USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 903 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00628 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -136:sc= -0.261 (180deg=-1.42!) USER MOD Single : A 4 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0.006 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.867 (180deg=-1.49) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.7) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -1.34 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -1.31 (180deg=-2.98!) USER MOD Single : A 43 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 44 SER OG : rot 92:sc= 0.717 USER MOD Single : A 46 SER OG : rot 93:sc= -0.105 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= -4.4! C(o=-4.4!,f=-14!) USER MOD Single : A 67 SER OG : rot -73:sc= 0.182 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 76 THR OG1 : rot 96:sc= 0.525 USER MOD Single : A 78 GLN : amide:sc= -1.75 X(o=-1.7,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.48! K(o=-2.5!,f=-0.78) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.12! K(o=-3.1!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= -1.77! (180deg=-1.9!) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.172 (180deg=-0.632) USER MOD Single : A 100 THR OG1 : rot 77:sc= 0.00819 USER MOD Single : A 102 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.4!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.982 -1.066 10.264 1.00 1.04 N ATOM 2 CA MET A 1 -7.733 -1.414 11.000 1.00 0.78 C ATOM 3 C MET A 1 -6.564 -1.459 10.012 1.00 0.57 C ATOM 4 O MET A 1 -6.663 -2.028 8.944 1.00 0.63 O ATOM 5 CB MET A 1 -7.900 -2.784 11.668 1.00 0.79 C ATOM 6 CG MET A 1 -6.666 -3.106 12.517 1.00 1.45 C ATOM 7 SD MET A 1 -6.799 -4.796 13.157 1.00 2.32 S ATOM 8 CE MET A 1 -7.780 -4.415 14.630 1.00 2.88 C ATOM 0 H1 MET A 1 -9.768 -1.646 10.620 1.00 1.04 H new ATOM 0 H2 MET A 1 -9.201 -0.060 10.409 1.00 1.04 H new ATOM 0 H3 MET A 1 -8.849 -1.249 9.249 1.00 1.04 H new ATOM 0 HA MET A 1 -7.534 -0.664 11.765 1.00 0.78 H new ATOM 0 HB2 MET A 1 -8.793 -2.787 12.293 1.00 0.79 H new ATOM 0 HB3 MET A 1 -8.040 -3.553 10.909 1.00 0.79 H new ATOM 0 HG2 MET A 1 -5.762 -3.003 11.917 1.00 1.45 H new ATOM 0 HG3 MET A 1 -6.584 -2.398 13.342 1.00 1.45 H new ATOM 0 HE1 MET A 1 -7.980 -5.334 15.182 1.00 2.88 H new ATOM 0 HE2 MET A 1 -7.228 -3.723 15.266 1.00 2.88 H new ATOM 0 HE3 MET A 1 -8.724 -3.959 14.331 1.00 2.88 H new ATOM 20 N VAL A 2 -5.452 -0.865 10.364 1.00 0.41 N ATOM 21 CA VAL A 2 -4.265 -0.862 9.448 1.00 0.28 C ATOM 22 C VAL A 2 -3.282 -1.958 9.878 1.00 0.23 C ATOM 23 O VAL A 2 -3.230 -2.336 11.032 1.00 0.24 O ATOM 24 CB VAL A 2 -3.577 0.503 9.533 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.304 0.500 8.681 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.532 1.578 9.011 1.00 0.40 C ATOM 0 H VAL A 2 -5.312 -0.379 11.250 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.588 -1.051 8.424 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.313 0.711 10.570 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.820 1.474 8.746 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.623 -0.269 9.047 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.562 0.292 7.643 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -4.049 2.553 9.069 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.791 1.362 7.975 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.438 1.586 9.617 1.00 0.40 H new ATOM 36 N LYS A 3 -2.505 -2.473 8.953 1.00 0.20 N ATOM 37 CA LYS A 3 -1.514 -3.547 9.284 1.00 0.18 C ATOM 38 C LYS A 3 -0.151 -3.161 8.724 1.00 0.15 C ATOM 39 O LYS A 3 -0.001 -2.920 7.541 1.00 0.16 O ATOM 40 CB LYS A 3 -1.970 -4.867 8.649 1.00 0.19 C ATOM 41 CG LYS A 3 -0.962 -5.980 8.978 1.00 0.20 C ATOM 42 CD LYS A 3 -1.536 -7.357 8.594 1.00 0.81 C ATOM 43 CE LYS A 3 -2.412 -7.904 9.727 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.605 -8.003 10.976 1.00 1.67 N ATOM 0 H LYS A 3 -2.516 -2.191 7.973 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.445 -3.665 10.365 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.958 -5.138 9.021 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -2.057 -4.750 7.569 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.030 -5.805 8.441 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.725 -5.962 10.042 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -2.124 -7.271 7.680 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.723 -8.052 8.386 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -3.269 -7.250 9.886 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -2.805 -8.884 9.457 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -1.799 -8.911 11.444 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.594 -7.943 10.741 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.859 -7.223 11.616 1.00 1.67 H new ATOM 58 N GLN A 4 0.849 -3.109 9.561 1.00 0.15 N ATOM 59 CA GLN A 4 2.210 -2.744 9.077 1.00 0.14 C ATOM 60 C GLN A 4 2.970 -4.021 8.745 1.00 0.12 C ATOM 61 O GLN A 4 3.113 -4.906 9.567 1.00 0.13 O ATOM 62 CB GLN A 4 2.958 -1.979 10.176 1.00 0.16 C ATOM 63 CG GLN A 4 4.350 -1.574 9.675 1.00 0.17 C ATOM 64 CD GLN A 4 5.098 -0.836 10.787 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.944 -1.150 11.951 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.909 0.138 10.474 1.00 0.31 N ATOM 0 H GLN A 4 0.782 -3.304 10.560 1.00 0.15 H new ATOM 0 HA GLN A 4 2.131 -2.114 8.191 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.393 -1.092 10.463 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.049 -2.601 11.067 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.910 -2.458 9.370 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.260 -0.935 8.796 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.037 0.401 9.497 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.414 0.636 11.207 1.00 0.31 H new ATOM 75 N ILE A 5 3.470 -4.118 7.548 1.00 0.10 N ATOM 76 CA ILE A 5 4.238 -5.324 7.143 1.00 0.10 C ATOM 77 C ILE A 5 5.730 -5.002 7.240 1.00 0.10 C ATOM 78 O ILE A 5 6.240 -4.188 6.494 1.00 0.11 O ATOM 79 CB ILE A 5 3.904 -5.649 5.688 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.378 -5.690 5.479 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.519 -6.992 5.310 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.730 -6.810 6.307 1.00 0.19 C ATOM 0 H ILE A 5 3.378 -3.405 6.825 1.00 0.10 H new ATOM 0 HA ILE A 5 3.988 -6.168 7.786 1.00 0.10 H new ATOM 0 HB ILE A 5 4.318 -4.869 5.049 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.945 -4.730 5.760 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.158 -5.842 4.422 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.280 -7.222 4.272 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.601 -6.944 5.431 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.116 -7.772 5.957 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.653 -6.812 6.137 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.146 -7.772 6.007 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.930 -6.642 7.365 1.00 0.19 H new ATOM 94 N GLU A 6 6.440 -5.632 8.140 1.00 0.11 N ATOM 95 CA GLU A 6 7.906 -5.357 8.267 1.00 0.13 C ATOM 96 C GLU A 6 8.703 -6.441 7.545 1.00 0.12 C ATOM 97 O GLU A 6 9.916 -6.402 7.506 1.00 0.13 O ATOM 98 CB GLU A 6 8.303 -5.355 9.746 1.00 0.15 C ATOM 99 CG GLU A 6 7.530 -4.268 10.497 1.00 0.17 C ATOM 100 CD GLU A 6 8.102 -2.894 10.133 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.032 -2.851 9.343 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.603 -1.909 10.651 1.00 2.25 O ATOM 0 H GLU A 6 6.071 -6.324 8.792 1.00 0.11 H new ATOM 0 HA GLU A 6 8.122 -4.385 7.823 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.096 -6.330 10.187 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.375 -5.182 9.843 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.472 -4.314 10.238 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.603 -4.431 11.572 1.00 0.17 H new ATOM 109 N SER A 7 8.041 -7.408 6.972 1.00 0.12 N ATOM 110 CA SER A 7 8.788 -8.488 6.259 1.00 0.13 C ATOM 111 C SER A 7 7.917 -9.142 5.192 1.00 0.12 C ATOM 112 O SER A 7 6.707 -9.164 5.287 1.00 0.12 O ATOM 113 CB SER A 7 9.217 -9.552 7.272 1.00 0.15 C ATOM 114 OG SER A 7 8.067 -10.077 7.924 1.00 0.15 O ATOM 0 H SER A 7 7.025 -7.499 6.965 1.00 0.12 H new ATOM 0 HA SER A 7 9.659 -8.046 5.775 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.759 -10.352 6.768 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.897 -9.118 8.005 1.00 0.15 H new ATOM 0 HG SER A 7 8.341 -10.760 8.572 1.00 0.15 H new ATOM 120 N LYS A 8 8.535 -9.702 4.187 1.00 0.14 N ATOM 121 CA LYS A 8 7.761 -10.388 3.116 1.00 0.15 C ATOM 122 C LYS A 8 6.998 -11.536 3.753 1.00 0.15 C ATOM 123 O LYS A 8 5.903 -11.875 3.352 1.00 0.16 O ATOM 124 CB LYS A 8 8.720 -10.942 2.065 1.00 0.18 C ATOM 125 CG LYS A 8 7.922 -11.420 0.855 1.00 0.21 C ATOM 126 CD LYS A 8 8.869 -11.967 -0.222 1.00 0.43 C ATOM 127 CE LYS A 8 9.680 -13.150 0.317 1.00 0.80 C ATOM 128 NZ LYS A 8 8.824 -13.986 1.206 1.00 1.65 N ATOM 0 H LYS A 8 9.547 -9.713 4.063 1.00 0.14 H new ATOM 0 HA LYS A 8 7.075 -9.689 2.637 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.432 -10.173 1.765 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.298 -11.766 2.482 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.218 -12.195 1.158 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.335 -10.596 0.449 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.294 -12.281 -1.093 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.544 -11.178 -0.554 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.057 -13.751 -0.510 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.547 -12.787 0.868 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.212 -14.950 1.255 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.805 -13.571 2.160 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 7.857 -14.021 0.824 1.00 1.65 H new ATOM 142 N THR A 9 7.577 -12.143 4.748 1.00 0.15 N ATOM 143 CA THR A 9 6.888 -13.281 5.405 1.00 0.17 C ATOM 144 C THR A 9 5.533 -12.800 5.913 1.00 0.16 C ATOM 145 O THR A 9 4.522 -13.453 5.736 1.00 0.17 O ATOM 146 CB THR A 9 7.734 -13.784 6.577 1.00 0.19 C ATOM 147 OG1 THR A 9 9.043 -14.091 6.115 1.00 0.22 O ATOM 148 CG2 THR A 9 7.097 -15.043 7.168 1.00 0.23 C ATOM 0 H THR A 9 8.491 -11.902 5.132 1.00 0.15 H new ATOM 0 HA THR A 9 6.749 -14.096 4.695 1.00 0.17 H new ATOM 0 HB THR A 9 7.787 -13.011 7.344 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.587 -14.412 6.864 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.701 -15.399 8.002 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.092 -14.811 7.521 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.043 -15.817 6.403 1.00 0.23 H new ATOM 156 N ALA A 10 5.496 -11.650 6.520 1.00 0.15 N ATOM 157 CA ALA A 10 4.199 -11.113 7.007 1.00 0.15 C ATOM 158 C ALA A 10 3.336 -10.723 5.803 1.00 0.14 C ATOM 159 O ALA A 10 2.124 -10.785 5.846 1.00 0.15 O ATOM 160 CB ALA A 10 4.446 -9.891 7.897 1.00 0.17 C ATOM 0 H ALA A 10 6.307 -11.059 6.700 1.00 0.15 H new ATOM 0 HA ALA A 10 3.681 -11.873 7.593 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.492 -9.501 8.252 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.060 -10.180 8.750 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.962 -9.121 7.323 1.00 0.17 H new ATOM 166 N PHE A 11 3.957 -10.306 4.729 1.00 0.14 N ATOM 167 CA PHE A 11 3.179 -9.892 3.524 1.00 0.13 C ATOM 168 C PHE A 11 2.344 -11.071 3.043 1.00 0.14 C ATOM 169 O PHE A 11 1.186 -10.932 2.704 1.00 0.14 O ATOM 170 CB PHE A 11 4.161 -9.485 2.418 1.00 0.14 C ATOM 171 CG PHE A 11 3.423 -8.827 1.270 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.800 -7.587 1.465 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.382 -9.436 0.008 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.133 -6.965 0.405 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.714 -8.810 -1.051 1.00 0.14 C ATOM 176 CZ PHE A 11 2.088 -7.576 -0.851 1.00 0.14 C ATOM 0 H PHE A 11 4.970 -10.235 4.635 1.00 0.14 H new ATOM 0 HA PHE A 11 2.526 -9.054 3.769 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.907 -8.799 2.820 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.697 -10.363 2.058 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.835 -7.112 2.434 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.866 -10.389 -0.147 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.652 -6.010 0.557 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.682 -9.280 -2.023 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.570 -7.095 -1.667 1.00 0.14 H new ATOM 186 N GLN A 12 2.924 -12.237 3.019 1.00 0.14 N ATOM 187 CA GLN A 12 2.162 -13.434 2.571 1.00 0.16 C ATOM 188 C GLN A 12 1.048 -13.714 3.584 1.00 0.15 C ATOM 189 O GLN A 12 -0.065 -14.055 3.231 1.00 0.16 O ATOM 190 CB GLN A 12 3.106 -14.641 2.514 1.00 0.18 C ATOM 191 CG GLN A 12 4.278 -14.333 1.582 1.00 0.17 C ATOM 192 CD GLN A 12 3.746 -14.123 0.165 1.00 0.40 C ATOM 193 OE1 GLN A 12 2.746 -14.700 -0.216 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.376 -13.315 -0.634 1.00 1.31 N ATOM 0 H GLN A 12 3.892 -12.413 3.290 1.00 0.14 H new ATOM 0 HA GLN A 12 1.735 -13.257 1.584 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.474 -14.875 3.513 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.568 -15.520 2.159 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.805 -13.442 1.922 1.00 0.17 H new ATOM 0 HG3 GLN A 12 4.996 -15.153 1.597 1.00 0.17 H new ATOM 0 HE21 GLN A 12 5.215 -12.832 -0.313 1.00 1.31 H new ATOM 0 HE22 GLN A 12 4.032 -13.164 -1.582 1.00 1.31 H new ATOM 203 N GLU A 13 1.357 -13.568 4.844 1.00 0.16 N ATOM 204 CA GLU A 13 0.349 -13.814 5.918 1.00 0.17 C ATOM 205 C GLU A 13 -0.793 -12.803 5.824 1.00 0.15 C ATOM 206 O GLU A 13 -1.947 -13.134 6.017 1.00 0.16 O ATOM 207 CB GLU A 13 1.036 -13.663 7.279 1.00 0.19 C ATOM 208 CG GLU A 13 2.008 -14.824 7.517 1.00 0.28 C ATOM 209 CD GLU A 13 1.236 -16.140 7.630 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.072 -16.093 7.988 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.827 -17.172 7.359 1.00 1.67 O ATOM 0 H GLU A 13 2.277 -13.285 5.180 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.059 -14.818 5.801 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.574 -12.716 7.319 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.287 -13.639 8.071 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.724 -14.883 6.698 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.580 -14.649 8.428 1.00 0.28 H new ATOM 218 N ALA A 14 -0.479 -11.568 5.557 1.00 0.15 N ATOM 219 CA ALA A 14 -1.549 -10.540 5.477 1.00 0.14 C ATOM 220 C ALA A 14 -2.417 -10.824 4.255 1.00 0.13 C ATOM 221 O ALA A 14 -3.625 -10.722 4.305 1.00 0.13 O ATOM 222 CB ALA A 14 -0.920 -9.147 5.371 1.00 0.15 C ATOM 0 H ALA A 14 0.468 -11.227 5.391 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.167 -10.574 6.375 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.708 -8.396 5.312 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.303 -8.958 6.250 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.301 -9.094 4.475 1.00 0.15 H new ATOM 228 N LEU A 15 -1.817 -11.194 3.159 1.00 0.12 N ATOM 229 CA LEU A 15 -2.623 -11.498 1.951 1.00 0.12 C ATOM 230 C LEU A 15 -3.560 -12.659 2.278 1.00 0.13 C ATOM 231 O LEU A 15 -4.708 -12.680 1.884 1.00 0.13 O ATOM 232 CB LEU A 15 -1.689 -11.904 0.808 1.00 0.13 C ATOM 233 CG LEU A 15 -0.867 -10.691 0.344 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.323 -11.176 -0.497 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.734 -9.734 -0.496 1.00 0.17 C ATOM 0 H LEU A 15 -0.808 -11.298 3.050 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.199 -10.623 1.651 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.022 -12.701 1.138 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.271 -12.299 -0.025 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.509 -10.154 1.222 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.908 -10.318 -0.828 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.951 -11.833 0.105 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.044 -11.722 -1.366 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.132 -8.882 -0.814 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.111 -10.260 -1.373 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.573 -9.382 0.104 1.00 0.17 H new ATOM 247 N ASP A 16 -3.071 -13.630 3.008 1.00 0.13 N ATOM 248 CA ASP A 16 -3.925 -14.793 3.372 1.00 0.15 C ATOM 249 C ASP A 16 -4.999 -14.356 4.375 1.00 0.15 C ATOM 250 O ASP A 16 -6.108 -14.860 4.374 1.00 0.16 O ATOM 251 CB ASP A 16 -3.064 -15.905 3.984 1.00 0.17 C ATOM 252 CG ASP A 16 -3.875 -17.205 4.031 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.092 -17.122 4.114 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.265 -18.261 3.985 1.00 1.07 O ATOM 0 H ASP A 16 -2.116 -13.664 3.366 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.409 -15.173 2.472 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.160 -16.048 3.392 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.747 -15.624 4.988 1.00 0.17 H new ATOM 259 N ALA A 17 -4.675 -13.432 5.242 1.00 0.15 N ATOM 260 CA ALA A 17 -5.670 -12.965 6.254 1.00 0.16 C ATOM 261 C ALA A 17 -6.789 -12.190 5.564 1.00 0.15 C ATOM 262 O ALA A 17 -7.954 -12.355 5.866 1.00 0.17 O ATOM 263 CB ALA A 17 -4.980 -12.048 7.263 1.00 0.18 C ATOM 0 H ALA A 17 -3.762 -12.980 5.293 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.089 -13.832 6.765 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.706 -11.707 8.001 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.182 -12.595 7.765 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.559 -11.187 6.744 1.00 0.18 H new ATOM 269 N ALA A 18 -6.442 -11.344 4.638 1.00 0.14 N ATOM 270 CA ALA A 18 -7.479 -10.552 3.925 1.00 0.15 C ATOM 271 C ALA A 18 -8.430 -11.508 3.208 1.00 0.14 C ATOM 272 O ALA A 18 -9.613 -11.262 3.101 1.00 0.17 O ATOM 273 CB ALA A 18 -6.802 -9.645 2.901 1.00 0.15 C ATOM 0 H ALA A 18 -5.482 -11.166 4.343 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.037 -9.944 4.637 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.558 -9.062 2.375 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.114 -8.971 3.411 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.250 -10.253 2.185 1.00 0.15 H new ATOM 279 N GLY A 19 -7.917 -12.600 2.717 1.00 0.16 N ATOM 280 CA GLY A 19 -8.789 -13.577 2.009 1.00 0.20 C ATOM 281 C GLY A 19 -9.288 -12.972 0.694 1.00 0.16 C ATOM 282 O GLY A 19 -8.511 -12.576 -0.154 1.00 0.17 O ATOM 0 H GLY A 19 -6.932 -12.859 2.775 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.235 -14.495 1.810 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.636 -13.846 2.640 1.00 0.20 H new ATOM 286 N ASP A 20 -10.580 -12.915 0.506 1.00 0.15 N ATOM 287 CA ASP A 20 -11.139 -12.357 -0.762 1.00 0.14 C ATOM 288 C ASP A 20 -11.374 -10.850 -0.634 1.00 0.12 C ATOM 289 O ASP A 20 -11.887 -10.218 -1.536 1.00 0.13 O ATOM 290 CB ASP A 20 -12.468 -13.043 -1.071 1.00 0.15 C ATOM 291 CG ASP A 20 -12.240 -14.541 -1.294 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.159 -14.898 -1.730 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.152 -15.304 -1.026 1.00 1.07 O ATOM 0 H ASP A 20 -11.277 -13.233 1.180 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.424 -12.535 -1.565 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.166 -12.891 -0.248 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.919 -12.599 -1.958 1.00 0.15 H new ATOM 298 N LYS A 21 -11.014 -10.267 0.473 1.00 0.12 N ATOM 299 CA LYS A 21 -11.230 -8.802 0.645 1.00 0.12 C ATOM 300 C LYS A 21 -10.162 -8.032 -0.138 1.00 0.10 C ATOM 301 O LYS A 21 -9.059 -8.504 -0.323 1.00 0.11 O ATOM 302 CB LYS A 21 -11.135 -8.450 2.126 1.00 0.15 C ATOM 303 CG LYS A 21 -12.266 -9.145 2.887 1.00 0.21 C ATOM 304 CD LYS A 21 -12.236 -8.722 4.361 1.00 0.31 C ATOM 305 CE LYS A 21 -12.553 -7.225 4.498 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.123 -6.965 5.850 1.00 1.50 N ATOM 0 H LYS A 21 -10.580 -10.739 1.266 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.216 -8.530 0.269 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.169 -8.761 2.524 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.202 -7.370 2.260 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.228 -8.886 2.444 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.159 -10.227 2.807 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -12.961 -9.307 4.928 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.254 -8.932 4.786 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -11.648 -6.635 4.352 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.260 -6.919 3.727 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.339 -5.952 5.947 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.995 -7.518 5.971 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.433 -7.243 6.577 1.00 1.50 H new ATOM 320 N LEU A 22 -10.479 -6.854 -0.613 1.00 0.11 N ATOM 321 CA LEU A 22 -9.479 -6.076 -1.391 1.00 0.12 C ATOM 322 C LEU A 22 -8.270 -5.804 -0.478 1.00 0.12 C ATOM 323 O LEU A 22 -8.391 -5.794 0.732 1.00 0.14 O ATOM 324 CB LEU A 22 -10.137 -4.750 -1.845 1.00 0.15 C ATOM 325 CG LEU A 22 -9.744 -4.369 -3.285 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.312 -2.966 -3.627 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.213 -4.357 -3.446 1.00 0.47 C ATOM 0 H LEU A 22 -11.386 -6.402 -0.494 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.145 -6.622 -2.273 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.221 -4.843 -1.778 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.843 -3.949 -1.166 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.161 -5.111 -3.966 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.033 -2.699 -4.646 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.398 -2.983 -3.541 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.904 -2.230 -2.934 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.957 -4.086 -4.470 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.781 -3.630 -2.759 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.816 -5.347 -3.223 1.00 0.47 H new ATOM 339 N VAL A 23 -7.112 -5.586 -1.040 1.00 0.11 N ATOM 340 CA VAL A 23 -5.905 -5.319 -0.207 1.00 0.11 C ATOM 341 C VAL A 23 -5.021 -4.305 -0.920 1.00 0.11 C ATOM 342 O VAL A 23 -4.446 -4.587 -1.953 1.00 0.17 O ATOM 343 CB VAL A 23 -5.109 -6.609 -0.014 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.860 -6.308 0.820 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.970 -7.649 0.704 1.00 0.12 C ATOM 0 H VAL A 23 -6.950 -5.581 -2.047 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.219 -4.934 0.763 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.815 -7.004 -0.986 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.287 -7.225 0.961 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.245 -5.572 0.302 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.158 -5.913 1.791 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.396 -8.566 0.838 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.270 -7.263 1.678 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.858 -7.860 0.108 1.00 0.12 H new ATOM 355 N VAL A 24 -4.901 -3.128 -0.374 1.00 0.09 N ATOM 356 CA VAL A 24 -4.046 -2.088 -1.009 1.00 0.09 C ATOM 357 C VAL A 24 -2.699 -2.065 -0.278 1.00 0.09 C ATOM 358 O VAL A 24 -2.647 -2.248 0.923 1.00 0.10 O ATOM 359 CB VAL A 24 -4.742 -0.731 -0.886 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.943 0.334 -1.640 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.150 -0.832 -1.479 1.00 0.14 C ATOM 0 H VAL A 24 -5.361 -2.840 0.490 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.885 -2.306 -2.065 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.805 -0.450 0.165 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.444 1.298 -1.548 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.941 0.404 -1.217 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.874 0.060 -2.693 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.651 0.132 -1.394 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.083 -1.115 -2.530 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.720 -1.586 -0.936 1.00 0.14 H new ATOM 371 N VAL A 25 -1.607 -1.878 -0.987 1.00 0.09 N ATOM 372 CA VAL A 25 -0.258 -1.880 -0.320 1.00 0.09 C ATOM 373 C VAL A 25 0.490 -0.585 -0.638 1.00 0.10 C ATOM 374 O VAL A 25 0.733 -0.260 -1.779 1.00 0.11 O ATOM 375 CB VAL A 25 0.549 -3.073 -0.843 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.874 -3.184 -0.087 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.256 -4.358 -0.641 1.00 0.10 C ATOM 0 H VAL A 25 -1.590 -1.724 -1.995 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.388 -1.956 0.760 1.00 0.09 H new ATOM 0 HB VAL A 25 0.754 -2.926 -1.904 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.439 -4.035 -0.467 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.452 -2.271 -0.230 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.676 -3.325 0.976 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.316 -5.208 -1.012 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.462 -4.495 0.421 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.197 -4.288 -1.187 1.00 0.10 H new ATOM 387 N ASP A 26 0.869 0.144 0.378 1.00 0.11 N ATOM 388 CA ASP A 26 1.621 1.423 0.173 1.00 0.12 C ATOM 389 C ASP A 26 3.126 1.182 0.386 1.00 0.14 C ATOM 390 O ASP A 26 3.549 0.727 1.427 1.00 0.20 O ATOM 391 CB ASP A 26 1.116 2.461 1.182 1.00 0.14 C ATOM 392 CG ASP A 26 1.869 3.780 0.986 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.792 4.328 -0.099 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.500 4.225 1.932 1.00 1.04 O ATOM 0 H ASP A 26 0.689 -0.093 1.354 1.00 0.11 H new ATOM 0 HA ASP A 26 1.462 1.786 -0.842 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.046 2.619 1.051 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.262 2.095 2.198 1.00 0.14 H new ATOM 399 N PHE A 27 3.931 1.485 -0.599 1.00 0.13 N ATOM 400 CA PHE A 27 5.416 1.288 -0.478 1.00 0.13 C ATOM 401 C PHE A 27 6.089 2.611 -0.139 1.00 0.22 C ATOM 402 O PHE A 27 7.276 2.781 -0.338 1.00 0.73 O ATOM 403 CB PHE A 27 5.980 0.759 -1.800 1.00 0.11 C ATOM 404 CG PHE A 27 5.679 -0.710 -1.939 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.504 -1.645 -1.302 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.596 -1.144 -2.708 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.246 -3.013 -1.435 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.338 -2.512 -2.838 1.00 0.14 C ATOM 409 CZ PHE A 27 5.163 -3.447 -2.202 1.00 0.14 C ATOM 0 H PHE A 27 3.624 1.865 -1.494 1.00 0.13 H new ATOM 0 HA PHE A 27 5.612 0.567 0.316 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.546 1.308 -2.635 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.057 0.923 -1.837 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.341 -1.309 -0.707 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.959 -0.424 -3.201 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.884 -3.733 -0.945 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.500 -2.848 -3.431 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.962 -4.503 -2.304 1.00 0.14 H new ATOM 419 N SER A 28 5.346 3.555 0.345 1.00 0.30 N ATOM 420 CA SER A 28 5.955 4.869 0.664 1.00 0.24 C ATOM 421 C SER A 28 7.174 4.692 1.547 1.00 0.24 C ATOM 422 O SER A 28 7.248 3.806 2.373 1.00 0.28 O ATOM 423 CB SER A 28 4.947 5.738 1.405 1.00 0.27 C ATOM 424 OG SER A 28 3.807 5.949 0.585 1.00 0.29 O ATOM 0 H SER A 28 4.347 3.477 0.534 1.00 0.30 H new ATOM 0 HA SER A 28 6.249 5.343 -0.272 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.653 5.257 2.338 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.400 6.694 1.669 1.00 0.27 H new ATOM 0 HG SER A 28 3.159 6.507 1.063 1.00 0.29 H new ATOM 430 N ALA A 29 8.128 5.562 1.385 1.00 0.20 N ATOM 431 CA ALA A 29 9.352 5.500 2.214 1.00 0.21 C ATOM 432 C ALA A 29 9.068 6.262 3.508 1.00 0.22 C ATOM 433 O ALA A 29 8.693 7.419 3.484 1.00 0.22 O ATOM 434 CB ALA A 29 10.514 6.157 1.445 1.00 0.19 C ATOM 0 H ALA A 29 8.108 6.321 0.704 1.00 0.20 H new ATOM 0 HA ALA A 29 9.628 4.470 2.441 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.420 6.115 2.050 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.678 5.624 0.508 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.267 7.197 1.232 1.00 0.19 H new ATOM 440 N THR A 30 9.234 5.631 4.631 1.00 0.23 N ATOM 441 CA THR A 30 8.963 6.340 5.907 1.00 0.24 C ATOM 442 C THR A 30 9.999 7.447 6.070 1.00 0.22 C ATOM 443 O THR A 30 9.751 8.467 6.680 1.00 0.22 O ATOM 444 CB THR A 30 9.066 5.357 7.080 1.00 0.28 C ATOM 445 OG1 THR A 30 8.805 6.047 8.294 1.00 0.30 O ATOM 446 CG2 THR A 30 10.472 4.753 7.129 1.00 0.29 C ATOM 0 H THR A 30 9.543 4.663 4.722 1.00 0.23 H new ATOM 0 HA THR A 30 7.959 6.764 