USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot 170:sc= -0.673 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.763 K(o=-1.4,f=-2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 1.25 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 20 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.14) USER MOD Single : A 26 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.93) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -0.29 (180deg=-3.07!) USER MOD Single : A 38 TYR OH : rot 128:sc= 0.0917 USER MOD Single : A 41 MET CE :methyl -109:sc= -6.54! (180deg=-15.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.596 K(o=-0.6,f=-1.4) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -148:sc= 0.0464 USER MOD Single : A 56 MET CE :methyl -158:sc= -0.371 (180deg=-1.63!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.51) USER MOD Single : A 68 GLN : amide:sc= -9.07! C(o=-9.1!,f=-5.5!) USER MOD Single : A 70 GLN : amide:sc= -0.845 X(o=-0.85,f=-0.39) USER MOD Single : A 74 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.64) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -40:sc= -2.29 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 30:sc= 0.367 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.081) USER MOD Single : A 100 ASN : amide:sc= -1.04 K(o=-1,f=-1.7) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.693 K(o=-0.69,f=-4.7!) USER MOD Single : A 104 SER OG : rot 45:sc= 0.585 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.586 4.112 -0.198 1.00 0.00 N ATOM 2 CA GLY A 1 19.974 5.510 -0.276 1.00 0.00 C ATOM 3 C GLY A 1 20.736 5.939 0.980 1.00 0.00 C ATOM 4 O GLY A 1 21.905 5.595 1.149 1.00 0.00 O ATOM 0 H1 GLY A 1 19.071 3.846 -1.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.436 3.520 -0.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.973 3.968 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.597 5.669 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.087 6.131 -0.397 1.00 0.00 H new ATOM 8 N SER A 2 20.042 6.684 1.829 1.00 0.00 N ATOM 9 CA SER A 2 20.639 7.163 3.064 1.00 0.00 C ATOM 10 C SER A 2 21.813 8.092 2.752 1.00 0.00 C ATOM 11 O SER A 2 22.833 7.653 2.222 1.00 0.00 O ATOM 12 CB SER A 2 21.102 5.997 3.940 1.00 0.00 C ATOM 13 OG SER A 2 20.721 6.169 5.302 1.00 0.00 O ATOM 0 H SER A 2 19.073 6.967 1.686 1.00 0.00 H new ATOM 0 HA SER A 2 19.882 7.719 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.679 5.067 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.186 5.903 3.876 1.00 0.00 H new ATOM 0 HG SER A 2 21.033 5.403 5.828 1.00 0.00 H new ATOM 19 N SER A 3 21.631 9.359 3.094 1.00 0.00 N ATOM 20 CA SER A 3 22.663 10.354 2.857 1.00 0.00 C ATOM 21 C SER A 3 23.016 10.397 1.369 1.00 0.00 C ATOM 22 O SER A 3 22.653 9.497 0.614 1.00 0.00 O ATOM 23 CB SER A 3 23.912 10.062 3.690 1.00 0.00 C ATOM 24 OG SER A 3 23.769 10.500 5.039 1.00 0.00 O ATOM 0 H SER A 3 20.784 9.719 3.533 1.00 0.00 H new ATOM 0 HA SER A 3 22.276 11.327 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.115 8.991 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.773 10.555 3.238 1.00 0.00 H new ATOM 0 HG SER A 3 24.587 10.294 5.538 1.00 0.00 H new ATOM 30 N GLY A 4 23.721 11.454 0.991 1.00 0.00 N ATOM 31 CA GLY A 4 24.127 11.626 -0.393 1.00 0.00 C ATOM 32 C GLY A 4 22.994 12.228 -1.227 1.00 0.00 C ATOM 33 O GLY A 4 22.137 12.935 -0.698 1.00 0.00 O ATOM 0 H GLY A 4 24.021 12.199 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.002 12.274 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.420 10.663 -0.812 1.00 0.00 H new ATOM 37 N SER A 5 23.025 11.925 -2.516 1.00 0.00 N ATOM 38 CA SER A 5 22.011 12.426 -3.428 1.00 0.00 C ATOM 39 C SER A 5 21.285 11.258 -4.097 1.00 0.00 C ATOM 40 O SER A 5 21.833 10.608 -4.986 1.00 0.00 O ATOM 41 CB SER A 5 22.627 13.344 -4.486 1.00 0.00 C ATOM 42 OG SER A 5 22.194 14.693 -4.340 1.00 0.00 O ATOM 0 H SER A 5 23.737 11.338 -2.951 1.00 0.00 H new ATOM 0 HA SER A 5 21.293 13.010 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.714 13.302 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.360 12.983 -5.479 1.00 0.00 H new ATOM 0 HG SER A 5 22.611 15.247 -5.033 1.00 0.00 H new ATOM 48 N SER A 6 20.062 11.025 -3.643 1.00 0.00 N ATOM 49 CA SER A 6 19.254 9.946 -4.186 1.00 0.00 C ATOM 50 C SER A 6 17.872 9.945 -3.530 1.00 0.00 C ATOM 51 O SER A 6 17.764 9.951 -2.304 1.00 0.00 O ATOM 52 CB SER A 6 19.938 8.592 -3.987 1.00 0.00 C ATOM 53 OG SER A 6 20.789 8.258 -5.080 1.00 0.00 O ATOM 0 H SER A 6 19.611 11.565 -2.905 1.00 0.00 H new ATOM 0 HA SER A 6 19.139 10.110 -5.257 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.521 8.612 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.181 7.817 -3.867 1.00 0.00 H new ATOM 0 HG SER A 6 21.180 9.076 -5.452 1.00 0.00 H new ATOM 59 N GLY A 7 16.851 9.937 -4.374 1.00 0.00 N ATOM 60 CA GLY A 7 15.481 9.935 -3.891 1.00 0.00 C ATOM 61 C GLY A 7 14.513 9.489 -4.989 1.00 0.00 C ATOM 62 O GLY A 7 14.926 9.232 -6.118 1.00 0.00 O ATOM 0 H GLY A 7 16.945 9.932 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.395 9.268 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.211 10.934 -3.547 1.00 0.00 H new ATOM 66 N PRO A 8 13.210 9.410 -4.609 1.00 0.00 N ATOM 67 CA PRO A 8 12.180 9.000 -5.548 1.00 0.00 C ATOM 68 C PRO A 8 11.859 10.124 -6.535 1.00 0.00 C ATOM 69 O PRO A 8 11.834 11.295 -6.161 1.00 0.00 O ATOM 70 CB PRO A 8 10.991 8.611 -4.684 1.00 0.00 C ATOM 71 CG PRO A 8 11.234 9.254 -3.328 1.00 0.00 C ATOM 72 CD PRO A 8 12.684 9.707 -3.279 1.00 0.00 C ATOM 0 HA PRO A 8 12.491 8.164 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.057 8.964 -5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.911 7.528 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.564 10.102 -3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.029 8.544 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.759 10.770 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.239 9.176 -2.506 1.00 0.00 H new ATOM 80 N ASP A 9 11.622 9.728 -7.777 1.00 0.00 N ATOM 81 CA ASP A 9 11.304 10.687 -8.821 1.00 0.00 C ATOM 82 C ASP A 9 10.029 11.442 -8.442 1.00 0.00 C ATOM 83 O ASP A 9 9.420 11.161 -7.411 1.00 0.00 O ATOM 84 CB ASP A 9 11.059 9.986 -10.158 1.00 0.00 C ATOM 85 CG ASP A 9 12.127 8.966 -10.559 1.00 0.00 C ATOM 86 OD1 ASP A 9 13.298 9.194 -10.186 1.00 0.00 O ATOM 87 OD2 ASP A 9 11.748 7.981 -11.229 1.00 0.00 O ATOM 0 H ASP A 9 11.644 8.755 -8.084 1.00 0.00 H new ATOM 0 HA ASP A 9 12.149 11.368 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.094 9.481 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.988 10.742 -10.940 1.00 0.00 H new ATOM 92 N VAL A 10 9.662 12.386 -9.297 1.00 0.00 N ATOM 93 CA VAL A 10 8.470 13.184 -9.065 1.00 0.00 C ATOM 94 C VAL A 10 7.230 12.343 -9.378 1.00 0.00 C ATOM 95 O VAL A 10 6.895 12.137 -10.543 1.00 0.00 O ATOM 96 CB VAL A 10 8.538 14.476 -9.881 1.00 0.00 C ATOM 97 CG1 VAL A 10 7.180 14.802 -10.505 1.00 0.00 C ATOM 98 CG2 VAL A 10 9.041 15.640 -9.024 1.00 0.00 C ATOM 0 H VAL A 10 10.169 12.616 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 10 8.406 13.480 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 10 9.251 14.324 -10.691 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.256 15.725 -11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.878 13.988 -11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.438 14.925 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.080 16.546 -9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.363 15.793 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.038 15.411 -8.649 1.00 0.00 H new ATOM 108 N ARG A 11 6.584 11.882 -8.317 1.00 0.00 N ATOM 109 CA ARG A 11 5.389 11.068 -8.465 1.00 0.00 C ATOM 110 C ARG A 11 4.247 11.646 -7.626 1.00 0.00 C ATOM 111 O ARG A 11 3.218 12.049 -8.166 1.00 0.00 O ATOM 112 CB ARG A 11 5.649 9.624 -8.033 1.00 0.00 C ATOM 113 CG ARG A 11 5.938 8.733 -9.244 1.00 0.00 C ATOM 114 CD ARG A 11 7.272 8.002 -9.081 1.00 0.00 C ATOM 115 NE ARG A 11 7.142 6.930 -8.070 1.00 0.00 N ATOM 116 CZ ARG A 11 8.092 6.022 -7.811 1.00 0.00 C ATOM 117 NH1 ARG A 11 9.248 6.051 -8.488 1.00 0.00 N ATOM 118 NH2 ARG A 11 7.887 5.085 -6.875 1.00 0.00 N ATOM 0 H ARG A 11 6.865 12.056 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 11 5.111 11.075 -9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.493 9.593 -7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.783 9.241 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.134 8.007 -9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.960 9.340 -10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.582 7.577 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.047 8.706 -8.779 1.00 0.00 H new ATOM 0 HE ARG A 11 6.274 6.879 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.404 6.764 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.972 5.360 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.007 5.063 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.611 4.394 -6.678 1.00 0.00 H new ATOM 132 N ARG A 12 4.468 11.668 -6.320 1.00 0.00 N ATOM 133 CA ARG A 12 3.470 12.190 -5.401 1.00 0.00 C ATOM 134 C ARG A 12 3.714 13.678 -5.141 1.00 0.00 C ATOM 135 O ARG A 12 4.300 14.046 -4.124 1.00 0.00 O ATOM 136 CB ARG A 12 3.499 11.435 -4.070 1.00 0.00 C ATOM 137 CG ARG A 12 3.684 9.933 -4.295 1.00 0.00 C ATOM 138 CD ARG A 12 4.834 9.390 -3.446 1.00 0.00 C ATOM 139 NE ARG A 12 4.323 8.934 -2.133 1.00 0.00 N ATOM 140 CZ ARG A 12 5.096 8.712 -1.062 1.00 0.00 C ATOM 141 NH1 ARG A 12 6.421 8.901 -1.141 1.00 0.00 N ATOM 142 NH2 ARG A 12 4.545 8.300 0.088 1.00 0.00 N ATOM 0 H ARG A 12 5.323 11.333 -5.876 1.00 0.00 H new ATOM 0 HA ARG A 12 2.492 12.054 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.310 11.816 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.571 11.613 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.762 9.408 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.883 9.741 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.320 8.563 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.588 10.164 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 12 3.319 8.779 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.840 9.214 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.010 8.732 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.537 8.155 0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.134 8.131 0.904 1.00 0.00 H new ATOM 156 N ASP A 13 3.253 14.493 -6.078 1.00 0.00 N ATOM 157 CA ASP A 13 3.413 15.932 -5.963 1.00 0.00 C ATOM 158 C ASP A 13 2.084 16.617 -6.288 1.00 0.00 C ATOM 159 O ASP A 13 1.660 17.526 -5.576 1.00 0.00 O ATOM 160 CB ASP A 13 4.464 16.449 -6.948 1.00 0.00 C ATOM 161 CG ASP A 13 4.930 17.886 -6.701 1.00 0.00 C ATOM 162 OD1 ASP A 13 5.069 18.241 -5.511 1.00 0.00 O ATOM 163 OD2 ASP A 13 5.137 18.596 -7.709 1.00 0.00 O ATOM 0 H ASP A 13 2.768 14.184 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 13 3.731 16.155 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.331 15.790 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.058 16.383 -7.957 1.00 0.00 H new ATOM 168 N LYS A 14 1.463 16.154 -7.363 1.00 0.00 N ATOM 169 CA LYS A 14 0.191 16.711 -7.790 1.00 0.00 C ATOM 170 C LYS A 14 -0.941 15.781 -7.349 1.00 0.00 C ATOM 171 O LYS A 14 -0.690 14.692 -6.835 1.00 0.00 O ATOM 172 CB LYS A 14 0.207 16.991 -9.294 1.00 0.00 C ATOM 173 CG LYS A 14 -0.434 15.840 -10.073 1.00 0.00 C ATOM 174 CD LYS A 14 -0.619 16.210 -11.546 1.00 0.00 C ATOM 175 CE LYS A 14 0.308 15.383 -12.439 1.00 0.00 C ATOM 176 NZ LYS A 14 0.223 15.846 -13.842 1.00 0.00 N ATOM 0 H LYS A 14 1.817 15.399 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 14 0.017 17.675 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.329 17.918 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.234 17.135 -9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.191 14.950 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.400 15.592 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.656 16.044 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.414 17.271 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.335 15.467 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.035 14.329 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.858 15.275 -14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.754 15.744 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.505 16.845 -13.895 1.00 0.00 H new ATOM 190 N PRO A 15 -2.195 16.257 -7.572 1.00 0.00 N ATOM 191 CA PRO A 15 -3.367 15.481 -7.204 1.00 0.00 C ATOM 192 C PRO A 15 -3.592 14.329 -8.185 1.00 0.00 C ATOM 