USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 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= -0.159 X(o=-0.19,f=-0.014) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.0278 X(o=-0.19,f=-0.014) USER MOD Set 2.1: A 9 MET CE :methyl 180:sc= -0.251 (180deg=-0.251) USER MOD Set 2.2: A 11 THR OG1 : rot -62:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.119 (180deg=-0.191) USER MOD Single : A 3 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A 4 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=-0.41) USER MOD Single : A 5 HIS :FLIP no HE2:sc= -0.0374 F(o=-1.1,f=-0.037) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 7 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-3.9!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 15 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.67) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.519 K(o=-0.52,f=-8.9!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 33 ASN : amide:sc= -0.352 K(o=-0.35,f=-1) USER MOD Single : A 36 GLN : amide:sc= 0.495 K(o=0.49,f=-1.1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.772 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -172:sc= 0 (180deg=-0.0332) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00579 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0209 (180deg=-0.237) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 62 CYS SG : rot 100:sc= -5.38! USER MOD Single : A 68 GLN : amide:sc= -0.733 K(o=-0.73,f=-4.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -22:sc= 0.23 USER MOD Single : A 81 HIS : no HD1:sc= 0.861 K(o=0.86,f=-2.6!) USER MOD Single : A 83 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.3) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 85 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-8.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.501 -11.790 -23.693 1.00 73.22 N ATOM 2 CA MET A 1 -14.646 -10.614 -24.002 1.00 15.13 C ATOM 3 C MET A 1 -13.454 -10.538 -23.048 1.00 45.32 C ATOM 4 O MET A 1 -12.475 -9.840 -23.317 1.00 32.32 O ATOM 5 CB MET A 1 -15.461 -9.311 -23.944 1.00 22.50 C ATOM 6 CG MET A 1 -16.463 -9.161 -25.079 1.00 70.23 C ATOM 7 SD MET A 1 -17.313 -7.568 -25.058 1.00 24.24 S ATOM 8 CE MET A 1 -18.322 -7.699 -26.537 1.00 64.32 C ATOM 0 H1 MET A 1 -16.213 -11.908 -24.442 1.00 73.22 H new ATOM 0 H2 MET A 1 -14.910 -12.644 -23.639 1.00 73.22 H new ATOM 0 H3 MET A 1 -15.979 -11.642 -22.781 1.00 73.22 H new ATOM 0 HA MET A 1 -14.267 -10.737 -25.016 1.00 15.13 H new ATOM 0 HB2 MET A 1 -15.994 -9.269 -22.994 1.00 22.50 H new ATOM 0 HB3 MET A 1 -14.775 -8.464 -23.963 1.00 22.50 H new ATOM 0 HG2 MET A 1 -15.946 -9.279 -26.031 1.00 70.23 H new ATOM 0 HG3 MET A 1 -17.200 -9.962 -25.015 1.00 70.23 H new ATOM 0 HE1 MET A 1 -18.907 -6.788 -26.660 1.00 64.32 H new ATOM 0 HE2 MET A 1 -17.678 -7.837 -27.406 1.00 64.32 H new ATOM 0 HE3 MET A 1 -18.994 -8.552 -26.444 1.00 64.32 H new ATOM 20 N ALA A 2 -13.535 -11.255 -21.928 1.00 54.21 N ATOM 21 CA ALA A 2 -12.433 -11.320 -20.974 1.00 14.23 C ATOM 22 C ALA A 2 -11.511 -12.486 -21.314 1.00 44.12 C ATOM 23 O ALA A 2 -11.960 -13.505 -21.845 1.00 53.24 O ATOM 24 CB ALA A 2 -12.970 -11.459 -19.553 1.00 73.44 C ATOM 0 H ALA A 2 -14.355 -11.800 -21.660 1.00 54.21 H new ATOM 0 HA ALA A 2 -11.860 -10.395 -21.036 1.00 14.23 H new ATOM 0 HB1 ALA A 2 -12.137 -11.506 -18.852 1.00 73.44 H new ATOM 0 HB2 ALA A 2 -13.596 -10.599 -19.315 1.00 73.44 H new ATOM 0 HB3 ALA A 2 -13.562 -12.371 -19.475 1.00 73.44 H new ATOM 30 N HIS A 3 -10.224 -12.331 -21.017 1.00 41.44 N ATOM 31 CA HIS A 3 -9.238 -13.386 -21.267 1.00 1.43 C ATOM 32 C HIS A 3 -8.547 -13.773 -19.957 1.00 4.31 C ATOM 33 O HIS A 3 -7.546 -14.493 -19.951 1.00 2.31 O ATOM 34 CB HIS A 3 -8.214 -12.914 -22.313 1.00 5.12 C ATOM 35 CG HIS A 3 -7.310 -14.002 -22.817 1.00 63.14 C ATOM 36 ND1 HIS A 3 -5.957 -13.832 -23.018 1.00 24.54 N ATOM 37 CD2 HIS A 3 -7.581 -15.278 -23.180 1.00 72.24 C ATOM 38 CE1 HIS A 3 -5.439 -14.954 -23.481 1.00 45.21 C ATOM 39 NE2 HIS A 3 -6.403 -15.848 -23.590 1.00 10.03 N ATOM 0 H HIS A 3 -9.836 -11.484 -20.602 1.00 41.44 H new ATOM 0 HA HIS A 3 -9.744 -14.267 -21.661 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -8.747 -12.479 -23.158 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -7.605 -12.122 -21.878 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -8.548 -15.759 -23.152 1.00 72.24 H new ATOM 0 HE1 HIS A 3 -4.400 -15.114 -23.729 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -6.291 -16.805 -23.924 1.00 10.03 H new ATOM 48 N HIS A 4 -9.096 -13.286 -18.848 1.00 40.34 N ATOM 49 CA HIS A 4 -8.575 -13.594 -17.517 1.00 51.01 C ATOM 50 C HIS A 4 -8.935 -15.022 -17.111 1.00 53.23 C ATOM 51 O HIS A 4 -10.096 -15.320 -16.821 1.00 0.34 O ATOM 52 CB HIS A 4 -9.130 -12.603 -16.483 1.00 50.20 C ATOM 53 CG HIS A 4 -8.736 -12.922 -15.071 1.00 33.32 C ATOM 54 ND1 HIS A 4 -9.464 -13.765 -14.261 1.00 30.31 N ATOM 55 CD2 HIS A 4 -7.682 -12.509 -14.324 1.00 2.31 C ATOM 56 CE1 HIS A 4 -8.882 -13.857 -13.083 1.00 13.25 C ATOM 57 NE2 HIS A 4 -7.799 -13.106 -13.092 1.00 22.43 N ATOM 0 H HIS A 4 -9.909 -12.671 -18.844 1.00 40.34 H new ATOM 0 HA HIS A 4 -7.489 -13.504 -17.550 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -8.782 -11.600 -16.730 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -10.218 -12.589 -16.553 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -6.898 -11.837 -14.639 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -9.233 -14.448 -12.250 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -7.153 -12.987 -12.312 1.00 22.43 H new ATOM 66 N HIS A 5 -7.936 -15.899 -17.099 1.00 52.40 N ATOM 67 CA HIS A 5 -8.124 -17.283 -16.660 1.00 51.23 C ATOM 68 C HIS A 5 -7.733 -17.430 -15.192 1.00 25.42 C ATOM 69 O HIS A 5 -6.965 -16.620 -14.666 1.00 52.12 O ATOM 70 CB HIS A 5 -7.308 -18.256 -17.534 1.00 11.32 C ATOM 71 CG HIS A 5 -5.836 -17.948 -17.624 1.00 24.41 C ATOM 72 ND1 HIS A 5 -4.946 -17.530 -16.688 1.00 1.43 N flip ATOM 73 CD2 HIS A 5 -5.116 -18.069 -18.795 1.00 64.02 C flip ATOM 74 CE1 HIS A 5 -3.728 -17.407 -17.305 1.00 33.02 C flip ATOM 75 NE2 HIS A 5 -3.857 -17.739 -18.575 1.00 22.00 N flip ATOM 0 H HIS A 5 -6.984 -15.677 -17.389 1.00 52.40 H new ATOM 0 HA HIS A 5 -9.179 -17.534 -16.770 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -7.430 -19.265 -17.139 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -7.726 -18.255 -18.540 1.00 11.32 H new ATOM 0 HD1 HIS A 5 -5.147 -17.342 -15.706 1.00 1.43 H new ATOM 0 HD2 HIS A 5 -5.520 -18.385 -19.745 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -2.812 -17.090 -16.829 1.00 33.02 H new ATOM 84 N HIS A 6 -8.261 -18.460 -14.542 1.00 34.21 N ATOM 85 CA HIS A 6 -7.959 -18.738 -13.141 1.00 74.21 C ATOM 86 C HIS A 6 -8.579 -20.072 -12.729 1.00 71.31 C ATOM 87 O HIS A 6 -9.696 -20.114 -12.214 1.00 5.52 O ATOM 88 CB HIS A 6 -8.479 -17.607 -12.239 1.00 64.32 C ATOM 89 CG HIS A 6 -8.117 -17.767 -10.794 1.00 13.35 C ATOM 90 ND1 HIS A 6 -9.012 -18.193 -9.838 1.00 0.10 N ATOM 91 CD2 HIS A 6 -6.951 -17.543 -10.142 1.00 40.24 C ATOM 92 CE1 HIS A 6 -8.414 -18.223 -8.663 1.00 55.12 C ATOM 93 NE2 HIS A 6 -7.163 -17.834 -8.819 1.00 52.24 N ATOM 0 H HIS A 6 -8.908 -19.124 -14.968 1.00 34.21 H new ATOM 0 HA HIS A 6 -6.877 -18.798 -13.024 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -8.083 -16.657 -12.599 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -9.564 -17.555 -12.328 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -6.027 -17.199 -10.582 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -8.871 -18.517 -7.730 1.00 55.12 H new ATOM 0 HE2 HIS A 6 -6.467 -17.762 -8.077 1.00 52.24 H new ATOM 102 N HIS A 7 -7.862 -21.163 -12.986 1.00 31.13 N ATOM 103 CA HIS A 7 -8.382 -22.508 -12.710 1.00 13.43 C ATOM 104 C HIS A 7 -8.223 -22.889 -11.234 1.00 13.23 C ATOM 105 O HIS A 7 -7.275 -23.573 -10.853 1.00 24.42 O ATOM 106 CB HIS A 7 -7.723 -23.565 -13.622 1.00 45.10 C ATOM 107 CG HIS A 7 -6.222 -23.639 -13.529 1.00 22.34 C ATOM 108 ND1 HIS A 7 -5.560 -24.301 -12.521 1.00 12.53 N ATOM 109 CD2 HIS A 7 -5.259 -23.132 -14.331 1.00 21.41 C ATOM 110 CE1 HIS A 7 -4.260 -24.197 -12.705 1.00 22.12 C ATOM 111 NE2 HIS A 7 -4.047 -23.493 -13.798 1.00 52.52 N ATOM 0 H HIS A 7 -6.923 -21.147 -13.383 1.00 31.13 H new ATOM 0 HA HIS A 7 -9.449 -22.487 -12.932 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -8.136 -24.543 -13.376 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -7.998 -23.354 -14.655 1.00 45.10 H new ATOM 0 HD1 HIS A 7 -6.007 -24.796 -11.750 1.00 12.53 H new ATOM 0 HD2 HIS A 7 -5.415 -22.550 -15.227 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -3.497 -24.618 -12.067 1.00 22.12 H new ATOM 120 N HIS A 8 -9.150 -22.413 -10.406 1.00 52.21 N ATOM 121 CA HIS A 8 -9.195 -22.775 -8.989 1.00 10.20 C ATOM 122 C HIS A 8 -10.353 -22.061 -8.299 1.00 44.12 C ATOM 123 O HIS A 8 -10.221 -20.907 -7.885 1.00 2.14 O ATOM 124 CB HIS A 8 -7.881 -22.436 -8.268 1.00 2.10 C ATOM 125 CG HIS A 8 -7.838 -22.943 -6.857 1.00 65.54 C ATOM 126 ND1 HIS A 8 -8.180 -22.171 -5.766 1.00 13.43 N ATOM 127 CD2 HIS A 8 -7.498 -24.158 -6.362 1.00 64.25 C ATOM 128 CE1 HIS A 8 -8.049 -22.888 -4.664 1.00 71.44 C ATOM 129 NE2 HIS A 8 -7.638 -24.096 -4.997 1.00 64.15 N ATOM 0 H HIS A 8 -9.887 -21.770 -10.694 1.00 52.21 H new ATOM 0 HA HIS A 8 -9.341 -23.854 -8.935 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -7.047 -22.861 -8.826 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -7.744 -21.355 -8.264 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -7.177 -25.016 -6.934 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -8.245 -22.543 -3.660 1.00 71.44 H new ATOM 0 HE2 HIS A 8 -7.454 -24.860 -4.347 1.00 64.15 H new ATOM 138 N MET A 9 -11.478 -22.755 -8.181 1.00 12.25 N ATOM 139 CA MET A 9 -12.678 -22.192 -7.574 1.00 2.23 C ATOM 140 C MET A 9 -12.535 -22.197 -6.052 1.00 52.43 C ATOM 141 O MET A 9 -12.843 -21.207 -5.379 1.00 54.21 O ATOM 142 CB MET A 9 -13.911 -23.001 -8.018 1.00 51.52 C ATOM 143 CG MET A 9 -15.255 -22.361 -7.679 1.00 71.54 C ATOM 144 SD MET A 9 -15.579 -22.278 -5.908 1.00 31.53 S ATOM 145 CE MET A 9 -17.284 -21.723 -5.907 1.00 44.51 C ATOM 0 H MET A 9 -11.585 -23.718 -8.501 1.00 12.25 H new ATOM 0 HA MET A 9 -12.809 -21.161 -7.902 1.00 2.23 H new ATOM 0 HB2 MET A 9 -13.859 -23.153 -9.096 1.00 51.52 H new ATOM 0 HB3 MET A 9 -13.867 -23.987 -7.555 1.00 51.52 H new ATOM 0 HG2 MET A 9 -15.285 -21.354 -8.094 1.00 71.54 H new ATOM 0 HG3 MET A 9 -16.051 -22.928 -8.161 1.00 71.54 H new ATOM 0 HE1 MET A 9 -17.633 -21.622 -4.879 1.00 44.51 H new ATOM 0 HE2 MET A 9 -17.353 -20.758 -6.410 1.00 44.51 H new ATOM 0 HE3 MET A 9 -17.904 -22.450 -6.431 1.00 44.51 H new ATOM 155 N GLY A 10 -12.033 -23.314 -5.523 1.00 33.52 N ATOM 156 CA GLY A 10 -11.835 -23.454 -4.090 1.00 73.32 C ATOM 157 C GLY A 10 -13.138 -23.385 -3.318 1.00 21.22 C ATOM 158 O GLY A 10 -13.428 -22.377 -2.678 1.00 31.32 O ATOM 0 H GLY A 10 -11.758 -24.130 -6.069 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -11.344 -24.405 -3.885 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -11.166 -22.668 -3.740 1.00 73.32 H new ATOM 162 N THR A 11 -13.920 -24.457 -3.380 1.00 23.20 N ATOM 163 CA THR A 11 -15.231 -24.487 -2.745 1.00 64.11 C ATOM 164 C THR A 11 -15.150 -25.063 -1.325 1.00 2.14 C ATOM 165 O THR A 11 -14.976 -24.324 -0.357 1.00 24.42 O ATOM 166 CB THR A 11 -16.231 -25.310 -3.588 1.00 61.21 C ATOM 167 OG1 THR A 11 -16.089 -24.964 -4.973 1.00 21.55 O ATOM 168 CG2 THR A 11 -17.673 -25.063 -3.144 1.00 2.40 C ATOM 