5.894 1.00 0.24 H new ATOM 0 HB THR A 30 8.337 4.558 6.947 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.868 5.422 9.046 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.540 4.056 7.964 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.674 4.224 6.197 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.205 5.549 7.261 1.00 0.29 H new ATOM 454 N TRP A 31 11.165 7.249 5.518 1.00 0.22 N ATOM 455 CA TRP A 31 12.234 8.281 5.643 1.00 0.21 C ATOM 456 C TRP A 31 11.991 9.444 4.672 1.00 0.19 C ATOM 457 O TRP A 31 12.563 10.507 4.819 1.00 0.22 O ATOM 458 CB TRP A 31 13.568 7.637 5.298 1.00 0.23 C ATOM 459 CG TRP A 31 13.516 7.115 3.898 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.192 5.850 3.553 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.759 7.827 2.653 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.283 5.722 2.179 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.615 6.920 1.578 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.102 9.156 2.357 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.804 7.320 0.257 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.286 9.563 1.028 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.138 8.646 -0.019 1.00 0.21 C ATOM 0 H TRP A 31 11.424 6.418 4.986 1.00 0.22 H new ATOM 0 HA TRP A 31 12.232 8.667 6.662 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.373 8.365 5.397 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.784 6.826 5.993 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.908 5.066 4.239 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.125 4.851 1.673 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.225 9.869 3.158 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.693 6.608 -0.548 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.543 10.589 0.811 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.282 8.965 -1.041 1.00 0.21 H new ATOM 478 N CYS A 32 11.145 9.268 3.693 1.00 0.18 N ATOM 479 CA CYS A 32 10.877 10.383 2.735 1.00 0.17 C ATOM 480 C CYS A 32 9.741 11.232 3.303 1.00 0.17 C ATOM 481 O CYS A 32 8.634 10.768 3.486 1.00 0.20 O ATOM 482 CB CYS A 32 10.485 9.801 1.365 1.00 0.18 C ATOM 483 SG CYS A 32 10.528 11.101 0.096 1.00 0.26 S ATOM 0 H CYS A 32 10.630 8.406 3.514 1.00 0.18 H new ATOM 0 HA CYS A 32 11.766 11.000 2.602 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.168 8.996 1.095 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.486 9.367 1.418 1.00 0.18 H new ATOM 488 N GLY A 33 10.018 12.470 3.609 1.00 0.20 N ATOM 489 CA GLY A 33 8.968 13.346 4.198 1.00 0.23 C ATOM 490 C GLY A 33 7.775 13.497 3.250 1.00 0.21 C ATOM 491 O GLY A 33 6.652 13.260 3.641 1.00 0.22 O ATOM 0 H GLY A 33 10.927 12.912 3.476 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.631 12.927 5.146 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.390 14.327 4.415 1.00 0.23 H new ATOM 495 N PRO A 34 7.989 13.893 2.019 1.00 0.21 N ATOM 496 CA PRO A 34 6.853 14.048 1.071 1.00 0.22 C ATOM 497 C PRO A 34 5.972 12.793 1.035 1.00 0.22 C ATOM 498 O PRO A 34 4.767 12.867 0.903 1.00 0.24 O ATOM 499 CB PRO A 34 7.583 14.250 -0.265 1.00 0.29 C ATOM 500 CG PRO A 34 9.018 14.697 0.056 1.00 0.31 C ATOM 501 CD PRO A 34 9.342 14.230 1.487 1.00 0.24 C ATOM 0 HA PRO A 34 6.172 14.858 1.333 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.589 13.325 -0.842 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.074 15.000 -0.870 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.722 14.266 -0.656 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.108 15.780 -0.023 1.00 0.31 H new ATOM 0 HD2 PRO A 34 10.009 13.368 1.493 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.827 15.012 2.071 1.00 0.24 H new ATOM 509 N ALA A 35 6.575 11.640 1.154 1.00 0.21 N ATOM 510 CA ALA A 35 5.785 10.379 1.126 1.00 0.23 C ATOM 511 C ALA A 35 5.083 10.179 2.477 1.00 0.23 C ATOM 512 O ALA A 35 3.897 9.918 2.537 1.00 0.22 O ATOM 513 CB ALA A 35 6.726 9.205 0.824 1.00 0.24 C ATOM 0 H ALA A 35 7.581 11.519 1.269 1.00 0.21 H new ATOM 0 HA ALA A 35 5.024 10.432 0.348 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.155 8.277 0.802 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.203 9.361 -0.144 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.490 9.142 1.599 1.00 0.24 H new ATOM 519 N LYS A 36 5.801 10.310 3.561 1.00 0.25 N ATOM 520 CA LYS A 36 5.167 10.137 4.903 1.00 0.27 C ATOM 521 C LYS A 36 4.049 11.166 5.075 1.00 0.26 C ATOM 522 O LYS A 36 3.017 10.891 5.649 1.00 0.27 O ATOM 523 CB LYS A 36 6.206 10.340 6.004 1.00 0.33 C ATOM 524 CG LYS A 36 5.584 9.980 7.357 1.00 0.37 C ATOM 525 CD LYS A 36 6.565 10.321 8.475 1.00 0.44 C ATOM 526 CE LYS A 36 5.978 9.896 9.822 1.00 0.89 C ATOM 527 NZ LYS A 36 6.950 10.222 10.904 1.00 1.59 N ATOM 0 H LYS A 36 6.797 10.529 3.576 1.00 0.25 H new ATOM 0 HA LYS A 36 4.759 9.129 4.974 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.080 9.717 5.815 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.548 11.375 6.011 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.652 10.527 7.498 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.338 8.918 7.385 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.515 9.815 8.305 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.770 11.391 8.478 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.033 10.409 9.999 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.764 8.827 9.818 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.556 9.935 11.823 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.841 9.713 10.735 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.132 11.246 10.910 1.00 1.59 H new ATOM 541 N MET A 37 4.259 12.353 4.584 1.00 0.28 N ATOM 542 CA MET A 37 3.233 13.422 4.716 1.00 0.30 C ATOM 543 C MET A 37 1.936 12.961 4.052 1.00 0.25 C ATOM 544 O MET A 37 0.866 13.393 4.415 1.00 0.25 O ATOM 545 CB MET A 37 3.750 14.705 4.052 1.00 0.38 C ATOM 546 CG MET A 37 2.790 15.870 4.332 1.00 0.44 C ATOM 547 SD MET A 37 2.914 16.355 6.075 1.00 1.54 S ATOM 548 CE MET A 37 4.110 17.702 5.881 1.00 2.10 C ATOM 0 H MET A 37 5.107 12.631 4.091 1.00 0.28 H new ATOM 0 HA MET A 37 3.037 13.625 5.769 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.744 14.944 4.430 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.846 14.554 2.977 1.00 0.38 H new ATOM 0 HG2 MET A 37 3.033 16.717 3.690 1.00 0.44 H new ATOM 0 HG3 MET A 37 1.767 15.576 4.098 1.00 0.44 H new ATOM 0 HE1 MET A 37 4.325 18.141 6.855 1.00 2.10 H new ATOM 0 HE2 MET A 37 5.031 17.311 5.448 1.00 2.10 H new ATOM 0 HE3 MET A 37 3.695 18.465 5.222 1.00 2.10 H new ATOM 558 N ILE A 38 2.039 12.100 3.074 1.00 0.23 N ATOM 559 CA ILE A 38 0.829 11.590 2.355 1.00 0.25 C ATOM 560 C ILE A 38 0.143 10.463 3.143 1.00 0.26 C ATOM 561 O ILE A 38 -0.878 9.948 2.728 1.00 0.31 O ATOM 562 CB ILE A 38 1.241 11.068 0.971 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.744 12.247 0.136 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.041 10.408 0.275 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.431 11.735 -1.126 1.00 0.49 C ATOM 0 H ILE A 38 2.924 11.721 2.736 1.00 0.23 H new ATOM 0 HA ILE A 38 0.121 12.413 2.252 1.00 0.25 H new ATOM 0 HB ILE A 38 2.029 10.323 1.078 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.910 12.896 -0.131 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.440 12.847 0.721 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.345 10.042 -0.705 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.316 9.574 0.879 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.759 11.139 0.157 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.786 12.580 -1.715 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.276 11.104 -0.850 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.722 11.154 -1.716 1.00 0.49 H new ATOM 577 N LYS A 39 0.697 10.033 4.247 1.00 0.27 N ATOM 578 CA LYS A 39 0.052 8.907 4.988 1.00 0.34 C ATOM 579 C LYS A 39 -1.378 9.227 5.498 1.00 0.30 C ATOM 580 O LYS A 39 -2.166 8.318 5.638 1.00 0.33 O ATOM 581 CB LYS A 39 0.942 8.394 6.149 1.00 0.46 C ATOM 582 CG LYS A 39 0.869 9.291 7.407 1.00 0.50 C ATOM 583 CD LYS A 39 1.424 8.531 8.627 1.00 0.65 C ATOM 584 CE LYS A 39 0.533 7.321 8.978 1.00 0.80 C ATOM 585 NZ LYS A 39 1.088 6.092 8.341 1.00 0.75 N ATOM 0 H LYS A 39 1.552 10.404 4.662 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.055 8.111 4.251 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.637 7.381 6.413 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.976 8.337 5.809 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.441 10.205 7.246 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.163 9.589 7.592 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.438 8.191 8.418 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.483 9.204 9.483 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.485 7.193 10.059 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.486 7.494 8.632 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.364 5.659 7.733 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.918 6.343 7.767 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.370 5.416 9.079 1.00 0.75 H new ATOM 599 N PRO A 40 -1.741 10.459 5.824 1.00 0.26 N ATOM 600 CA PRO A 40 -3.115 10.709 6.352 1.00 0.25 C ATOM 601 C PRO A 40 -4.204 10.275 5.370 1.00 0.20 C ATOM 602 O PRO A 40 -5.187 9.702 5.761 1.00 0.21 O ATOM 603 CB PRO A 40 -3.106 12.234 6.554 1.00 0.26 C ATOM 604 CG PRO A 40 -1.641 12.663 6.587 1.00 0.28 C ATOM 605 CD PRO A 40 -0.884 11.668 5.705 1.00 0.27 C ATOM 0 HA PRO A 40 -3.339 10.144 7.257 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.638 12.735 5.745 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.610 12.505 7.482 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.525 13.680 6.214 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.255 12.651 7.606 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.801 12.013 4.674 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.130 11.490 6.064 1.00 0.27 H new ATOM 613 N PHE A 41 -4.043 10.531 4.101 1.00 0.16 N ATOM 614 CA PHE A 41 -5.098 10.099 3.142 1.00 0.13 C ATOM 615 C PHE A 41 -5.105 8.569 3.042 1.00 0.13 C ATOM 616 O PHE A 41 -6.126 7.926 3.190 1.00 0.15 O ATOM 617 CB PHE A 41 -4.804 10.700 1.760 1.00 0.14 C ATOM 618 CG PHE A 41 -5.277 12.127 1.701 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.513 13.147 2.274 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.493 12.425 1.070 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.963 14.472 2.216 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.944 13.748 1.014 1.00 0.31 C ATOM 623 CZ PHE A 41 -6.180 14.771 1.588 1.00 0.37 C ATOM 0 H PHE A 41 -3.242 11.012 3.692 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.071 10.443 3.492 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.734 10.655 1.556 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.300 10.113 0.987 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.577 12.914 2.761 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.081 11.634 0.628 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.373 15.263 2.655 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.880 13.980 0.529 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.529 15.792 1.547 1.00 0.37 H new ATOM 633 N PHE A 42 -3.963 7.977 2.826 1.00 0.12 N ATOM 634 CA PHE A 42 -3.898 6.490 2.734 1.00 0.13 C ATOM 635 C PHE A 42 -4.389 5.878 4.043 1.00 0.14 C ATOM 636 O PHE A 42 -5.237 5.007 4.062 1.00 0.16 O ATOM 637 CB PHE A 42 -2.443 6.075 2.478 1.00 0.13 C ATOM 638 CG PHE A 42 -2.344 4.568 2.429 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.768 3.877 1.287 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.848 3.857 3.536 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.698 2.479 1.249 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.776 2.457 3.495 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.202 1.768 2.352 1.00 0.13 C ATOM 0 H PHE A 42 -3.071 8.458 2.709 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.529 6.137 1.919 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.093 6.503 1.539 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.799 6.466 3.266 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.149 4.422 0.436 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.523 4.389 4.418 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.027 1.947 0.369 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.392 1.910 4.344 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.149 0.690 2.320 1.00 0.13 H new ATOM 653 N HIS A 43 -3.852 6.335 5.131 1.00 0.16 N ATOM 654 CA HIS A 43 -4.245 5.803 6.461 1.00 0.18 C ATOM 655 C HIS A 43 -5.699 6.184 6.791 1.00 0.16 C ATOM 656 O HIS A 43 -6.445 5.394 7.334 1.00 0.16 O ATOM 657 CB HIS A 43 -3.272 6.391 7.494 1.00 0.23 C ATOM 658 CG HIS A 43 -3.596 5.881 8.865 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.967 4.771 9.403 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.508 6.287 9.798 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.511 4.545 10.611 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.457 5.443 10.903 1.00 0.31 N ATOM 0 H HIS A 43 -3.144 7.069 5.158 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.193 4.714 6.470 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.248 6.124 7.232 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.331 7.479 7.480 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.169 7.135 9.694 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.220 3.737 11.266 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.020 5.498 11.752 1.00 0.31 H new ATOM 670 N SER A 44 -6.108 7.382 6.469 1.00 0.15 N ATOM 671 CA SER A 44 -7.515 7.801 6.772 1.00 0.15 C ATOM 672 C SER A 44 -8.522 6.945 6.002 1.00 0.13 C ATOM 673 O SER A 44 -9.577 6.610 6.505 1.00 0.15 O ATOM 674 CB SER A 44 -7.721 9.269 6.404 1.00 0.18 C ATOM 675 OG SER A 44 -6.910 10.073 7.248 1.00 0.22 O ATOM 0 H SER A 44 -5.534 8.089 6.011 1.00 0.15 H new ATOM 0 HA SER A 44 -7.679 7.663 7.841 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.459 9.436 5.359 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.770 9.542 6.517 1.00 0.18 H new ATOM 0 HG SER A 44 -6.042 10.225 6.819 1.00 0.22 H new ATOM 681 N LEU A 45 -8.226 6.620 4.777 1.00 0.12 N ATOM 682 CA LEU A 45 -9.190 5.823 3.974 1.00 0.14 C ATOM 683 C LEU A 45 -9.455 4.484 4.648 1.00 0.13 C ATOM 684 O LEU A 45 -10.470 3.861 4.414 1.00 0.15 O ATOM 685 