193 O PRO A 15 -3.380 14.482 -9.387 1.00 0.00 O ATOM 194 CB PRO A 15 -4.512 16.480 -7.188 1.00 0.00 C ATOM 195 CG PRO A 15 -4.033 17.676 -7.995 1.00 0.00 C ATOM 196 CD PRO A 15 -2.530 17.542 -8.178 1.00 0.00 C ATOM 0 HA PRO A 15 -3.264 14.999 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.412 16.049 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.762 16.772 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.534 17.709 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.274 18.606 -7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.256 17.566 -9.233 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.998 18.360 -7.692 1.00 0.00 H new ATOM 204 N VAL A 16 -4.019 13.201 -7.637 1.00 0.00 N ATOM 205 CA VAL A 16 -4.276 12.024 -8.449 1.00 0.00 C ATOM 206 C VAL A 16 -5.228 12.393 -9.588 1.00 0.00 C ATOM 207 O VAL A 16 -5.958 13.378 -9.497 1.00 0.00 O ATOM 208 CB VAL A 16 -4.805 10.888 -7.571 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.663 10.186 -6.834 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.859 11.400 -6.588 1.00 0.00 C ATOM 0 H VAL A 16 -4.194 13.077 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.352 11.663 -8.902 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.282 10.156 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.067 9.383 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.964 9.770 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.144 10.904 -6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.218 10.573 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.418 12.162 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.693 11.831 -7.141 1.00 0.00 H new ATOM 220 N THR A 17 -5.189 11.582 -10.635 1.00 0.00 N ATOM 221 CA THR A 17 -6.040 11.811 -11.791 1.00 0.00 C ATOM 222 C THR A 17 -6.831 10.546 -12.129 1.00 0.00 C ATOM 223 O THR A 17 -6.496 9.457 -11.666 1.00 0.00 O ATOM 224 CB THR A 17 -5.155 12.300 -12.939 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.051 12.421 -14.041 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.147 11.242 -13.393 1.00 0.00 C ATOM 0 H THR A 17 -4.582 10.766 -10.707 1.00 0.00 H new ATOM 0 HA THR A 17 -6.787 12.579 -11.588 1.00 0.00 H new ATOM 0 HB THR A 17 -4.623 13.199 -12.629 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.560 12.735 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.544 11.640 -14.209 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.498 10.976 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.680 10.355 -13.735 1.00 0.00 H new ATOM 234 N GLY A 18 -7.867 10.733 -12.935 1.00 0.00 N ATOM 235 CA GLY A 18 -8.709 9.621 -13.341 1.00 0.00 C ATOM 236 C GLY A 18 -7.865 8.390 -13.679 1.00 0.00 C ATOM 237 O GLY A 18 -8.317 7.258 -13.511 1.00 0.00 O ATOM 0 H GLY A 18 -8.142 11.638 -13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.408 9.379 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.304 9.908 -14.208 1.00 0.00 H new ATOM 241 N GLU A 19 -6.655 8.652 -14.150 1.00 0.00 N ATOM 242 CA GLU A 19 -5.745 7.580 -14.514 1.00 0.00 C ATOM 243 C GLU A 19 -5.257 6.850 -13.260 1.00 0.00 C ATOM 244 O GLU A 19 -5.239 5.621 -13.221 1.00 0.00 O ATOM 245 CB GLU A 19 -4.567 8.114 -15.331 1.00 0.00 C ATOM 246 CG GLU A 19 -3.985 7.022 -16.231 1.00 0.00 C ATOM 247 CD GLU A 19 -3.503 7.608 -17.560 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.342 8.071 -17.589 1.00 0.00 O ATOM 249 OE2 GLU A 19 -4.306 7.579 -18.518 1.00 0.00 O ATOM 0 H GLU A 19 -6.283 9.592 -14.288 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.284 6.868 -15.139 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.894 8.956 -15.940 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.794 8.488 -14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.155 6.531 -15.723 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.740 6.259 -16.418 1.00 0.00 H new ATOM 256 N GLN A 20 -4.873 7.639 -12.267 1.00 0.00 N ATOM 257 CA GLN A 20 -4.386 7.083 -11.016 1.00 0.00 C ATOM 258 C GLN A 20 -5.549 6.518 -10.198 1.00 0.00 C ATOM 259 O GLN A 20 -5.444 5.429 -9.635 1.00 0.00 O ATOM 260 CB GLN A 20 -3.611 8.132 -10.215 1.00 0.00 C ATOM 261 CG GLN A 20 -2.372 8.600 -10.980 1.00 0.00 C ATOM 262 CD GLN A 20 -1.218 8.905 -10.022 1.00 0.00 C ATOM 263 OE1 GLN A 20 -0.843 8.099 -9.186 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.680 10.109 -10.189 1.00 0.00 N ATOM 0 H GLN A 20 -4.889 8.658 -12.303 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.699 6.268 -11.246 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.257 8.985 -10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.313 7.714 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.067 7.831 -11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.613 9.491 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.043 10.734 -10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.096 10.407 -9.598 1.00 0.00 H new ATOM 273 N ILE A 21 -6.630 7.282 -10.159 1.00 0.00 N ATOM 274 CA ILE A 21 -7.811 6.871 -9.420 1.00 0.00 C ATOM 275 C ILE A 21 -8.128 5.410 -9.745 1.00 0.00 C ATOM 276 O ILE A 21 -7.964 4.532 -8.898 1.00 0.00 O ATOM 277 CB ILE A 21 -8.974 7.827 -9.693 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.783 9.149 -8.946 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.315 7.169 -9.360 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.120 9.869 -8.756 1.00 0.00 C ATOM 0 H ILE A 21 -6.713 8.184 -10.628 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.627 6.927 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.984 8.057 -10.758 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.327 8.959 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.097 9.789 -9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.125 7.870 -9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.445 6.277 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.332 6.891 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.956 10.805 -8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.562 10.079 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.795 9.236 -8.180 1.00 0.00 H new ATOM 292 N GLU A 22 -8.575 5.193 -10.973 1.00 0.00 N ATOM 293 CA GLU A 22 -8.917 3.854 -11.420 1.00 0.00 C ATOM 294 C GLU A 22 -7.935 2.834 -10.838 1.00 0.00 C ATOM 295 O GLU A 22 -8.346 1.794 -10.326 1.00 0.00 O ATOM 296 CB GLU A 22 -8.946 3.776 -12.948 1.00 0.00 C ATOM 297 CG GLU A 22 -7.649 4.321 -13.549 1.00 0.00 C ATOM 298 CD GLU A 22 -7.763 4.455 -15.069 1.00 0.00 C ATOM 299 OE1 GLU A 22 -8.740 5.097 -15.511 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.871 3.911 -15.755 1.00 0.00 O ATOM 0 H GLU A 22 -8.708 5.923 -11.673 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.917 3.616 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.089 2.742 -13.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.795 4.344 -13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.421 5.293 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.821 3.657 -13.300 1.00 0.00 H new ATOM 307 N VAL A 23 -6.657 3.168 -10.936 1.00 0.00 N ATOM 308 CA VAL A 23 -5.614 2.294 -10.426 1.00 0.00 C ATOM 309 C VAL A 23 -5.783 2.134 -8.914 1.00 0.00 C ATOM 310 O VAL A 23 -5.878 1.016 -8.411 1.00 0.00 O ATOM 311 CB VAL A 23 -4.238 2.837 -10.819 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.162 2.361 -9.842 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.886 2.447 -12.256 1.00 0.00 C ATOM 0 H VAL A 23 -6.320 4.032 -11.361 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.697 1.302 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.279 3.925 -10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.194 2.761 -10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.402 2.711 -8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.122 1.272 -9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.904 2.845 -12.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.872 1.361 -12.345 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.631 2.857 -12.937 1.00 0.00 H new ATOM 323 N PHE A 24 -5.816 3.269 -8.231 1.00 0.00 N ATOM 324 CA PHE A 24 -5.972 3.269 -6.786 1.00 0.00 C ATOM 325 C PHE A 24 -7.125 2.358 -6.360 1.00 0.00 C ATOM 326 O PHE A 24 -6.954 1.496 -5.499 1.00 0.00 O ATOM 327 CB PHE A 24 -6.293 4.706 -6.371 1.00 0.00 C ATOM 328 CG PHE A 24 -5.410 5.239 -5.241 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.707 4.942 -3.948 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.327 6.010 -5.530 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.887 5.437 -2.899 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.507 6.505 -4.482 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.804 6.208 -3.188 1.00 0.00 C ATOM 0 H PHE A 24 -5.737 4.195 -8.651 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.061 2.903 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.187 5.356 -7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.336 4.759 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.566 4.330 -3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.091 6.246 -6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.123 5.201 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.648 7.117 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.180 6.584 -2.391 1.00 0.00 H new ATOM 343 N ALA A 25 -8.274 2.581 -6.981 1.00 0.00 N ATOM 344 CA ALA A 25 -9.455 1.791 -6.676 1.00 0.00 C ATOM 345 C ALA A 25 -9.056 0.321 -6.532 1.00 0.00 C ATOM 346 O ALA A 25 -9.149 -0.247 -5.445 1.00 0.00 O ATOM 347 CB ALA A 25 -10.508 2.005 -7.765 1.00 0.00 C ATOM 0 H ALA A 25 -8.412 3.297 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.895 2.108 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.394 1.412 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.778 3.060 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.103 1.695 -8.728 1.00 0.00 H new ATOM 353 N ASN A 26 -8.622 -0.254 -7.644 1.00 0.00 N ATOM 354 CA ASN A 26 -8.209 -1.647 -7.655 1.00 0.00 C ATOM 355 C ASN A 26 -7.412 -1.948 -6.384 1.00 0.00 C ATOM 356 O ASN A 26 -7.685 -2.929 -5.694 1.00 0.00 O ATOM 357 CB ASN A 26 -7.312 -1.946 -8.858 1.00 0.00 C ATOM 358 CG ASN A 26 -8.083 -1.787 -10.170 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.847 -2.646 -10.578 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.840 -0.645 -10.805 1.00 0.00 N ATOM 0 H ASN A 26 -8.547 0.220 -8.544 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.106 -2.264 -7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.454 -1.274 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.922 -2.961 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.305 -0.445 -11.690 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.188 0.031 -10.407 1.00 0.00 H new ATOM 367 N LYS A 27 -6.443 -1.086 -6.113 1.00 0.00 N ATOM 368 CA LYS A 27 -5.605 -1.248 -4.938 1.00 0.00 C ATOM 369 C LYS A 27 -6.481 -1.220 -3.684 1.00 0.00 C ATOM 370 O LYS A 27 -6.465 -2.159 -2.890 1.00 0.00 O ATOM 371 CB LYS A 27 -4.486 -0.204 -4.930 1.00 0.00 C ATOM 372 CG LYS A 27 -3.650 -0.286 -6.209 1.00 0.00 C ATOM 373 CD LYS A 27 -2.836 0.993 -6.415 1.00 0.00 C ATOM 374 CE LYS A 27 -1.335 0.698 -6.393 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.872 0.268 -7.731 1.00 0.00 N ATOM 0 H LYS A 27 -6.220 -0.273 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.106 -2.217 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.915 0.793 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.845 -0.359 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.979 -1.143 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.304 -0.447 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.106 1.451 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.080 1.713 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.788 1.588 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.122 -0.080 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.149 0.072 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.381 -0.593 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.058 1.023 -8.422 1.00 0.00 H new ATOM 389 N LEU A 28 -7.225 -0.132 -3.545 1.00 0.00 N ATOM 390 CA LEU A 28 -8.107 0.030 -2.402 1.00 0.00 C ATOM 391 C LEU A 28 -8.919 -1.251 -2.203 1.00 0.00 C ATOM 392 O LEU A 28 -8.765 -1.938 -1.194 1.00 0.00 O ATOM 393 CB LEU A 28 -8.967 1.285 -2.562 1.00 0.00 C ATOM 394 CG LEU A 28 -9.592 1.839 -1.280 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.555 1.926 -0.159 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.272 3.185 -1.539 1.00 0.00 C ATOM 0 H LEU A 28 -7.235 0.646 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.526 0.184 