0 H THR A 11 -13.667 -25.318 -3.865 1.00 23.20 H new ATOM 0 HA THR A 11 -15.585 -23.458 -2.680 1.00 64.11 H new ATOM 0 HB THR A 11 -16.008 -26.367 -3.442 1.00 61.21 H new ATOM 0 HG1 THR A 11 -16.304 -24.016 -5.097 1.00 21.55 H new ATOM 0 HG21 THR A 11 -18.350 -25.657 -3.758 1.00 2.40 H new ATOM 0 HG22 THR A 11 -17.786 -25.349 -2.098 1.00 2.40 H new ATOM 0 HG23 THR A 11 -17.913 -24.006 -3.259 1.00 2.40 H new ATOM 176 N LEU A 12 -15.238 -26.391 -1.207 1.00 10.11 N ATOM 177 CA LEU A 12 -15.288 -27.049 0.098 1.00 62.34 C ATOM 178 C LEU A 12 -14.226 -28.142 0.190 1.00 50.51 C ATOM 179 O LEU A 12 -13.516 -28.417 -0.783 1.00 4.12 O ATOM 180 CB LEU A 12 -16.682 -27.649 0.344 1.00 73.43 C ATOM 181 CG LEU A 12 -17.842 -26.638 0.381 1.00 43.20 C ATOM 182 CD1 LEU A 12 -19.175 -27.348 0.595 1.00 34.05 C ATOM 183 CD2 LEU A 12 -17.613 -25.590 1.466 1.00 2.42 C ATOM 0 H LEU A 12 -15.276 -27.030 -2.001 1.00 10.11 H new ATOM 0 HA LEU A 12 -15.086 -26.301 0.864 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -16.886 -28.381 -0.437 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -16.664 -28.189 1.290 1.00 73.43 H new ATOM 0 HG LEU A 12 -17.877 -26.131 -0.583 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -19.979 -26.613 0.618 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -19.348 -28.050 -0.220 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -19.151 -27.889 1.541 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -18.445 -24.886 1.474 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -17.544 -26.081 2.437 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -16.686 -25.053 1.264 1.00 2.42 H new ATOM 195 N GLU A 13 -14.128 -28.759 1.366 1.00 11.24 N ATOM 196 CA GLU A 13 -13.130 -29.791 1.627 1.00 2.42 C ATOM 197 C GLU A 13 -13.473 -30.562 2.903 1.00 25.54 C ATOM 198 O GLU A 13 -14.581 -30.427 3.434 1.00 43.43 O ATOM 199 CB GLU A 13 -11.735 -29.149 1.718 1.00 52.23 C ATOM 200 CG GLU A 13 -11.688 -27.877 2.563 1.00 2.02 C ATOM 201 CD GLU A 13 -10.398 -27.100 2.361 1.00 23.10 C ATOM 202 OE1 GLU A 13 -10.264 -26.434 1.312 1.00 31.04 O ATOM 203 OE2 GLU A 13 -9.517 -27.137 3.240 1.00 20.54 O ATOM 0 H GLU A 13 -14.736 -28.558 2.160 1.00 11.24 H new ATOM 0 HA GLU A 13 -13.128 -30.506 0.804 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -11.039 -29.876 2.136 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -11.387 -28.917 0.711 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -12.536 -27.242 2.308 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -11.791 -28.139 3.616 1.00 2.02 H new ATOM 210 N ALA A 14 -12.530 -31.380 3.371 1.00 34.40 N ATOM 211 CA ALA A 14 -12.727 -32.207 4.560 1.00 21.23 C ATOM 212 C ALA A 14 -12.782 -31.356 5.829 1.00 55.24 C ATOM 213 O ALA A 14 -12.828 -30.129 5.759 1.00 61.00 O ATOM 214 CB ALA A 14 -11.612 -33.246 4.661 1.00 34.11 C ATOM 0 H ALA A 14 -11.613 -31.487 2.938 1.00 34.40 H new ATOM 0 HA ALA A 14 -13.685 -32.718 4.464 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -11.765 -33.859 5.549 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -11.625 -33.881 3.775 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -10.649 -32.740 4.731 1.00 34.11 H new ATOM 220 N GLN A 15 -12.805 -32.023 6.981 1.00 62.31 N ATOM 221 CA GLN A 15 -12.816 -31.348 8.277 1.00 61.21 C ATOM 222 C GLN A 15 -11.808 -31.999 9.218 1.00 41.33 C ATOM 223 O GLN A 15 -12.026 -33.119 9.693 1.00 55.20 O ATOM 224 CB GLN A 15 -14.214 -31.413 8.908 1.00 32.53 C ATOM 225 CG GLN A 15 -15.320 -30.834 8.036 1.00 2.10 C ATOM 226 CD GLN A 15 -16.707 -31.075 8.603 1.00 32.43 C ATOM 227 OE1 GLN A 15 -16.890 -31.188 9.816 1.00 73.03 O ATOM 228 NE2 GLN A 15 -17.697 -31.148 7.728 1.00 54.22 N ATOM 0 H GLN A 15 -12.816 -33.041 7.043 1.00 62.31 H new ATOM 0 HA GLN A 15 -12.545 -30.304 8.119 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -14.451 -32.453 9.133 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -14.197 -30.877 9.857 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -15.161 -29.762 7.921 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -15.259 -31.274 7.041 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -17.505 -31.049 6.731 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -18.652 -31.303 8.050 1.00 54.22 H new ATOM 237 N THR A 16 -10.696 -31.320 9.466 1.00 54.24 N ATOM 238 CA THR A 16 -9.723 -31.794 10.436 1.00 21.43 C ATOM 239 C THR A 16 -10.021 -31.177 11.804 1.00 75.24 C ATOM 240 O THR A 16 -9.914 -31.857 12.825 1.00 55.04 O ATOM 241 CB THR A 16 -8.263 -31.482 9.998 1.00 2.14 C ATOM 242 OG1 THR A 16 -7.335 -32.208 10.821 1.00 30.03 O ATOM 243 CG2 THR A 16 -7.944 -29.992 10.070 1.00 42.53 C ATOM 0 H THR A 16 -10.447 -30.442 9.010 1.00 54.24 H new ATOM 0 HA THR A 16 -9.809 -32.879 10.500 1.00 21.43 H new ATOM 0 HB THR A 16 -8.167 -31.795 8.958 1.00 2.14 H new ATOM 0 HG1 THR A 16 -6.419 -32.007 10.537 1.00 30.03 H new ATOM 0 HG21 THR A 16 -6.914 -29.825 9.755 1.00 42.53 H new ATOM 0 HG22 THR A 16 -8.618 -29.443 9.412 1.00 42.53 H new ATOM 0 HG23 THR A 16 -8.071 -29.642 11.094 1.00 42.53 H new ATOM 251 N GLN A 17 -10.435 -29.897 11.790 1.00 13.34 N ATOM 252 CA GLN A 17 -10.777 -29.125 13.001 1.00 34.33 C ATOM 253 C GLN A 17 -9.855 -29.435 14.192 1.00 53.31 C ATOM 254 O GLN A 17 -8.894 -28.708 14.456 1.00 40.31 O ATOM 255 CB GLN A 17 -12.255 -29.358 13.383 1.00 1.43 C ATOM 256 CG GLN A 17 -12.691 -28.727 14.710 1.00 44.23 C ATOM 257 CD GLN A 17 -12.680 -27.201 14.714 1.00 62.21 C ATOM 258 OE1 GLN A 17 -11.885 -26.555 14.031 1.00 74.11 O ATOM 259 NE2 GLN A 17 -13.568 -26.612 15.496 1.00 32.34 N ATOM 0 H GLN A 17 -10.543 -29.362 10.928 1.00 13.34 H new ATOM 0 HA GLN A 17 -10.626 -28.073 12.759 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -12.886 -28.964 12.587 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -12.436 -30.432 13.432 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -13.697 -29.072 14.950 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -12.034 -29.085 15.502 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -14.213 -27.175 16.050 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -13.608 -25.594 15.546 1.00 32.34 H new ATOM 268 N GLY A 18 -10.153 -30.526 14.894 1.00 74.42 N ATOM 269 CA GLY A 18 -9.430 -30.890 16.096 1.00 12.00 C ATOM 270 C GLY A 18 -10.336 -31.611 17.078 1.00 35.14 C ATOM 271 O GLY A 18 -11.548 -31.381 17.076 1.00 43.04 O ATOM 0 H GLY A 18 -10.899 -31.175 14.642 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -8.586 -31.529 15.837 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -9.020 -29.995 16.564 1.00 12.00 H new ATOM 275 N PRO A 19 -9.791 -32.511 17.921 1.00 2.43 N ATOM 276 CA PRO A 19 -10.585 -33.235 18.920 1.00 73.41 C ATOM 277 C PRO A 19 -11.132 -32.295 19.996 1.00 73.01 C ATOM 278 O PRO A 19 -10.508 -32.095 21.043 1.00 12.24 O ATOM 279 CB PRO A 19 -9.594 -34.254 19.521 1.00 61.45 C ATOM 280 CG PRO A 19 -8.437 -34.280 18.572 1.00 2.54 C ATOM 281 CD PRO A 19 -8.374 -32.905 17.965 1.00 51.13 C ATOM 0 HA PRO A 19 -11.463 -33.711 18.482 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -9.278 -33.954 20.520 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -10.050 -35.240 19.614 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -7.510 -34.521 19.092 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -8.578 -35.040 17.804 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -7.781 -32.220 18.572 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -7.926 -32.920 16.971 1.00 51.13 H new ATOM 289 N GLY A 20 -12.275 -31.682 19.705 1.00 44.34 N ATOM 290 CA GLY A 20 -12.919 -30.794 20.655 1.00 15.12 C ATOM 291 C GLY A 20 -13.967 -31.507 21.485 1.00 30.50 C ATOM 292 O GLY A 20 -13.778 -32.668 21.862 1.00 30.22 O ATOM 0 H GLY A 20 -12.770 -31.786 18.819 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -12.166 -30.363 21.315 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -13.384 -29.966 20.119 1.00 15.12 H new ATOM 296 N SER A 21 -15.062 -30.809 21.776 1.00 5.35 N ATOM 297 CA SER A 21 -16.177 -31.371 22.534 1.00 13.22 C ATOM 298 C SER A 21 -17.302 -30.340 22.663 1.00 35.21 C ATOM 299 O SER A 21 -18.391 -30.506 22.111 1.00 61.22 O ATOM 300 CB SER A 21 -15.703 -31.815 23.929 1.00 65.31 C ATOM 301 OG SER A 21 -15.067 -30.744 24.614 1.00 31.31 O ATOM 0 H SER A 21 -15.201 -29.839 21.493 1.00 5.35 H new ATOM 0 HA SER A 21 -16.558 -32.242 22.000 1.00 13.22 H new ATOM 0 HB2 SER A 21 -16.554 -32.170 24.511 1.00 65.31 H new ATOM 0 HB3 SER A 21 -15.012 -32.652 23.833 1.00 65.31 H new ATOM 0 HG SER A 21 -14.776 -31.049 25.499 1.00 31.31 H new ATOM 307 N MET A 22 -17.012 -29.263 23.386 1.00 40.34 N ATOM 308 CA MET A 22 -17.982 -28.198 23.653 1.00 11.43 C ATOM 309 C MET A 22 -17.324 -26.831 23.502 1.00 25.31 C ATOM 310 O MET A 22 -17.868 -25.806 23.921 1.00 73.35 O ATOM 311 CB MET A 22 -18.549 -28.358 25.068 1.00 14.10 C ATOM 312 CG MET A 22 -17.490 -28.617 26.142 1.00 73.13 C ATOM 313 SD MET A 22 -16.258 -27.301 26.259 1.00 12.04 S ATOM 314 CE MET A 22 -15.110 -28.001 27.444 1.00 34.42 C ATOM 0 H MET A 22 -16.097 -29.101 23.806 1.00 40.34 H new ATOM 0 HA MET A 22 -18.796 -28.271 22.931 1.00 11.43 H new ATOM 0 HB2 MET A 22 -19.103 -27.456 25.330 1.00 14.10 H new ATOM 0 HB3 MET A 22 -19.262 -29.182 25.071 1.00 14.10 H new ATOM 0 HG2 MET A 22 -17.982 -28.732 27.108 1.00 73.13 H new ATOM 0 HG3 MET A 22 -16.986 -29.559 25.927 1.00 73.13 H new ATOM 0 HE1 MET A 22 -14.293 -27.300 27.617 1.00 34.42 H new ATOM 0 HE2 MET A 22 -15.629 -28.193 28.383 1.00 34.42 H new ATOM 0 HE3 MET A 22 -14.709 -28.936 27.053 1.00 34.42 H new ATOM 324 N ASP A 23 -16.156 -26.843 22.884 1.00 74.42 N ATOM 325 CA ASP A 23 -15.315 -25.656 22.737 1.00 12.13 C ATOM 326 C ASP A 23 -15.970 -24.577 21.858 1.00 74.30 C ATOM 327 O ASP A 23 -16.674 -23.699 22.369 1.00 71.42 O ATOM 328 CB ASP A 23 -13.928 -26.062 22.197 1.00 21.15 C ATOM 329 CG ASP A 23 -14.009 -26.947 20.958 1.00 3.10 C ATOM 330 OD1 ASP A 23 -14.498 -28.088 21.074 1.00 33.13 O ATOM 331 OD2 ASP A 23 -13.608 -26.497 19.862 1.00 40.20 O ATOM 0 H ASP A 23 -15.756 -27.682 22.464 1.00 74.42 H new ATOM 0 HA ASP A 23 -15.193 -25.207 23.723 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -13.359 -25.163 21.959 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -13.380 -26.589 22.978 1.00 21.15 H new ATOM 336 N ASP A 24 -15.740 -24.628 20.549 1.00 42.31 N ATOM 337 CA ASP A 24 -16.211 -23.620 19.635 1.00 42.05 C ATOM 338 C ASP A 24 -17.162 -24.224 18.609 1.00 40.34 C ATOM 339 O ASP A 24 -16.906 -25.311 18.081 1.00 21.12 O ATOM 340 CB ASP A 24 -15.005 -23.028 18.912 1.00 70.42 C ATOM 341 CG ASP A 24 -14.210 -22.031 19.743 1.00 43.13 C ATOM 342 OD1 ASP A 24 -13.262 -22.452 20.443 1.00 14.53 O ATOM 343 OD2 ASP A 24 -14.507 -20.818 19.682 1.00 1.13 O ATOM 0 H ASP A 24 -15.217 -25.380 20.100 1.00 42.31 H new ATOM 0 HA ASP A 24 -16.747 -22.851 20.191 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -14.344 -23.839 18.607 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -15.347 -22.535 18.002 1.00 70.42 H new ATOM 348 N GLU A 25 -18.262 -23.530 18.344 1.00 43.24 N ATOM 349 CA GLU A 25 -19.117 -23.850 17.211 1.00 32.13 C ATOM 350 C GLU A 25 -18.344 -23.602 15.912 1.00 71.11 C ATOM 351 O GLU A 25 -17.416 -22.789 15.885 1.00 11.21 O ATOM 352 CB GLU A 25 -20.388 -22.990 17.257 1.00 24.04 C ATOM 353 CG GLU A 25 -21.401 -23.415 18.322 1.00 41.52 C ATOM 354 CD GLU A 25 -20.830 -23.505 19.733 1.00 11.45 C ATOM 355 OE1 GLU A 25 -20.221 -22.520 20.206 1.00 25.03 O ATOM 356 OE2 GLU A 25 -20.997 -24.565 20.379 1.00 40.34 O ATOM 0 H