CB LEU A 45 -8.635 5.578 2.573 1.00 0.16 C ATOM 686 CG LEU A 45 -8.647 6.882 1.754 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.676 6.751 0.578 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.056 7.160 1.203 1.00 0.22 C ATOM 0 H LEU A 45 -7.361 6.871 4.298 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.122 6.383 3.901 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.617 5.193 2.640 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.230 4.818 2.067 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.348 7.704 2.404 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.682 7.673 -0.004 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.670 6.567 0.955 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.983 5.920 -0.056 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.045 8.085 0.627 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.364 6.336 0.560 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.758 7.256 2.031 1.00 0.22 H new ATOM 700 N SER A 46 -8.555 4.014 5.469 1.00 0.12 N ATOM 701 CA SER A 46 -8.798 2.698 6.119 1.00 0.12 C ATOM 702 C SER A 46 -10.174 2.722 6.776 1.00 0.14 C ATOM 703 O SER A 46 -10.916 1.763 6.717 1.00 0.16 O ATOM 704 CB SER A 46 -7.736 2.440 7.189 1.00 0.13 C ATOM 705 OG SER A 46 -6.449 2.433 6.586 1.00 0.14 O ATOM 0 H SER A 46 -7.679 4.475 5.713 1.00 0.12 H new ATOM 0 HA SER A 46 -8.750 1.908 5.370 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.785 3.210 7.958 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.924 1.486 7.681 1.00 0.13 H new ATOM 0 HG SER A 46 -6.062 3.332 6.631 1.00 0.14 H new ATOM 711 N GLU A 47 -10.526 3.816 7.385 1.00 0.15 N ATOM 712 CA GLU A 47 -11.861 3.906 8.031 1.00 0.18 C ATOM 713 C GLU A 47 -12.912 4.269 6.977 1.00 0.18 C ATOM 714 O GLU A 47 -14.095 4.093 7.190 1.00 0.21 O ATOM 715 CB GLU A 47 -11.827 4.993 9.110 1.00 0.22 C ATOM 716 CG GLU A 47 -10.958 4.523 10.279 1.00 0.23 C ATOM 717 CD GLU A 47 -9.486 4.542 9.858 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.150 5.323 8.981 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.721 3.770 10.411 1.00 2.16 O ATOM 0 H GLU A 47 -9.947 4.652 7.464 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.115 2.948 8.484 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.429 5.919 8.696 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.838 5.208 9.457 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.109 5.171 11.142 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.248 3.517 10.581 1.00 0.23 H new ATOM 726 N LYS A 48 -12.500 4.760 5.831 1.00 0.17 N ATOM 727 CA LYS A 48 -13.502 5.109 4.782 1.00 0.19 C ATOM 728 C LYS A 48 -13.976 3.809 4.158 1.00 0.18 C ATOM 729 O LYS A 48 -15.139 3.635 3.852 1.00 0.21 O ATOM 730 CB LYS A 48 -12.868 6.001 3.709 1.00 0.20 C ATOM 731 CG LYS A 48 -13.927 6.440 2.684 1.00 0.30 C ATOM 732 CD LYS A 48 -14.982 7.345 3.350 1.00 0.82 C ATOM 733 CE LYS A 48 -15.644 8.236 2.292 1.00 1.03 C ATOM 734 NZ LYS A 48 -16.708 9.063 2.930 1.00 1.78 N ATOM 0 H LYS A 48 -11.526 4.931 5.582 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.335 5.657 5.222 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.418 6.878 4.175 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.066 5.461 3.205 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -13.448 6.974 1.863 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.411 5.563 2.254 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -15.736 6.735 3.848 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.513 7.962 4.117 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.898 8.881 1.826 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -16.073 7.621 1.501 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -17.156 9.667 2.211 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -17.424 8.440 3.354 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -16.287 9.660 3.670 1.00 1.78 H new ATOM 748 N TYR A 49 -13.071 2.878 4.002 1.00 0.16 N ATOM 749 CA TYR A 49 -13.430 1.541 3.442 1.00 0.17 C ATOM 750 C TYR A 49 -12.970 0.494 4.452 1.00 0.16 C ATOM 751 O TYR A 49 -12.050 -0.264 4.216 1.00 0.16 O ATOM 752 CB TYR A 49 -12.731 1.332 2.091 1.00 0.17 C ATOM 753 CG TYR A 49 -13.245 2.359 1.107 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.487 2.169 0.483 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.496 3.508 0.832 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.973 3.127 -0.416 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.984 4.465 -0.065 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.221 4.275 -0.688 1.00 0.21 C ATOM 759 OH TYR A 49 -14.700 5.220 -1.570 1.00 0.25 O ATOM 0 H TYR A 49 -12.086 2.989 4.242 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.504 1.462 3.273 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.651 1.429 2.207 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.923 0.325 1.719 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.068 1.284 0.696 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.540 3.657 1.312 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.928 2.980 -0.899 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.404 5.351 -0.276 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.055 5.954 -1.645 1.00 0.25 H new ATOM 769 N SER A 50 -13.620 0.458 5.586 1.00 0.17 N ATOM 770 CA SER A 50 -13.246 -0.510 6.647 1.00 0.18 C ATOM 771 C SER A 50 -13.446 -1.927 6.111 1.00 0.19 C ATOM 772 O SER A 50 -13.033 -2.896 6.713 1.00 0.21 O ATOM 773 CB SER A 50 -14.127 -0.268 7.874 1.00 0.20 C ATOM 774 OG SER A 50 -15.455 -0.689 7.594 1.00 0.22 O ATOM 0 H SER A 50 -14.403 1.068 5.820 1.00 0.17 H new ATOM 0 HA SER A 50 -12.202 -0.383 6.934 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.734 -0.815 8.731 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.117 0.789 8.139 1.00 0.20 H new ATOM 0 HG SER A 50 -16.019 -0.536 8.380 1.00 0.22 H new ATOM 780 N ASN A 51 -14.065 -2.044 4.967 1.00 0.20 N ATOM 781 CA ASN A 51 -14.285 -3.386 4.359 1.00 0.23 C ATOM 782 C ASN A 51 -13.114 -3.698 3.426 1.00 0.19 C ATOM 783 O ASN A 51 -13.130 -4.663 2.687 1.00 0.22 O ATOM 784 CB ASN A 51 -15.588 -3.368 3.560 1.00 0.32 C ATOM 785 CG ASN A 51 -15.979 -4.798 3.181 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.365 -5.580 4.027 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.902 -5.171 1.934 1.00 0.27 N ATOM 0 H ASN A 51 -14.430 -1.261 4.425 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.350 -4.147 5.137 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.381 -2.908 4.149 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.467 -2.763 2.661 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.166 -6.120 1.668 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.578 -4.514 1.224 1.00 0.27 H new ATOM 794 N VAL A 52 -12.088 -2.887 3.478 1.00 0.21 N ATOM 795 CA VAL A 52 -10.881 -3.104 2.632 1.00 0.17 C ATOM 796 C VAL A 52 -9.666 -3.093 3.550 1.00 0.13 C ATOM 797 O VAL A 52 -9.641 -2.381 4.534 1.00 0.14 O ATOM 798 CB VAL A 52 -10.775 -1.983 1.595 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.411 -2.046 0.881 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.906 -2.149 0.574 1.00 0.24 C ATOM 0 H VAL A 52 -12.038 -2.068 4.084 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.942 -4.055 2.102 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.861 -1.016 2.091 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.348 -1.244 0.146 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.612 -1.931 1.613 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.308 -3.008 0.378 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.843 -1.356 -0.171 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.813 -3.117 0.083 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.868 -2.091 1.084 1.00 0.24 H new ATOM 810 N ILE A 53 -8.673 -3.889 3.265 1.00 0.11 N ATOM 811 CA ILE A 53 -7.473 -3.933 4.160 1.00 0.09 C ATOM 812 C ILE A 53 -6.349 -3.088 3.554 1.00 0.09 C ATOM 813 O ILE A 53 -5.914 -3.327 2.445 1.00 0.12 O ATOM 814 CB ILE A 53 -7.005 -5.386 4.293 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.199 -6.285 4.660 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.929 -5.491 5.381 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.930 -5.734 5.890 1.00 0.15 C ATOM 0 H ILE A 53 -8.636 -4.510 2.456 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.731 -3.536 5.142 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.585 -5.713 3.342 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.888 -6.346 3.818 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.850 -7.298 4.861 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.601 -6.527 5.470 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.079 -4.863 5.114 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.341 -5.158 6.334 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.771 -6.383 6.134 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.243 -5.697 6.735 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.296 -4.730 5.676 1.00 0.15 H new ATOM 829 N PHE A 54 -5.869 -2.106 4.281 1.00 0.08 N ATOM 830 CA PHE A 54 -4.756 -1.246 3.761 1.00 0.09 C ATOM 831 C PHE A 54 -3.447 -1.674 4.437 1.00 0.09 C ATOM 832 O PHE A 54 -3.356 -1.734 5.648 1.00 0.12 O ATOM 833 CB PHE A 54 -5.034 0.228 4.094 1.00 0.10 C ATOM 834 CG PHE A 54 -6.252 0.718 3.338 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.532 0.334 3.752 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.103 1.565 2.231 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.659 0.794 3.059 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.231 2.022 1.538 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.509 1.636 1.953 1.00 0.10 C ATOM 0 H PHE A 54 -6.201 -1.862 5.214 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.681 -1.361 2.680 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.193 0.342 5.166 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.168 0.836 3.834 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.651 -0.317 4.606 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.116 1.866 1.912 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.647 0.497 3.380 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.114 2.672 0.684 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.380 1.988 1.420 1.00 0.10 H new ATOM 849 N LEU A 55 -2.428 -1.969 3.663 1.00 0.09 N ATOM 850 CA LEU A 55 -1.108 -2.393 4.244 1.00 0.11 C ATOM 851 C LEU A 55 -0.083 -1.286 4.017 1.00 0.10 C ATOM 852 O LEU A 55 -0.048 -0.666 2.973 1.00 0.10 O ATOM 853 CB LEU A 55 -0.587 -3.678 3.556 1.00 0.12 C ATOM 854 CG LEU A 55 -1.317 -4.940 4.063 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.819 -4.699 4.183 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.066 -6.099 3.090 1.00 0.22 C ATOM 0 H LEU A 55 -2.453 -1.934 2.644 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.249 -2.586 5.307 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.719 -3.591 2.478 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.483 -3.779 3.739 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.928 -5.186 5.051 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.305 -5.606 4.542 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.002 -3.886 4.886 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.224 -4.433 3.207 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.581 -6.991 3.446 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.443 -5.833 2.102 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.004 -6.298 3.029 1.00 0.22 H new ATOM 868 N GLU A 56 0.777 -1.064 4.978 1.00 0.12 N ATOM 869 CA GLU A 56 1.843 -0.031 4.829 1.00 0.13 C ATOM 870 C GLU A 56 3.165 -0.776 4.726 1.00 0.13 C ATOM 871 O GLU A 56 3.436 -1.662 5.511 1.00 0.14 O ATOM 872 CB GLU A 56 1.867 0.890 6.051 1.00 0.15 C ATOM 873 CG GLU A 56 2.789 2.079 5.764 1.00 0.17 C ATOM 874 CD GLU A 56 2.953 2.922 7.033 1.00 0.20 C ATOM 875 OE1 GLU A 56 2.054 3.691 7.330 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.973 2.781 7.687 1.00 1.13 O ATOM 0 H GLU A 56 0.785 -1.561 5.869 1.00 0.12 H new ATOM 0 HA GLU A 56 1.662 0.585 3.948 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.860 1.241 6.277 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.219 0.344 6.927 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.762 1.724 5.423 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.373 2.689 4.962 1.00 0.17 H new ATOM 883 N VAL A 57 3.976 -0.457 3.751 1.00 0.12 N ATOM 884 CA VAL A 57 5.273 -1.184 3.581 1.00 0.12 C ATOM 885 C VAL A 57 6.430 -0.184 3.495 1.00 0.11 C ATOM 886 O VAL A 57 6.382 0.781 2.759 1.00 0.13 O ATOM 887 CB VAL A 57 5.204 -1.998 2.291 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.464 -2.843 2.153 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.981 -2.911 2.333 1.00 0.14 C ATOM 0 H VAL A 57 3.798 0.276 3.064 1.00 0.12 H new ATOM 0 HA VAL A 57 5.443 -1.840 4.435 1.00 0.12 H new ATOM 0 HB VAL A 57 5.126 -1.323 1.439 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.414 -3.424 1.232 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.338 -2.192 2.124 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.544 -3.519 3.004 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.930 -3.493 1.413 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.060 -3.586 3.185 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.079 -2.307 2.431 1.00 0.14 H new ATOM 899 N ASP A 58 7.474 -0.420 4.245 1.00 0.10 N ATOM 900 CA ASP A 58 8.657 0.496 4.230 1.00 0.09 C ATOM 901 C ASP A 58 9.716 -0.050 3.273 1.00 0.09 C ATOM 902 O ASP A 58 10.229 -1.132 3.459 1.00 0.09 O ATOM 903 CB ASP A 58 9.243 0.553 5.638 1.00 0.10 C ATOM 904 CG ASP A 58 10.299 1.660 5.715 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.267 2.546 4.876 1.00 1.05 O ATOM 906 OD2 ASP A 58 11.125 1.601 6.614 1.00 1.02 O ATOM 0 H ASP A 58 7.560 -1.217 4.875 1.00 0.10 H new ATOM 0 HA ASP A 58 8.352 1.490 3.903 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.452 0.741 6.364 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.690 -0.407 5.895 1.00 0.10 H new ATOM 911 N VAL A 59 10.077 0.686 2.260 1.00 0.09 N ATOM 912 CA VAL A 59 11.119 0.168 1.327 1.00 0.10 C ATOM 913 C VAL A 59 12.450 0.111 2.066 1.00 0.11 C ATOM 914 O VAL A 59 13.392 -0.507 1.615 1.00 0.12 O ATOM 915 CB VAL A 59 11.253 1.093 0.115 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.945 1.092 -0.675 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.566 