 11.695 3.496 6.559 1.00 64.43 N ATOM 1196 CA ALA A 82 11.100 2.622 7.563 1.00 45.15 C ATOM 1197 C ALA A 82 12.175 1.935 8.398 1.00 31.33 C ATOM 1198 O ALA A 82 13.055 1.261 7.863 1.00 73.32 O ATOM 1199 CB ALA A 82 10.204 1.588 6.898 1.00 62.23 C ATOM 0 H ALA A 82 11.534 3.202 5.596 1.00 64.43 H new ATOM 0 HA ALA A 82 10.495 3.235 8.231 1.00 45.15 H new ATOM 0 HB1 ALA A 82 9.766 0.942 7.659 1.00 62.23 H new ATOM 0 HB2 ALA A 82 9.409 2.094 6.351 1.00 62.23 H new ATOM 0 HB3 ALA A 82 10.794 0.986 6.207 1.00 62.23 H new ATOM 1205 N SER A 83 12.098 2.110 9.714 1.00 54.54 N ATOM 1206 CA SER A 83 13.067 1.511 10.623 1.00 34.42 C ATOM 1207 C SER A 83 12.572 0.159 11.129 1.00 64.30 C ATOM 1208 O SER A 83 11.785 0.087 12.073 1.00 54.23 O ATOM 1209 CB SER A 83 13.333 2.444 11.806 1.00 65.22 C ATOM 1210 OG SER A 83 13.622 3.759 11.363 1.00 63.52 O ATOM 0 H SER A 83 11.374 2.662 10.174 1.00 54.54 H new ATOM 0 HA SER A 83 13.996 1.357 10.075 1.00 34.42 H new ATOM 0 HB2 SER A 83 12.463 2.461 12.463 1.00 65.22 H new ATOM 0 HB3 SER A 83 14.168 2.063 12.393 1.00 65.22 H new ATOM 0 HG SER A 83 13.787 4.336 12.138 1.00 63.52 H new ATOM 1216 N ILE A 84 13.041 -0.911 10.494 1.00 13.53 N ATOM 1217 CA ILE A 84 12.648 -2.260 10.880 1.00 72.22 C ATOM 1218 C ILE A 84 13.785 -2.980 11.597 1.00 12.13 C ATOM 1219 O ILE A 84 14.933 -2.976 11.154 1.00 42.34 O ATOM 1220 CB ILE A 84 12.219 -3.093 9.657 1.00 10.41 C ATOM 1221 CG1 ILE A 84 11.087 -2.389 8.906 1.00 74.52 C ATOM 1222 CG2 ILE A 84 11.790 -4.487 10.090 1.00 55.44 C ATOM 1223 CD1 ILE A 84 11.420 -2.080 7.463 1.00 15.21 C ATOM 0 H ILE A 84 13.693 -0.869 9.711 1.00 13.53 H new ATOM 0 HA ILE A 84 11.800 -2.160 11.557 1.00 72.22 H new ATOM 0 HB ILE A 84 13.071 -3.190 8.984 1.00 10.41 H new ATOM 0 HG12 ILE A 84 10.196 -3.015 8.939 1.00 74.52 H new ATOM 0 HG13 ILE A 84 10.843 -1.460 9.421 1.00 74.52 H new ATOM 0 HG21 ILE A 84 11.490 -5.063 9.215 1.00 55.44 H new ATOM 0 HG22 ILE A 84 12.623 -4.986 10.585 1.00 55.44 H new ATOM 0 HG23 ILE A 84 10.950 -4.411 10.780 1.00 55.44 H new ATOM 0 HD11 ILE A 84 10.572 -1.581 6.993 1.00 15.21 H new ATOM 0 HD12 ILE A 84 12.293 -1.428 7.423 1.00 15.21 H new ATOM 0 HD13 ILE A 84 11.635 -3.008 6.933 1.00 15.21 H new ATOM 1235 N PRO A 85 13.460 -3.615 12.733 1.00 75.31 N ATOM 1236 CA PRO A 85 14.439 -4.354 13.535 1.00 1.12 C ATOM 1237 C PRO A 85 14.913 -5.627 12.843 1.00 22.32 C ATOM 1238 O PRO A 85 14.131 -6.550 12.614 1.00 13.34 O ATOM 1239 CB PRO A 85 13.667 -4.695 14.812 1.00 11.11 C