GLU A 25 -18.583 -22.739 18.902 1.00 43.24 H new ATOM 0 HA GLU A 25 -19.411 -24.899 17.255 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -20.104 -21.953 17.436 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.870 -23.024 16.280 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -22.229 -22.706 18.323 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -21.813 -24.386 18.047 1.00 41.52 H new ATOM 363 N LEU A 26 -18.714 -24.299 14.844 1.00 21.21 N ATOM 364 CA LEU A 26 -17.972 -24.206 13.591 1.00 15.43 C ATOM 365 C LEU A 26 -18.276 -22.909 12.845 1.00 11.11 C ATOM 366 O LEU A 26 -19.356 -22.325 12.973 1.00 33.23 O ATOM 367 CB LEU A 26 -18.261 -25.403 12.670 1.00 3.44 C ATOM 368 CG LEU A 26 -17.674 -26.757 13.111 1.00 42.43 C ATOM 369 CD1 LEU A 26 -16.200 -26.623 13.477 1.00 63.11 C ATOM 370 CD2 LEU A 26 -18.469 -27.362 14.266 1.00 21.13 C ATOM 0 H LEU A 26 -19.516 -24.929 14.819 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.916 -24.215 13.861 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -19.342 -25.512 12.578 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.878 -25.171 11.676 1.00 3.44 H new ATOM 0 HG LEU A 26 -17.752 -27.438 12.264 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -15.812 -27.594 13.785 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -15.641 -26.266 12.612 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -16.092 -25.913 14.297 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -18.027 -28.317 14.551 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -18.447 -26.683 15.118 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -19.502 -27.519 13.954 1.00 21.13 H new ATOM 382 N TYR A 27 -17.297 -22.473 12.073 1.00 5.01 N ATOM 383 CA TYR A 27 -17.425 -21.328 11.193 1.00 1.23 C ATOM 384 C TYR A 27 -17.001 -21.730 9.788 1.00 21.45 C ATOM 385 O TYR A 27 -16.134 -22.588 9.614 1.00 35.30 O ATOM 386 CB TYR A 27 -16.543 -20.167 11.680 1.00 52.12 C ATOM 387 CG TYR A 27 -17.178 -19.297 12.745 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.524 -19.810 13.992 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.436 -17.953 12.497 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.106 -19.008 14.955 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.013 -17.148 13.454 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.348 -17.678 14.680 1.00 13.21 C ATOM 393 OH TYR A 27 -18.924 -16.876 15.638 1.00 30.44 O ATOM 0 H TYR A 27 -16.377 -22.912 12.040 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.464 -20.998 11.192 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.611 -20.575 12.071 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.284 -19.542 10.826 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.335 -20.851 14.210 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.179 -17.533 11.536 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.370 -19.420 15.918 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.202 -16.106 13.244 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.025 -15.967 15.286 1.00 30.44 H new ATOM 403 N PHE A 28 -17.619 -21.106 8.804 1.00 71.32 N ATOM 404 CA PHE A 28 -17.252 -21.286 7.409 1.00 10.14 C ATOM 405 C PHE A 28 -16.770 -19.963 6.848 1.00 42.44 C ATOM 406 O PHE A 28 -17.064 -18.901 7.404 1.00 44.14 O ATOM 407 CB PHE A 28 -18.451 -21.809 6.585 1.00 40.34 C ATOM 408 CG PHE A 28 -18.267 -23.217 6.083 1.00 41.12 C ATOM 409 CD1 PHE A 28 -17.072 -23.602 5.498 1.00 74.33 C ATOM 410 CD2 PHE A 28 -19.275 -24.158 6.209 1.00 65.42 C ATOM 411 CE1 PHE A 28 -16.895 -24.890 5.048 1.00 21.32 C ATOM 412 CE2 PHE A 28 -19.093 -25.452 5.755 1.00 62.14 C ATOM 413 CZ PHE A 28 -17.905 -25.814 5.176 1.00 60.33 C ATOM 0 H PHE A 28 -18.393 -20.457 8.948 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.454 -22.026 7.345 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.350 -21.765 7.199 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.614 -21.147 5.735 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -16.272 -22.884 5.394 1.00 74.33 H new ATOM 0 HD2 PHE A 28 -20.213 -23.879 6.666 1.00 65.42 H new ATOM 0 HE1 PHE A 28 -15.959 -25.176 4.592 1.00 21.32 H new ATOM 0 HE2 PHE A 28 -19.887 -26.177 5.857 1.00 62.14 H new ATOM 0 HZ PHE A 28 -17.762 -26.824 4.821 1.00 60.33 H new ATOM 423 N VAL A 29 -16.025 -20.021 5.755 1.00 31.31 N ATOM 424 CA VAL A 29 -15.619 -18.820 5.058 1.00 3.35 C ATOM 425 C VAL A 29 -16.673 -18.549 3.996 1.00 63.31 C ATOM 426 O VAL A 29 -17.279 -19.483 3.494 1.00 22.10 O ATOM 427 CB VAL A 29 -14.204 -19.007 4.450 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.845 -17.897 3.467 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.163 -19.104 5.568 1.00 71.30 C ATOM 0 H VAL A 29 -15.692 -20.889 5.335 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.551 -17.965 5.731 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.208 -19.938 3.883 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.846 -18.073 3.069 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.565 -17.889 2.649 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.867 -16.935 3.980 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.172 -19.235 5.132 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -13.180 -18.190 6.162 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.394 -19.956 6.207 1.00 71.30 H new ATOM 439 N VAL A 30 -16.962 -17.294 3.702 1.00 64.44 N ATOM 440 CA VAL A 30 -18.020 -16.975 2.744 1.00 74.31 C ATOM 441 C VAL A 30 -17.616 -15.836 1.828 1.00 41.10 C ATOM 442 O VAL A 30 -16.686 -15.078 2.130 1.00 44.12 O ATOM 443 CB VAL A 30 -19.356 -16.611 3.441 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.831 -17.752 4.334 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.232 -15.312 4.233 1.00 64.13 C ATOM 0 H VAL A 30 -16.489 -16.484 4.104 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.171 -17.879 2.154 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.105 -16.454 2.665 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.770 -17.473 4.812 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.983 -18.647 3.731 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -19.080 -17.953 5.098 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.185 -15.084 4.710 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.462 -15.423 4.996 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -18.960 -14.500 3.559 1.00 64.13 H new ATOM 455 N ARG A 31 -18.315 -15.731 0.704 1.00 74.21 N ATOM 456 CA ARG A 31 -18.079 -14.652 -0.254 1.00 61.34 C ATOM 457 C ARG A 31 -19.277 -14.507 -1.191 1.00 65.32 C ATOM 458 O ARG A 31 -20.045 -15.456 -1.370 1.00 35.24 O ATOM 459 CB ARG A 31 -16.804 -14.947 -1.067 1.00 41.42 C ATOM 460 CG ARG A 31 -16.888 -16.238 -1.871 1.00 24.13 C ATOM 461 CD ARG A 31 -15.581 -16.588 -2.571 1.00 34.43 C ATOM 462 NE ARG A 31 -15.735 -17.790 -3.393 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.765 -18.664 -3.666 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.536 -18.472 -3.211 1.00 13.04 N ATOM 465 NH2 ARG A 31 -15.037 -19.737 -4.394 1.00 53.34 N ATOM 0 H ARG A 31 -19.052 -16.381 0.431 1.00 74.21 H new ATOM 0 HA ARG A 31 -17.947 -13.717 0.290 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.614 -14.116 -1.746 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -15.953 -15.005 -0.388 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.169 -17.056 -1.207 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.679 -16.146 -2.615 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.263 -15.753 -3.196 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.798 -16.747 -1.830 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.657 -17.974 -3.788 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.324 -17.650 -2.646 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.802 -19.147 -3.426 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -15.983 -19.891 -4.742 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.300 -20.409 -4.607 1.00 53.34 H new ATOM 479 N ASN A 32 -19.458 -13.314 -1.759 1.00 2.23 N ATOM 480 CA ASN A 32 -20.436 -13.127 -2.836 1.00 31.43 C ATOM 481 C ASN A 32 -20.133 -11.844 -3.607 1.00 1.13 C ATOM 482 O ASN A 32 -19.800 -10.829 -3.006 1.00 32.34 O ATOM 483 CB ASN A 32 -21.861 -13.053 -2.255 1.00 44.45 C ATOM 484 CG ASN A 32 -22.188 -11.686 -1.661 1.00 22.14 C ATOM 485 OD1 ASN A 32 -22.870 -10.870 -2.285 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.666 -11.410 -0.475 1.00 21.21 N ATOM 0 H ASN A 32 -18.948 -12.471 -1.497 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.369 -13.978 -3.514 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.581 -13.284 -3.040 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -21.974 -13.815 -1.484 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -21.823 -10.497 -0.049 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -21.107 -12.111 0.012 1.00 21.21 H new ATOM 493 N ASN A 33 -20.278 -11.910 -4.937 1.00 42.50 N ATOM 494 CA ASN A 33 -20.138 -10.757 -5.860 1.00 1.24 C ATOM 495 C ASN A 33 -18.933 -9.825 -5.556 1.00 14.24 C ATOM 496 O ASN A 33 -18.750 -8.809 -6.227 1.00 32.20 O ATOM 497 CB ASN A 33 -21.451 -9.946 -5.858 1.00 73.12 C ATOM 498 CG ASN A 33 -21.517 -8.885 -6.951 1.00 2.33 C ATOM 499 OD1 ASN A 33 -20.906 -9.020 -8.012 1.00 42.53 O ATOM 500 ND2 ASN A 33 -22.279 -7.830 -6.705 1.00 65.15 N ATOM 0 H ASN A 33 -20.501 -12.781 -5.419 1.00 42.50 H new ATOM 0 HA ASN A 33 -19.934 -11.176 -6.845 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.291 -10.631 -5.977 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -21.568 -9.463 -4.888 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -22.375 -7.095 -7.406 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -22.770 -7.752 -5.815 1.00 65.15 H new ATOM 507 N GLU A 34 -18.102 -10.171 -4.572 1.00 12.12 N ATOM 508 CA GLU A 34 -17.034 -9.279 -4.116 1.00 15.25 C ATOM 509 C GLU A 34 -15.653 -9.838 -4.452 1.00 55.43 C ATOM 510 O GLU A 34 -14.710 -9.083 -4.694 1.00 11.43 O ATOM 511 CB GLU A 34 -17.180 -9.034 -2.608 1.00 31.40 C ATOM 512 CG GLU A 34 -17.041 -10.289 -1.754 1.00 45.21 C ATOM 513 CD GLU A 34 -17.504 -10.072 -0.321 1.00 55.45 C ATOM 514 OE1 GLU A 34 -17.106 -9.054 0.288 1.00 52.32 O ATOM 515 OE2 GLU A 34 -18.264 -10.920 0.195 1.00 70.25 O ATOM 0 H GLU A 34 -18.147 -11.061 -4.076 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.127 -8.329 -4.642 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.428 -8.310 -2.295 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.154 -8.584 -2.417 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.621 -11.096 -2.202 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.999 -10.609 -1.751 1.00 45.21 H new ATOM 522 N GLY A 35 -15.538 -11.163 -4.452 1.00 13.30 N ATOM 523 CA GLY A 35 -14.284 -11.815 -4.795 1.00 3.53 C ATOM 524 C GLY A 35 -13.366 -12.010 -3.598 1.00 21.20 C ATOM 525 O GLY A 35 -12.492 -12.881 -3.623 1.00 11.05 O ATOM 0 H GLY A 35 -16.298 -11.802 -4.219 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.497 -12.785 -5.244 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.767 -11.221 -5.549 1.00 3.53 H new ATOM 529 N GLN A 36 -13.558 -11.206 -2.551 1.00 72.42 N ATOM 530 CA GLN A 36 -12.738 -11.301 -1.342 1.00 74.31 C ATOM 531 C GLN A 36 -13.315 -12.344 -0.389 1.00 21.04 C ATOM 532 O GLN A 36 -14.391 -12.895 -0.637 1.00 51.11 O ATOM 533 CB GLN A 36 -12.629 -9.946 -0.627 1.00 41.20 C ATOM 534 CG GLN A 36 -13.899 -9.514 0.095 1.00 14.33 C ATOM 535 CD GLN A 36 -13.689 -8.287 0.965 1.00 24.11 C ATOM 536 OE1 GLN