2.519 0.577 1.00 0.16 C ATOM 0 H VAL A 59 9.704 1.609 2.038 1.00 0.09 H new ATOM 0 HA VAL A 59 10.834 -0.825 0.981 1.00 0.10 H new ATOM 0 HB VAL A 59 12.065 0.735 -0.518 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.041 1.751 -1.538 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.725 0.080 -1.014 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.135 1.445 -0.037 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.660 3.171 -0.292 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.760 2.880 1.216 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.502 2.523 1.136 1.00 0.16 H new ATOM 927 N ASP A 60 12.541 0.765 3.196 1.00 0.10 N ATOM 928 CA ASP A 60 13.822 0.752 3.966 1.00 0.12 C ATOM 929 C ASP A 60 13.819 -0.350 5.040 1.00 0.13 C ATOM 930 O ASP A 60 14.790 -1.065 5.192 1.00 0.15 O ATOM 931 CB ASP A 60 13.999 2.120 4.627 1.00 0.14 C ATOM 932 CG ASP A 60 14.539 3.123 3.602 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.411 2.856 2.418 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.084 4.129 4.020 1.00 1.08 O ATOM 0 H ASP A 60 11.786 1.306 3.618 1.00 0.10 H new ATOM 0 HA ASP A 60 14.647 0.545 3.284 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.046 2.469 5.024 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.686 2.041 5.470 1.00 0.14 H new ATOM 939 N ASP A 61 12.745 -0.511 5.776 1.00 0.13 N ATOM 940 CA ASP A 61 12.712 -1.583 6.831 1.00 0.15 C ATOM 941 C ASP A 61 12.025 -2.816 6.258 1.00 0.14 C ATOM 942 O ASP A 61 12.160 -3.914 6.761 1.00 0.19 O ATOM 943 CB ASP A 61 11.930 -1.083 8.050 1.00 0.16 C ATOM 944 CG ASP A 61 12.644 0.130 8.647 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.701 0.476 8.144 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.123 0.691 9.596 1.00 1.01 O ATOM 0 H ASP A 61 11.895 0.047 5.696 1.00 0.13 H new ATOM 0 HA ASP A 61 13.729 -1.831 7.136 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.914 -0.815 7.760 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.850 -1.875 8.795 1.00 0.16 H new ATOM 951 N ALA A 62 11.289 -2.630 5.197 1.00 0.11 N ATOM 952 CA ALA A 62 10.575 -3.762 4.537 1.00 0.12 C ATOM 953 C ALA A 62 11.113 -3.870 3.109 1.00 0.11 C ATOM 954 O ALA A 62 10.396 -4.151 2.171 1.00 0.12 O ATOM 955 CB ALA A 62 9.063 -3.485 4.533 1.00 0.14 C ATOM 0 H ALA A 62 11.149 -1.724 4.750 1.00 0.11 H new ATOM 0 HA ALA A 62 10.741 -4.698 5.070 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.543 -4.313 4.051 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.709 -3.383 5.559 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.863 -2.563 3.987 1.00 0.14 H new ATOM 961 N GLN A 63 12.384 -3.624 2.958 1.00 0.11 N ATOM 962 CA GLN A 63 13.022 -3.672 1.618 1.00 0.12 C ATOM 963 C GLN A 63 12.875 -5.067 1.011 1.00 0.12 C ATOM 964 O GLN A 63 12.918 -5.231 -0.191 1.00 0.14 O ATOM 965 CB GLN A 63 14.509 -3.310 1.768 1.00 0.13 C ATOM 966 CG GLN A 63 15.259 -4.387 2.565 1.00 0.15 C ATOM 967 CD GLN A 63 14.713 -4.464 3.994 1.00 0.77 C ATOM 968 OE1 GLN A 63 13.712 -5.105 4.244 1.00 1.47 O ATOM 969 NE2 GLN A 63 15.341 -3.839 4.954 1.00 1.43 N ATOM 0 H GLN A 63 13.017 -3.388 3.722 1.00 0.11 H new ATOM 0 HA GLN A 63 12.535 -2.960 0.952 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.962 -3.200 0.782 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.604 -2.348 2.271 1.00 0.13 H new ATOM 0 HG2 GLN A 63 15.151 -5.354 2.074 1.00 0.15 H new ATOM 0 HG3 GLN A 63 16.324 -4.158 2.587 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.182 -3.300 4.747 1.00 1.43 H new ATOM 0 HE22 GLN A 63 14.991 -3.890 5.911 1.00 1.43 H new ATOM 978 N ASP A 64 12.693 -6.072 1.819 1.00 0.13 N ATOM 979 CA ASP A 64 12.535 -7.440 1.264 1.00 0.13 C ATOM 980 C ASP A 64 11.225 -7.503 0.491 1.00 0.15 C ATOM 981 O ASP A 64 11.119 -8.159 -0.524 1.00 0.16 O ATOM 982 CB ASP A 64 12.539 -8.466 2.402 1.00 0.17 C ATOM 983 CG ASP A 64 11.555 -8.046 3.492 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.369 -8.112 3.243 1.00 1.02 O ATOM 985 OD2 ASP A 64 12.010 -7.662 4.556 1.00 1.05 O ATOM 0 H ASP A 64 12.647 -6.005 2.836 1.00 0.13 H new ATOM 0 HA ASP A 64 13.363 -7.672 0.594 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.269 -9.449 2.016 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.542 -8.552 2.820 1.00 0.17 H new ATOM 990 N VAL A 65 10.228 -6.812 0.961 1.00 0.17 N ATOM 991 CA VAL A 65 8.925 -6.813 0.255 1.00 0.22 C ATOM 992 C VAL A 65 9.044 -5.974 -1.021 1.00 0.22 C ATOM 993 O VAL A 65 8.561 -6.342 -2.073 1.00 0.26 O ATOM 994 CB VAL A 65 7.866 -6.175 1.159 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.472 -6.483 0.611 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.000 -6.723 2.580 1.00 0.32 C ATOM 0 H VAL A 65 10.262 -6.245 1.808 1.00 0.17 H new ATOM 0 HA VAL A 65 8.643 -7.836 0.007 1.00 0.22 H new ATOM 0 HB VAL A 65 8.013 -5.095 1.180 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.719 -6.029 1.255 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.380 -6.078 -0.397 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.322 -7.562 0.583 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.244 -6.266 3.219 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.859 -7.804 2.568 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.992 -6.490 2.968 1.00 0.32 H new ATOM 1006 N ALA A 66 9.670 -4.830 -0.922 1.00 0.19 N ATOM 1007 CA ALA A 66 9.806 -3.942 -2.111 1.00 0.22 C ATOM 1008 C ALA A 66 10.773 -4.543 -3.136 1.00 0.23 C ATOM 1009 O ALA A 66 10.540 -4.478 -4.326 1.00 0.26 O ATOM 1010 CB ALA A 66 10.310 -2.565 -1.663 1.00 0.25 C ATOM 0 H ALA A 66 10.094 -4.473 -0.066 1.00 0.19 H new ATOM 0 HA ALA A 66 8.829 -3.841 -2.584 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.410 -1.914 -2.531 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.599 -2.128 -0.962 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.280 -2.673 -1.177 1.00 0.25 H new ATOM 1016 N SER A 67 11.862 -5.117 -2.700 1.00 0.21 N ATOM 1017 CA SER A 67 12.822 -5.702 -3.684 1.00 0.23 C ATOM 1018 C SER A 67 12.127 -6.820 -4.465 1.00 0.23 C ATOM 1019 O SER A 67 12.397 -7.042 -5.631 1.00 0.24 O ATOM 1020 CB SER A 67 14.037 -6.269 -2.950 1.00 0.23 C ATOM 1021 OG SER A 67 13.627 -7.344 -2.118 1.00 0.22 O ATOM 0 H SER A 67 12.127 -5.206 -1.719 1.00 0.21 H new ATOM 0 HA SER A 67 13.153 -4.924 -4.373 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.781 -6.614 -3.668 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.509 -5.491 -2.351 1.00 0.23 H new ATOM 0 HG SER A 67 13.143 -6.991 -1.343 1.00 0.22 H new ATOM 1027 N GLU A 68 11.224 -7.517 -3.835 1.00 0.23 N ATOM 1028 CA GLU A 68 10.496 -8.611 -4.535 1.00 0.25 C ATOM 1029 C GLU A 68 9.688 -8.016 -5.686 1.00 0.22 C ATOM 1030 O GLU A 68 9.556 -8.605 -6.739 1.00 0.24 O ATOM 1031 CB GLU A 68 9.541 -9.298 -3.553 1.00 0.29 C ATOM 1032 CG GLU A 68 8.906 -10.523 -4.217 1.00 0.32 C ATOM 1033 CD GLU A 68 7.809 -11.083 -3.312 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.461 -10.415 -2.354 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.334 -12.172 -3.593 1.00 2.06 O ATOM 0 H GLU A 68 10.958 -7.375 -2.861 1.00 0.23 H new ATOM 0 HA GLU A 68 11.210 -9.339 -4.920 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.082 -9.599 -2.656 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.765 -8.600 -3.238 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.488 -10.249 -5.186 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.664 -11.284 -4.401 1.00 0.32 H new ATOM 1042 N ALA A 69 9.120 -6.859 -5.474 1.00 0.20 N ATOM 1043 CA ALA A 69 8.291 -6.218 -6.533 1.00 0.20 C ATOM 1044 C ALA A 69 9.146 -5.328 -7.438 1.00 0.19 C ATOM 1045 O ALA A 69 8.636 -4.692 -8.337 1.00 0.20 O ATOM 1046 CB ALA A 69 7.200 -5.375 -5.875 1.00 0.23 C ATOM 0 H ALA A 69 9.196 -6.328 -4.607 1.00 0.20 H new ATOM 0 HA ALA A 69 7.844 -7.001 -7.146 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.590 -4.903 -6.646 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.571 -6.014 -5.255 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.659 -4.606 -5.254 1.00 0.23 H new ATOM 1052 N GLU A 70 10.434 -5.268 -7.220 1.00 0.18 N ATOM 1053 CA GLU A 70 11.285 -4.407 -8.095 1.00 0.18 C ATOM 1054 C GLU A 70 10.740 -2.980 -8.110 1.00 0.17 C ATOM 1055 O GLU A 70 10.543 -2.401 -9.159 1.00 0.18 O ATOM 1056 CB GLU A 70 11.305 -4.943 -9.532 1.00 0.22 C ATOM 1057 CG GLU A 70 11.994 -6.305 -9.577 1.00 0.24 C ATOM 1058 CD GLU A 70 11.070 -7.383 -9.000 1.00 1.24 C ATOM 1059 OE1 GLU A 70 9.866 -7.213 -9.082 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.587 -8.365 -8.491 1.00 2.02 O ATOM 0 H GLU A 70 10.929 -5.771 -6.484 1.00 0.18 H new ATOM 0 HA GLU A 70 12.299 -4.416 -7.694 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.286 -5.030 -9.910 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.827 -4.241 -10.182 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.258 -6.554 -10.605 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.924 -6.270 -9.009 1.00 0.24 H new ATOM 1067 N VAL A 71 10.481 -2.404 -6.972 1.00 0.15 N ATOM 1068 CA VAL A 71 9.930 -1.019 -6.974 1.00 0.14 C ATOM 1069 C VAL A 71 10.969 -0.066 -7.556 1.00 0.14 C ATOM 1070 O VAL A 71 12.132 -0.108 -7.202 1.00 0.16 O ATOM 1071 CB VAL A 71 9.608 -0.579 -5.548 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.912 0.783 -5.602 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.682 -1.607 -4.886 1.00 0.15 C ATOM 0 H VAL A 71 10.623 -2.822 -6.053 1.00 0.15 H new ATOM 0 HA VAL A 71 9.020 -1.001 -7.574 1.00 0.14 H new ATOM 0 HB VAL A 71 10.526 -0.505 -4.965 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.675 1.111 -4.590 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.572 1.511 -6.074 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.992 0.699 -6.181 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.454 -1.290 -3.868 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.757 -1.685 -5.457 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.176 -2.579 -4.861 1.00 0.15 H new ATOM 1083 N LYS A 72 10.562 0.786 -8.468 1.00 0.15 N ATOM 1084 CA LYS A 72 11.524 1.738 -9.092 1.00 0.16 C ATOM 1085 C LYS A 72 11.328 3.147 -8.505 1.00 0.15 C ATOM 1086 O LYS A 72 12.163 4.012 -8.678 1.00 0.16 O ATOM 1087 CB LYS A 72 11.275 1.777 -10.605 1.00 0.19 C ATOM 1088 CG LYS A 72 11.473 0.375 -11.216 1.00 0.23 C ATOM 1089 CD LYS A 72 12.962 0.070 -11.422 1.00 0.74 C ATOM 1090 CE LYS A 72 13.096 -1.300 -12.090 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.533 -1.603 -12.334 1.00 1.60 N ATOM 0 H LYS A 72 9.602 0.860 -8.805 1.00 0.15 H new ATOM 0 HA LYS A 72 12.543 1.409 -8.889 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.263 2.129 -10.805 1.00 0.19 H new ATOM 0 HB3 LYS A 72 11.957 2.486 -11.075 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.031 -0.376 -10.561 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.950 0.313 -12.170 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.423 0.839 -12.042 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.485 0.076 -10.465 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.655 -2.069 -11.455 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.547 -1.311 -13.032 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.619 -2.535 -12.788 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 14.940 -0.876 -12.956 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.045 -1.610 -11.429 1.00 1.60 H new ATOM 1105 N ALA A 73 10.239 3.390 -7.811 1.00 0.13 N ATOM 1106 CA ALA A 73 10.029 4.754 -7.229 1.00 0.13 C ATOM 1107 C ALA A 73 8.951 4.726 -6.131 1.00 0.11 C ATOM 1108 O ALA A 73 8.100 3.864 -6.104 1.00 0.12 O ATOM 1109 CB ALA A 73 9.600 5.721 -8.340 1.00 0.14 C ATOM 0 H ALA A 73 9.498 2.714 -7.625 1.00 0.13 H new ATOM 0 HA ALA A 73 10.966 5.087 -6.783 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.447 6.714 -7.918 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.377 5.767 -9.103 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.671 5.370 -8.789 1.00 0.14 H new ATOM 1115 N THR A 74 8.977 5.693 -5.246 1.00 0.11 N ATOM 1116 CA THR A 74 7.954 5.779 -4.154 1.00 0.11 C ATOM 1117 C THR A 74 7.377 7.205 -4.178 1.00 0.12 C ATOM 1118 O THR A 74 8.051 8.111 -4.608 1.00 0.15 O ATOM 1119 CB THR A 74 8.645 5.525 -2.798 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.482 6.623 -2.484 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.482 4.253 -2.864 1.00 0.14 C ATOM 0 H THR A 74 9.674 6.438 -5.233 1.00 0.11 H new ATOM 0 HA THR A 74 7.164 5.042 -4.295 1.00 0.11 H new ATOM 0 HB THR A 74 7.883 5.409 -2.027 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.920 6.464 -1.622 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.965 4.085 -1.901 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.838 3.406 -3.100 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.243 4.358 -3.638 1.00 0.14 H new ATOM 1129 N PRO A 75 6.171 7.435 -3.693 1.00 0.13 N ATOM 1130 CA PRO A 75 5.283 6.370 -3.148 1.00 0.10 C ATOM 1131 C PRO A 75 4.634 5.535 -4.253 1.00 0.09 C ATOM 1132 O PRO A 75 4.191 6.052 -5.259 1.00 0.10 O ATOM 1133 CB PRO A 75 4.236 7.197 -2.375 1.00 0.12 C ATOM 1134 CG PRO A 75 4.275 8.628 -2.931 1.00 0.15 C ATOM 1135 CD PRO A 75 5.614 8.817 -3.665 1.00 0.16 C ATOM 0 HA PRO A 75 5.810 5.637 -2.538 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.242 6.766 -2.495 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.457 7.194 -1.308 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.440 8.795 -3.612 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.178 9.353 -2.123 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.472 9.217 -4.669 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.271 9.508 -3.137 1.00 0.16 H new ATOM 1143 N THR A 76 4.543 4.247 -4.046 1.00 0.09 N ATOM 1144 CA THR A 76 3.886 3.351 -5.046 1.00 0.09 C ATOM 1145 C THR A 76 2.783 2.580 -4.349 1.00 0.10 C ATOM 1146 O THR A 76 2.928 2.141 -3.225 1.00 0.12 O ATOM 1147 CB THR A 76 4.902 2.368 -5.642 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.919 3.085 -6.316 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.197 1.415 -6.615 1.00 0.13 C ATOM 0 H THR A 76 4.900 3.772 -3.217 1.00 0.09 H new ATOM 0 HA THR A 76 3.476 3.953 -5.857 1.00 0.09 H new ATOM 0 HB THR A 76 5.350 1.783 -4.839 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.689 3.199 -5.720 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.924 0.720 -7.034 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.426 0.857 -6.083 