ATOM 1240 CG PRO A 85 12.236 -4.703 14.399 1.00 72.14 C ATOM 1241 CD PRO A 85 12.110 -3.662 13.321 1.00 62.12 C ATOM 0 HA PRO A 85 15.344 -3.772 13.710 1.00 1.12 H new ATOM 0 HB2 PRO A 85 13.969 -5.663 15.211 1.00 11.11 H new ATOM 0 HB3 PRO A 85 13.849 -3.958 15.594 1.00 11.11 H new ATOM 0 HG2 PRO A 85 11.942 -5.685 14.029 1.00 72.14 H new ATOM 0 HG3 PRO A 85 11.585 -4.472 15.242 1.00 72.14 H new ATOM 0 HD2 PRO A 85 11.359 -3.938 12.581 1.00 62.12 H new ATOM 0 HD3 PRO A 85 11.815 -2.695 13.729 1.00 62.12 H new ATOM 1249 N VAL A 86 16.200 -5.672 12.512 1.00 11.42 N ATOM 1250 CA VAL A 86 16.779 -6.833 11.848 1.00 73.14 C ATOM 1251 C VAL A 86 18.061 -7.280 12.540 1.00 43.00 C ATOM 1252 O VAL A 86 19.007 -6.504 12.680 1.00 71.21 O ATOM 1253 CB VAL A 86 17.084 -6.538 10.367 1.00 74.32 C ATOM 1254 CG1 VAL A 86 17.757 -7.734 9.712 1.00 63.42 C ATOM 1255 CG2 VAL A 86 15.810 -6.162 9.626 1.00 54.32 C ATOM 0 H VAL A 86 16.861 -4.917 12.693 1.00 11.42 H new ATOM 0 HA VAL A 86 16.040 -7.632 11.907 1.00 73.14 H new ATOM 0 HB VAL A 86 17.770 -5.692 10.317 1.00 74.32 H new ATOM 0 HG11 VAL A 86 17.965 -7.507 8.666 1.00 63.42 H new ATOM 0 HG12 VAL A 86 18.692 -7.953 10.228 1.00 63.42 H new ATOM 0 HG13 VAL A 86 17.098 -8.600 9.771 1.00 63.42 H new ATOM 0 HG21 VAL A 86 16.044 -5.957 8.581 1.00 54.32 H new ATOM 0 HG22 VAL A 86 15.099 -6.986 9.684 1.00 54.32 H new ATOM 0 HG23 VAL A 86 15.373 -5.273 10.081 1.00 54.32 H new ATOM 1265 N VAL A 87 18.087 -8.537 12.972 1.00 42.13 N ATOM 1266 CA VAL A 87 19.255 -9.089 13.649 1.00 53.13 C ATOM 1267 C VAL A 87 20.226 -9.709 12.651 1.00 62.31 C ATOM 1268 O VAL A 87 19.858 -10.594 11.878 1.00 63.20 O ATOM 1269 CB VAL A 87 18.851 -10.154 14.686 1.00 51.24 C ATOM 1270 CG1 VAL A 87 20.085 -10.782 15.315 1.00 43.33 C ATOM 1271 CG2 VAL A 87 17.950 -9.546 15.750 1.00 5.32 C ATOM 0 H VAL A 87 17.313 -9.192 12.865 1.00 42.13 H new ATOM 0 HA VAL A 87 19.745 -8.261 14.162 1.00 53.13 H new ATOM 0 HB VAL A 87 18.293 -10.940 14.176 1.00 51.24 H new ATOM 0 HG11 VAL A 87 19.780 -11.532 16.045 1.00 43.33 H new ATOM 0 HG12 VAL A 87 20.688 -11.255 14.540 1.00 43.33 H new ATOM 0 HG13 VAL A 87 20.673 -10.010 15.812 1.00 43.33 H new ATOM 0 HG21 VAL A 87 17.674 -10.312 16.474 1.00 5.32 H new ATOM 0 HG22 VAL A 87 18.480 -8.740 16.258 1.00 5.32 H new ATOM 0 HG23 VAL A 87 17.050 -9.149 15.281 1.00 5.32 H new ATOM 1281 N PHE A 88 21.469 -9.240 12.673 1.00 1.25 N ATOM 1282 CA PHE A 88 22.495 -9.748 11.770 1.00 31.13 C ATOM 1283 C PHE A 88 23.462 -10.668 12.509 1.00 64.31 C ATOM 1284 O PHE A 88 23.736 -10.477 13.694 1.00 53.12 O ATOM 1285 CB PHE A 88 23.263 -8.589 11.132 1.00 13.41 C ATOM 1286 CG PHE A 88 24.698 -8.508 11.567 1.00 20.55 C ATOM 1287 CD1 PHE A 88 25.683 -9.202 10.883 1.00 42.55 C ATOM 1288 CD2 PHE A 88 25.062 -7.740 12.661 1.00 2.21 C ATOM 1289 CE1 PHE A 88 27.004 -9.130 11.282 1.00 64.04 C ATOM 1290 CE2 PHE A 88 26.382 -7.664 13.065 1.00 61.14 C ATOM 1291 CZ PHE A 88 27.355 -8.359 12.373 1.00 35.51 C ATOM 0 H PHE A 88 21.790 -8.508 13.307 1.00 1.25 H new ATOM 0 HA PHE A 88 22.001 -10.322 10.986 1.00 31.13 H new ATOM 0 HB2 PHE A 88 23.226 -8.693 10.048 1.00 13.41 H new ATOM 0 HB3 PHE A 88 22.763 -7.653 11.380 1.00 13.41 H new ATOM 0 HD1 PHE A 88 25.415 -9.806 10.029 1.00 42.55 H new ATOM 0 HD2 PHE A 88 24.305 -7.194 13.205 1.00 2.21 H new ATOM 0 HE1 PHE A 88 27.762 -9.677 10.741 1.00 64.04 H new ATOM 0 HE2 PHE A 88 26.652 -7.062 13.920 1.00 61.14 H new ATOM 0 HZ PHE A 88 28.387 -8.300 12.684 1.00 35.51 H new ATOM 1301 N SER A 89 23.977 -11.668 11.800 1.00 51.12 N ATOM 1302 CA SER A 89 24.911 -12.621 12.388 1.00 35.22 C ATOM 1303 C SER A 89 26.177 -12.732 11.545 1.00 62.00 C ATOM 1304 O SER A 89 26.136 -12.592 10.323 1.00 45.34 O ATOM 1305 CB SER A 89 24.252 -13.995 12.523 1.00 70.52 C ATOM 1306 OG SER A 89 23.843 -14.236 13.858 1.00 73.30 O ATOM 0 H SER A 89 23.763 -11.839 10.817 1.00 51.12 H new ATOM 0 HA SER A 89 25.186 -12.259 13.379 1.00 35.22 H new ATOM 0 HB2 SER A 89 23.390 -14.055 11.859 1.00 70.52 H new ATOM 0 HB3 SER A 89 24.951 -14.770 12.208 1.00 70.52 H new ATOM 0 HG SER A 89 24.542 -13.933 14.474 1.00 73.30 H new ATOM 1312 N ARG A 90 27.301 -12.985 12.208 1.00 42.44 N ATOM 1313 CA ARG A 90 28.581 -13.113 11.520 1.00 34.25 C ATOM 1314 C ARG A 90 29.291 -14.400 11.930 1.00 33.20 C ATOM 1315 O ARG A 90 30.289 -14.368 12.650 1.00 35.25 O ATOM 1316 CB ARG A 90 29.471 -11.907 11.826 1.00 62.42 C ATOM 1317 CG ARG A 90 30.685 -11.801 10.917 1.00 20.12 C ATOM 1318 CD ARG A 90 30.993 -10.354 10.566 1.00 74.04 C ATOM 1319 NE ARG A 90 31.806 -9.703 11.589 1.00 14.13 N ATOM 1320 CZ ARG A 90 32.468 -8.569 11.390 1.00 24.12 C ATOM 1321 NH1 ARG A 90 32.414 -7.964 10.212 1.00 43.12 N ATOM 1322 NH2 ARG A 90 33.187 -8.038 12.371 1.00 31.13 N ATOM 0 H ARG A 90 27.352 -13.105 13.220 1.00 42.44 H new ATOM 0 HA ARG A 90 28.388 -13.150 10.448 1.00 34.25 H new ATOM 0 HB2 ARG A 90 28.879 -10.996 11.735 1.00 62.42 H new ATOM 0 HB3 ARG A 90 29.807 -11.967 12.861 1.00 62.42 H new ATOM 