A 36 -12.592 -8.048 1.471 1.00 61.54 O ATOM 537 NE2 GLN A 36 -14.743 -7.516 1.160 1.00 51.11 N ATOM 0 H GLN A 36 -14.275 -10.481 -2.516 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.737 -11.605 -1.647 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -11.813 -9.994 0.094 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.363 -9.183 -1.358 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -14.677 -9.305 -0.640 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -14.258 -10.336 0.714 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -15.634 -7.750 0.722 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -14.666 -6.687 1.749 1.00 51.11 H new ATOM 546 N TYR A 37 -12.594 -12.613 0.694 1.00 44.03 N ATOM 547 CA TYR A 37 -12.995 -13.631 1.662 1.00 31.33 C ATOM 548 C TYR A 37 -13.526 -13.027 2.954 1.00 72.14 C ATOM 549 O TYR A 37 -13.004 -12.027 3.456 1.00 73.10 O ATOM 550 CB TYR A 37 -11.815 -14.559 1.972 1.00 65.43 C ATOM 551 CG TYR A 37 -11.618 -15.617 0.915 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.618 -16.547 0.681 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.459 -15.685 0.149 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.471 -17.527 -0.285 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.304 -16.657 -0.819 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.312 -17.577 -1.033 1.00 11.32 C ATOM 557 OH TYR A 37 -11.164 -18.545 -2.002 1.00 0.35 O ATOM 0 H TYR A 37 -11.722 -12.137 0.926 1.00 44.03 H new ATOM 0 HA TYR A 37 -13.806 -14.201 1.209 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -10.905 -13.966 2.062 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -11.979 -15.040 2.936 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.527 -16.506 1.262 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.669 -14.967 0.314 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.258 -18.248 -0.452 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.399 -16.698 -1.406 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.292 -18.441 -2.438 1.00 0.35 H new ATOM 567 N SER A 38 -14.580 -13.642 3.479 1.00 71.15 N ATOM 568 CA SER A 38 -15.114 -13.295 4.784 1.00 73.51 C ATOM 569 C SER A 38 -15.402 -14.573 5.573 1.00 12.10 C ATOM 570 O SER A 38 -15.194 -15.669 5.062 1.00 11.10 O ATOM 571 CB SER A 38 -16.390 -12.455 4.631 1.00 52.44 C ATOM 572 OG SER A 38 -16.160 -11.307 3.828 1.00 71.45 O ATOM 0 H SER A 38 -15.085 -14.394 3.010 1.00 71.15 H new ATOM 0 HA SER A 38 -14.380 -12.701 5.328 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.176 -13.063 4.183 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.746 -12.148 5.615 1.00 52.44 H new ATOM 0 HG SER A 38 -16.990 -10.793 3.747 1.00 71.45 H new ATOM 578 N VAL A 39 -15.866 -14.439 6.814 1.00 63.03 N ATOM 579 CA VAL A 39 -16.239 -15.600 7.623 1.00 5.30 C ATOM 580 C VAL A 39 -17.689 -15.491 8.084 1.00 14.12 C ATOM 581 O VAL A 39 -18.259 -14.393 8.111 1.00 3.12 O ATOM 582 CB VAL A 39 -15.305 -15.795 8.846 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.869 -16.063 8.388 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.362 -14.596 9.795 1.00 24.42 C ATOM 0 H VAL A 39 -15.993 -13.541 7.281 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.128 -16.477 6.985 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.659 -16.665 9.400 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.228 -16.197 9.259 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -13.844 -16.965 7.777 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.511 -15.217 7.801 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.695 -14.769 10.640 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.050 -13.697 9.264 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.382 -14.468 10.158 1.00 24.42 H new ATOM 594 N TRP A 40 -18.274 -16.629 8.441 1.00 31.10 N ATOM 595 CA TRP A 40 -19.690 -16.720 8.775 1.00 74.31 C ATOM 596 C TRP A 40 -19.920 -17.965 9.630 1.00 25.31 C ATOM 597 O TRP A 40 -19.326 -19.010 9.368 1.00 1.51 O ATOM 598 CB TRP A 40 -20.493 -16.797 7.470 1.00 25.04 C ATOM 599 CG TRP A 40 -21.983 -16.693 7.616 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.878 -17.723 7.679 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.755 -15.487 7.676 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.156 -17.230 7.770 1.00 4.55 N ATOM 603 CE2 TRP A 40 -24.105 -15.861 7.773 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.433 -14.126 7.655 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.134 -14.929 7.851 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.456 -13.199 7.734 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.792 -13.604 7.829 1.00 71.21 C ATOM 0 H TRP A 40 -17.777 -17.517 8.507 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.014 -15.846 9.341 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.155 -15.999 6.809 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.260 -17.740 6.976 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.618 -18.771 7.660 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.006 -17.792 7.826 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.405 -13.805 7.579 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.166 -15.239 7.926 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.220 -12.145 7.722 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.569 -12.856 7.886 1.00 71.21 H new ATOM 618 N MET A 41 -20.756 -17.852 10.654 1.00 15.53 N ATOM 619 CA MET A 41 -20.980 -18.960 11.582 1.00 1.22 C ATOM 620 C MET A 41 -21.697 -20.117 10.884 1.00 72.33 C ATOM 621 O MET A 41 -22.772 -19.935 10.310 1.00 71.32 O ATOM 622 CB MET A 41 -21.795 -18.489 12.794 1.00 42.31 C ATOM 623 CG MET A 41 -21.982 -19.562 13.859 1.00 31.15 C ATOM 624 SD MET A 41 -22.901 -18.962 15.290 1.00 32.11 S ATOM 625 CE MET A 41 -22.902 -20.420 16.329 1.00 73.30 C ATOM 0 H MET A 41 -21.290 -17.009 10.865 1.00 15.53 H new ATOM 0 HA MET A 41 -20.009 -19.314 11.927 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.299 -17.627 13.242 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.774 -18.152 12.454 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.507 -20.413 13.425 1.00 31.15 H new ATOM 0 HG3 MET A 41 -21.005 -19.922 14.183 1.00 31.15 H new ATOM 0 HE1 MET A 41 -23.553 -20.254 17.188 1.00 73.30 H new ATOM 0 HE2 MET A 41 -23.266 -21.274 15.757 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.888 -20.621 16.675 1.00 73.30 H new ATOM 635 N ASP A 42 -21.093 -21.304 10.937 1.00 51.30 N ATOM 636 CA ASP A 42 -21.678 -22.494 10.320 1.00 11.42 C ATOM 637 C ASP A 42 -22.945 -22.900 11.062 1.00 34.45 C ATOM 638 O ASP A 42 -22.951 -22.997 12.293 1.00 34.15 O ATOM 639 CB ASP A 42 -20.675 -23.658 10.306 1.00 70.44 C ATOM 640 CG ASP A 42 -21.289 -24.948 9.778 1.00 62.11 C ATOM 641 OD1 ASP A 42 -21.513 -25.048 8.553 1.00 62.33 O ATOM 642 OD2 ASP A 42 -21.565 -25.862 10.583 1.00 14.52 O ATOM 0 H ASP A 42 -20.199 -21.467 11.401 1.00 51.30 H new ATOM 0 HA ASP A 42 -21.932 -22.253 9.288 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -19.818 -23.388 9.689 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.301 -23.824 11.316 1.00 70.44 H new ATOM 647 N GLY A 43 -24.012 -23.133 10.307 1.00 43.50 N ATOM 648 CA GLY A 43 -25.307 -23.411 10.899 1.00 3.14 C ATOM 649 C GLY A 43 -26.264 -22.254 10.697 1.00 31.24 C ATOM 650 O GLY A 43 -27.459 -22.360 10.986 1.00 3.04 O ATOM 0 H GLY A 43 -24.002 -23.134 9.287 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.726 -24.314 10.455 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.188 -23.605 11.965 1.00 3.14 H new ATOM 654 N ARG A 44 -25.730 -21.138 10.210 1.00 4.12 N ATOM 655 CA ARG A 44 -26.535 -19.966 9.887 1.00 32.44 C ATOM 656 C ARG A 44 -26.656 -19.840 8.370 1.00 64.22 C ATOM 657 O ARG A 44 -25.675 -19.558 7.683 1.00 52.23 O ATOM 658 CB ARG A 44 -25.905 -18.702 10.491 1.00 0.23 C ATOM 659 CG ARG A 44 -26.733 -17.437 10.282 1.00 25.34 C ATOM 660 CD ARG A 44 -26.126 -16.239 11.003 1.00 30.41 C ATOM 661 NE ARG A 44 -26.929 -15.031 10.814 1.00 65.32 N ATOM 662 CZ ARG A 44 -26.666 -13.854 11.379 1.00 41.11 C ATOM 663 NH1 ARG A 44 -25.611 -13.706 12.170 1.00 33.33 N ATOM 664 NH2 ARG A 44 -27.463 -12.818 11.149 1.00 23.54 N ATOM 0 H ARG A 44 -24.733 -21.021 10.029 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.531 -20.081 10.314 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.759 -18.856 11.560 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -24.918 -18.555 10.052 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -26.805 -17.222 9.216 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -27.748 -17.603 10.643 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -26.043 -16.458 12.067 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.115 -16.066 10.634 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.747 -15.094 10.208 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -24.993 -14.498 12.350 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -25.418 -12.801 12.598 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -28.275 -12.924 10.541 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -27.264 -11.916 11.581 1.00 23.54 H new ATOM 678 N SER A 45 -27.862 -20.061 7.860 1.00 20.53 N ATOM 679 CA SER A 45 -28.101 -20.123 6.422 1.00 5.15 C ATOM 680 C SER A 45 -27.880 -18.773 5.744 1.00 72.32 C ATOM 681 O SER A 45 -28.216 -17.713 6.285 1.00 4.10 O ATOM 682 CB SER A 45 -29.518 -20.640 6.153 1.00 43.33 C ATOM 683 OG SER A 45 -29.704 -21.918 6.744 1.00 24.12 O ATOM 0 H SER A 45 -28.698 -20.202 8.427 1.00 20.53 H new ATOM 0 HA SER A 45 -27.377 -20.815 5.992 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.249 -19.938 6.554 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.691 -20.702 5.079 1.00 43.33 H new ATOM 0 HG SER A 45 -30.615 -22.232 6.564 1.00 24.12 H new ATOM 689 N LEU A 46 -27.303 -18.839 4.550 1.00 30.11 N ATOM 690 CA LEU A 46 -26.993 -17.662 3.755 1.00 41.30 C ATOM 691 C LEU A 46 -28.089 -17.381 2.728 1.00 52.25 C ATOM 692 O LEU A 46 -28.772 -18.300 2.261 1.00 65.25 O ATOM 693 CB LEU A 46 -25.654 -17.866 3.036 1.00 31.30 C ATOM 694 CG LEU A 46 -24.404 -17.702 3.910 1.00 40.51 C ATOM 695 CD1 LEU A 46 -23.150 -18.072 3.130 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.296 -16.271 4.429 1.00 11.43 C ATOM 0 H LEU A 46 -27.036 -19.717 4.105 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.928 -16.805 4.426 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.643 -18.865 2.601 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.594 -17.158 2.209 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.495 -18.376 4.761 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.275 -17.949 3.768 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.218 -19.110 2.803 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.058 -17.423 2.259 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.403 -16.174 5.047 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.231 -15.582 3.587 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.177 -16.033 5.025 1.00 11.43 H new ATOM 708 N PRO A 47 -28.262 -16.100 2.359 1.00 40.22 N ATOM 709 CA PRO A 47 -29.204 -15.703 1.315 1.00 35.22 C ATOM 710 C PRO A 47 -28.646 -15.973 -0.087 1.00 3.22 C ATOM 711 O PRO A 47 -27.422 -15.984 -0.297 1.00 43.43 O ATOM 712 CB PRO A 47 -29.388 -14.202 1.562 1.00 55.23 C ATOM 713 CG PRO A 47 -28.108 -13.753 2.189 1.00 33.22 C ATOM 714 CD PRO A 47 -27.552 -14.940 2.941 1.00 72.34 C ATOM 0 HA PRO A 47 -30.139 -16.262 1.356 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -29.579 -13.669 0.630 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.237 -14.011 2.218 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.404 -13.412 1.430 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -28.281 -12.914 2.863 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.473 -15.026 2.809 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.737 -14.856 4.012 1.00 72.34 H new ATOM 722 N ALA A 48 -29.556 -16.195 -1.039 1.00 24.10 N ATOM 723 CA ALA A 48 -29.187 -16.525 -2.412 1.00 45.31 C ATOM 724 C ALA A 48 -28.181 -15.518 -2.966 1.00 10.30 C ATOM 725 O ALA A 48 -28.406 -14.304 -2.924 1.00 50.42 O ATOM 726 CB ALA A 48 -30.431 -16.587 -3.293 1.00 71.43 C ATOM 0 H ALA A 48 -30.562 -16.151 -0.878 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.711 -17.506 -2.413 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.142 -16.834 -4.314 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.108 -17.352 -2.913 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -30.933 -15.620 -3.282 1.00 71.43 H new ATOM 732 N GLY A 49 -27.077 -16.040 -3.479 1.00 61.20 N ATOM 733 CA GLY A 49 -25.996 -15.205 -3.968 1.00 60.31 C ATOM 734 C GLY A 49 -24.735 -15.401 -3.151 1.00 71.01 C ATOM 735 O GLY A 49 -23.625 -15.368 -3.691 1.00 13.20 O ATOM 0 H GLY A 49 -26.908 -17.042 -3.567 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -25.795 -15.442 -5.013 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.297 -14.158 -3.930 1.00 60.31 H new ATOM 739 N TRP A 50 -24.906 -15.624 -1.848 1.00 52.24 N ATOM 740 CA TRP A 50 -23.770 -15.848 -0.956 1.00 31.12 C ATOM 741 C TRP A 50 -23.342 -17.309 -1.015 1.00 32.34 C ATOM 742 O TRP A 50 -24.185 -18.201 -1.109 1.00 34.24 O ATOM 743 CB TRP A 50 -24.136 -15.461 0.482 1.00 51.44 C ATOM 744 CG TRP A 50 -24.443 -14.001 0.653 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.417 -13.285 0.016 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.774 -13.080 1.523 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.397 -11.982 0.437 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.398 -11.829 1.362 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.713 -13.194 2.426 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.994 -10.699 2.066 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -22.311 -12.071 3.124 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.953 -10.839 2.941 1.00 53.43 C ATOM 0 H TRP A 50 -25.816 -15.654 -1.389 1.00 52.24 H new ATOM 0 HA TRP A 50 -22.939 -15.222 -1.282 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.001 -16.045 0.797 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.312 -15.730 1.143 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.103 -13.688 -0.714 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.024 -11.245 0.114 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.217 -14.142 2.575 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.484 -9.747 1.926 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.489 -12.144 3.821 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -22.618 -9.980 3.504 1.00 53.43 H new ATOM 763 N GLU A 51 -22.037 -17.553 -0.961 1.00 31.52 N ATOM 764 CA GLU A 51 -21.514 -18.912 -1.041 1.00 65.54 C ATOM 765 C GLU A 51 -20.543 -19.180 0.101 1.00 44.41 C ATOM 766 O GLU A 51 -19.847 -18.263 0.576 1.00 23.22 O ATOM 767 CB GLU A 51 -20.832 -19.151 -2.396 1.00 21.21 C ATOM 768 CG GLU A 51 -19.539 -18.368 -2.575 1.00 31.04 C ATOM 769 CD GLU A 51 -19.039 -18.353 -4.012 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.588 -17.580 -4.827 1.00 2.31 O ATOM 771 OE2 GLU A 51 -18.077 -19.090 -4.322 1.00 74.23 O ATOM 0 H GLU A 51 -21.324 -16.830 -0.863 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.350 -19.606 -0.951 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.620 -20.215 -2.504 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.524 -18.881 -3.194 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.694 -17.342 -2.241 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.770 -18.799 -1.934 1.00 31.04 H new ATOM 778 N THR A 52 -20.523 -20.441 0.529 1.00 32.54 N ATOM 779 CA THR A 52 -19.663 -20.915 1.604 1.00 63.35 C ATOM 780 C THR A 52 -18.425 -21.598 1.030 1.00 21.15 C ATOM 781 O THR A 52 -18.480 -22.191 -0.050 1.00 10.23 O ATOM 782 CB THR A 52 -20.418 -21.906 2.523 1.00 43.32 C ATOM 783 OG1 THR A 52 -21.092 -22.892 1.728 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.433 -21.187 3.406 1.00 41.04 C ATOM 0 H THR A 52 -21.114 -21.171 0.131 1.00 32.54 H new ATOM 0 HA THR A 52 -19.360 -20.051 2.195 1.00 63.35 H new ATOM 0 HB THR A 52 -19.683 -22.387 3.168 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.566 -23.517 2.315 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.944 -21.913 4.038 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.918 -20.459 4.033 1.00 41.04 H new ATOM 0 HG23 THR A 52 -22.162 -20.674 2.779 1.00 41.04 H new ATOM 792 N VAL A 53 -17.330 -21.535 1.778 1.00 23.41 N ATOM 793 CA VAL A 53 -16.028 -21.992 1.316 1.00 22.34 C ATOM 794 C VAL A 53 -15.115 -22.338 2.495 1.00 44.25 C ATOM 795 O VAL A 53 -15.297 -21.835 3.626 1.00 74.21 O ATOM 796 CB VAL A 53 -15.328 -20.929 0.410 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.736 -21.100 -1.053 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.651 -19.511 0.875 1.00 31.43 C ATOM 0 H VAL A 53 -17.322 -21.163 2.728 1.00 23.41 H new ATOM 0 HA VAL A 53 -16.203 -22.890 0.723 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.253 -21.087 0.494 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -15.234 -20.347 -1.661 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -15.450 -22.094 -1.397 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.815 -20.981 -1.146 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.150 -18.792 0.226 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.728 -19.350 0.831 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.305 -19.377 1.900 1.00 31.43 H new ATOM 808 N GLY A 54 -14.149 -23.219 2.219 1.00 3.04 N ATOM 809 CA GLY A 54 -13.141 -23.580 3.191 1.00 22.23 C ATOM 810 C GLY A 54 -13.510 -24.817 3.981 1.00 33.01 C ATOM 811 O GLY A 54 -14.341 -25.619 3.544 1.00 72.20 O ATOM 0 H GLY A 54 -14.053 -23.692 1.321 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -12.193 -23.749 2.680 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.989 -22.747 3.877 1.00 22.23 H new ATOM 815 N GLU A 55 -12.869 -24.974 5.133 1.00 4.43 N ATOM 816 CA GLU A 55 -13.193 -26.032 6.083 1.00 31.03 C ATOM 817 C GLU A 55 -13.978 -25.427 7.245 1.00 24.14 C ATOM 818 O GLU A 55 -13.599 -24.367 7.754 1.00 23.13 O ATOM 819 CB GLU A 55 -11.905 -26.693 6.609 1.00 24.22 C ATOM 820 CG GLU A 55 -12.150 -27.763 7.667 1.00 31.31 C ATOM 821 CD GLU A 55 -10.869 -28.367 8.228 1.00 15.13 C ATOM 822 OE1 GLU A 55 -10.193 -29.132 7.506 1.00 72.41 O ATOM 823 OE2 GLU A 55 -10.549 -28.113 9.409 1.00 54.04 O ATOM 0 H GLU A 55 -12.106 -24.368 5.436 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.793 -26.795 5.586 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -11.369 -27.139 5.772 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -11.257 -25.923 7.028 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -12.726 -27.329 8.484 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -12.758 -28.558 7.235 1.00 31.31 H new ATOM 830 N PRO A 56 -15.098 -26.049 7.666 1.00 15.13 N ATOM 831 CA PRO A 56 -15.835 -25.576 8.831 1.00 1.52 C ATOM 832 C PRO A 56 -15.043 -25.843 10.113 1.00 72.40 C ATOM 833 O PRO A 56 -14.864 -26.990 10.523 1.00 53.12 O ATOM 834 CB PRO A 56 -17.141 -26.373 8.784 1.00 31.21 C ATOM 835 CG PRO A 56 -16.802 -27.618 8.040 1.00 3.01 C ATOM 836 CD PRO A 56 -15.730 -27.237 7.051 1.00 64.45 C ATOM 0 HA PRO A 56 -16.014 -24.501 8.823 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -17.503 -26.598 9.787 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.928 -25.813 8.279 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -16.447 -28.393 8.719 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -17.678 -28.018 7.530 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -15.012 -28.044 6.907 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -16.151 -27.006 6.072 1.00 64.45 H new ATOM 844 N ALA A 57 -14.572 -24.772 10.733 1.00 33.55 N ATOM 845 CA ALA A 57 -13.651 -24.856 11.861 1.00 55.44 C ATOM 846 C ALA A 57 -13.892 -23.702 12.825 1.00 31.23 C ATOM 847 O ALA A 57 -14.662 -22.794 12.526 1.00 52.10 O ATOM 848 CB ALA A 57 -12.206 -24.848 11.365 1.00 52.45 C ATOM 0 H ALA A 57 -14.817 -23.818 10.469 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.829 -25.792 12.391 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.529 -24.911 12.217 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -12.042 -25.702 10.707 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -12.015 -23.926 10.817 1.00 52.45 H new ATOM 854 N THR A 58 -13.236 -23.746 13.977 1.00 61.34 N ATOM 855 CA THR A 58 -13.374 -22.699 14.988 1.00 41.54 C ATOM 856 C THR A 58 -13.012 -21.319 14.420 1.00 53.23 C ATOM 857 O THR A 58 -12.258 -21.219 13.448 1.00 72.34 O ATOM 858 CB THR A 58 -12.496 -22.999 16.229 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.601 -21.929 17.172 1.00 12.31 O ATOM 860 CG2 THR A 58 -11.034 -23.195 15.846 1.00 4.31 C ATOM 0 H THR A 58 -12.599 -24.499 14.238 1.00 61.34 H new ATOM 0 HA THR A 58 -14.421 -22.686 15.292 1.00 41.54 H new ATOM 0 HB THR A 58 -12.859 -23.924 16.676 1.00 32.00 H new ATOM 0 HG1 THR A 58 -12.045 -22.127 17.954 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.448 -23.403 16.741 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.948 -24.032 15.153 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.658 -22.290 15.369 1.00 4.31 H new ATOM 868 N LYS A 59 -13.547 -20.265 15.045 1.00 20.01 N ATOM 869 CA LYS A 59 -13.339 -18.882 14.599 1.00 44.32 C ATOM 870 C LYS A 59 -11.854 -18.598 14.372 1.00 75.31 C ATOM 871 O LYS A 59 -11.477 -17.990 13.364 1.00 55.41 O ATOM 872 CB LYS A 59 -13.911 -17.899 15.635 1.00 22.43 C ATOM 873 CG LYS A 59 -13.811 -16.423 15.237 1.00 75.31 C ATOM 874 CD LYS A 59 -14.582 -16.124 13.954 1.00 22.03 C ATOM 875 CE LYS A 59 -14.624 -14.629 13.641 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.354 -13.854 14.682 1.00 44.44 N ATOM 0 H LYS A 59 -14.136 -20.346 15.874 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.862 -18.748 13.652 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.959 -18.144 15.810 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.388 -18.043 16.580 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.198 -15.802 16.045 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.763 -16.154 15.102 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.119 -16.655 13.122 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.600 -16.503 14.047 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.606 -14.249 13.556 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.103 -14.476 12.674 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.579 -12.907 14.316 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -16.235 -14.348 14.928 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -14.758 -13.765 15.530 1.00 44.44 H new ATOM 890 N GLN A 60 -11.021 -19.060 15.308 1.00 12.52 N ATOM 891 CA GLN A 60 -9.571 -18.903 15.205 1.00 60.11 C ATOM 892 C GLN A 60 -9.060 -19.437 13.864 1.00 73.42 C ATOM 893 O GLN A 60 -8.351 -18.743 13.143 1.00 12.21 O ATOM 894 CB GLN A 60 -8.854 -19.630 16.355 1.00 71.20 C ATOM 895 CG GLN A 60 -7.328 -19.546 16.268 1.00 21.32 C ATOM 896 CD GLN A 60 -6.604 -20.304 17.374 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.186 -21.399 17.840 1.00 72.30 O flip ATOM 898 NE2 GLN A 60 -5.508 -19.919 17.787 1.00 42.31 N flip ATOM 0 H GLN A 60 -11.330 -19.548 16.149 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.351 -17.837 15.271 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.181 -19.205 17.304 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -9.154 -20.678 16.356 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -7.007 -19.937 15.303 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.029 -18.498 16.303 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -5.089 -19.071 17.406 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -5.021 -20.449 18.510 1.00 42.31 H new ATOM 907 N GLN A 61 -9.437 -20.667 13.529 1.00 11.51 N ATOM 908 CA GLN A 61 -8.980 -21.295 12.289 1.00 25.23 C ATOM 909 C GLN A 61 -9.605 -20.612 11.077 1.00 25.12 C ATOM 910 O GLN A 61 -8.994 -20.539 10.009 1.00 72.45 O ATOM 911 CB GLN A 61 -9.306 -22.796 12.282 1.00 32.13 C ATOM 912 CG GLN A 61 -8.573 -23.593 13.362 1.00 4.10 C ATOM 913 CD GLN A 61 -7.057 -23.512 13.235 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.516 -23.375 12.136 1.00 3.32 O ATOM 915 NE2 GLN A 61 -6.364 -23.601 14.360 1.00 15.31 N ATOM 0 H GLN A 61 -10.055 -21.249 14.095 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.898 -21.179 12.233 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.380 -22.925 12.415 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -9.053 -23.208 11.305 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.870 -23.223 14.343 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.881 -24.637 13.308 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.849 -23.714 15.250 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -5.345 -23.557 14.336 1.00 15.31 H new ATOM 924 N CYS A 62 -10.817 -20.094 11.258 1.00 12.43 N ATOM 925 CA CYS A 62 -11.537 -19.435 10.175 1.00 63.15 C ATOM 926 C CYS A 62 -10.777 -18.183 9.715 1.00 45.14 C ATOM 927 O CYS A 62 -10.524 -18.011 8.518 1.00 24.33 O ATOM 928 CB CYS A 62 -12.967 -19.084 10.615 1.00 43.44 C ATOM 929 SG CYS A 62 -14.150 -18.929 9.258 1.00 5.43 S ATOM 0 H CYS A 62 -11.320 -20.118 12.145 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.605 -20.120 9.330 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.321 -19.852 11.303 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -12.943 -18.146 11.169 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.847 -20.022 9.163 1.00 5.43 H new ATOM 935 N LEU A 63 -10.392 -17.322 10.667 1.00 32.10 N ATOM 936 CA LEU A 63 -9.580 -16.148 10.335 1.00 54.21 C ATOM 937 C LEU A 63 -8.186 -16.587 9.896 1.00 45.12 C ATOM 938 O LEU A 63 -7.695 -16.151 8.852 1.00 0.30 O ATOM 939 CB LEU A 63 -9.514 -15.131 11.509 1.00 51.43 C ATOM 940 CG LEU A 63 -9.193 -15.698 12.910 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.690 -15.712 13.178 1.00 32.23 C ATOM 942 CD2 LEU A 63 -9.922 -14.904 13.995 1.00 43.32 C ATOM 0 H LEU A 63 -10.626 -17.415 11.656 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.060 -15.629 9.506 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -8.761 -14.381 11.266 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -10.472 -14.614 11.564 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.546 -16.729 12.936 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.501 -16.117 14.172 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.193 -16.333 12.433 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.301 -14.696 13.120 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.682 -15.320 14.974 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -9.607 -13.861 13.957 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -10.998 -14.964 13.829 1.00 43.32 H new ATOM 954 N GLN A 64 -7.593 -17.498 10.663 1.00 23.35 N ATOM 955 CA GLN A 64 -6.220 -17.948 10.434 1.00 61.05 C ATOM 956 C GLN A 64 -6.050 -18.503 9.021 1.00 42.03 C ATOM 957 O GLN A 64 -4.979 -18.398 8.422 1.00 43.03 O ATOM 958 CB GLN A 64 -5.832 -19.010 11.471 1.00 61.12 C ATOM 959 CG GLN A 64 -4.360 -19.387 11.447 1.00 33.54 C ATOM 960 CD GLN A 64 -4.026 -20.481 12.446 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.684 -20.210 13.599 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.139 -21.727 12.018 1.00 60.21 N ATOM 0 H GLN A 64 -8.048 -17.945 11.459 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.559 -17.088 10.540 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.086 -18.643 12.465 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.429 -19.906 11.300 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.089 -19.719 10.445 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.758 -18.505 11.664 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.425 -21.912 11.056 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -3.940 -22.503 12.649 1.00 60.21 H new ATOM 971 N ARG A 65 -7.112 -19.097 8.496 1.00 40.34 N ATOM 972 CA ARG A 65 -7.078 -19.679 7.162 1.00 13.52 C ATOM 973 C ARG A 65 -7.020 -18.598 6.082 1.00 14.24 C ATOM 974 O ARG A 65 -6.122 -18.602 5.241 1.00 44.41 O ATOM 975 CB ARG A 65 -8.310 -20.565 6.943 1.00 2.22 C ATOM 976 CG ARG A 65 -8.439 -21.090 5.518 1.00 23.32 C ATOM 977 CD ARG A 65 -9.661 -21.978 5.344 1.00 54.45 C ATOM 978 NE ARG A 65 -9.825 -22.400 3.952 1.00 65.22 N ATOM 979 CZ ARG A 65 -9.703 -23.658 3.529 1.00 14.34 C ATOM 980 NH1 ARG A 65 -9.367 -24.624 4.378 1.00 74.43 N ATOM 981 NH2 ARG A 65 -9.896 -23.943 2.250 1.00 73.25 N ATOM 0 H ARG A 65 -8.008 -19.189 8.974 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.175 -20.284 7.085 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.266 -21.410 7.630 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.205 -19.996 7.194 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.501 -20.250 4.827 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.543 -21.652 5.257 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -9.567 -22.856 5.983 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.552 -21.441 5.669 1.00 54.45 H new ATOM 0 HE ARG A 65 -10.047 -21.684 3.260 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -9.201 -24.405 5.360 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -9.275 -25.585 4.047 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -10.137 -23.201 1.593 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -9.804 -24.904 1.922 1.00 73.25 H new ATOM 995 N ILE A 66 -7.959 -17.655 6.124 1.00 5.32 N ATOM 996 CA ILE A 66 -8.091 -16.661 5.053 1.00 74.32 C ATOM 997 C ILE A 66 -6.935 -15.664 5.060 1.00 34.13 C ATOM 998 O ILE A 66 -6.446 -15.259 4.001 1.00 70.50 O ATOM 999 CB ILE A 66 -9.434 -15.892 5.138 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.639 -15.287 6.540 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.593 -16.817 4.773 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.872 -14.411 6.663 1.00 42.21 C ATOM 0 H ILE A 66 -8.636 -17.556 6.880 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.068 -17.220 4.118 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.404 -15.069 4.423 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.708 -16.097 7.267 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.760 -14.698 6.802 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.532 -16.266 4.836 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.457 -17.187 3.757 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.619 -17.659 5.465 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -10.944 -14.024 7.680 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.799 -13.579 5.963 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.761 -15.000 6.435 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.492 -15.289 6.253 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.445 -14.289 6.404 1.00 71.01 C ATOM 1016 C GLU A 67 -4.098 -14.827 5.926 1.00 51.43 C ATOM 1017 O GLU A 67 -3.330 -14.104 5.307 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.360 -13.827 7.863 1.00 61.10 C ATOM 1019 CG GLU A 67 -4.998 -14.943 8.839 1.00 14.42 C ATOM 1020 CD GLU A 67 -5.393 -14.634 10.270 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.392 -13.912 10.467 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -4.739 -15.148 11.196 1.00 43.23 O ATOM 0 H GLU A 67 -6.844 -15.665 7.134 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.699 -13.431 5.782 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -4.617 -13.033 7.941 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -6.318 -13.397 8.155 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -5.487 -15.865 8.525 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -3.924 -15.121 8.795 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.829 -16.105 6.188 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.568 -16.729 5.775 1.00 35.25 C ATOM 1031 C GLN A 68 -2.620 -17.152 4.305 1.00 3.20 C ATOM 1032 O GLN A 68 -1.676 -17.751 3.786 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.255 -17.937 6.668 1.00 75.11 C ATOM 1034 CG GLN A 68 -1.986 -17.566 8.125 1.00 72.43 C ATOM 1035 CD GLN A 68 -0.644 -16.877 8.333 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.114 -16.214 7.439 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -0.094 -17.021 9.527 1.00 13.54 N ATOM 0 H GLN A 68 -4.465 -16.730 6.684 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.772 -15.993 5.887 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.092 -18.635 6.628 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.386 -18.459 6.268 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -2.782 -16.911 8.479 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.022 -18.469 8.735 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -0.564 -17.578 10.241 1.00 13.54 H new ATOM 0 HE22 GLN A 68 0.800 -16.575 9.734 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.743 -16.863 3.655 1.00 70.13 N ATOM 1047 CA LEU A 69 -3.910 -17.127 2.224 1.00 22.31 C ATOM 1048 C LEU A 69 -3.794 -15.836 1.416 1.00 33.43 C ATOM 1049 O LEU A 69 -2.861 -15.662 0.630 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.258 -17.811 1.939 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.368 -19.274 2.406 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -6.755 -19.837 2.102 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.282 -20.131 1.756 1.00 42.22 C ATOM 0 H LEU A 69 -4.559 -16.442 4.099 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.111 -17.803 1.918 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.048 -17.234 2.420 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.445 -17.775 0.866 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.221 -19.298 3.486 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -6.810 -20.872 2.440 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.510 -19.245 2.620 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -6.937 -19.796 1.028 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.377 -21.161 2.099 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.393 -20.098 0.672 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.301 -19.746 2.032 1.00 42.22 H new ATOM 1065 N TRP A 70 -4.760 -14.939 1.617 1.00 4.00 N ATOM 1066 CA TRP A 70 -4.848 -13.687 0.862 1.00 33.32 C ATOM 1067 C TRP A 70 -3.977 -12.603 1.499 1.00 14.11 C ATOM 1068 O TRP A 70 -3.136 -11.989 0.841 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.314 -13.228 0.798 1.00 44.12 C ATOM 1070 