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.354 2.067 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.768 1.064 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.366 1.146 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.025 2.323 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.158 0.932 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.743 2.585 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.708 3.557 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.536 3.900 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.057 3.058 -2.284 1.00 0.00 H new ATOM 408 N GLY A 29 -9.766 -1.534 -3.181 1.00 0.00 N ATOM 409 CA GLY A 29 -10.603 -2.721 -3.127 1.00 0.00 C ATOM 410 C GLY A 29 -11.781 -2.518 -2.172 1.00 0.00 C ATOM 411 O GLY A 29 -12.723 -1.792 -2.488 1.00 0.00 O ATOM 0 H GLY A 29 -9.891 -0.962 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.975 -2.954 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.009 -3.575 -2.801 1.00 0.00 H new ATOM 415 N GLU A 30 -11.690 -3.171 -1.023 1.00 0.00 N ATOM 416 CA GLU A 30 -12.736 -3.071 -0.020 1.00 0.00 C ATOM 417 C GLU A 30 -12.290 -2.157 1.123 1.00 0.00 C ATOM 418 O GLU A 30 -13.052 -1.907 2.056 1.00 0.00 O ATOM 419 CB GLU A 30 -13.126 -4.454 0.505 1.00 0.00 C ATOM 420 CG GLU A 30 -12.030 -5.029 1.405 1.00 0.00 C ATOM 421 CD GLU A 30 -12.547 -5.243 2.830 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.063 -6.352 3.085 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.414 -4.293 3.631 1.00 0.00 O ATOM 0 H GLU A 30 -10.907 -3.772 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.619 -2.633 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.060 -4.385 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.304 -5.128 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.678 -5.976 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.176 -4.352 1.422 1.00 0.00 H new ATOM 430 N GLN A 31 -11.058 -1.682 1.012 1.00 0.00 N ATOM 431 CA GLN A 31 -10.502 -0.801 2.025 1.00 0.00 C ATOM 432 C GLN A 31 -11.037 0.621 1.843 1.00 0.00 C ATOM 433 O GLN A 31 -10.669 1.527 2.589 1.00 0.00 O ATOM 434 CB GLN A 31 -8.973 -0.820 1.988 1.00 0.00 C ATOM 435 CG GLN A 31 -8.418 -1.951 2.856 1.00 0.00 C ATOM 436 CD GLN A 31 -7.598 -2.934 2.016 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.546 -2.858 0.800 1.00 0.00 O ATOM 438 NE2 GLN A 31 -6.963 -3.858 2.732 1.00 0.00 N ATOM 0 H GLN A 31 -10.429 -1.891 0.236 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.814 -1.163 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.632 -0.945 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.585 0.136 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.794 -1.535 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.239 -2.478 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.050 -3.864 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.389 -4.560 2.265 1.00 0.00 H new ATOM 447 N TRP A 32 -11.898 0.772 0.847 1.00 0.00 N ATOM 448 CA TRP A 32 -12.487 2.068 0.557 1.00 0.00 C ATOM 449 C TRP A 32 -13.326 2.487 1.767 1.00 0.00 C ATOM 450 O TRP A 32 -13.496 3.677 2.026 1.00 0.00 O ATOM 451 CB TRP A 32 -13.293 2.026 -0.743 1.00 0.00 C ATOM 452 CG TRP A 32 -14.638 1.308 -0.619 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.925 0.035 -0.923 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.876 1.877 -0.142 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.251 -0.257 -0.678 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.848 0.899 -0.188 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.164 3.176 0.314 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.173 1.116 0.207 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.493 3.376 0.705 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.484 2.402 0.665 1.00 0.00 C ATOM 0 H TRP A 32 -12.202 0.018 0.231 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.711 2.816 0.394 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.468 3.047 -1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.698 1.532 -1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.208 -0.674 -1.311 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.709 -1.156 -0.829 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.419 3.957 0.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.916 0.333 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.768 4.357 1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.488 2.636 0.985 1.00 0.00 H new ATOM 471 N LYS A 33 -13.828 1.485 2.474 1.00 0.00 N ATOM 472 CA LYS A 33 -14.644 1.735 3.650 1.00 0.00 C ATOM 473 C LYS A 33 -13.734 1.973 4.857 1.00 0.00 C ATOM 474 O LYS A 33 -14.197 2.397 5.914 1.00 0.00 O ATOM 475 CB LYS A 33 -15.651 0.601 3.853 1.00 0.00 C ATOM 476 CG LYS A 33 -16.753 1.015 4.830 1.00 0.00 C ATOM 477 CD LYS A 33 -18.119 1.034 4.140 1.00 0.00 C ATOM 478 CE LYS A 33 -19.250 0.888 5.160 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.504 1.467 4.629 1.00 0.00 N ATOM 0 H LYS A 33 -13.685 0.499 2.255 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.238 2.639 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.093 0.327 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.137 -0.283 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.776 0.323 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.533 2.003 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.239 1.967 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.174 0.225 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.400 -0.165 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.977 1.388 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.788 2.277 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.353 1.785 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.254 0.747 4.647 1.00 0.00 H new ATOM 493 N ILE A 34 -12.455 1.690 4.658 1.00 0.00 N ATOM 494 CA ILE A 34 -11.476 1.868 5.716 1.00 0.00 C ATOM 495 C ILE A 34 -10.863 3.266 5.608 1.00 0.00 C ATOM 496 O ILE A 34 -10.368 3.809 6.595 1.00 0.00 O ATOM 497 CB ILE A 34 -10.443 0.740 5.687 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.121 -0.627 5.801 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.377 0.943 6.765 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.126 -1.757 5.532 1.00 0.00 C ATOM 0 H ILE A 34 -12.074 1.339 3.779 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.956 1.804 6.693 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.934 0.768 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.548 -0.743 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.946 -0.688 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.656 0.127 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.864 1.890 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.850 0.957 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.634 -2.717 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.719 -1.652 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.315 -1.708 6.258 1.00 0.00 H new ATOM 512 N LEU A 35 -10.914 3.808 4.400 1.00 0.00 N ATOM 513 CA LEU A 35 -10.370 5.132 4.150 1.00 0.00 C ATOM 514 C LEU A 35 -11.499 6.163 4.213 1.00 0.00 C ATOM 515 O LEU A 35 -11.244 7.363 4.297 1.00 0.00 O ATOM 516 CB LEU A 35 -9.593 5.151 2.832 1.00 0.00 C ATOM 517 CG LEU A 35 -8.074 5.000 2.947 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.378 5.487 1.675 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.546 5.708 4.196 1.00 0.00 C ATOM 0 H LEU A 35 -11.324 3.354 3.584 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.650 5.400 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.971 4.349 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.807 6.089 2.320 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.843 3.940 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.300 5.369 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.724 4.901 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.613 6.539 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.464 5.585 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.789 6.769 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.008 5.274 5.083 1.00 0.00 H new ATOM 531 N ALA A 36 -12.722 5.657 4.172 1.00 0.00 N ATOM 532 CA ALA A 36 -13.891 6.519 4.224 1.00 0.00 C ATOM 533 C ALA A 36 -13.886 7.299 5.539 1.00 0.00 C ATOM 534 O ALA A 36 -14.067 8.516 5.544 1.00 0.00 O ATOM 535 CB ALA A 36 -15.156 5.675 4.051 1.00 0.00 C ATOM 0 H ALA A 36 -12.929 4.661 4.103 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.869 7.244 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.033 6.321 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.124 5.165 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.213 4.937 4.851 1.00 0.00 H new ATOM 541 N PRO A 37 -13.669 6.548 6.652 1.00 0.00 N ATOM 542 CA PRO A 37 -13.638 7.157 7.971 1.00 0.00 C ATOM 543 C PRO A 37 -12.331 7.922 8.191 1.00 0.00 C ATOM 544 O PRO A 37 -12.153 8.571 9.221 1.00 0.00 O ATOM 545 CB PRO A 37 -13.821 6.002 8.942 1.00 0.00 C ATOM 546 CG PRO A 37 -13.483 4.743 8.160 1.00 0.00 C ATOM 547 CD PRO A 37 -13.450 5.105 6.685 1.00 0.00 C ATOM 0 HA PRO A 37 -14.421 7.903 8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.167 6.112 9.807 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.844 5.966 9.318 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.519 4.344 8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.226 3.967 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.494 4.839 6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.223 4.574 6.130 1.00 0.00 H new ATOM 555 N TYR A 38 -11.450 7.820 7.207 1.00 0.00 N ATOM 556 CA TYR A 38 -10.165 8.494 7.280 1.00 0.00 C ATOM 557 C TYR A 38 -10.048 9.570 6.199 1.00 0.00 C ATOM 558 O TYR A 38 -9.073 10.320 6.167 1.00 0.00 O ATOM 559 CB TYR A 38 -9.109 7.416 7.026 1.00 0.00 C ATOM 560 CG TYR A 38 -8.675 6.661 8.284 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.425 5.598 8.743 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.534 7.043 8.959 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.017 4.887 9.927 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.126 6.333 10.143 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.887 5.289 10.568 1.00 0.00 C ATOM 566 OH TYR A 38 -7.502 4.618 11.687 1.00 0.00 O ATOM 0 H TYR A 38 -11.601 7.281 6.355 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.041 8.981 8.247 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.501 6.701 6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.233 7.880 6.573 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.318 5.299 8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.947 7.875 8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.595 4.053 10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.236 6.623 10.682 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.565 4.344 11.598 1.00 0.00 H new ATOM 576 N LEU A 39 -11.056 9.613 5.339 1.00 0.00 N ATOM 577 CA LEU A 39 -11.078 10.585 4.260 1.00 0.00 C ATOM 578 C LEU A 39 -12.077 11.694 4.599 1.00 0.00 C ATOM 579 O LEU A 39 -12.486 12.454 3.723 1.00 0.00 O ATOM 580 CB LEU A 39 -11.356 9.895 2.923 1.00 0.00 C ATOM 581 CG LEU A 39 -10.126 9.428 2.141 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.086 8.807 3.075 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.524 8.475 1.012 1.00 0.00 C ATOM 0 H LEU A 39 -11.863 8.990 5.368 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.101 11.057 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.994 9.031 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.923 10.581 2.294 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.664 10.300 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.222 8.484 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.772 9.546 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.522 7.948 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.632 8.158 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.023 7.602 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.201 8.985 0.327 1.00 0.00 H new ATOM 595 N GLU A 40 -12.440 11.750 5.872 1.00 0.00 N ATOM 596 CA GLU A 40 -13.383 12.753 6.337 1.00 0.00 C ATOM 597 C GLU A 40 -14.580 12.837 5.388 1.00 0.00 C ATOM 598 O GLU A 40 -14.918 13.916 4.903 1.00 0.00 O ATOM 599 CB GLU A 40 -12.705 14.116 6.486 1.00 0.00 C ATOM 600 CG GLU A 40 -12.119 14.586 5.153 1.00 0.00 C ATOM 601 CD GLU A 40 -11.616 16.027 5.252 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.697 16.253 6.069 1.00 0.00 O ATOM 603 OE2 GLU A 40 -12.162 16.871 4.509 1.00 0.00 O ATOM 0 H GLU A 40 -12.098 