0 HG2 ARG A 90 31.549 -12.249 11.408 1.00 20.12 H new ATOM 0 HG3 ARG A 90 30.508 -12.368 10.003 1.00 20.12 H new ATOM 0 HD2 ARG A 90 31.515 -10.316 9.610 1.00 74.04 H new ATOM 0 HD3 ARG A 90 30.060 -9.805 10.441 1.00 74.04 H new ATOM 0 HE ARG A 90 31.869 -10.143 12.507 1.00 14.13 H new ATOM 0 HH11 ARG A 90 31.863 -8.369 9.455 1.00 43.12 H new ATOM 0 HH12 ARG A 90 32.923 -7.093 10.062 1.00 43.12 H new ATOM 0 HH21 ARG A 90 33.232 -8.501 13.279 1.00 31.13 H new ATOM 0 HH22 ARG A 90 33.695 -7.167 12.217 1.00 31.13 H new ATOM 1336 N ASP A 91 28.769 -15.531 11.467 1.00 42.45 N ATOM 1337 CA ASP A 91 29.353 -16.829 11.784 1.00 41.31 C ATOM 1338 C ASP A 91 29.299 -17.097 13.285 1.00 41.43 C ATOM 1339 O ASP A 91 30.323 -17.351 13.917 1.00 21.14 O ATOM 1340 CB ASP A 91 30.800 -16.895 11.293 1.00 2.52 C ATOM 1341 CG ASP A 91 31.023 -16.076 10.036 1.00 22.55 C ATOM 1342 OD1 ASP A 91 30.231 -16.226 9.082 1.00 24.42 O ATOM 1343 OD2 ASP A 91 31.989 -15.286 10.007 1.00 10.44 O ATOM 0 H ASP A 91 27.942 -15.575 10.871 1.00 42.45 H new ATOM 0 HA ASP A 91 28.770 -17.596 11.275 1.00 41.31 H new ATOM 0 HB2 ASP A 91 31.464 -16.536 12.079 1.00 2.52 H new ATOM 0 HB3 ASP A 91 31.068 -17.934 11.099 1.00 2.52 H new ATOM 1348 N GLY A 92 28.097 -17.036 13.849 1.00 75.11 N ATOM 1349 CA GLY A 92 27.932 -17.273 15.271 1.00 34.11 C ATOM 1350 C GLY A 92 27.785 -15.987 16.060 1.00 62.10 C ATOM 1351 O GLY A 92 27.233 -15.984 17.160 1.00 34.41 O ATOM 0 H GLY A 92 27.234 -16.827 13.347 1.00 75.11 H new ATOM 0 HA2 GLY A 92 27.053 -17.897 15.433 1.00 34.11 H new ATOM 0 HA3 GLY A 92 28.791 -17.829 15.646 1.00 34.11 H new ATOM 1355 N VAL A 93 28.283 -14.890 15.498 1.00 21.02 N ATOM 1356 CA VAL A 93 28.206 -13.591 16.157 1.00 72.44 C ATOM 1357 C VAL A 93 26.761 -13.117 16.269 1.00 62.42 C ATOM 1358 O VAL A 93 26.001 -13.172 15.302 1.00 64.33 O ATOM 1359 CB VAL A 93 29.026 -12.529 15.401 1.00 71.24 C ATOM 1360 CG1 VAL A 93 28.873 -11.167 16.060 1.00 33.12 C ATOM 1361 CG2 VAL A 93 30.490 -12.936 15.333 1.00 61.14 C ATOM 0 H VAL A 93 28.744 -14.875 14.588 1.00 21.02 H new ATOM 0 HA VAL A 93 28.623 -13.717 17.156 1.00 72.44 H new ATOM 0 HB VAL A 93 28.644 -12.458 14.382 1.00 71.24 H new ATOM 0 HG11 VAL A 93 29.460 -10.430 15.512 1.00 33.12 H new ATOM 0 HG12 VAL A 93 27.823 -10.875 16.051 1.00 33.12 H new ATOM 0 HG13 VAL A 93 29.227 -11.219 17.090 1.00 33.12 H new ATOM 0 HG21 VAL A 93 31.055 -12.174 14.795 1.00 61.14 H new ATOM 0 HG22 VAL A 93 30.887 -13.037 16.343 1.00 61.14 H new ATOM 0 