CG TRP A 70 -6.550 -12.056 -0.112 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.417 -10.730 0.195 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -6.975 -12.109 -1.480 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -6.727 -9.961 -0.897 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.070 -10.783 -1.937 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -7.278 -13.151 -2.364 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -7.461 -10.468 -3.233 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -7.666 -12.835 -3.653 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -7.750 -11.505 -4.077 1.00 22.44 C ATOM 0 H TRP A 70 -5.502 -15.059 2.306 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.480 -13.860 -0.149 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -6.931 -14.063 0.465 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.646 -12.967 1.803 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -6.112 -10.345 1.157 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -6.706 -8.942 -0.929 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.210 -14.181 -2.046 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -7.534 -9.442 -3.562 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -7.908 -13.629 -4.344 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -8.049 -11.292 -5.093 1.00 22.44 H new ATOM 1089 N THR A 71 -4.193 -12.383 2.790 1.00 54.12 N ATOM 1090 CA THR A 71 -3.492 -11.350 3.545 1.00 14.01 C ATOM 1091 C THR A 71 -2.047 -11.766 3.859 1.00 15.51 C ATOM 1092 O THR A 71 -1.245 -10.951 4.316 1.00 20.13 O ATOM 1093 CB THR A 71 -4.250 -11.052 4.862 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.647 -10.874 4.579 1.00 21.02 O ATOM 1095 CG2 THR A 71 -3.711 -9.800 5.542 1.00 55.35 C ATOM 0 H THR A 71 -4.861 -12.917 3.345 1.00 54.12 H new ATOM 0 HA THR A 71 -3.458 -10.450 2.930 1.00 14.01 H new ATOM 0 HB THR A 71 -4.105 -11.896 5.536 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.128 -10.687 5.412 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.265 -9.619 6.463 1.00 55.35 H new ATOM 0 HG22 THR A 71 -2.655 -9.938 5.774 1.00 55.35 H new ATOM 0 HG23 THR A 71 -3.827 -8.945 4.875 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.740 -13.045 3.616 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.471 -13.664 4.026 1.00 73.31 C ATOM 1105 C ASP A 72 0.732 -12.766 3.741 1.00 64.32 C ATOM 1106 O ASP A 72 1.728 -12.800 4.473 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.268 -15.011 3.320 1.00 14.44 C ATOM 1108 CG ASP A 72 0.294 -14.883 1.909 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -0.339 -14.223 1.061 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.382 -15.441 1.641 1.00 33.45 O ATOM 0 H ASP A 72 -2.367 -13.684 3.127 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.537 -13.816 5.103 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.406 -15.626 3.916 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.222 -15.536 3.276 1.00 14.44 H new ATOM 1115 N MET A 73 0.636 -11.992 2.660 1.00 3.33 N ATOM 1116 CA MET A 73 1.678 -11.044 2.286 1.00 42.30 C ATOM 1117 C MET A 73 1.772 -9.933 3.330 1.00 21.21 C ATOM 1118 O MET A 73 1.250 -8.832 3.144 1.00 61.04 O ATOM 1119 CB MET A 73 1.410 -10.459 0.887 1.00 75.02 C ATOM 1120 CG MET A 73 2.512 -9.535 0.378 1.00 60.21 C ATOM 1121 SD MET A 73 2.213 -8.955 -1.306 1.00 34.12 S ATOM 1122 CE MET A 73 3.659 -7.930 -1.582 1.00 71.41 C ATOM 0 H MET A 73 -0.162 -12.006 2.025 1.00 3.33 H new ATOM 0 HA MET A 73 2.632 -11.571 2.250 1.00 42.30 H new ATOM 0 HB2 MET A 73 1.283 -11.279 0.180 1.00 75.02 H new ATOM 0 HB3 MET A 73 0.470 -9.908 0.909 1.00 75.02 H new ATOM 0 HG2 MET A 73 2.597 -8.676 1.044 1.00 60.21 H new ATOM 0 HG3 MET A 73 3.466 -10.061 0.413 1.00 60.21 H new ATOM 0 HE1 MET A 73 3.616 -7.502 -2.583 1.00 71.41 H new ATOM 0 HE2 MET A 73 3.682 -7.128 -0.845 1.00 71.41 H new ATOM 0 HE3 MET A 73 4.559 -8.537 -1.486 1.00 71.41 H new ATOM 1132 N VAL A 74 2.409 -10.262 4.445 1.00 33.41 N ATOM 1133 CA VAL A 74 2.580 -9.338 5.552 1.00 45.22 C ATOM 1134 C VAL A 74 3.636 -8.282 5.214 1.00 1.21 C ATOM 1135 O VAL A 74 4.697 -8.612 4.681 1.00 54.40 O ATOM 1136 CB VAL A 74 2.972 -10.105 6.846 1.00 10.10 C ATOM 1137 CG1 VAL A 74 4.211 -10.970 6.619 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.181 -9.146 8.016 1.00 71.12 C ATOM 0 H VAL A 74 2.822 -11.181 4.606 1.00 33.41 H new ATOM 0 HA VAL A 74 1.631 -8.831 5.726 1.00 45.22 H new ATOM 0 HB VAL A 74 2.144 -10.766 7.102 1.00 10.10 H new ATOM 0 HG11 VAL A 74 4.462 -11.495 7.541 1.00 23.42 H new ATOM 0 HG12 VAL A 74 4.009 -11.696 5.832 1.00 23.42 H new ATOM 0 HG13 VAL A 74 5.047 -10.337 6.323 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.454 -9.712 8.906 1.00 71.12 H new ATOM 0 HG22 VAL A 74 3.979 -8.444 7.773 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.259 -8.596 8.205 1.00 71.12 H new ATOM 1148 N PRO A 75 3.336 -6.992 5.484 1.00 55.42 N ATOM 1149 CA PRO A 75 4.279 -5.881 5.251 1.00 60.35 C ATOM 1150 C PRO A 75 5.492 -5.945 6.192 1.00 72.13 C ATOM 1151 O PRO A 75 5.807 -7.001 6.737 1.00 1.32 O ATOM 1152 CB PRO A 75 3.430 -4.619 5.530 1.00 71.04 C ATOM 1153 CG PRO A 75 2.010 -5.084 5.532 1.00 45.31 C ATOM 1154 CD PRO A 75 2.049 -6.507 6.011 1.00 22.00 C ATOM 0 HA PRO A 75 4.700 -5.904 4.246 1.00 60.35 H new ATOM 0 HB2 PRO A 75 3.697 -4.170 6.487 1.00 71.04 H new ATOM 0 HB3 PRO A 75 3.593 -3.860 4.765 1.00 71.04 H new ATOM 0 HG2 PRO A 75 1.397 -4.467 6.188 1.00 45.31 H new ATOM 0 HG3 PRO A 75 1.575 -5.018 4.535 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.008 -6.569 7.098 1.00 22.00 H new ATOM 0 HD3 PRO A 75 1.210 -7.087 5.626 1.00 22.00 H new ATOM 1162 N ALA A 76 6.163 -4.808 6.388 1.00 51.25 N ATOM 1163 CA ALA A 76 7.337 -4.733 7.262 1.00 24.45 C ATOM 1164 C ALA A 76 7.031 -5.272 8.663 1.00 43.13 C ATOM 1165 O ALA A 76 7.934 -5.713 9.380 1.00 43.44 O ATOM 1166 CB ALA A 76 7.843 -3.299 7.347 1.00 60.32 C ATOM 0 H ALA A 76 5.912 -3.921 5.951 1.00 51.25 H new ATOM 0 HA ALA A 76 8.115 -5.360 6.827 1.00 24.45 H new ATOM 0 HB1 ALA A 76 8.715 -3.259 8.000 1.00 60.32 H new ATOM 0 HB2 ALA A 76 8.118 -2.951 6.352 1.00 60.32 H new ATOM 0 HB3 ALA A 76 7.058 -2.660 7.751 1.00 60.32 H new ATOM 1172 N SER A 77 5.748 -5.254 9.034 1.00 71.53 N ATOM 1173 CA SER A 77 5.297 -5.773 10.325 1.00 24.45 C ATOM 1174 C SER A 77 5.652 -7.260 10.481 1.00 52.41 C ATOM 1175 O SER A 77 5.502 -7.826 11.560 1.00 1.13 O ATOM 1176 CB SER A 77 3.782 -5.553 10.484 1.00 43.23 C ATOM 1177 OG SER A 77 3.312 -6.003 11.746 1.00 75.44 O ATOM 0 H SER A 77 4.998 -4.882 8.451 1.00 71.53 H new ATOM 0 HA SER A 77 5.815 -5.226 11.113 1.00 24.45 H new ATOM 0 HB2 SER A 77 3.555 -4.493 10.369 1.00 43.23 H new ATOM 0 HB3 SER A 77 3.253 -6.081 9.690 1.00 43.23 H new ATOM 0 HG SER A 77 3.935 -6.666 12.110 1.00 75.44 H new ATOM 1183 N VAL A 78 6.129 -7.892 9.404 1.00 50.43 N ATOM 1184 CA VAL A 78 6.635 -9.260 9.482 1.00 1.34 C ATOM 1185 C VAL A 78 7.703 -9.358 10.572 1.00 72.15 C ATOM 1186 O VAL A 78 7.690 -10.272 11.396 1.00 61.33 O ATOM 1187 CB VAL A 78 7.219 -9.740 8.124 1.00 12.41 C ATOM 1188 CG1 VAL A 78 8.347 -8.827 7.644 1.00 13.13 C ATOM 1189 CG2 VAL A 78 7.692 -11.193 8.218 1.00 22.14 C ATOM 0 H VAL A 78 6.174 -7.478 8.473 1.00 50.43 H new ATOM 0 HA VAL A 78 5.796 -9.910 9.729 1.00 1.34 H new ATOM 0 HB VAL A 78 6.420 -9.689 7.384 1.00 12.41 H new ATOM 0 HG11 VAL A 78 8.731 -9.193 6.692 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.966 -7.814 7.516 1.00 13.13 H new ATOM 0 HG13 VAL A 78 9.150 -8.822 8.381 1.00 13.13 H new ATOM 0 HG21 VAL A 78 8.097 -11.507 7.256 1.00 22.14 H new ATOM 0 HG22 VAL A 78 8.466 -11.275 8.981 1.00 22.14 H new ATOM 0 HG23 VAL A 78 6.851 -11.833 8.484 1.00 22.14 H new ATOM 1199 N ARG A 79 8.599 -8.377 10.596 1.00 61.45 N ATOM 1200 CA ARG A 79 9.640 -8.313 11.614 1.00 14.22 C ATOM 1201 C ARG A 79 9.018 -8.078 12.984 1.00 51.30 C ATOM 1202 O ARG A 79 9.511 -8.567 13.994 1.00 43.03 O ATOM 1203 CB ARG A 79 10.632 -7.190 11.295 1.00 63.44 C ATOM 1204 CG ARG A 79 11.493 -7.452 10.066 1.00 63.40 C ATOM 1205 CD ARG A 79 12.453 -6.297 9.808 1.00 74.44 C ATOM 1206 NE ARG A 79 13.190 -5.926 11.021 1.00 53.13 N ATOM 1207 CZ ARG A 79 14.489 -6.154 11.221 1.00 42.11 C ATOM 1208 NH1 ARG A 79 15.219 -6.747 10.281 1.00 73.33 N ATOM 1209 NH2 ARG A 79 15.058 -5.785 12.362 1.00 64.44 N ATOM 0 H ARG A 79 8.625 -7.614 9.920 1.00 61.45 H new ATOM 0 HA ARG A 79 10.175 -9.263 11.622 1.00 14.22 H new ATOM 0 HB2 ARG A 79 10.079 -6.262 11.147 1.00 63.44 H new ATOM 0 HB3 ARG A 79 11.283 -7.039 12.156 1.00 63.44 H new ATOM 0 HG2 ARG A 79 12.058 -8.374 10.205 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.854 -7.598 9.195 1.00 63.40 H new ATOM 0 HD2 ARG A 79 13.158 -6.577 9.025 1.00 74.44 H new ATOM 0 HD3 ARG A 79 11.896 -5.435 9.442 1.00 74.44 H new ATOM 0 HE ARG A 79 12.671 -5.460 11.765 1.00 53.13 H new ATOM 0 HH11 ARG A 79 14.786 -7.030 9.402 1.00 73.33 H new ATOM 0 HH12 ARG A 79 16.212 -6.919 10.439 1.00 73.33 H new ATOM 0 HH21 ARG A 79 14.502 -5.328 13.085 1.00 64.44 H new ATOM 0 HH22 ARG A 79 16.051 -5.959 12.516 1.00 64.44 H new ATOM 1223 N GLU A 80 7.918 -7.343 12.992 1.00 45.44 N ATOM 1224 CA GLU A 80 7.229 -6.977 14.222 1.00 22.12 C ATOM 1225 C GLU A 80 6.417 -8.151 14.775 1.00 4.33 C ATOM 1226 O GLU A 80 6.204 -8.260 15.983 1.00 13.03 O ATOM 1227 CB GLU A 80 6.314 -5.777 13.950 1.00 62.53 C ATOM 1228 CG GLU A 80 5.426 -5.395 15.123 1.00 73.11 C ATOM 1229 CD GLU A 80 4.659 -4.107 14.892 1.00 33.40 C ATOM 1230 OE1 GLU A 80 5.274 -3.021 14.976 1.00 51.44 O ATOM 1231 OE2 GLU A 80 3.442 -4.176 14.642 1.00 33.42 O ATOM 0 H GLU A 80 7.476 -6.982 12.146 1.00 45.44 H new ATOM 0 HA GLU A 80 7.972 -6.709 14.973 1.00 22.12 H new ATOM 0 HB2 GLU A 80 6.929 -4.919 13.679 1.00 62.53 H new ATOM 0 HB3 GLU A 80 5.684 -6.002 13.089 1.00 62.53 H new ATOM 0 HG2 GLU A 80 4.719 -6.203 15.315 1.00 73.11 H new ATOM 0 HG3 GLU A 80 6.040 -5.290 16.017 1.00 73.11 H new ATOM 1238 N HIS A 81 5.965 -9.026 13.885 1.00 54.53 N ATOM 1239 CA HIS A 81 5.108 -10.143 14.273 1.00 0.23 C ATOM 1240 C HIS A 81 5.950 -11.342 14.712 1.00 2.25 C ATOM 1241 O HIS A 81 5.476 -12.204 15.453 1.00 34.22 O ATOM 1242 CB HIS A 81 4.188 -10.537 13.106 1.00 32.20 C ATOM 1243 CG HIS A 81 2.963 -11.298 13.527 1.00 2.42 C ATOM 1244 ND1 HIS A 81 2.936 -12.666 13.698 1.00 13.53 N ATOM 1245 CD2 HIS A 81 1.707 -10.867 13.800 1.00 0.35 C ATOM 1246 CE1 HIS A 81 1.721 -13.039 14.054 1.00 43.44 C ATOM 1247 NE2 HIS A 81 0.957 -11.968 14.123 1.00 2.53 N ATOM 0 H HIS A 81 6.177 -8.985 12.888 1.00 54.53 H new ATOM 0 HA HIS A 81 4.492 -9.828 15.116 1.00 0.23 H new ATOM 0 HB2 HIS A 81 3.880 -9.634 12.579 1.00 32.20 H new ATOM 0 HB3 HIS A 81 4.754 -11.142 12.398 1.00 32.20 H new ATOM 0 HD2 HIS A 81 1.361 -9.844 13.769 1.00 0.35 H new ATOM 0 HE1 HIS A 81 1.406 -14.052 14.255 1.00 43.44 H new ATOM 0 HE2 HIS A 81 -0.031 -11.959 14.376 1.00 2.53 H new ATOM 1256 N LEU A 82 7.192 -11.397 14.235 1.00 52.02 N ATOM 1257 CA LEU A 82 8.111 -12.484 14.581 1.00 15.11 C ATOM 1258 C LEU A 82 9.091 -12.045 15.673 1.00 65.10 C ATOM 1259 O LEU A 82 9.295 -12.756 16.659 1.00 73.43 O ATOM 1260 CB LEU A 82 8.884 -12.963 13.336 1.00 12.10 C ATOM 1261 CG LEU A 82 8.119 -13.905 12.382 1.00 72.24 C ATOM 1262 CD1 LEU A 82 6.863 -13.241 11.823 1.00 41.43 C ATOM 1263 CD2 LEU A 82 9.028 -14.373 11.244 1.00 53.35 C ATOM 0 H LEU A 82 7.588 -10.699 13.605 1.00 52.02 H new ATOM 0 HA LEU A 82 7.517 -13.314 14.963 1.00 15.11 H new ATOM 0 HB2 LEU A 82 9.201 -12.087 12.771 1.00 12.10 H new ATOM 