11.117 6.596 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.745 12.454 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.427 14.848 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.914 14.053 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.299 13.930 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.877 14.515 4.373 1.00 0.00 H new ATOM 610 N MET A 41 -15.189 11.684 5.150 1.00 0.00 N ATOM 611 CA MET A 41 -16.341 11.614 4.268 1.00 0.00 C ATOM 612 C MET A 41 -17.643 11.795 5.051 1.00 0.00 C ATOM 613 O MET A 41 -17.618 12.064 6.250 1.00 0.00 O ATOM 614 CB MET A 41 -16.357 10.260 3.555 1.00 0.00 C ATOM 615 CG MET A 41 -15.040 10.014 2.817 1.00 0.00 C ATOM 616 SD MET A 41 -14.634 11.426 1.804 1.00 0.00 S ATOM 617 CE MET A 41 -15.023 10.771 0.189 1.00 0.00 C ATOM 0 H MET A 41 -14.906 10.791 5.553 1.00 0.00 H new ATOM 0 HA MET A 41 -16.264 12.419 3.537 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.525 9.465 4.281 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.186 10.227 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.241 9.829 3.535 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.123 9.122 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 41 -14.101 10.603 -0.367 1.00 0.00 H new ATOM 0 HE2 MET A 41 -15.558 9.828 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 41 -15.648 11.482 -0.351 1.00 0.00 H new ATOM 627 N LYS A 42 -18.750 11.638 4.340 1.00 0.00 N ATOM 628 CA LYS A 42 -20.060 11.781 4.953 1.00 0.00 C ATOM 629 C LYS A 42 -20.639 10.393 5.235 1.00 0.00 C ATOM 630 O LYS A 42 -20.588 9.510 4.381 1.00 0.00 O ATOM 631 CB LYS A 42 -20.964 12.660 4.087 1.00 0.00 C ATOM 632 CG LYS A 42 -20.172 13.808 3.457 1.00 0.00 C ATOM 633 CD LYS A 42 -19.764 14.837 4.514 1.00 0.00 C ATOM 634 CE LYS A 42 -20.810 15.947 4.631 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.360 16.985 5.585 1.00 0.00 N ATOM 0 H LYS A 42 -18.767 11.413 3.345 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.979 12.295 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.422 12.056 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.775 13.063 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.283 13.414 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.774 14.291 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.642 14.344 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.798 15.269 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.984 16.395 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -21.759 15.527 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -21.082 17.731 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -20.216 16.557 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.465 17.398 5.252 1.00 0.00 H new ATOM 649 N ASP A 43 -21.177 10.246 6.437 1.00 0.00 N ATOM 650 CA ASP A 43 -21.766 8.981 6.843 1.00 0.00 C ATOM 651 C ASP A 43 -22.839 8.574 5.830 1.00 0.00 C ATOM 652 O ASP A 43 -23.225 7.408 5.764 1.00 0.00 O ATOM 653 CB ASP A 43 -22.432 9.098 8.215 1.00 0.00 C ATOM 654 CG ASP A 43 -21.532 9.645 9.326 1.00 0.00 C ATOM 655 OD1 ASP A 43 -21.460 10.888 9.437 1.00 0.00 O ATOM 656 OD2 ASP A 43 -20.938 8.808 10.038 1.00 0.00 O ATOM 0 H ASP A 43 -21.217 10.982 7.143 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.969 8.239 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.305 9.744 8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.793 8.113 8.512 1.00 0.00 H new ATOM 661 N SER A 44 -23.290 9.559 5.067 1.00 0.00 N ATOM 662 CA SER A 44 -24.310 9.318 4.061 1.00 0.00 C ATOM 663 C SER A 44 -23.655 8.965 2.724 1.00 0.00 C ATOM 664 O SER A 44 -24.174 8.143 1.972 1.00 0.00 O ATOM 665 CB SER A 44 -25.223 10.535 3.900 1.00 0.00 C ATOM 666 OG SER A 44 -25.571 11.111 5.156 1.00 0.00 O ATOM 0 H SER A 44 -22.968 10.525 5.125 1.00 0.00 H new ATOM 0 HA SER A 44 -24.923 8.479 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 44 -24.725 11.283 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 44 -26.130 10.240 3.372 1.00 0.00 H new ATOM 0 HG SER A 44 -26.153 11.886 5.010 1.00 0.00 H new ATOM 672 N GLU A 45 -22.523 9.606 2.470 1.00 0.00 N ATOM 673 CA GLU A 45 -21.791 9.370 1.237 1.00 0.00 C ATOM 674 C GLU A 45 -21.215 7.952 1.224 1.00 0.00 C ATOM 675 O GLU A 45 -21.199 7.295 0.184 1.00 0.00 O ATOM 676 CB GLU A 45 -20.687 10.412 1.047 1.00 0.00 C ATOM 677 CG GLU A 45 -19.321 9.839 1.430 1.00 0.00 C ATOM 678 CD GLU A 45 -18.188 10.711 0.884 1.00 0.00 C ATOM 679 OE1 GLU A 45 -17.964 11.788 1.477 1.00 0.00 O ATOM 680 OE2 GLU A 45 -17.572 10.279 -0.114 1.00 0.00 O ATOM 0 H GLU A 45 -22.095 10.288 3.097 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.484 9.467 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.669 10.742 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -20.901 11.290 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.242 9.772 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.225 8.826 1.040 1.00 0.00 H new ATOM 687 N ILE A 46 -20.758 7.523 2.391 1.00 0.00 N ATOM 688 CA ILE A 46 -20.183 6.196 2.527 1.00 0.00 C ATOM 689 C ILE A 46 -21.226 5.150 2.127 1.00 0.00 C ATOM 690 O ILE A 46 -20.939 4.254 1.335 1.00 0.00 O ATOM 691 CB ILE A 46 -19.621 5.997 3.936 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.521 7.017 4.236 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.139 4.559 4.136 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.007 6.864 5.669 1.00 0.00 C ATOM 0 H ILE A 46 -20.774 8.071 3.251 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.336 6.077 1.852 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.425 6.170 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.697 6.886 3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.906 8.026 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.744 4.445 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -19.973 3.872 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.355 4.334 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.226 7.601 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.828 7.020 6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.600 5.862 5.805 1.00 0.00 H new ATOM 706 N ARG A 47 -22.414 5.299 2.695 1.00 0.00 N ATOM 707 CA ARG A 47 -23.501 4.378 2.408 1.00 0.00 C ATOM 708 C ARG A 47 -23.976 4.552 0.964 1.00 0.00 C ATOM 709 O ARG A 47 -24.362 3.582 0.313 1.00 0.00 O ATOM 710 CB ARG A 47 -24.679 4.605 3.356 1.00 0.00 C ATOM 711 CG ARG A 47 -26.012 4.406 2.632 1.00 0.00 C ATOM 712 CD ARG A 47 -27.115 4.005 3.613 1.00 0.00 C ATOM 713 NE ARG A 47 -28.399 3.847 2.894 1.00 0.00 N ATOM 714 CZ ARG A 47 -29.461 3.195 3.387 1.00 0.00 C ATOM 715 NH1 ARG A 47 -29.398 2.635 4.603 1.00 0.00 N ATOM 716 NH2 ARG A 47 -30.585 3.101 2.664 1.00 0.00 N ATOM 0 H ARG A 47 -22.648 6.043 3.352 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.125 3.365 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.612 3.915 4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -24.631 5.614 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.293 5.327 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -25.903 3.637 1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.850 3.072 4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -27.215 4.763 4.390 1.00 0.00 H new ATOM 0 HE ARG A 47 -28.481 4.260 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.542 2.705 5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -30.206 2.139 4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -30.633 3.526 1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -31.393 2.605 3.040 1.00 0.00 H new ATOM 730 N GLN A 48 -23.932 5.794 0.505 1.00 0.00 N ATOM 731 CA GLN A 48 -24.354 6.107 -0.850 1.00 0.00 C ATOM 732 C GLN A 48 -23.592 5.242 -1.856 1.00 0.00 C ATOM 733 O GLN A 48 -24.182 4.393 -2.522 1.00 0.00 O ATOM 734 CB GLN A 48 -24.165 7.595 -1.153 1.00 0.00 C ATOM 735 CG GLN A 48 -25.490 8.244 -1.557 1.00 0.00 C ATOM 736 CD GLN A 48 -26.441 8.340 -0.361 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.175 9.010 0.624 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.560 7.635 -0.502 1.00 0.00 N ATOM 0 H GLN A 48 -23.611 6.596 1.047 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.417 5.884 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.761 8.100 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.437 7.717 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.304 9.240 -1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.957 7.662 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.719 7.096 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.259 7.634 0.241 1.00 0.00 H new ATOM 747 N ILE A 49 -22.292 5.487 -1.934 1.00 0.00 N ATOM 748 CA ILE A 49 -21.444 4.740 -2.847 1.00 0.00 C ATOM 749 C ILE A 49 -21.856 3.267 -2.832 1.00 0.00 C ATOM 750 O ILE A 49 -22.105 2.677 -3.882 1.00 0.00 O ATOM 751 CB ILE A 49 -19.968 4.969 -2.515 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.579 6.434 -2.726 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.073 4.018 -3.312 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.640 6.917 -1.619 1.00 0.00 C ATOM 0 H ILE A 49 -21.806 6.192 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.577 5.097 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.817 4.745 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.094 6.549 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.476 7.053 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.029 4.202 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.330 2.987 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.221 4.187 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.379 7.961 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.137 6.823 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.734 6.311 -1.621 1.00 0.00 H new ATOM 766 N GLU A 50 -21.916 2.715 -1.629 1.00 0.00 N ATOM 767 CA GLU A 50 -22.294 1.322 -1.462 1.00 0.00 C ATOM 768 C GLU A 50 -23.550 1.012 -2.279 1.00 0.00 C ATOM 769 O GLU A 50 -23.632 -0.030 -2.927 1.00 0.00 O ATOM 770 CB GLU A 50 -22.503 0.983 0.015 1.00 0.00 C ATOM 771 CG GLU A 50 -21.301 0.222 0.578 1.00 0.00 C ATOM 772 CD GLU A 50 -21.742 -0.799 1.629 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.969 -0.898 1.844 1.00 0.00 O ATOM 774 OE2 GLU A 50 -20.841 -1.458 2.192 1.00 0.00 O ATOM 0 H GLU A 50 -21.709 3.208 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.480 0.698 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.657 1.900 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.405 0.382 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.777 -0.287 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.596 0.925 1.022 1.00 0.00 H new ATOM 781 N CYS A 51 -24.498 1.936 -2.221 1.00 0.00 N ATOM 782 CA CYS A 51 -25.746 1.775 -2.947 1.00 0.00 C ATOM 783 C CYS A 51 -25.482 2.062 -4.426 1.00 0.00 C ATOM 784 O CYS A 51 -25.876 1.283 -5.293 1.00 0.00 O ATOM 785 CB CYS A 51 -26.850 2.669 -2.380 1.00 0.00 C ATOM 786 SG CYS A 51 -28.493 1.999 -2.831 1.00 0.00 S ATOM 0 H CYS A 51 -24.427 2.799 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.105 0.752 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.758 2.730 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.743 3.682 -2.767 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.423 2.765 -2.343 1.00 0.00 H new ATOM 792 N ASP A 52 -24.818 3.182 -4.669 1.00 0.00 N ATOM 793 CA ASP A 52 -24.497 3.582 -6.029 1.00 0.00 C ATOM 794 C ASP A 52 -24.059 2.353 -6.827 1.00 0.00 C ATOM 795 O ASP A 52 -24.664 2.022 -7.846 1.00 0.00 O ATOM 796 CB ASP A 52 -23.349 4.593 -6.049 1.00 0.00 C ATOM 797 CG ASP A 52 -23.535 5.764 -7.016 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.404 6.612 -6.720 1.00 0.00 O ATOM 799 OD2 ASP A 52 -22.804 5.785 -8.029 1.00 0.00 O ATOM 0 H ASP A 52 -24.493 3.825 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.386 4.037 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.217 4.990 -5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.429 4.070 -6.308 1.00 0.00 H new ATOM 804 N SER A 53 -23.010 1.710 -6.334 1.00 0.00 N ATOM 805 CA SER A 53 -22.484 0.524 -6.989 1.00 0.00 C ATOM 806 C SER A 53 -22.359 -0.619 -5.980 1.00 0.00 C ATOM 807 O SER A 53 -22.146 -0.382 -4.792 1.00 0.00 O ATOM 808 CB SER A 53 -21.129 0.810 -7.639 1.00 0.00 C ATOM 809 OG SER A 53 -20.994 2.178 -8.013 1.00 0.00 O ATOM 0 H SER A 53 -22.511 1.988 -5.489 1.00 0.00 H new ATOM 0 HA SER A 53 -23.179 0.230 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.331 0.543 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 53 -21.010 0.180 -8.520 1.00 0.00 H new ATOM 0 HG SER A 53 -20.428 2.245 -8.810 1.00 0.00 H new ATOM 815 N GLU A 54 -22.496 -1.834 -6.491 1.00 0.00 N ATOM 816 CA GLU A 54 -22.400 -3.014 -5.649 1.00 0.00 C ATOM 817 C GLU A 54 -20.956 -3.517 -5.601 1.00 0.00 C ATOM 818 O GLU A 54 -20.460 -3.892 -4.540 1.00 0.00 O ATOM 819 CB GLU A 54 -23.347 -4.113 -6.136 1.00 0.00 C ATOM 820 CG GLU A 54 -24.789 -3.821 -5.713 1.00 0.00 C ATOM 821 CD GLU A 54 -25.732 -3.862 -6.917 1.00 0.00 C ATOM 822 OE1 GLU A 54 -25.538 -3.018 -7.818 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.626 -4.736 -6.908 1.00 0.00 O ATOM 0 H GLU A 54 -22.673 -2.026 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.702 -2.740 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.291 -4.191 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.033 -5.075 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -25.109 -4.552 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.841 -2.841 -5.239 1.00 0.00 H new ATOM 830 N ASP A 55 -20.321 -3.508 -6.764 1.00 0.00 N ATOM 831 CA ASP A 55 -18.944 -3.959 -6.869 1.00 0.00 C ATOM 832 C ASP A 55 -18.068 -3.128 -5.929 1.00 0.00 C ATOM 833 O ASP A 55 -18.382 -1.975 -5.639 1.00 0.00 O ATOM 834 CB ASP A 55 -18.412 -3.780 -8.292 1.00 0.00 C ATOM 835 CG ASP A 55 -18.720 -4.936 -9.247 1.00 0.00 C ATOM 836 OD1 ASP A 55 -18.224 -6.049 -8.970 1.00 0.00 O ATOM 837 OD2 ASP A 55 -19.446 -4.679 -10.232 1.00 0.00 O ATOM 0 H ASP A 55 -20.735 -3.195 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.914 -5.016 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.831 -2.863 -8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.331 -3.645 -8.246 1.00 0.00 H new ATOM 842 N MET A 56 -16.985 -3.746 -5.480 1.00 0.00 N ATOM 843 CA MET A 56 -16.061 -3.078 -4.579 1.00 0.00 C ATOM 844 C MET A 56 -15.190 -2.072 -5.334 1.00 0.00 C ATOM 845 O MET A 56 -15.110 -0.905 -4.953 1.00 0.00 O ATOM 846 CB MET A 56 -15.168 -4.118 -3.900 1.00 0.00 C ATOM 847 CG MET A 56 -15.219 -3.974 -2.377 1.00 0.00 C ATOM 848 SD MET A 56 -16.819 -4.480 -1.770 1.00 0.00 S ATOM 849 CE MET A 56 -16.324 -5.401 -0.323 1.00 0.00 C ATOM 0 H MET A 56 -16.727 -4.702 -5.723 1.00 0.00 H new ATOM 0 HA MET A 56 -16.640 -2.538 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.489 -5.120 -4.185 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.141 -4.002 -4.246 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.438 -4.582 -1.920 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.024 -2.939 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 56 -17.116 -6.097 -0.047 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.411 -5.956 -0.540 1.00 0.00 H new ATOM 0 HE3 MET A 56 -16.142 -4.712 0.502 1.00 0.00 H new ATOM 859 N LYS A 57 -14.560 -2.560 -6.393 1.00 0.00 N ATOM 860 CA LYS A 57 -13.698 -1.719 -7.205 1.00 0.00 C ATOM 861 C LYS A 57 -14.408 -0.393 -7.489 1.00 0.00 C ATOM 862 O LYS A 57 -13.799 0.672 -7.401 1.00 0.00 O ATOM 863 CB LYS A 57 -13.258 -2.463 -8.467 1.00 0.00 C ATOM 864 CG LYS A 57 -12.261 -3.573 -8.129 1.00 0.00 C ATOM 865 CD LYS A 57 -11.890 -4.376 -9.378 1.00 0.00 C ATOM 866 CE LYS A 57 -11.892 -5.878 -9.085 1.00 0.00 C ATOM 867 NZ LYS A 57 -12.591 -6.614 -10.162 1.00 0.00 N ATOM 0 H LYS A 57 -14.630 -3.528 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.780 -1.482 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.129 -2.890 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.804 -1.762 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.362 -3.139 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.691 -4.237 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.597 -4.157 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.904 -4.072 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.867 -6.239 -8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.381 -6.068 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.584 -7.632 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.574 -6.281 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.107 -6.447 -11.067 1.00 0.00 H new ATOM 881 N MET A 58 -15.685 -0.502 -7.824 1.00 0.00 N ATOM 882 CA MET A 58 -16.484 0.675 -8.121 1.00 0.00 C ATOM 883 C MET A 58 -16.593 1.587 -6.897 1.00 0.00 C ATOM 884 O MET A 58 -16.298 2.778 -6.978 1.00 0.00 O ATOM 885 CB MET A 58 -17.883 0.244 -8.563 1.00 0.00 C ATOM 886 CG MET A 58 -17.943 0.047 -10.079 1.00 0.00 C ATOM 887 SD MET A 58 -18.899 1.355 -10.828 1.00 0.00 S ATOM 888 CE MET A 58 -17.718 2.690 -10.742 1.00 0.00 C ATOM 0 H MET A 58 -16.186 -1.387 -7.896 1.00 0.00 H new ATOM 0 HA MET A 58 -15.995 1.230 -8.922 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.157 -0.684 -8.061 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.611 0.997 -8.261 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.935 0.040 -10.493 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.390 -0.920 -10.311 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.156 3.591 -11.171 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.453 2.875 -9.701 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.822 2.420 -11.301 1.00 0.00 H new ATOM 898 N ARG A 59 -17.017 0.992 -5.792 1.00 0.00 N ATOM 899 CA ARG A 59 -17.169 1.736 -4.553 1.00 0.00 C ATOM 900 C ARG A 59 -15.868 2.462 -4.207 1.00 0.00 C ATOM 901 O ARG A 59 -15.888 3.630 -3.821 1.00 0.00 O ATOM 902 CB ARG A 59 -17.551 0.809 -3.397 1.00 0.00 C ATOM 903 CG ARG A 59 -18.949 0.222 -3.604 1.00 0.00 C ATOM 904 CD ARG A 59 -19.206 -0.935 -2.636 1.00 0.00 C ATOM 905 NE ARG A 59 -20.624 -1.352 -2.711 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.095 -2.505 -2.217 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.264 -3.363 -1.609 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.397 -2.801 -2.331 1.00 0.00 N ATOM 0 H ARG A 59 -17.260 0.003 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.967 2.464 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.822 0.002 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.520 1.361 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.699 0.999 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.052 -0.128 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.558 -1.776 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.961 -0.630 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.284 -0.722 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.273 -3.138 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.623 -4.241 -1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.030 -2.149 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.755 -3.679 -1.955 1.00 0.00 H new ATOM 922 N ALA A 60 -14.767 1.741 -4.358 1.00 0.00 N ATOM 923 CA ALA A 60 -13.459 2.302 -4.066 1.00 0.00 C ATOM 924 C ALA A 60 -13.184 3.466 -5.019 1.00 0.00 C ATOM 925 O ALA A 60 -12.661 4.500 -4.607 1.00 0.00 O ATOM 926 CB ALA A 60 -12.398 1.203 -4.166 1.00 0.00 C ATOM 0 H ALA A 60 -14.754 0.773 -4.679 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.428 2.694 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.417 1.624 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.623 0.414 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.398 0.788 -5.174 1.00 0.00 H new ATOM 932 N LYS A 61 -13.548 3.259 -6.276 1.00 0.00 N ATOM 933 CA LYS A 61 -13.347 4.278 -7.292 1.00 0.00 C ATOM 934 C LYS A 61 -14.190 5.508 -6.947 1.00 0.00 C ATOM 935 O LYS A 61 -13.654 6.597 -6.748 1.00 0.00 O ATOM 936 CB LYS A 61 -13.629 3.710 -8.684 1.00 0.00 C ATOM 937 CG LYS A 61 -13.119 4.655 -9.775 1.00 0.00 C ATOM 938 CD LYS A 61 -13.779 4.346 -11.120 1.00 0.00 C ATOM 939 CE LYS A 61 -13.083 5.097 -12.257 1.00 0.00 C ATOM 940 NZ LYS A 61 -13.332 4.423 -13.551 1.00 0.00 N ATOM 0 H LYS A 61 -13.981 2.400 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.305 4.599 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.150 2.737 -8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.701 3.552 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.326 5.687 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.037 4.560 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.740 3.273 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.832 4.626 -11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.447 6.124 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.011 5.146 -12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.853 4.945 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.964 3.451 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.355 4.399 -13.739 1.00 0.00 H new ATOM 954 N GLN A 62 -15.496 5.293 -6.888 1.00 0.00 N ATOM 955 CA GLN A 62 -16.419 6.370 -6.572 1.00 0.00 C ATOM 956 C GLN A 62 -15.875 7.211 -5.415 1.00 0.00 C ATOM 957 O GLN A 62 -15.980 8.437 -5.431 1.00 0.00 O ATOM 958 CB GLN A 62 -17.810 5.823 -6.245 1.00 0.00 C ATOM 959 CG GLN A 62 -18.661 5.699 -7.510 1.00 0.00 C ATOM 960 CD GLN A 62 -18.929 7.073 -8.128 1.00 0.00 C ATOM 961 OE1 GLN A 62 -18.385 7.436 -9.158 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.794 7.815 -7.442 1.00 0.00 N ATOM 0 H GLN A 62 -15.937 4.388 -7.054 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.514 7.010 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.718 4.848 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.306 6.482 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.151 5.064 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.607 5.214 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.213 7.450 -6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.038 8.749 -7.771 1.00 0.00 H new ATOM 971 N LEU A 63 -15.306 6.519 -4.438 1.00 0.00 N ATOM 972 CA LEU A 63 -14.746 7.188 -3.276 1.00 0.00 C ATOM 973 C LEU A 63 -13.574 8.068 -3.715 1.00 0.00 C ATOM 974 O LEU A 63 -13.479 9.226 -3.313 1.00 0.00 O ATOM 975 CB LEU A 63 -14.379 6.167 -2.197 1.00 0.00 C ATOM 976 CG LEU A 63 -13.511 6.688 -1.049 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.280 7.699 -0.196 1.00 0.00 C ATOM 978 CD2 LEU A 63 -12.961 5.532 -0.211 1.00 0.00 C ATOM 0 H LEU A 63 -15.221 5.503 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.486 7.847 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.301 5.765 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.857 5.337 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.656 7.212 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.641 8.054 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.582 8.543 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.165 7.222 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.348 5.929 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.789 4.960 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.354 4.882 -0.841 1.00 0.00 H new ATOM 990 N LEU A 64 -12.711 7.484 -4.533 1.00 0.00 N ATOM 991 CA LEU A 64 -11.549 8.200 -5.030 1.00 0.00 C ATOM 992 C LEU A 64 -12.008 9.469 -5.753 1.00 0.00 C ATOM 993 O LEU A 64 -11.465 10.548 -5.524 1.00 0.00 O ATOM 994 CB LEU A 64 -10.681 7.281 -5.893 1.00 0.00 C ATOM 995 CG LEU A 64 -9.732 6.351 -5.135 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.044 6.350 -3.638 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.758 4.940 -5.727 1.00 0.00 C ATOM 0 H LEU A 64 -12.793 6.523 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.914 8.515 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.337 6.671 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.090 7.900 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.717 6.731 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.355 5.681 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.933 7.360 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.067 6.009 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.075 4.299 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.769 4.537 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.449 4.978 -6.772 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.003 9.295 -6.611 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.541 10.413 -7.368 1.00 0.00 C ATOM 1011 C VAL A 65 -14.014 11.499 -6.400 1.00 0.00 C ATOM 1012 O VAL A 65 -13.524 12.626 -6.439 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.647 9.925 -8.306 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.197 11.076 -9.150 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.149 8.783 -9.194 1.00 0.00 C ATOM 0 H VAL A 65 -13.450 8.398 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.769 10.854 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.462 9.541 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.982 10.702 -9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.608 11.844 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.394 