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.739 1.990 -7.420 1.00 0.13 H new ATOM 1157 N PHE A 77 1.675 2.423 -5.009 1.00 0.10 N ATOM 1158 CA PHE A 77 0.528 1.683 -4.416 1.00 0.10 C ATOM 1159 C PHE A 77 0.275 0.429 -5.243 1.00 0.10 C ATOM 1160 O PHE A 77 0.163 0.489 -6.451 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.715 2.575 -4.451 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.450 3.823 -3.642 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.628 3.813 -2.251 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.021 4.991 -4.285 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.377 4.974 -1.504 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.231 6.152 -3.538 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.054 6.143 -2.148 1.00 0.19 C ATOM 0 H PHE A 77 1.511 2.781 -5.950 1.00 0.10 H new ATOM 0 HA PHE A 77 0.750 1.408 -3.385 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.960 2.839 -5.480 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.574 2.040 -4.046 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.958 2.912 -1.755 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.116 4.998 -5.356 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.516 4.967 -0.433 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.561 7.052 -4.034 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.249 7.036 -1.573 1.00 0.19 H new ATOM 1177 N GLN A 78 0.167 -0.706 -4.601 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.096 -1.976 -5.344 1.00 0.09 C ATOM 1179 C GLN A 78 -1.351 -2.608 -4.788 1.00 0.08 C ATOM 1180 O GLN A 78 -1.609 -2.569 -3.601 1.00 0.09 O ATOM 1181 CB GLN A 78 1.078 -2.942 -5.181 1.00 0.09 C ATOM 1182 CG GLN A 78 2.288 -2.409 -5.949 1.00 0.12 C ATOM 1183 CD GLN A 78 3.404 -3.456 -5.939 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.140 -4.640 -5.899 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.648 -3.066 -5.974 1.00 0.29 N ATOM 0 H GLN A 78 0.250 -0.808 -3.590 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.220 -1.757 -6.405 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.325 -3.056 -4.126 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.804 -3.930 -5.552 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.005 -2.174 -6.975 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.640 -1.483 -5.495 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.870 -2.071 -6.008 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.399 -3.756 -5.968 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.144 -3.181 -5.644 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.415 -3.817 -5.192 1.00 0.07 C ATOM 1196 C PHE A 79 -3.307 -5.324 -5.274 1.00 0.07 C ATOM 1197 O PHE A 79 -2.808 -5.873 -6.234 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.546 -3.343 -6.090 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.714 -1.862 -5.884 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.817 -0.973 -6.481 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.754 -1.380 -5.086 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.961 0.401 -6.282 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.899 -0.006 -4.884 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.003 0.887 -5.482 1.00 0.12 C ATOM 0 H PHE A 79 -1.967 -3.238 -6.647 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.611 -3.536 -4.157 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.320 -3.559 -7.134 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.470 -3.869 -5.849 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.013 -1.349 -7.096 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.446 -2.070 -4.625 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.269 1.089 -6.745 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.702 0.367 -4.266 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.115 1.950 -5.327 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.794 -5.992 -4.266 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.759 -7.477 -4.245 1.00 0.08 C ATOM 1216 C PHE A 80 -5.145 -8.012 -3.910 1.00 0.09 C ATOM 1217 O PHE A 80 -5.891 -7.412 -3.161 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.754 -7.952 -3.196 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.351 -7.682 -3.682 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.730 -6.453 -3.422 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.665 -8.679 -4.386 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.576 -6.226 -3.870 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.642 -8.451 -4.830 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.263 -7.222 -4.572 1.00 0.15 C ATOM 0 H PHE A 80 -4.221 -5.563 -3.445 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.456 -7.848 -5.224 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.928 -7.437 -2.251 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.886 -9.017 -3.007 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.258 -5.684 -2.878 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.145 -9.625 -4.587 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.055 -5.278 -3.673 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.171 -9.221 -5.371 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.271 -7.044 -4.915 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.492 -9.147 -4.450 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.826 -9.738 -4.157 1.00 0.12 C ATOM 1236 C LYS A 81 -6.668 -11.257 -4.200 1.00 0.11 C ATOM 1237 O LYS A 81 -6.186 -11.806 -5.167 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.833 -9.270 -5.217 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.261 -9.441 -4.691 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.259 -9.078 -5.794 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.652 -8.919 -5.186 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.635 -8.630 -6.270 1.00 1.68 N ATOM 0 H LYS A 81 -4.907 -9.692 -5.083 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.193 -9.426 -3.179 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.651 -8.225 -5.467 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.703 -9.845 -6.134 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.420 -10.469 -4.367 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.418 -8.804 -3.820 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.956 -8.152 -6.284 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.271 -9.854 -6.559 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.935 -9.828 -4.656 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.652 -8.110 -4.455 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.584 -8.521 -5.858 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.366 -7.751 -6.757 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.641 -9.416 -6.952 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.031 -11.929 -3.146 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.868 -13.413 -3.103 1.00 0.13 C ATOM 1258 C LYS A 82 -5.383 -13.734 -3.277 1.00 0.13 C ATOM 1259 O LYS A 82 -5.019 -14.765 -3.806 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.674 -14.105 -4.218 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.166 -13.855 -4.011 1.00 0.20 C ATOM 1262 CD LYS A 82 -9.971 -14.847 -4.854 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.431 -14.401 -4.926 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.182 -15.327 -5.820 1.00 1.22 N ATOM 0 H LYS A 82 -7.436 -11.515 -2.306 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.241 -13.782 -2.148 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.364 -13.726 -5.192 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.472 -15.176 -4.214 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.421 -13.966 -2.957 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.417 -12.833 -4.294 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.551 -14.910 -5.858 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.907 -15.844 -4.418 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.873 -14.400 -3.930 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.494 -13.381 -5.304 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.177 -15.028 -5.873 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.763 -15.306 -6.772 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.131 -16.294 -5.440 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.520 -12.849 -2.849 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.059 -13.093 -3.000 1.00 0.16 C ATOM 1280 C GLY A 83 -2.643 -12.841 -4.453 1.00 0.16 C ATOM 1281 O GLY A 83 -1.576 -13.242 -4.872 1.00 0.23 O ATOM 0 H GLY A 83 -4.767 -11.967 -2.401 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.500 -12.438 -2.332 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.820 -14.118 -2.715 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.484 -12.184 -5.229 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.149 -11.916 -6.671 1.00 0.15 C ATOM 1287 C GLN A 84 -3.010 -10.411 -6.919 1.00 0.12 C ATOM 1288 O GLN A 84 -3.856 -9.639 -6.532 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.294 -12.428 -7.564 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.535 -13.926 -7.347 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.309 -14.727 -7.777 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.319 -15.374 -8.805 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.254 -14.716 -7.022 1.00 2.07 N ATOM 0 H GLN A 84 -4.388 -11.822 -4.924 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.211 -12.421 -6.903 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.207 -11.874 -7.344 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.053 -12.243 -8.611 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.753 -14.118 -6.296 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.406 -14.248 -7.917 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.250 -14.171 -6.160 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.429 -15.252 -7.291 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.973 -9.996 -7.612 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.808 -8.538 -7.919 1.00 0.12 C ATOM 1304 C LYS A 85 -2.733 -8.186 -9.081 1.00 0.14 C ATOM 1305 O LYS A 85 -2.677 -8.797 -10.131 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.356 -8.257 -8.329 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.172 -6.753 -8.579 1.00 0.20 C ATOM 1308 CD LYS A 85 1.265 -6.461 -9.042 1.00 0.28 C ATOM 1309 CE LYS A 85 1.404 -6.715 -10.549 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.761 -6.292 -10.996 1.00 1.82 N ATOM 0 H LYS A 85 -1.237 -10.601 -7.976 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.053 -7.942 -7.040 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.325 -8.591 -7.546 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.107 -8.819 -9.229 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.881 -6.414 -9.334 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.388 -6.197 -7.667 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.523 -5.427 -8.816 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.965 -7.092 -8.494 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.250 -7.772 -10.767 1.00 1.28 H new ATOM 0 HE3 LYS A 85 0.640 -6.162 -11.095 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.859 -6.463 -12.017 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.891 -5.279 -10.800 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.482 -6.839 -10.483 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.593 -7.214 -8.898 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.542 -6.818 -9.986 1.00 0.18 C ATOM 1326 C VAL A 86 -4.403 -5.327 -10.320 1.00 0.17 C ATOM 1327 O VAL A 86 -5.204 -4.783 -11.056 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.972 -7.104 -9.528 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.175 -8.617 -9.365 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.218 -6.413 -8.184 1.00 0.26 C ATOM 0 H VAL A 86 -3.679 -6.675 -8.037 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.308 -7.394 -10.881 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.672 -6.726 -10.273 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.196 -8.814 -9.038 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.997 -9.113 -10.319 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.476 -9.000 -8.621 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.237 -6.614 -7.853 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.514 -6.795 -7.444 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.078 -5.338 -8.297 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.413 -4.648 -9.798 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.286 -3.193 -10.132 1.00 0.17 C ATOM 1342 C GLY A 87 -2.076 -2.560 -9.432 1.00 0.12 C ATOM 1343 O GLY A 87 -1.656 -2.991 -8.378 1.00 0.17 O ATOM 0 H GLY A 87 -2.702 -5.024 -9.170 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.187 -3.073 -11.211 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.195 -2.670 -9.835 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.527 -1.524 -10.021 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.352 -0.828 -9.412 1.00 0.13 C ATOM 1349 C GLU A 88 -0.147 0.522 -10.086 1.00 0.11 C ATOM 1350 O GLU A 88 -0.370 0.674 -11.271 1.00 0.14 O ATOM 1351 CB GLU A 88 0.912 -1.689 -9.600 1.00 0.21 C ATOM 1352 CG GLU A 88 2.179 -0.903 -9.211 1.00 0.58 C ATOM 1353 CD GLU A 88 2.616 0.022 -10.358 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.057 -0.094 -11.437 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.501 0.832 -10.134 1.00 1.87 O ATOM 0 H GLU A 88 -1.847 -1.129 -10.905 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.537 -0.677 -8.348 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.837 -2.589 -8.990 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.985 -2.012 -10.638 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.987 -0.314 -8.315 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.984 -1.597 -8.970 1.00 0.58 H new ATOM 1362 N PHE A 89 0.332 1.490 -9.356 1.00 0.10 N ATOM 1363 CA PHE A 89 0.612 2.813 -9.989 1.00 0.09 C ATOM 1364 C PHE A 89 1.515 3.632 -9.070 1.00 0.10 C ATOM 1365 O PHE A 89 1.642 3.348 -7.895 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.684 3.583 -10.276 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.346 4.067 -9.001 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.891 5.244 -8.395 