0 HB3 LEU A 82 9.788 -13.472 13.669 1.00 12.10 H new ATOM 0 HG LEU A 82 7.805 -14.774 12.960 1.00 72.24 H new ATOM 0 HD11 LEU A 82 6.351 -13.934 11.156 1.00 41.43 H new ATOM 0 HD12 LEU A 82 6.199 -12.970 12.644 1.00 41.43 H new ATOM 0 HD13 LEU A 82 7.141 -12.344 11.270 1.00 41.43 H new ATOM 0 HD21 LEU A 82 8.471 -15.036 10.582 1.00 53.35 H new ATOM 0 HD22 LEU A 82 9.379 -13.509 10.680 1.00 53.35 H new ATOM 0 HD23 LEU A 82 9.883 -14.908 11.658 1.00 53.35 H new ATOM 1275 N ASN A 83 9.692 -10.873 15.490 1.00 23.21 N ATOM 1276 CA ASN A 83 10.697 -10.352 16.418 1.00 34.30 C ATOM 1277 C ASN A 83 10.063 -9.360 17.390 1.00 64.54 C ATOM 1278 O ASN A 83 9.077 -8.694 17.058 1.00 24.35 O ATOM 1279 CB ASN A 83 11.831 -9.667 15.633 1.00 5.33 C ATOM 1280 CG ASN A 83 12.907 -9.073 16.531 1.00 13.22 C ATOM 1281 OD1 ASN A 83 13.190 -9.588 17.611 1.00 20.11 O ATOM 1282 ND2 ASN A 83 13.519 -7.982 16.087 1.00 42.20 N ATOM 0 H ASN A 83 9.499 -10.258 14.699 1.00 23.21 H new ATOM 0 HA ASN A 83 11.109 -11.184 16.989 1.00 34.30 H new ATOM 0 HB2 ASN A 83 12.288 -10.392 14.960 1.00 5.33 H new ATOM 0 HB3 ASN A 83 11.409 -8.877 15.011 1.00 5.33 H new ATOM 0 HD21 ASN A 83 14.250 -7.544 16.647 1.00 42.20 H new ATOM 0 HD22 ASN A 83 13.258 -7.582 15.186 1.00 42.20 H new ATOM 1289 N GLN A 84 10.625 -9.268 18.589 1.00 54.12 N ATOM 1290 CA GLN A 84 10.137 -8.336 19.594 1.00 32.44 C ATOM 1291 C GLN A 84 10.452 -6.897 19.173 1.00 35.52 C ATOM 1292 O GLN A 84 11.543 -6.381 19.419 1.00 62.41 O ATOM 1293 CB GLN A 84 10.742 -8.659 20.973 1.00 74.55 C ATOM 1294 CG GLN A 84 12.267 -8.699 20.995 1.00 74.02 C ATOM 1295 CD GLN A 84 12.833 -8.950 22.383 1.00 54.40 C ATOM 1296 OE1 GLN A 84 12.231 -9.644 23.204 1.00 71.43 O ATOM 1297 NE2 GLN A 84 13.992 -8.376 22.657 1.00 3.04 N ATOM 0 H GLN A 84 11.422 -9.830 18.888 1.00 54.12 H new ATOM 0 HA GLN A 84 9.055 -8.439 19.675 1.00 32.44 H new ATOM 0 HB2 GLN A 84 10.399 -7.914 21.691 1.00 74.55 H new ATOM 0 HB3 GLN A 84 10.360 -9.623 21.308 1.00 74.55 H new ATOM 0 HG2 GLN A 84 12.615 -9.481 20.320 1.00 74.02 H new ATOM 0 HG3 GLN A 84 12.656 -7.754 20.615 1.00 74.02 H new ATOM 0 HE21 GLN A 84 14.460 -7.808 21.950 1.00 3.04 H new ATOM 0 HE22 GLN A 84 14.418 -8.501 23.575 1.00 3.04 H new ATOM 1306 N HIS A 85 9.502 -6.279 18.482 1.00 50.13 N ATOM 1307 CA HIS A 85 9.654 -4.908 17.997 1.00 23.14 C ATOM 1308 C HIS A 85 9.868 -3.928 19.152 1.00 22.41 C ATOM 1309 O HIS A 85 8.914 -3.412 19.740 1.00 2.45 O ATOM 1310 CB HIS A 85 8.442 -4.492 17.144 1.00 52.30 C ATOM 1311 CG HIS A 85 7.118 -4.543 17.859 1.00 34.32 C ATOM 1312 ND1 HIS A 85 6.127 -3.601 17.678 1.00 73.50 N ATOM 1313 CD2 HIS A 85 6.601 -5.458 18.720 1.00 52.32 C ATOM 1314 CE1 HIS A 85 5.069 -3.931 18.393 1.00 52.11 C ATOM 1315 NE2 HIS A 85 5.329 -5.053 19.033 1.00 52.35 N ATOM 0 H HIS A 85 8.609 -6.709 18.242 1.00 50.13 H new ATOM 0 HA HIS A 85 10.543 -4.876 17.367 1.00 23.14 H new ATOM 0 HB2 HIS A 85 8.603 -3.477 16.780 1.00 52.30 H new ATOM 0 HB3 HIS A 85 8.392 -5.140 16.269 1.00 52.30 H new ATOM 0 HD1 HIS A 85 6.201 -2.776 17.083 1.00 73.50 H new ATOM 0 HD2 HIS A 85 7.100 -6.342 19.090 1.00 52.32 H new ATOM 0 HE1 HIS A 85 4.145 -3.375 18.445 1.00 52.11 H new ATOM 1324 N SER A 86 11.130 -3.703 19.493 1.00 2.41 N ATOM 1325 CA SER A 86 11.485 -2.746 20.528 1.00 53.33 C ATOM 1326 C SER A 86 11.334 -1.323 19.992 1.00 3.22 C ATOM 1327 O SER A 86 12.286 -0.737 19.468 1.00 51.12 O ATOM 1328 CB SER A 86 12.919 -2.998 21.009 1.00 53.13 C ATOM 1329 OG SER A 86 13.083 -4.343 21.431 1.00 2.23 O ATOM 0 H SER A 86 11.927 -4.174 19.065 1.00 2.41 H new ATOM 0 HA SER A 86 10.813 -2.869 21.378 1.00 53.33 H new ATOM 0 HB2 SER A 86 13.621 -2.777 20.205 1.00 53.13 H new ATOM 0 HB3 SER A 86 13.155 -2.323 21.832 1.00 53.13 H new ATOM 0 HG SER A 86 14.005 -4.481 21.732 1.00 2.23 H new ATOM 1335 N GLY A 87 10.116 -0.796 20.076 1.00 74.42 N ATOM 1336 CA GLY A 87 9.841 0.545 19.600 1.00 31.33 C ATOM 1337 C GLY A 87 8.395 0.705 19.160 1.00 32.32 C ATOM 1338 O GLY A 87 7.480 0.382 19.924 1.00 53.13 O ATOM 0 H GLY A 87 9.309 -1.280 20.469 1.00 74.42 H new ATOM 0 HA2 GLY A 87 10.062 1.263 20.390 1.00 31.33 H new ATOM 0 HA3 GLY A 87 10.502 0.777 18.765 1.00 31.33 H new ATOM 1342 N PRO A 88 8.154 1.182 17.918 1.00 70.20 N ATOM 1343 CA PRO A 88 6.796 1.438 17.408 1.00 73.53 C ATOM 1344 C PRO A 88 5.982 0.152 17.244 1.00 3.41 C ATOM 1345 O PRO A 88 6.522 -0.954 17.337 1.00 45.03 O ATOM 1346 CB PRO A 88 7.044 2.104 16.043 1.00 5.34 C ATOM 1347 CG PRO A 88 8.392 1.618 15.631 1.00 11.52 C ATOM 1348 CD PRO A 88 9.185 1.491 16.905 1.00 42.10 C ATOM 0 HA PRO A 88 6.213 2.053 18.093 1.00 73.53 H new ATOM 0 HB2 PRO A 88 6.281 1.820 15.318 1.00 5.34 H new ATOM 0 HB3 PRO A 88 7.021 3.191 16.121 1.00 5.34 H new ATOM 0 HG2 PRO A 88 8.322 0.660 15.116 1.00 11.52 H new ATOM 0 HG3 PRO A 88 8.867 2.317 14.942 1.00 11.52 H new ATOM 0 HD2 PRO A 88 9.932 0.700 16.837 1.00 42.10 H new ATOM 0 HD3 PRO A 88 9.717 2.412 17.141 1.00 42.10 H new ATOM 1356 N GLY A 89 4.685 0.307 16.991 1.00 45.11 N ATOM 1357 CA GLY A 89 3.799 -0.836 16.844 1.00 73.43 C ATOM 1358 C GLY A 89 2.772 -0.629 15.752 1.00 22.31 C ATOM 1359 O GLY A 89 1.753 0.031 15.970 1.00 11.13 O ATOM 0 H GLY A 89 4.228 1.213 16.884 1.00 45.11 H new ATOM 0 HA2 GLY A 89 4.390 -1.724 16.621 1.00 73.43 H new ATOM 0 HA3 GLY A 89 3.289 -1.022 17.789 1.00 73.43 H new ATOM 1363 N ILE A 90 3.037 -1.188 14.575 1.00 5.14 N ATOM 1364 CA ILE A 90 2.133 -1.074 13.436 1.00 21.42 C ATOM 1365 C ILE A 90 1.405 -2.401 13.228 1.00 23.35 C ATOM 1366 O ILE A 90 1.770 -3.204 12.364 1.00 33.33 O ATOM 1367 CB ILE A 90 2.893 -0.670 12.143 1.00 44.04 C ATOM 1368 CG1 ILE A 90 3.712 0.610 12.388 1.00 14.02 C ATOM 1369 CG2 ILE A 90 1.915 -0.471 10.982 1.00 43.22 C ATOM 1370 CD1 ILE A 90 4.519 1.066 11.185 1.00 22.10 C ATOM 0 H ILE A 90 3.880 -1.730 14.385 1.00 5.14 H new ATOM 0 HA ILE A 90 1.409 -0.288 13.651 1.00 21.42 H new ATOM 0 HB ILE A 90 3.577 -1.475 11.875 1.00 44.04 H new ATOM 0 HG12 ILE A 90 3.035 1.411 12.683 1.00 14.02 H new ATOM 0 HG13 ILE A 90 4.390 0.441 13.225 1.00 14.02 H new ATOM 0 HG21 ILE A 90 2.467 -0.188 10.086 1.00 43.22 H new ATOM 0 HG22 ILE A 90 1.375 -1.400 10.798 1.00 43.22 H new ATOM 0 HG23 ILE A 90 1.206 0.317 11.235 1.00 43.22 H new ATOM 0 HD11 ILE A 90 5.068 1.973 11.438 1.00 22.10 H new ATOM 0 HD12 ILE A 90 5.223 0.283 10.901 1.00 22.10 H new ATOM 0 HD13 ILE A 90 3.847 1.269 10.352 1.00 22.10 H new ATOM 1382 N ASP A 91 0.366 -2.613 14.032 1.00 1.23 N ATOM 1383 CA ASP A 91 -0.368 -3.882 14.075 1.00 74.51 C ATOM 1384 C ASP A 91 -1.233 -4.089 12.829 1.00 2.04 C ATOM 1385 O ASP A 91 -2.028 -5.034 12.762 1.00 62.54 O ATOM 1386 CB ASP A 91 -1.249 -3.924 15.330 1.00 44.12 C ATOM 1387 CG ASP A 91 -2.345 -2.869 15.309 1.00 15.41 C ATOM 1388 OD1 ASP A 91 -2.028 -1.671 15.487 1.00 43.31 O ATOM 1389 OD2 ASP A 91 -3.531 -3.230 15.122 1.00 24.45 O ATOM 0 H ASP A 91 0.005 -1.909 14.676 1.00 1.23 H new ATOM 0 HA ASP A 91 0.365 -4.688 14.104 1.00 74.51 H new ATOM 0 HB2 ASP A 91 -1.702 -4.912 15.419 1.00 44.12 H new ATOM 0 HB3 ASP A 91 -0.626 -3.778 16.212 1.00 44.12 H new ATOM 1394 N TYR A 92 -1.074 -3.212 11.849 1.00 33.23 N ATOM 1395 CA TYR A 92 -1.833 -3.295 10.609 1.00 55.10 C ATOM 1396 C TYR A 92 -1.195 -4.325 9.683 1.00 54.42 C ATOM 1397 O TYR A 92 -0.529 -3.981 8.703 1.00 72.11 O ATOM 1398 CB TYR A 92 -1.910 -1.918 9.935 1.00 14.33 C ATOM 1399 CG TYR A 92 -2.510 -0.855 10.833 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -1.720 -0.164 11.743 1.00 64.52 C ATOM 1401 CD2 TYR A 92 -3.865 -0.544 10.775 1.00 74.10 C ATOM 1402 CE1 TYR A 92 -2.258 0.798 12.569 1.00 43.34 C ATOM 1403 CE2 TYR A 92 -4.410 0.423 11.598 1.00 61.43 C ATOM 1404 CZ TYR A 92 -3.601 1.091 12.493 1.00 34.30 C ATOM 1405 OH TYR A 92 -4.139 2.053 13.318 1.00 4.12 O ATOM 0 H TYR A 92 -0.421 -2.429 11.889 1.00 33.23 H new ATOM 0 HA TYR A 92 -2.851 -3.614 10.832 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -0.909 -1.610 9.634 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -2.506 -1.997 9.026 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -0.665 -0.385 11.804 1.00 64.52 H new ATOM 0 HD2 TYR A 92 -4.501 -1.067 10.076 1.00 74.10 H new ATOM 0 HE1 TYR A 92 -1.628 1.321 13.274 1.00 43.34 H new ATOM 0 HE2 TYR A 92 -5.463 0.654 11.541 1.00 61.43 H new ATOM 0 HH TYR A 92 -5.098 2.139 13.138 1.00 4.12 H new ATOM 1415 N ALA A 93 -1.380 -5.593 10.035 1.00 11.13 N ATOM 1416 CA ALA A 93 -0.818 -6.707 9.281 1.00 53.10 C ATOM 1417 C ALA A 93 -1.705 -7.939 9.437 1.00 2.23 C ATOM 1418 O ALA A 93 -2.866 -7.826 9.840 1.00 73.52 O ATOM 1419 CB ALA A 93 0.602 -7.000 9.759 1.00 75.12 C ATOM 0 H ALA A 93 -1.923 -5.877 10.850 1.00 11.13 H new ATOM 0 HA ALA A 93 -0.777 -6.441 8.225 1.00 53.10 H new ATOM 0 HB1 ALA A 93 1.013 -7.834 9.190 1.00 75.12 H new ATOM 0 HB2 ALA A 93 1.225 -6.118 9.611 1.00 75.12 H new ATOM 0 HB3 ALA A 93 0.584 -7.258 10.818 1.00 75.12 H new ATOM 1425 N VAL A 94 -1.164 -9.105 9.104 1.00 65.13 N ATOM 1426 CA VAL A 94 -1.887 -10.358 9.259 1.00 73.34 C ATOM 1427 C VAL A 94 -1.918 -10.770 10.736 1.00 64.21 C ATOM 1428 O VAL A 94 -0.913 -10.640 11.445 1.00 24.50 O ATOM 1429 CB VAL A 94 -1.262 -11.477 8.379 1.00 52.51 C ATOM 1430 CG1 VAL A 94 0.195 -11.744 8.748 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -2.082 -12.759 8.464 1.00 41.25 C ATOM 0 H VAL A 94 -0.223 -9.207 8.724 1.00 65.13 H new ATOM 0 HA VAL A 94 -2.912 -10.210 8.920 1.00 73.34 H new ATOM 0 HB VAL A 94 -1.279 -11.123 7.348 1.00 52.51 H new ATOM 0 HG11 VAL A 94 0.593 -12.532 8.109 1.00 75.41 H new ATOM 0 HG12 VAL A 94 0.778 -10.834 8.608 1.00 75.41 H new ATOM 0 HG13 VAL A 94 0.255 -12.056 9.791 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.624 -13.526 7.840 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -2.113 -13.103 9.498 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -3.097 -12.566 8.116 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.088 -11.222 11.191 1.00 64.15 N ATOM 1442 CA ARG A 95 -3.303 -11.573 12.595 1.00 53.51 C ATOM 1443 C ARG A 95 -2.408 -12.742 13.014 1.00 63.34 C ATOM 1444 O ARG A 95 -1.765 -12.654 14.080 1.00 22.32 O ATOM 1445 CB ARG A 95 -4.799 -11.882 12.856 1.00 22.34 C ATOM 1446 CG ARG A 95 -5.680 -10.629 12.841 1.00 23.40 C ATOM 1447 CD ARG A 95 -7.159 -10.975 12.908 1.00 44.34 C ATOM 1448 NE ARG A 95 -7.544 -11.848 11.803 1.00 74.54 N ATOM 1449 CZ ARG A 95 -8.489 -11.575 10.908 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -9.208 -10.464 11.003 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -8.707 -12.425 9.912 1.00 42.22 N ATOM 1452 OXT ARG A 95 -2.318 -13.729 12.263 1.00 0.00 O ATOM 0 H ARG A 95 -3.909 -11.354 10.600 1.00 64.15 H new ATOM 0 HA ARG A 95 -3.026 -10.716 13.208 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.157 -12.581 12.100 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -4.899 -12.378 13.821 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -5.418 -9.991 13.685 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -5.482 -10.057 11.935 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -7.379 -11.465 13.857 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -7.752 -10.061 12.877 1.00 44.34 H new ATOM 0 HE ARG A 95 -7.050 -12.736 11.710 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -9.038 -9.810 11.767 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -9.931 -10.263 10.312 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -8.152 -13.278 9.839 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -9.429 -12.225 9.220 1.00 42.22 H new TER 1466 ARG A 95