11.504 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.955 8.455 -9.851 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.309 9.130 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.828 7.950 -8.569 1.00 0.00 H new ATOM 1025 N ALA A 66 -14.961 11.121 -5.554 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.506 12.049 -4.577 1.00 0.00 C ATOM 1027 C ALA A 66 -14.365 12.631 -3.741 1.00 0.00 C ATOM 1028 O ALA A 66 -14.292 13.842 -3.541 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.551 11.332 -3.719 1.00 0.00 C ATOM 0 H ALA A 66 -15.365 10.185 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.007 12.880 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -16.960 12.028 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.354 10.963 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.084 10.494 -3.202 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.501 11.740 -3.276 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.366 12.151 -2.466 1.00 0.00 C ATOM 1037 C TRP A 67 -11.514 13.110 -3.298 1.00 0.00 C ATOM 1038 O TRP A 67 -10.745 13.898 -2.750 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.583 10.936 -1.965 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.225 11.282 -1.349 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -9.974 11.767 -0.126 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -8.935 11.147 -1.982 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.621 11.955 0.075 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -7.970 11.566 -1.089 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.595 10.687 -3.266 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.601 11.567 -1.385 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.223 10.694 -3.546 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.239 11.112 -2.658 1.00 0.00 C ATOM 0 H TRP A 67 -13.564 10.736 -3.444 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.700 12.672 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.184 10.410 -1.223 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.429 10.248 -2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.734 11.984 0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.180 12.314 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.334 10.354 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.864 11.901 -0.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -6.907 10.351 -4.520 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.199 11.086 -2.949 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.678 13.012 -4.609 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.933 13.862 -5.523 1.00 0.00 C ATOM 1061 C GLN A 68 -11.740 15.118 -5.857 1.00 0.00 C ATOM 1062 O GLN A 68 -11.169 16.162 -6.169 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.553 13.100 -6.794 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.671 13.957 -7.704 1.00 0.00 C ATOM 1065 CD GLN A 68 -8.960 13.094 -8.749 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -9.148 13.243 -9.945 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.137 12.187 -8.232 1.00 0.00 N ATOM 0 H GLN A 68 -12.316 12.357 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.009 14.168 -5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.026 12.183 -6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.456 12.805 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.281 14.710 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.933 14.490 -7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.027 12.116 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.616 11.562 -8.847 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.055 14.975 -5.781 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.946 16.085 -6.072 1.00 0.00 C ATOM 1078 C ASP A 69 -14.035 16.997 -4.846 1.00 0.00 C ATOM 1079 O ASP A 69 -14.052 18.220 -4.977 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.357 15.589 -6.395 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.401 16.691 -6.591 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -16.188 17.519 -7.503 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.388 16.679 -5.825 1.00 0.00 O ATOM 0 H ASP A 69 -13.525 14.107 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.546 16.621 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.315 14.984 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.689 14.934 -5.589 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.090 16.366 -3.682 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.177 17.105 -2.434 1.00 0.00 C ATOM 1090 C GLN A 70 -12.880 17.876 -2.182 1.00 0.00 C ATOM 1091 O GLN A 70 -12.913 19.058 -1.841 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.495 16.171 -1.265 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.254 15.387 -0.836 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.594 14.379 0.264 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -14.745 14.153 0.600 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -12.532 13.787 0.803 1.00 0.00 N ATOM 0 H GLN A 70 -14.076 15.352 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.993 17.823 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -14.872 16.752 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.286 15.478 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.835 14.864 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.490 16.077 -0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.595 14.023 0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.654 13.097 1.545 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.769 17.177 -2.360 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.464 17.781 -2.157 1.00 0.00 C ATOM 1107 C GLU A 71 -10.103 18.678 -3.343 1.00 0.00 C ATOM 1108 O GLU A 71 -9.097 19.384 -3.308 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.393 16.711 -1.934 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.477 16.139 -0.517 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.641 16.968 0.460 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.422 17.082 0.209 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.241 17.470 1.435 1.00 0.00 O ATOM 0 H GLU A 71 -11.746 16.197 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.507 18.398 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.518 15.909 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.405 17.140 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.516 16.123 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.126 15.107 -0.516 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.945 18.621 -4.364 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.728 19.420 -5.559 1.00 0.00 C ATOM 1122 C GLY A 72 -9.412 19.040 -6.240 1.00 0.00 C ATOM 1123 O GLY A 72 -9.288 17.949 -6.795 1.00 0.00 O ATOM 0 H GLY A 72 -11.779 18.034 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.556 19.275 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.714 20.478 -5.296 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.462 19.961 -6.176 1.00 0.00 N ATOM 1128 CA VAL A 73 -7.160 19.737 -6.780 1.00 0.00 C ATOM 1129 C VAL A 73 -6.111 19.582 -5.677 1.00 0.00 C ATOM 1130 O VAL A 73 -5.007 20.115 -5.785 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.835 20.867 -7.759 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -6.292 22.092 -7.022 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.855 20.395 -8.835 1.00 0.00 C ATOM 0 H VAL A 73 -8.568 20.865 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.162 18.814 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.761 21.158 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.069 22.880 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.037 22.449 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.382 21.821 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.641 21.217 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.929 20.064 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.296 19.567 -9.391 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.492 18.850 -4.641 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.598 18.618 -3.519 1.00 0.00 C ATOM 1145 C HIS A 74 -5.589 17.128 -3.169 1.00 0.00 C ATOM 1146 O HIS A 74 -4.994 16.725 -2.170 1.00 0.00 O ATOM 1147 CB HIS A 74 -5.976 19.504 -2.330 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.356 20.915 -2.712 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -7.460 21.562 -2.186 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -5.767 21.794 -3.572 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -7.524 22.776 -2.714 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.474 22.918 -3.573 1.00 0.00 N ATOM 0 H HIS A 74 -7.408 18.410 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.581 18.897 -3.796 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.810 19.045 -1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.137 19.540 -1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.876 21.608 -4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -8.276 23.522 -2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.266 23.750 -4.125 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.254 16.352 -4.011 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.330 14.915 -3.803 1.00 0.00 C ATOM 1162 C ALA A 75 -5.051 14.260 -4.328 1.00 0.00 C ATOM 1163 O ALA A 75 -5.043 13.692 -5.419 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.587 14.367 -4.482 1.00 0.00 C ATOM 0 H ALA A 75 -6.745 16.690 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.406 14.684 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.644 13.290 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.469 14.843 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.544 14.577 -5.551 1.00 0.00 H new ATOM 1170 N THR A 76 -4.001 14.361 -3.526 1.00 0.00 N ATOM 1171 CA THR A 76 -2.719 13.785 -3.896 1.00 0.00 C ATOM 1172 C THR A 76 -2.570 12.386 -3.295 1.00 0.00 C ATOM 1173 O THR A 76 -3.293 12.025 -2.368 1.00 0.00 O ATOM 1174 CB THR A 76 -1.621 14.756 -3.458 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.913 15.015 -2.088 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.746 16.124 -4.131 1.00 0.00 C ATOM 0 H THR A 76 -4.012 14.833 -2.622 1.00 0.00 H new ATOM 0 HA THR A 76 -2.642 13.650 -4.975 1.00 0.00 H new ATOM 0 HB THR A 76 -0.645 14.327 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.167 15.503 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.943 16.774 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.677 16.005 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.708 16.569 -3.876 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.601 11.618 -3.861 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.347 10.267 -3.391 1.00 0.00 C ATOM 1186 C PRO A 77 -0.602 10.282 -2.055 1.00 0.00 C ATOM 1187 O PRO A 77 -0.839 9.433 -1.198 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.555 9.604 -4.506 1.00 0.00 C ATOM 1189 CG PRO A 77 0.005 10.738 -5.350 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.726 12.013 -4.961 1.00 0.00 C ATOM 0 HA PRO A 77 -2.264 9.713 -3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.246 8.986 -4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.192 8.951 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.077 10.846 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.132 10.528 -6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.028 12.791 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.298 12.413 -5.798 1.00 0.00 H new ATOM 1198 N GLU A 78 0.284 11.258 -1.920 1.00 0.00 N ATOM 1199 CA GLU A 78 1.066 11.395 -0.703 1.00 0.00 C ATOM 1200 C GLU A 78 0.148 11.668 0.490 1.00 0.00 C ATOM 1201 O GLU A 78 0.395 11.181 1.593 1.00 0.00 O ATOM 1202 CB GLU A 78 2.118 12.497 -0.848 1.00 0.00 C ATOM 1203 CG GLU A 78 3.398 12.137 -0.091 1.00 0.00 C ATOM 1204 CD GLU A 78 3.951 13.351 0.659 1.00 0.00 C ATOM 1205 OE1 GLU A 78 4.677 14.135 0.011 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.635 13.466 1.863 1.00 0.00 O ATOM 0 H GLU A 78 0.478 11.961 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 78 1.592 10.457 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.346 12.650 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.719 13.438 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.193 11.332 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.146 11.765 -0.791 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.893 12.445 0.230 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.850 12.788 1.268 1.00 0.00 C ATOM 1215 C ASN A 79 -2.680 11.552 1.619 1.00 0.00 C ATOM 1216 O ASN A 79 -2.933 11.282 2.792 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.808 13.883 0.795 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.166 15.266 0.924 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.202 15.467 1.643 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.754 16.206 0.188 1.00 0.00 N ATOM 0 H ASN A 79 -1.095 12.847 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.294 13.146 2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.087 13.703 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.725 13.848 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.400 17.163 0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.558 15.970 -0.393 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.082 10.835 0.580 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.879 9.634 0.763 1.00 0.00 C ATOM 1229 C LEU A 80 -3.043 8.577 1.488 1.00 0.00 C ATOM 1230 O LEU A 80 -3.449 8.066 2.531 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.446 9.157 -0.575 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.582 8.135 -0.497 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.649 8.577 0.506 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.174 7.865 -1.882 1.00 0.00 C ATOM 0 H LEU A 80 -2.871 11.063 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.744 9.844 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.804 10.027 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.633 8.723 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.169 7.193 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.445 7.833 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.200 8.677 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.063 9.537 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.979 7.135 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.567 8.793 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.398 7.474 -2.540 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.889 8.281 0.907 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.992 7.295 1.484 1.00 0.00 C ATOM 1248 C ILE A 81 -0.861 7.549 2.987 1.00 0.00 C ATOM 1249 O ILE A 81 -0.766 6.608 3.774 1.00 0.00 O ATOM 1250 CB ILE A 81 0.346 7.289 0.743 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.214 6.611 -0.622 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.443 6.650 1.597 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.546 6.626 -1.374 1.00 0.00 C ATOM 0 H ILE A 81 -1.555 8.707 0.043 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.401 6.292 1.364 1.00 0.00 H new ATOM 0 HB ILE A 81 0.640 8.323 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.121 5.582 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.547 7.121 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.384 6.658 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.559 7.214 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.169 5.621 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.424 6.138 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.866 7.657 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.299 6.094 -0.792 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.861 8.825 3.342 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.743 9.215 4.737 1.00 0.00 C ATOM 1267 C ASN A 82 -1.882 8.580 5.537 1.00 0.00 C ATOM 1268 O ASN A 82 -1.649 7.975 6.582 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.844 10.733 4.895 1.00 0.00 C ATOM 1270 CG ASN A 82 0.405 11.298 5.575 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.434 11.518 4.958 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.258 11.518 6.879 1.00 0.00 N ATOM 0 H ASN A 82 -0.941 9.603 2.687 1.00 0.00 H new ATOM 0 HA ASN A 82 0.228 8.878 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.971 11.196 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.727 10.983 5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.035 11.893 7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.631 11.312 7.334 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.089 8.739 5.015 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.265 8.188 5.668 1.00 0.00 C ATOM 1281 C ALA A 83 -4.156 6.663 5.703 1.00 0.00 C ATOM 1282 O ALA A 83 -4.353 6.046 6.749 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.524 8.667 4.941 1.00 0.00 C ATOM 0 H ALA A 83 -3.278 9.241 4.148 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.331 8.537 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.406 8.254 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.569 9.756 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.495 8.333 3.904 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.843 6.097 4.546 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.706 4.655 4.431 1.00 0.00 C ATOM 1291 C LEU A 84 -2.849 4.135 5.588 1.00 0.00 C ATOM 1292 O LEU A 84 -3.135 3.079 6.150 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.169 4.277 3.050 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.151 4.422 1.885 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.408 4.520 0.551 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.177 3.288 1.889 1.00 0.00 C ATOM 0 H LEU A 84 -3.680 6.611 3.680 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.680 4.172 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.295 4.893 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.828 3.242 3.085 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.702 5.354 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.129 4.622 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.750 5.389 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.815 3.618 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.863 3.415 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.663 2.332 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.738 3.308 2.823 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.816 4.900 5.908 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.916 4.530 6.987 1.00 0.00 C ATOM 1310 C ASN A 85 -1.713 4.398 8.287 1.00 0.00 C ATOM 1311 O ASN A 85 -1.885 3.296 8.805 1.00 0.00 O ATOM 1312 CB ASN A 85 0.160 5.596 7.197 1.00 0.00 C ATOM 1313 CG ASN A 85 1.557 5.021 6.956 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.105 4.292 7.767 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.101 5.388 5.799 1.00 0.00 N ATOM 0 H ASN A 85 -1.582 5.775 5.439 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.440 3.586 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.015 6.432 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.095 5.989 8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.032 5.057 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.587 6.001 5.166 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.177 5.539 8.776 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.951 5.565 10.006 1.00 0.00 C ATOM 1324 C LYS A 86 -4.123 4.588 9.887 1.00 0.00 C ATOM 1325 O LYS A 86 -4.494 3.937 10.862 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.375 6.996 10.341 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.174 7.615 9.192 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.413 9.107 9.431 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.424 9.327 10.558 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.422 10.743 10.987 1.00 0.00 N ATOM 0 H LYS A 86 -2.032 6.451 8.343 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.342 5.232 10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.977 6.997 11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.492 7.603 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.637 7.475 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.130 7.102 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.471 9.594 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.777 9.572 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.421 9.045 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.180 8.684 11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.114 10.875 11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.474 11.001 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.677 11.350 10.182 1.00 0.00 H new ATOM 1344 N SER A 87 -4.672 4.517 8.684 1.00 0.00 N ATOM 1345 CA SER A 87 -5.794 3.630 8.425 1.00 0.00 C ATOM 1346 C SER A 87 -5.357 2.173 8.586 1.00 0.00 C ATOM 1347 O SER A 87 -6.192 1.270 8.607 1.00 0.00 O ATOM 1348 CB SER A 87 -6.367 3.861 7.025 1.00 0.00 C ATOM 1349 OG SER A 87 -5.777 2.997 6.057 1.00 0.00 O ATOM 0 H SER A 87 -4.361 5.059 7.878 1.00 0.00 H new ATOM 0 HA SER A 87 -6.578 3.850 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.445 3.702 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.203 4.898 6.733 1.00 0.00 H new ATOM 0 HG SER A 87 -4.816 2.918 6.232 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.050 1.989 8.695 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.492 0.657 8.853 1.00 0.00 C ATOM 1357 C GLY A 88 -3.537 -0.117 7.534 1.00 0.00 C ATOM 1358 O GLY A 88 -3.636 -1.343 7.533 1.00 0.00 O ATOM 0 H GLY A 88 -3.361 2.741 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.462 0.730 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.049 0.114 9.617 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.462 0.631 6.443 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.493 0.031 5.121 1.00 0.00 C ATOM 1364 C LEU A 89 -2.098 0.108 4.498 1.00 0.00 C ATOM 1365 O LEU A 89 -1.962 0.330 3.295 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.585 0.676 4.265 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.930 -0.052 4.233 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.128 -0.893 5.496 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.081 0.932 4.014 1.00 0.00 C ATOM 0 H LEU A 89 -3.380 1.648 6.448 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.755 -1.025 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.752 1.690 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.216 0.760 3.243 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.927 -0.738 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.092 -1.400 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.331 -1.634 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.102 -0.245 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.026 0.389 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.097 1.660 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.941 1.450 3.065 1.00 0.00 H new ATOM 1381 N SER A 90 -1.096 -0.079 5.344 1.00 0.00 N ATOM 1382 CA SER A 90 0.284 -0.033 4.891 1.00 0.00 C ATOM 1383 C SER A 90 0.406 -0.690 3.515 1.00 0.00 C ATOM 1384 O SER A 90 1.259 -0.309 2.715 1.00 0.00 O ATOM 1385 CB SER A 90 1.215 -0.722 5.892 1.00 0.00 C ATOM 1386 OG SER A 90 0.767 -2.033 6.223 1.00 0.00 O ATOM 0 H SER A 90 -1.212 -0.263 6.341 1.00 0.00 H new ATOM 0 HA SER A 90 0.584 1.012 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.220 -0.777 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.280 -0.121 6.799 1.00 0.00 H new ATOM 0 HG SER A 90 1.389 -2.439 6.862 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.461 -1.665 3.281 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.461 -2.378 2.015 1.00 0.00 C ATOM 1394 C ASP A 91 -0.599 -1.374 0.869 1.00 0.00 C ATOM 1395 O ASP A 91 0.275 -1.284 0.009 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.637 -3.354 1.933 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.339 -4.665 1.203 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -0.240 -5.211 1.441 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.217 -5.092 0.423 1.00 0.00 O ATOM 0 H ASP A 91 -1.168 -1.978 3.947 1.00 0.00 H new ATOM 0 HA ASP A 91 0.474 -2.933 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.968 -3.586 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.468 -2.857 1.432 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.705 -0.644 0.895 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.969 0.350 -0.131 1.00 0.00 C ATOM 1406 C LEU A 92 -0.810 1.348 -0.179 1.00 0.00 C ATOM 1407 O LEU A 92 -0.150 1.490 -1.208 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.334 1.004 0.094 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.510 0.376 -0.655 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.866 1.192 -1.899 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.226 -1.089 -0.993 1.00 0.00 C ATOM 0 H LEU A 92 -2.428 -0.721 1.610 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.025 -0.122 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.554 0.980 