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.428 3.371 -8.450 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.517 5.729 -7.240 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.052 3.853 -7.287 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.597 5.035 -6.683 1.00 0.14 C ATOM 0 H PHE A 89 0.541 1.426 -8.360 1.00 0.10 H new ATOM 0 HA PHE A 89 1.112 2.640 -10.942 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.465 4.436 -10.918 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.375 2.941 -10.823 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.055 5.780 -8.819 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.783 2.465 -8.918 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.166 6.640 -6.778 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.883 3.313 -6.857 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.079 5.408 -5.791 1.00 0.14 H new ATOM 1382 N SER A 90 2.149 4.647 -9.604 1.00 0.10 N ATOM 1383 CA SER A 90 3.061 5.504 -8.784 1.00 0.10 C ATOM 1384 C SER A 90 2.641 6.953 -8.907 1.00 0.09 C ATOM 1385 O SER A 90 1.948 7.337 -9.827 1.00 0.11 O ATOM 1386 CB SER A 90 4.497 5.388 -9.289 1.00 0.11 C ATOM 1387 OG SER A 90 4.551 5.812 -10.645 1.00 0.12 O ATOM 0 H SER A 90 2.073 4.921 -10.584 1.00 0.10 H new ATOM 0 HA SER A 90 3.003 5.171 -7.748 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.161 5.999 -8.678 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.843 4.358 -9.203 1.00 0.11 H new ATOM 0 HG SER A 90 5.472 5.741 -10.974 1.00 0.12 H new ATOM 1393 N GLY A 91 3.060 7.761 -7.976 1.00 0.09 N ATOM 1394 CA GLY A 91 2.709 9.207 -8.005 1.00 0.09 C ATOM 1395 C GLY A 91 1.981 9.564 -6.716 1.00 0.10 C ATOM 1396 O GLY A 91 1.178 8.805 -6.212 1.00 0.12 O ATOM 0 H GLY A 91 3.639 7.477 -7.185 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.610 9.812 -8.109 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.078 9.425 -8.867 1.00 0.09 H new ATOM 1400 N ALA A 92 2.253 10.712 -6.176 1.00 0.11 N ATOM 1401 CA ALA A 92 1.571 11.109 -4.919 1.00 0.14 C ATOM 1402 C ALA A 92 0.134 11.540 -5.240 1.00 0.13 C ATOM 1403 O ALA A 92 -0.226 12.691 -5.080 1.00 0.17 O ATOM 1404 CB ALA A 92 2.342 12.281 -4.310 1.00 0.18 C ATOM 0 H ALA A 92 2.916 11.392 -6.548 1.00 0.11 H new ATOM 0 HA ALA A 92 1.542 10.276 -4.216 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.859 12.592 -3.383 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.366 11.973 -4.100 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.351 13.115 -5.012 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.696 10.615 -5.686 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.121 10.952 -6.017 1.00 0.14 C ATOM 1412 C ASN A 93 -3.054 10.111 -5.133 1.00 0.13 C ATOM 1413 O ASN A 93 -3.414 9.003 -5.478 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.379 10.623 -7.492 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.737 11.190 -7.916 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.184 10.964 -9.023 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.417 11.924 -7.077 1.00 0.75 N ATOM 0 H ASN A 93 -0.443 9.638 -5.834 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.307 12.011 -5.839 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.588 11.044 -8.113 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.361 9.544 -7.643 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.322 12.307 -7.351 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -4.043 12.115 -6.147 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.450 10.627 -3.997 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.356 9.852 -3.092 1.00 0.15 C ATOM 1426 C LYS A 94 -5.749 9.683 -3.706 1.00 0.15 C ATOM 1427 O LYS A 94 -6.419 8.699 -3.475 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.504 10.596 -1.767 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.877 12.082 -2.011 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.689 12.985 -1.667 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.089 14.438 -1.878 1.00 0.59 C ATOM 1432 NZ LYS A 94 -5.058 14.848 -0.828 1.00 1.06 N ATOM 0 H LYS A 94 -3.186 11.551 -3.656 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.914 8.867 -2.940 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.273 10.118 -1.160 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.572 10.537 -1.205 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.164 12.227 -3.052 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.739 12.354 -1.402 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.383 12.826 -0.633 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.833 12.736 -2.295 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -3.207 15.077 -1.842 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.533 14.563 -2.865 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -5.355 15.831 -0.995 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -5.890 14.224 -0.860 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -4.608 14.776 0.107 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.202 10.633 -4.470 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.557 10.505 -5.064 1.00 0.15 C ATOM 1448 C GLU A 95 -7.583 9.295 -5.988 1.00 0.15 C ATOM 1449 O GLU A 95 -8.597 8.650 -6.172 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.873 11.773 -5.851 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.934 12.961 -4.890 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.154 12.813 -3.978 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.006 11.997 -4.290 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.215 13.514 -2.982 1.00 1.55 O ATOM 0 H GLU A 95 -5.697 11.487 -4.708 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.303 10.372 -4.281 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.110 11.943 -6.610 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.823 11.664 -6.373 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.023 13.008 -4.293 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.996 13.894 -5.450 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.465 8.991 -6.569 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.379 7.830 -7.492 1.00 0.15 C ATOM 1463 C LYS A 96 -6.726 6.557 -6.727 1.00 0.14 C ATOM 1464 O LYS A 96 -7.337 5.646 -7.252 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.949 7.750 -8.009 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.852 6.770 -9.179 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.557 7.040 -9.946 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.417 6.025 -11.077 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.115 6.232 -11.765 1.00 1.45 N ATOM 0 H LYS A 96 -5.592 9.504 -6.443 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.074 7.942 -8.324 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.616 8.738 -8.327 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.284 7.433 -7.206 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.866 5.743 -8.813 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.712 6.885 -9.839 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.565 8.052 -10.350 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.702 6.972 -9.273 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.475 5.011 -10.681 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.238 6.137 -11.786 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -1.883 5.390 -12.329 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.181 7.060 -12.390 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.370 6.391 -11.057 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.340 6.491 -5.484 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.645 5.287 -4.668 1.00 0.13 C ATOM 1485 C LEU A 97 -8.151 5.103 -4.607 1.00 0.14 C ATOM 1486 O LEU A 97 -8.667 4.004 -4.636 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.167 5.510 -3.230 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.640 5.497 -3.133 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.242 6.008 -1.744 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.111 4.063 -3.322 1.00 0.19 C ATOM 0 H LEU A 97 -5.824 7.224 -4.997 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.153 4.422 -5.113 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.547 6.464 -2.864 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.579 4.734 -2.585 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.214 6.132 -3.910 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.156 6.007 -1.653 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.616 7.023 -1.609 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.670 5.358 -0.981 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.023 4.064 -3.251 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.524 3.418 -2.547 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.410 3.691 -4.302 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.850 6.184 -4.487 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.331 6.099 -4.369 1.00 0.15 C ATOM 1504 C GLU A 98 -10.931 5.450 -5.616 1.00 0.16 C ATOM 1505 O GLU A 98 -11.824 4.634 -5.528 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.904 7.510 -4.185 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.411 7.434 -3.906 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.183 7.165 -5.202 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.611 7.350 -6.263 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.336 6.782 -5.108 1.00 2.10 O ATOM 0 H GLU A 98 -8.465 7.128 -4.465 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.586 5.484 -3.506 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.398 8.012 -3.360 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.721 8.105 -5.080 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.614 6.643 -3.184 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.752 8.368 -3.460 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.463 5.816 -6.773 1.00 0.16 N ATOM 1518 CA ALA A 99 -11.036 5.224 -8.017 1.00 0.17 C ATOM 1519 C ALA A 99 -10.675 3.742 -8.148 1.00 0.16 C ATOM 1520 O ALA A 99 -11.500 2.925 -8.511 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.505 5.982 -9.236 1.00 0.19 C ATOM 0 H ALA A 99 -9.714 6.494 -6.915 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.121 5.309 -7.963 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.924 5.549 -10.144 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.794 7.031 -9.167 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.418 5.907 -9.266 1.00 0.19 H new ATOM 1527 N THR A 100 -9.450 3.385 -7.887 1.00 0.16 N ATOM 1528 CA THR A 100 -9.053 1.957 -8.036 1.00 0.16 C ATOM 1529 C THR A 100 -9.784 1.099 -6.999 1.00 0.15 C ATOM 1530 O THR A 100 -10.244 0.013 -7.295 1.00 0.15 O ATOM 1531 CB THR A 100 -7.539 1.828 -7.863 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.891 2.724 -8.755 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.112 0.398 -8.187 1.00 0.20 C ATOM 0 H THR A 100 -8.710 4.015 -7.579 1.00 0.16 H new ATOM 0 HA THR A 100 -9.328 1.606 -9.031 1.00 0.16 H new ATOM 0 HB THR A 100 -7.265 2.067 -6.835 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.947 3.636 -8.401 1.00 0.19 H new ATOM 0 HG21 THR A 100 -6.033 0.304 -8.064 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.616 -0.294 -7.512 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.382 0.162 -9.216 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.924 1.586 -5.797 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.654 0.802 -4.757 1.00 0.13 C ATOM 1543 C ILE A 101 -12.083 0.607 -5.239 1.00 0.14 C ATOM 1544 O ILE A 101 -12.598 -0.489 -5.265 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.652 1.587 -3.440 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.236 1.591 -2.846 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.624 0.946 -2.443 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.114 2.706 -1.805 1.00 0.16 C ATOM 0 H ILE A 101 -9.566 2.490 -5.489 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.176 -0.164 -4.593 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.969 2.611 -3.637 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.022 0.626 -2.386 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.500 1.737 -3.637 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.615 1.511 -1.511 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.631 0.952 -2.861 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.319 -0.082 -2.247 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.108 2.705 -1.387 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.309 3.668 -2.278 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.839 2.540 -1.008 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.715 1.671 -5.644 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.105 1.571 -6.155 1.00 0.20 C ATOM 1562 C ASN A 102 -14.110 0.643 -7.368 1.00 0.19 C ATOM 1563 O ASN A 102 -15.049 -0.083 -7.613 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.602 2.966 -6.559 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.069 2.890 -6.992 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.397 2.221 -7.952 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.969 3.559 -6.323 1.00 0.55 N ATOM 0 H ASN A 102 -12.323 2.613 -5.642 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.764 1.172 -5.384 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.496 3.656 -5.722 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.993 3.357 -7.374 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.948 3.520 -6.606 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.693 4.120 -5.517 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.062 0.684 -8.137 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.981 -0.169 -9.352 1.00 0.18 C ATOM 1576 C GLU A 103 -12.873 -1.647 -8.960 1.00 0.16 C ATOM 1577 O GLU A 103 -13.454 -2.507 -9.592 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.720 0.226 -10.124 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.713 -0.456 -11.495 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.397 -0.142 -12.213 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.358 -0.262 -11.584 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -10.452 0.213 -13.378 1.00 2.21 O ATOM 0 H GLU A 103 -12.249 1.278 -7.974 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.876 -0.028 -9.958 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.682 1.308 -10.246 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.833 -0.062 -9.560 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.828 -1.534 -11.378 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.557 -0.108 -12.091 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.114 -1.950 -7.936 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.938 -3.378 -7.515 1.00 0.14 C ATOM 1591 C LEU A 104 -12.845 -3.729 -6.321 1.00 0.13 C ATOM 1592 O LEU A 104 -12.862 -4.857 -5.869 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.469 -3.599 -7.126 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.550 -3.313 -8.321 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.091 -3.459 -7.878 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.842 -4.297 -9.469 1.00 0.25 C ATOM 0 H LEU A 104 -11.607 -1.269 -7.371 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.217 -4.024 -8.347 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.205 -2.948 -6.292 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.326 -4.625 -6.787 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.731 -2.299 -8.676 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.432 -3.257 -8.723 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.881 -2.750 -7.077 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.920 -4.474 -7.519 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.182 -4.082 -10.310 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.671 -5.317 -9.126 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.880 -4.190 -9.785 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.597 -2.793 -5.802 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.484 -3.125 -4.641 1.00 0.15 C ATOM 1610 C VAL A 105 -15.569 -4.106 -5.097 1.00 0.16 C ATOM 1611 O VAL A 105 -15.926 -4.972 -4.316 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.151 -1.850 -4.095 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.260 -1.373 -5.050 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.754 -2.144 -2.717 1.00 0.19 C ATOM 1615 OXT VAL A 105 -16.028 -3.969 -6.221 1.00 1.08 O ATOM 0 H VAL A 105 -13.638 -1.826 -6.124 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.880 -3.575 -3.853 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.399 -1.065 -4.011 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.722 -0.471 -4.649 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.830 -1.157 -6.028 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -17.015 -2.153 -5.150 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.227 -1.243 -2.327 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.498 -2.935 -2.807 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.966 -2.463 -2.035 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 15.146 17.963 -12.320 1.00 1.11 N ATOM 1627 CA PRO B 59 15.186 16.468 -12.412 1.00 1.14 C ATOM 1628 C PRO B 59 14.650 15.806 -11.134 1.00 1.00 C ATOM 1629 O PRO B 59 14.261 14.653 -11.136 1.00 1.04 O ATOM 1630 CB PRO B 59 16.687 16.153 -12.595 1.00 1.33 C ATOM 1631 CG PRO B 59 17.400 17.373 -12.100 1.00 1.46 C ATOM 1632 CD PRO B 59 16.488 18.547 -12.423 1.00 1.26 C ATOM 0 HA PRO B 59 14.563 16.089 -13.222 1.00 1.14 H new ATOM 0 HB2 PRO B 59 16.977 15.269 -12.028 1.00 1.33 H new ATOM 0 HB3 PRO B 59 16.924 15.953 -13.640 1.00 1.33 H new ATOM 0 HG2 PRO B 59 17.588 17.308 -11.028 1.00 1.46 H new ATOM 0 HG3 PRO B 59 18.368 17.485 -12.588 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.625 19.369 -11.721 1.00 1.26 H new ATOM 0 HD3 PRO B 59 16.680 18.944 -13.420 1.00 1.26 H new ATOM 1640 N ALA B 60 14.624 16.529 -10.042 1.00 0.88 N ATOM 1641 CA ALA B 60 14.114 15.944 -8.763 1.00 0.76 C ATOM 1642 C ALA B 60 12.637 16.307 -8.587 1.00 0.61 C ATOM 1643 O ALA B 60 12.280 17.466 -8.529 1.00 0.61 O ATOM 1644 CB ALA B 60 14.919 16.513 -7.589 1.00 0.78 C ATOM 0 H ALA B 60 14.934 17.499 -9.981 1.00 0.88 H new ATOM 0 HA ALA B 60 14.221 14.860 -8.791 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.550 16.089 -6.655 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.972 16.258 -7.712 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.809 17.597 -7.564 1.00 0.78 H new ATOM 1650 N THR B 61 11.775 15.320 -8.497 1.00 0.54 N ATOM 1651 CA THR B 61 10.311 15.602 -8.322 1.00 0.44 C ATOM 1652 C THR B 61 9.906 15.335 -6.869 1.00 0.34 C ATOM 1653 O THR B 61 10.149 14.274 -6.328 1.00 0.32 O ATOM 1654 CB THR B 61 9.505 14.679 -9.243 1.00 0.51 C ATOM 1655 OG1 THR B 61 10.006 14.782 -10.568 1.00 0.70 O ATOM 1656 CG2 THR B 61 8.028 15.089 -9.229 1.00 0.47 C ATOM 0 H THR B 61 12.021 14.331 -8.537 1.00 0.54 H new ATOM 0 HA THR B 61 10.111 16.644 -8.572 1.00 0.44 H new ATOM 0 HB THR B 61 9.598 13.652 -8.891 1.00 0.51 H new ATOM 0 HG1 THR B 61 9.493 14.191 -11.158 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.461 14.429 -9.886 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.639 15.013 -8.214 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.933 16.117 -9.578 1.00 0.47 H new ATOM 1664 N LEU B 62 9.278 16.290 -6.242 1.00 0.34 N ATOM 1665 CA LEU B 62 8.833 16.101 -4.834 1.00 0.32 C ATOM 1666 C LEU B 62 7.711 15.057 -4.789 1.00 0.23 C ATOM 1667 O LEU B 62 7.560 14.332 -3.825 1.00 0.25 O ATOM 1668 CB LEU B 62 8.296 17.428 -4.289 1.00 0.40 C ATOM 1669 CG LEU B 62 9.442 18.434 -4.094 1.00 0.50 C ATOM 1670 CD1 LEU B 62 8.850 19.831 -3.863 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.311 18.039 -2.885 1.00 0.55 C ATOM 0 H LEU B 62 9.053 17.199 -6.647 1.00 0.34 H new ATOM 0 HA LEU B 62 9.676 15.765 -4.231 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.557 17.838 -4.978 1.00 0.40 H new ATOM 0 HB3 LEU B 62 7.787 17.259 -3.340 1.00 0.40 H new ATOM 0 HG LEU B 62 10.068 18.435 -4.986 1.00 0.50 H new ATOM 0 HD11 LEU B 62 9.657 20.550 -3.724 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.252 20.120 -4.727 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.220 19.817 -2.974 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.116 18.763 -2.764 1.00 0.55 H new ATOM 0 HD22 LEU B 62 9.697 18.025 -1.985 1.00 0.55 H new ATOM 0 HD23 LEU B 62 10.735 17.049 -3.050 1.00 0.55 H new ATOM 1683 N LYS B 63 6.909 14.998 -5.817 1.00 0.19 N ATOM 1684 CA LYS B 63 5.778 14.026 -5.837 1.00 0.14 C ATOM 1685 C LYS B 63 6.326 12.598 -5.761 1.00 0.12 C ATOM 1686 O LYS B 63 5.606 11.667 -5.444 1.00 0.12 O ATOM 1687 CB LYS B 63 4.989 14.176 -7.146 1.00 0.17 C ATOM 1688 CG LYS B 63 4.446 15.605 -7.298 1.00 0.20 C ATOM 1689 CD LYS B 63 3.588 15.992 -6.083 1.00 0.40 C ATOM 1690 CE LYS B 63 2.635 17.130 -6.464 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.793 17.482 -5.288 1.00 1.31 N ATOM 0 H LYS B 63 6.989 15.584 -6.648 1.00 0.19 H new ATOM 0 HA LYS B 63 5.128 14.224 -4.985 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.632 13.935 -7.993 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.163 13.465 -7.161 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.275 16.305 -7.402 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.851 15.678 -8.208 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.019 15.129 -5.738 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.229 16.302 -5.258 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.203 18.000 -6.793 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.004 16.827 -7.300 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.145 18.254 -5.544 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.242 16.650 -4.994 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.403 17.788 -4.503 1.00 1.31 H new ATOM 1705 N ILE B 64 7.585 12.418 -6.090 1.00 0.11 N ATOM 1706 CA ILE B 64 8.214 11.050 -6.068 1.00 0.11 C ATOM 1707 C ILE B 64 9.561 11.105 -5.326 1.00 0.10 C ATOM 1708 O ILE B 64 10.317 12.045 -5.480 1.00 0.11 O ATOM 1709 CB ILE B 64 8.480 10.598 -7.516 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.155 10.383 -8.267 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.293 9.298 -7.538 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.281 9.328 -7.567 1.00 0.15 C ATOM 0 H ILE B 64 8.214 13.168 -6.377 1.00 0.11 H new ATOM 0 HA ILE B 64 7.542 10.356 -5.564 1.00 0.11 H new ATOM 0 HB ILE B 64 9.050 11.384 -8.011 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.612 11.326 -8.328 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.361 10.067 -9.290 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.470 8.997 -8.571 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.248 9.458 -7.038 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.740 8.514 -7.021 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.352 9.199 -8.122 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.816 8.379 -7.529 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.055 9.657 -6.553 1.00 0.15 H new ATOM 1724 N CYS B 65 9.891 10.090 -4.557 1.00 0.09 N ATOM 1725 CA CYS B 65 11.220 10.068 -3.864 1.00 0.10 C ATOM 1726 C CYS B 65 12.144 9.168 -4.697 1.00 0.10 C ATOM 1727 O CYS B 65 11.809 8.038 -4.999 1.00 0.11 O ATOM 1728 CB CYS B 65 11.099 9.495 -2.438 1.00 0.10 C ATOM 1729 SG CYS B 65 9.705 10.257 -1.558 1.00 0.19 S ATOM 0 H CYS B 65 9.298 9.279 -4.381 1.00 0.09 H new ATOM 0 HA CYS B 65 11.611 11.082 -3.778 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.960 8.415 -2.485 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.024 9.673 -1.889 1.00 0.10 H new ATOM 1734 N SER B 66 13.284 9.661 -5.103 1.00 0.12 N ATOM 1735 CA SER B 66 14.201 8.831 -5.948 1.00 0.14 C ATOM 1736 C SER B 66 14.958 7.818 -5.079 1.00 0.14 C ATOM 1737 O SER B 66 15.383 8.120 -3.983 1.00 0.15 O ATOM 1738 CB SER B 66 15.198 9.749 -6.657 1.00 0.18 C ATOM 1739 OG SER B 66 14.488 10.633 -7.516 1.00 0.20 O ATOM 0 H SER B 66 13.622 10.599 -4.888 1.00 0.12 H new ATOM 0 HA SER B 66 13.612 8.285 -6.685 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.772 10.317 -5.925 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.910 9.158 -7.232 1.00 0.18 H new ATOM 0 HG SER B 66 15.122 11.225 -7.972 1.00 0.20 H new ATOM 1745 N TRP B 67 15.143 6.619 -5.571 1.00 0.15 N ATOM 1746 CA TRP B 67 15.877 5.586 -4.778 1.00 0.16 C ATOM 1747 C TRP B 67 17.373 5.901 -4.802 1.00 0.19 C ATOM 1748 O TRP B 67 18.153 5.321 -4.074 1.00 0.21 O ATOM 1749 CB TRP B 67 15.627 4.192 -5.374 1.00 0.16 C ATOM 1750 CG TRP B 67 14.208 3.799 -5.109 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.131 4.497 -5.517 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.694 2.641 -4.385 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.993 3.848 -5.091 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.289 2.703 -4.385 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.301 1.554 -3.734 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.514 1.733 -3.759 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.525 0.572 -3.106 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.134 0.664 -3.114 1.00 0.16 C ATOM 0 H TRP B 67 14.818 6.311 -6.487 1.00 0.15 H new ATOM 0 HA TRP B 67 15.519 5.597 -3.748 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.822 4.200 -6.446 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.308 3.465 -4.932 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.155 5.415 -6.085 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.045 4.176 -5.276 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.378 1.475 -3.718 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.437 1.807 -3.772 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.006 -0.260 -2.613 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.538 -0.091 -2.622 1.00 0.16 H new ATOM 1769 N ASN B 68 17.775 6.826 -5.625 1.00 0.23 N ATOM 1770 CA ASN B 68 19.217 7.189 -5.699 1.00 0.27 C ATOM 1771 C ASN B 68 19.726 7.479 -4.289 1.00 0.26 C ATOM 1772 O ASN B 68 20.914 7.584 -4.054 1.00 0.30 O ATOM 1773 CB ASN B 68 19.373 8.451 -6.548 1.00 0.34 C ATOM 1774 CG ASN B 68 19.055 8.132 -8.008 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.187 8.979 -8.869 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.635 6.940 -8.326 1.00 0.40 N ATOM 0 H ASN B 68 17.165 7.349 -6.253 1.00 0.23 H new ATOM 0 HA ASN B 68 19.783 6.370 -6.143 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.706 9.232 -6.183 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.390 8.835 -6.463 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.417 6.718 -9.298 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.524 6.229 -7.603 1.00 0.40 H new ATOM 1783 N VAL B 69 18.834 7.613 -3.349 1.00 0.26 N ATOM 1784 CA VAL B 69 19.267 7.899 -1.954 1.00 0.33 C ATOM 1785 C VAL B 69 20.089 6.720 -1.422 1.00 0.41 C ATOM 1786 O VAL B 69 19.816 5.574 -1.719 1.00 0.49 O ATOM 1787 CB VAL B 69 18.032 8.113 -1.079 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.382 9.444 -1.457 1.00 0.99 C ATOM 1789 CG2 VAL B 69 17.034 6.973 -1.315 1.00 1.04 C ATOM 0 H VAL B 69 17.826 7.537 -3.486 1.00 0.26 H new ATOM 0 HA VAL B 69 19.883 8.798 -1.935 1.00 0.33 H new ATOM 0 HB VAL B 69 18.321 8.127 -0.028 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.499 9.607 -0.838 1.00 0.99 H new ATOM 0 HG12 VAL B 69 18.093 10.255 -1.296 1.00 0.99 H new ATOM 0 HG13 VAL B 69 17.090 9.421 -2.507 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.153 7.125 -0.691 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.738 6.960 -2.364 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.500 6.022 -1.058 1.00 1.04 H new ATOM 1799 N ASP B 70 21.102 6.993 -0.643 1.00 0.49 N ATOM 1800 CA ASP B 70 21.944 5.888 -0.105 1.00 0.64 C ATOM 1801 C ASP B 70 21.070 4.953 0.728 1.00 0.76 C ATOM 1802 O ASP B 70 21.251 3.749 0.725 1.00 0.90 O ATOM 1803 CB ASP B 70 23.047 6.464 0.786 1.00 0.74 C ATOM 1804 CG ASP B 70 24.068 7.208 -0.076 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.414 6.693 -1.126 1.00 1.36 O ATOM 1806 OD2 ASP B 70 24.484 8.281 0.328 1.00 1.32 O ATOM 0 H ASP B 70 21.381 7.931 -0.357 1.00 0.49 H new ATOM 0 HA ASP B 70 22.394 5.341 -0.933 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.616 7.142 1.523 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.538 5.663 1.338 1.00 0.74 H new ATOM 1811 N GLY B 71 20.129 5.495 1.447 1.00 0.77 N ATOM 1812 CA GLY B 71 19.247 4.640 2.283 1.00 0.96 C ATOM 1813 C GLY B 71 18.347 3.804 1.374 1.00 1.62 C ATOM 1814 O GLY B 71 17.360 4.339 0.899 1.00 2.29 O ATOM 1815 OXT GLY B 71 18.665 2.646 1.160 1.00 2.32 O ATOM 0 H GLY B 71 19.933 6.495 1.491 1.00 0.77 H new ATOM 0 HA2 GLY B 71 19.848 3.989 2.918 1.00 0.96 H new ATOM 0 HA3 GLY B 71 18.641 5.259 2.944 1.00 0.96 H new TER 1819 GLY B 71