HG23 VAL A 93 30.579 -13.889 14.812 1.00 61.14 H new ATOM 1371 N VAL A 94 26.388 -12.651 17.456 1.00 13.21 N ATOM 1372 CA VAL A 94 25.034 -12.165 17.695 1.00 0.13 C ATOM 1373 C VAL A 94 25.029 -10.665 17.967 1.00 14.21 C ATOM 1374 O VAL A 94 25.545 -10.207 18.986 1.00 42.53 O ATOM 1375 CB VAL A 94 24.378 -12.893 18.884 1.00 61.15 C ATOM 1376 CG1 VAL A 94 23.024 -12.279 19.204 1.00 32.54 C ATOM 1377 CG2 VAL A 94 24.243 -14.379 18.588 1.00 33.20 C ATOM 0 H VAL A 94 27.004 -12.600 18.267 1.00 13.21 H new ATOM 0 HA VAL A 94 24.460 -12.370 16.791 1.00 0.13 H new ATOM 0 HB VAL A 94 25.018 -12.777 19.758 1.00 61.15 H new ATOM 0 HG11 VAL A 94 22.575 -12.806 20.046 1.00 32.54 H new ATOM 0 HG12 VAL A 94 23.153 -11.228 19.461 1.00 32.54 H new ATOM 0 HG13 VAL A 94 22.372 -12.363 18.335 1.00 32.54 H new ATOM 0 HG21 VAL A 94 23.778 -14.878 19.438 1.00 33.20 H new ATOM 0 HG22 VAL A 94 23.624 -14.519 17.702 1.00 33.20 H new ATOM 0 HG23 VAL A 94 25.230 -14.806 18.412 1.00 33.20 H new ATOM 1387 N MET A 95 24.440 -9.905 17.049 1.00 4.20 N ATOM 1388 CA MET A 95 24.366 -8.455 17.191 1.00 61.32 C ATOM 1389 C MET A 95 23.049 -7.922 16.636 1.00 1.33 C ATOM 1390 O MET A 95 22.398 -8.575 15.821 1.00 40.21 O ATOM 1391 CB MET A 95 25.542 -7.790 16.473 1.00 60.31 C ATOM 1392 CG MET A 95 25.860 -6.397 16.990 1.00 3.21 C ATOM 1393 SD MET A 95 26.507 -6.411 18.673 1.00 31.41 S ATOM 1394 CE MET A 95 27.336 -4.825 18.731 1.00 44.00 C ATOM 0 H MET A 95 24.007 -10.269 16.200 1.00 4.20 H new ATOM 0 HA MET A 95 24.416 -8.215 18.253 1.00 61.32 H new ATOM 0 HB2 MET A 95 26.426 -8.419 16.581 1.00 60.31 H new ATOM 0 HB3 MET A 95 25.320 -7.731 15.407 1.00 60.31 H new ATOM 0 HG2 MET A 95 26.588 -5.926 16.329 1.00 3.21 H new ATOM 0 HG3 MET A 95 24.957 -5.787 16.957 1.00 3.21 H new ATOM 0 HE1 MET A 95 27.788 -4.686 19.713 1.00 44.00 H new ATOM 0 HE2 MET A 95 28.112 -4.792 17.966 1.00 44.00 H new ATOM 0 HE3 MET A 95 26.613 -4.030 18.549 1.00 44.00 H new ATOM 1404 N SER A 96 22.663 -6.731 17.084 1.00 35.40 N ATOM 1405 CA SER A 96 21.421 -6.112 16.635 1.00 32.23 C ATOM 1406 C SER A 96 21.702 -4.818 15.879 1.00 51.52 C ATOM 1407 O SER A 96 22.455 -3.964 16.346 1.00 40.21 O ATOM 1408 CB SER A 96 20.506 -5.830 17.829 1.00 63.50 C ATOM 1409 OG SER A 96 20.988 -4.740 18.595 1.00 45.13 O ATOM 0 H SER A 96 23.192 -6.176 17.757 1.00 35.40 H new ATOM 0 HA SER A 96 20.921 -6.806 15.959 1.00 32.23 H new ATOM 0 HB2 SER A 96 19.498 -5.612 17.475 1.00 63.50 H new ATOM 0 HB3 SER A 96 20.439 -6.718 18.457 1.00 63.50 H new ATOM 0 HG SER A 96 20.385 -4.579 19.351 1.00 45.13 H new ATOM 1415 N ALA A 97 21.090 -4.680 14.707 1.00 43.21 N ATOM 1416 CA ALA A 97 21.272 -3.489 13.886 1.00 62.44 C ATOM 1417 C ALA A 97 19.966 -3.083 13.211 1.00 3.24 C ATOM 1418 O ALA A 97 19.199 -3.932 12.756 1.00 43.11 O ATOM 1419 CB ALA A 97 22.355 -3.728 12.843 1.00 13.32 C ATOM 0 H ALA A 97 20.464 -5.378 14.305 1.00 43.21 H new ATOM 0 HA ALA A 97 21.583 -2.672 14.537 1.00 62.44 H new ATOM 0 HB1 ALA A 97 22.481 -2.831 12.237 1.00 13.32 H new ATOM 0 HB2 ALA A 97 23.295 -3.963 13.342 1.00 13.32 H new ATOM 0 HB3 ALA A 97 22.066 -4.561 12.202 1.00 13.32 H new ATOM 1425 N THR A 98 19.718 -1.778 13.151 1.00 32.11 N ATOM 1426 CA THR A 98 18.504 -1.259 12.534 1.00 34.03 C ATOM 1427 C THR A 98 18.741 -0.895 11.073 1.00 24.41 C ATOM 1428 O THR A 98 19.662 -0.142 10.753 1.00 34.32 O ATOM 1429 CB THR A 98 17.980 -0.018 13.282 1.00 62.03 C ATOM 1430 OG1 THR A 98 17.700 -0.350 14.646 1.00 33.01 O ATOM 1431 CG2 THR A 98 16.723 0.523 12.618 1.00 43.54 C ATOM 0 H THR A 98 20.342 -1.062 13.522 1.00 32.11 H new ATOM 0 HA THR A 98 17.757 -2.051 12.591 1.00 34.03 H new ATOM 0 HB THR A 98 18.750 0.752 13.247 1.00 62.03 H new ATOM 0 HG1 THR A 98 17.369 0.444 15.115 1.00 33.01 H new ATOM 0 HG21 THR A 98 16.371 1.399 13.163 1.00 43.54 H new ATOM 0 HG22 THR A 98 16.947 0.802 11.588 1.00 43.54 H new ATOM 0 HG23 THR A 98 15.949 -0.244 12.626 1.00 43.54 H new ATOM 1439 N ILE A 99 17.906 -1.434 10.191 1.00 45.11 N ATOM 1440 CA ILE A 99 18.026 -1.164 8.764 1.00 53.15 C ATOM 1441 C ILE A 99 17.015 -0.114 8.316 1.00 15.34 C ATOM 1442 O ILE A 99 15.815 -0.250 8.556 1.00 53.21 O ATOM 1443 CB ILE A 99 17.823 -2.443 7.930 1.00 44.23 C ATOM 1444 CG1 ILE A 99 16.419 -3.007 8.154 1.00 51.13 C ATOM 1445 CG2 ILE A 99 18.879 -3.479 8.285 1.00 61.12 C ATOM 1446 CD1 ILE A 99 15.454 -2.689 7.033 1.00 62.23 C ATOM 0 H ILE A 99 17.140 -2.060 10.439 1.00 45.11 H new ATOM 0 HA ILE A 99 19.035 -0.788 8.598 1.00 53.15 H new ATOM 0 HB ILE A 99 17.928 -2.192 6.875 1.00 44.23 H new ATOM 0 HG12 ILE A 99 16.485 -4.089 8.270 1.00 51.13 H new ATOM 0 HG13 ILE A 99 16.022 -2.610 9.088 1.00 51.13 H new ATOM 0 HG21 ILE A 99 18.723 -4.377 7.688 1.00 61.12 H new ATOM 0 HG22 ILE A 99 19.870 -3.074 8.079 1.00 61.12 H new ATOM 0 HG23 ILE A 99 18.802 -3.729 9.343 1.00 61.12 H new ATOM 0 HD11 ILE A 99 14.479 -3.120 7.259 1.00 62.23 H new ATOM 0 HD12 ILE A 99 15.358 -1.608 6.931 1.00 62.23 H new ATOM 0 HD13 ILE A 99 15.829 -3.110 6.100 1.00 62.23 H new ATOM 1458 N VAL A 100 17.507 0.934 7.663 1.00 2.13 N ATOM 1459 CA VAL A 100 16.647 2.007 7.179 1.00 33.12 C ATOM 1460 C VAL A 100 16.442 1.910 5.672 1.00 65.34 C ATOM 1461 O VAL A 100 17.264 2.391 4.891 1.00 74.14 O ATOM 1462 CB VAL A 100 17.230 3.391 7.519 1.00 3.20 C ATOM 1463 CG1 VAL A 100 17.038 3.705 8.995 1.00 75.51 C ATOM 1464 CG2 VAL A 100 18.702 3.456 7.140 1.00 40.15 C ATOM 0 H VAL A 100 18.498 1.063 7.457 1.00 2.13 H new ATOM 0 HA VAL A 100 15.686 1.893 7.681 1.00 33.12 H new ATOM 0 HB VAL A 100 16.694 4.143 6.940 1.00 3.20 H new ATOM 0 HG11 VAL A 100 17.456 4.687 9.216 1.00 75.51 H new ATOM 0 HG12 VAL A 100 15.974 3.702 9.232 1.00 75.51 H new ATOM 0 HG13 VAL A 100 17.546 2.951 9.596 1.00 75.51 H new ATOM 0 HG21 VAL A 100 19.098 4.441 7.387 1.00 40.15 H new ATOM 0 HG22 VAL A 100 19.254 2.694 7.691 1.00 40.15 H new ATOM 0 HG23 VAL A 100 18.810 3.279 6.070 1.00 40.15 H new ATOM 1474 N VAL A 101 15.341 1.284 5.268 1.00 2.01 N ATOM 1475 CA VAL A 101 15.027 1.125 3.853 1.00 23.32 C ATOM 1476 C VAL A 101 14.243 2.321 3.326 1.00 0.12 C ATOM 1477 O VAL A 101 13.088 2.531 3.695 1.00 61.44 O ATOM 1478 CB VAL A 101 14.216 -0.159 3.600 1.00 75.54 C ATOM 1479 CG1 VAL A 101 13.672 -0.176 2.179 1.00 10.11 C ATOM 1480 CG2 VAL A 101 15.069 -1.390 3.867 1.00 33.10 C ATOM 0 H VAL A 101 14.651 0.879 5.901 1.00 2.01 H new ATOM 0 HA VAL A 101 15.977 1.056 3.323 1.00 23.32 H new ATOM 0 HB VAL A 101 13.371 -0.175 4.288 1.00 75.54 H new ATOM 0 HG11 VAL A 101 13.102 -1.091 2.019 1.00 10.11 H new ATOM 0 HG12 VAL A 101 13.024 0.687 2.027 1.00 10.11 H new ATOM 0 HG13 VAL A 101 14.500 -0.136 1.472 1.00 10.11 H new ATOM 0 HG21 VAL A 101 14.479 -2.288 3.683 1.00 33.10 H new ATOM 0 HG22 VAL A 101 15.935 -1.383 3.205 1.00 33.10 H new ATOM 0 HG23 VAL A 101 15.404 -1.382 4.904 1.00 33.10 H new ATOM 1490 N GLY A 102 14.879 3.104 2.460 1.00 3.11 N ATOM 1491 CA GLY A 102 14.226 4.270 1.896 1.00 52.45 C ATOM 1492 C GLY A 102 13.706 4.022 0.493 1.00 23.14 C ATOM 1493 O GLY A 102 14.312 4.457 -0.485 1.00 60.24 O ATOM 0 H GLY A 102 15.835 2.951 2.139 1.00 3.11 H new ATOM 0 HA2 GLY A 102 13.398 4.566 2.540 1.00 52.45 H new ATOM 0 HA3 GLY A 102 14.929 5.103 1.878 1.00 52.45 H new ATOM 1497 N GLU A 103 12.582 3.319 0.396 1.00 21.03 N ATOM 1498 CA GLU A 103 11.984 3.012 -0.897 1.00 75.53 C ATOM 1499 C GLU A 103 10.960 4.074 -1.290 1.00 25.43 C ATOM 1500 O GLU A 103 10.122 3.851 -2.164 1.00 42.45 O ATOM 1501 CB GLU A 103 11.317 1.635 -0.862 1.00 23.54 C ATOM 1502 CG GLU A 103 12.255 0.495 -1.224 1.00 1.15 C ATOM 1503 CD GLU A 103 12.028 -0.740 -0.373 1.00 50.24 C ATOM 1504 OE1 GLU A 103 10.919 -0.883 0.182 1.00 11.43 O ATOM 1505 OE2 GLU A 103 12.960 -1.564 -0.264 1.00 42.23 O ATOM 0 H GLU A 103 12.068 2.952 1.197 1.00 21.03 H new ATOM 0 HA GLU A 103 12.779 3.005 -1.643 1.00 75.53 H new ATOM 0 HB2 GLU A 103 10.915 1.461 0.136 1.00 23.54 H new ATOM 0 HB3 GLU A 103 10.472 1.632 -1.551 1.00 23.54 H new ATOM 0 HG2 GLU A 103 12.120 0.238 -2.275 1.00 1.15 H new ATOM 0 HG3 GLU A 103 13.287 0.827 -1.108 1.00 1.15 H new ATOM 1512 N LEU A 104 11.035 5.228 -0.636 1.00 71.15 N ATOM 1513 CA LEU A 104 10.116 6.326 -0.916 1.00 34.34 C ATOM 1514 C LEU A 104 10.825 7.672 -0.804 1.00 74.50 C ATOM 1515 O LEU A 104 10.198 8.692 -0.522 1.00 32.05 O ATOM 1516 CB LEU A 104 8.928 6.280 0.048 1.00 44.30 C ATOM 1517 CG LEU A 104 7.542 6.358 -0.591 1.00 54.44 C ATOM 1518 CD1 LEU A 104 7.332 7.714 -1.247 1.00 53.31 C ATOM 1519 CD2 LEU A 104 7.358 5.239 -1.606 1.00 3.11 C ATOM 0 H LEU A 104 11.722 5.428 0.091 1.00 71.15 H new ATOM 0 HA LEU A 104 9.753 6.212 -1.937 1.00 34.34 H new ATOM 0 HB2 LEU A 104 8.989 5.357 0.624 1.00 44.30 H new ATOM 0 HB3 LEU A 104 9.027 7.104 0.755 1.00 44.30 H new ATOM 0 HG LEU A 104 6.795 6.237 0.193 1.00 54.44 H new ATOM 0 HD11 LEU A 104 6.340 7.751 -1.697 1.00 53.31 H new ATOM 0 HD12 LEU A 104 7.419 8.499 -0.496 1.00 53.31 H new ATOM 0 HD13 LEU A 104 8.086 7.865 -2.019 1.00 53.31 H new ATOM 0 HD21 LEU A 104 6.365 5.311 -2.051 1.00 3.11 H new ATOM 0 HD22 LEU A 104 8.113 5.329 -2.387 1.00 3.11 H new ATOM 0 HD23 LEU A 104 7.464 4.275 -1.108 1.00 3.11 H new ATOM 1531 N GLU A 105 12.135 7.665 -1.030 1.00 13.11 N ATOM 1532 CA GLU A 105 12.928 8.886 -0.956 1.00 10.32 C ATOM 1533 C GLU A 105 13.730 9.093 -2.237 1.00 61.44 C ATOM 1534 O GLU A 105 13.288 9.786 -3.153 1.00 31.40 O ATOM 1535 CB GLU A 105 13.872 8.835 0.247 1.00 2.32 C ATOM 1536 CG GLU A 105 13.728 10.022 1.185 1.00 13.11 C ATOM 1537 CD GLU A 105 14.446 9.814 2.504 1.00 35.24 C ATOM 1538 OE1 GLU A 105 15.685 9.663 2.489 1.00 71.52 O ATOM 1539 OE2 GLU A 105 13.767 9.802 3.553 1.00 51.31 O ATOM 0 H GLU A 105 12.669 6.828 -1.266 1.00 13.11 H new ATOM 0 HA GLU A 105 12.244 9.726 -0.837 1.00 10.32 H new ATOM 0 HB2 GLU A 105 13.686 7.917 0.805 1.00 2.32 H new ATOM 0 HB3 GLU A 105 14.901 8.788 -0.111 1.00 2.32 H new ATOM 0 HG2 GLU A 105 14.121 10.915 0.698 1.00 13.11 H new ATOM 0 HG3 GLU A 105 12.670 10.203 1.376 1.00 13.11 H new TER 1546 GLU A 105