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.264 2.053 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.380 0.392 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.705 0.724 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.141 2.205 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.006 1.230 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.078 -1.511 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.338 -1.152 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.059 -1.649 -0.073 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.597 2.013 0.947 1.00 0.00 N ATOM 1424 CA ALA A 93 0.471 2.993 1.046 1.00 0.00 C ATOM 1425 C ALA A 93 1.712 2.464 0.324 1.00 0.00 C ATOM 1426 O ALA A 93 2.261 3.137 -0.548 1.00 0.00 O ATOM 1427 CB ALA A 93 0.743 3.304 2.519 1.00 0.00 C ATOM 0 H ALA A 93 -1.146 1.892 1.798 1.00 0.00 H new ATOM 0 HA ALA A 93 0.181 3.926 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.544 4.039 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.161 3.704 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.039 2.391 3.035 1.00 0.00 H new ATOM 1433 N GLU A 94 2.118 1.264 0.712 1.00 0.00 N ATOM 1434 CA GLU A 94 3.283 0.638 0.112 1.00 0.00 C ATOM 1435 C GLU A 94 3.059 0.425 -1.386 1.00 0.00 C ATOM 1436 O GLU A 94 3.962 0.650 -2.191 1.00 0.00 O ATOM 1437 CB GLU A 94 3.616 -0.683 0.810 1.00 0.00 C ATOM 1438 CG GLU A 94 4.593 -0.461 1.966 1.00 0.00 C ATOM 1439 CD GLU A 94 5.940 -1.126 1.681 1.00 0.00 C ATOM 1440 OE1 GLU A 94 5.969 -2.376 1.688 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.912 -0.371 1.463 1.00 0.00 O ATOM 0 H GLU A 94 1.660 0.709 1.435 1.00 0.00 H new ATOM 0 HA GLU A 94 4.136 1.304 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.701 -1.141 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.049 -1.379 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.737 0.608 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.171 -0.866 2.886 1.00 0.00 H new ATOM 1448 N SER A 95 1.850 -0.007 -1.716 1.00 0.00 N ATOM 1449 CA SER A 95 1.496 -0.252 -3.104 1.00 0.00 C ATOM 1450 C SER A 95 1.721 1.013 -3.933 1.00 0.00 C ATOM 1451 O SER A 95 2.505 1.007 -4.881 1.00 0.00 O ATOM 1452 CB SER A 95 0.043 -0.716 -3.227 1.00 0.00 C ATOM 1453 OG SER A 95 -0.275 -1.732 -2.279 1.00 0.00 O ATOM 0 H SER A 95 1.104 -0.193 -1.046 1.00 0.00 H new ATOM 0 HA SER A 95 2.137 -1.047 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.623 0.135 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.133 -1.092 -4.235 1.00 0.00 H new ATOM 0 HG SER A 95 0.271 -1.611 -1.474 1.00 0.00 H new ATOM 1459 N LEU A 96 1.020 2.069 -3.547 1.00 0.00 N ATOM 1460 CA LEU A 96 1.134 3.339 -4.243 1.00 0.00 C ATOM 1461 C LEU A 96 2.600 3.776 -4.261 1.00 0.00 C ATOM 1462 O LEU A 96 3.237 3.779 -5.313 1.00 0.00 O ATOM 1463 CB LEU A 96 0.191 4.374 -3.627 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.298 4.188 -3.926 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.613 4.542 -5.381 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.756 2.773 -3.569 1.00 0.00 C ATOM 0 H LEU A 96 0.371 2.071 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 96 0.820 3.234 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.328 4.363 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.491 5.362 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.862 4.877 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.678 4.401 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.346 5.582 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.040 3.895 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.818 2.667 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.189 2.049 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.588 2.593 -2.507 1.00 0.00 H new ATOM 1478 N THR A 97 3.092 4.134 -3.084 1.00 0.00 N ATOM 1479 CA THR A 97 4.471 4.572 -2.952 1.00 0.00 C ATOM 1480 C THR A 97 5.400 3.657 -3.751 1.00 0.00 C ATOM 1481 O THR A 97 6.245 4.132 -4.508 1.00 0.00 O ATOM 1482 CB THR A 97 4.808 4.628 -1.460 1.00 0.00 C ATOM 1483 OG1 THR A 97 5.746 5.696 -1.356 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.589 3.399 -0.990 1.00 0.00 C ATOM 0 H THR A 97 2.560 4.130 -2.213 1.00 0.00 H new ATOM 0 HA THR A 97 4.611 5.569 -3.369 1.00 0.00 H new ATOM 0 HB THR A 97 3.888 4.716 -0.883 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.017 5.803 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.803 3.489 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.996 2.502 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.526 3.330 -1.543 1.00 0.00 H new ATOM 1492 N ASN A 98 5.213 2.360 -3.555 1.00 0.00 N ATOM 1493 CA ASN A 98 6.024 1.373 -4.247 1.00 0.00 C ATOM 1494 C ASN A 98 7.492 1.805 -4.205 1.00 0.00 C ATOM 1495 O ASN A 98 7.955 2.527 -5.087 1.00 0.00 O ATOM 1496 CB ASN A 98 5.609 1.251 -5.715 1.00 0.00 C ATOM 1497 CG ASN A 98 5.488 -0.216 -6.130 1.00 0.00 C ATOM 1498 OD1 ASN A 98 6.084 -0.667 -7.095 1.00 0.00 O ATOM 1499 ND2 ASN A 98 4.684 -0.934 -5.351 1.00 0.00 N ATOM 0 H ASN A 98 4.511 1.970 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 98 5.883 0.413 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.656 1.756 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.342 1.752 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.536 -1.924 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.215 -0.494 -4.559 1.00 0.00 H new ATOM 1506 N ASP A 99 8.182 1.345 -3.172 1.00 0.00 N ATOM 1507 CA ASP A 99 9.587 1.675 -3.004 1.00 0.00 C ATOM 1508 C ASP A 99 10.340 1.354 -4.296 1.00 0.00 C ATOM 1509 O ASP A 99 10.012 0.390 -4.987 1.00 0.00 O ATOM 1510 CB ASP A 99 10.214 0.855 -1.875 1.00 0.00 C ATOM 1511 CG ASP A 99 9.839 -0.629 -1.868 1.00 0.00 C ATOM 1512 OD1 ASP A 99 10.509 -1.387 -2.602 1.00 0.00 O ATOM 1513 OD2 ASP A 99 8.890 -0.971 -1.130 1.00 0.00 O ATOM 0 H ASP A 99 7.794 0.746 -2.443 1.00 0.00 H new ATOM 0 HA ASP A 99 9.658 2.735 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.299 0.940 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.920 1.293 -0.921 1.00 0.00 H new ATOM 1518 N ASN A 100 11.335 2.180 -4.584 1.00 0.00 N ATOM 1519 CA ASN A 100 12.138 1.996 -5.782 1.00 0.00 C ATOM 1520 C ASN A 100 12.627 0.547 -5.845 1.00 0.00 C ATOM 1521 O ASN A 100 13.503 0.151 -5.077 1.00 0.00 O ATOM 1522 CB ASN A 100 13.365 2.909 -5.768 1.00 0.00 C ATOM 1523 CG ASN A 100 14.058 2.877 -4.405 1.00 0.00 C ATOM 1524 OD1 ASN A 100 13.653 3.530 -3.457 1.00 0.00 O ATOM 1525 ND2 ASN A 100 15.123 2.082 -4.359 1.00 0.00 N ATOM 0 H ASN A 100 11.604 2.978 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 100 11.518 2.239 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.065 2.595 -6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.065 3.930 -6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.655 1.991 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.408 1.563 -5.189 1.00 0.00 H new ATOM 1532 N GLU A 101 12.041 -0.203 -6.766 1.00 0.00 N ATOM 1533 CA GLU A 101 12.407 -1.598 -6.939 1.00 0.00 C ATOM 1534 C GLU A 101 12.165 -2.035 -8.385 1.00 0.00 C ATOM 1535 O GLU A 101 11.302 -2.871 -8.649 1.00 0.00 O ATOM 1536 CB GLU A 101 11.640 -2.491 -5.961 1.00 0.00 C ATOM 1537 CG GLU A 101 12.030 -3.960 -6.140 1.00 0.00 C ATOM 1538 CD GLU A 101 10.811 -4.873 -5.985 1.00 0.00 C ATOM 1539 OE1 GLU A 101 10.042 -4.635 -5.029 1.00 0.00 O ATOM 1540 OE2 GLU A 101 10.678 -5.788 -6.825 1.00 0.00 O ATOM 0 H GLU A 101 11.315 0.129 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 101 13.470 -1.704 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.847 -2.178 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.568 -2.374 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.475 -4.105 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.788 -4.231 -5.405 1.00 0.00 H new ATOM 1547 N THR A 102 12.943 -1.449 -9.284 1.00 0.00 N ATOM 1548 CA THR A 102 12.824 -1.768 -10.697 1.00 0.00 C ATOM 1549 C THR A 102 14.202 -2.055 -11.296 1.00 0.00 C ATOM 1550 O THR A 102 15.201 -1.477 -10.871 1.00 0.00 O ATOM 1551 CB THR A 102 12.093 -0.612 -11.382 1.00 0.00 C ATOM 1552 OG1 THR A 102 12.981 0.494 -11.241 1.00 0.00 O ATOM 1553 CG2 THR A 102 10.837 -0.180 -10.621 1.00 0.00 C ATOM 0 H THR A 102 13.657 -0.756 -9.062 1.00 0.00 H new ATOM 0 HA THR A 102 12.242 -2.677 -10.850 1.00 0.00 H new ATOM 0 HB THR A 102 11.821 -0.906 -12.396 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.585 1.287 -11.660 1.00 0.00 H new ATOM 0 HG21 THR A 102 10.356 0.643 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.146 -1.020 -10.553 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.113 0.145 -9.618 1.00 0.00 H new ATOM 1561 N ASN A 103 14.212 -2.948 -12.275 1.00 0.00 N ATOM 1562 CA ASN A 103 15.451 -3.319 -12.938 1.00 0.00 C ATOM 1563 C ASN A 103 15.209 -3.415 -14.445 1.00 0.00 C ATOM 1564 O ASN A 103 14.782 -4.455 -14.945 1.00 0.00 O ATOM 1565 CB ASN A 103 15.949 -4.681 -12.451 1.00 0.00 C ATOM 1566 CG ASN A 103 17.293 -5.034 -13.091 1.00 0.00 C ATOM 1567 OD1 ASN A 103 17.724 -4.435 -14.062 1.00 0.00 O ATOM 1568 ND2 ASN A 103 17.929 -6.038 -12.494 1.00 0.00 N ATOM 0 H ASN A 103 13.382 -3.426 -12.625 1.00 0.00 H new ATOM 0 HA ASN A 103 16.198 -2.559 -12.708 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.051 -4.668 -11.366 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.214 -5.449 -12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.834 -6.349 -12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.511 -6.497 -11.684 1.00 0.00 H new ATOM 1575 N SER A 104 15.493 -2.315 -15.129 1.00 0.00 N ATOM 1576 CA SER A 104 15.312 -2.262 -16.569 1.00 0.00 C ATOM 1577 C SER A 104 15.708 -0.882 -17.096 1.00 0.00 C ATOM 1578 O SER A 104 14.859 -0.006 -17.254 1.00 0.00 O ATOM 1579 CB SER A 104 13.867 -2.583 -16.955 1.00 0.00 C ATOM 1580 OG SER A 104 12.939 -1.704 -16.325 1.00 0.00 O ATOM 0 H SER A 104 15.847 -1.454 -14.712 1.00 0.00 H new ATOM 0 HA SER A 104 15.956 -3.015 -17.022 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.756 -2.512 -18.037 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.638 -3.612 -16.678 1.00 0.00 H new ATOM 0 HG SER A 104 13.264 -0.782 -16.394 1.00 0.00 H new ATOM 1586 N SER A 105 16.999 -0.729 -17.353 1.00 0.00 N ATOM 1587 CA SER A 105 17.518 0.530 -17.859 1.00 0.00 C ATOM 1588 C SER A 105 17.298 1.639 -16.827 1.00 0.00 C ATOM 1589 O SER A 105 16.227 1.729 -16.228 1.00 0.00 O ATOM 1590 CB SER A 105 16.860 0.903 -19.188 1.00 0.00 C ATOM 1591 OG SER A 105 17.331 0.094 -20.263 1.00 0.00 O ATOM 0 H SER A 105 17.701 -1.457 -17.220 1.00 0.00 H new ATOM 0 HA SER A 105 18.587 0.413 -18.035 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.779 0.795 -19.100 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.059 1.952 -19.409 1.00 0.00 H new ATOM 0 HG SER A 105 16.886 0.362 -21.094 1.00 0.00 H new ATOM 1597 N GLY A 106 18.327 2.454 -16.653 1.00 0.00 N ATOM 1598 CA GLY A 106 18.259 3.553 -15.704 1.00 0.00 C ATOM 1599 C GLY A 106 19.105 4.737 -16.176 1.00 0.00 C ATOM 1600 O GLY A 106 20.212 4.949 -15.683 1.00 0.00 O ATOM 0 H GLY A 106 19.213 2.376 -17.153 1.00 0.00 H new ATOM 0 HA2 GLY A 106 17.223 3.868 -15.580 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.609 3.218 -14.728 1.00 0.00 H new ATOM 1604 N PRO A 107 18.538 5.497 -17.150 1.00 0.00 N ATOM 1605 CA PRO A 107 19.227 6.655 -17.694 1.00 0.00 C ATOM 1606 C PRO A 107 19.191 7.826 -16.711 1.00 0.00 C ATOM 1607 O PRO A 107 18.431 7.807 -15.744 1.00 0.00 O ATOM 1608 CB PRO A 107 18.518 6.956 -19.004 1.00 0.00 C ATOM 1609 CG PRO A 107 17.172 6.254 -18.920 1.00 0.00 C ATOM 1610 CD PRO A 107 17.229 5.276 -17.758 1.00 0.00 C ATOM 0 HA PRO A 107 20.288 6.471 -17.865 1.00 0.00 H new ATOM 0 HB2 PRO A 107 18.391 8.030 -19.141 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.096 6.592 -19.854 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.372 6.979 -18.770 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.956 5.729 -19.851 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.425 5.461 -17.045 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.121 4.247 -18.101 1.00 0.00 H new ATOM 1618 N SER A 108 20.023 8.819 -16.992 1.00 0.00 N ATOM 1619 CA SER A 108 20.095 9.997 -16.144 1.00 0.00 C ATOM 1620 C SER A 108 20.091 11.262 -17.005 1.00 0.00 C ATOM 1621 O SER A 108 19.217 12.115 -16.856 1.00 0.00 O ATOM 1622 CB SER A 108 21.342 9.962 -15.259 1.00 0.00 C ATOM 1623 OG SER A 108 21.581 11.215 -14.622 1.00 0.00 O ATOM 0 H SER A 108 20.652 8.832 -17.795 1.00 0.00 H new ATOM 0 HA SER A 108 19.220 10.005 -15.494 1.00 0.00 H new ATOM 0 HB2 SER A 108 21.227 9.187 -14.502 1.00 0.00 H new ATOM 0 HB3 SER A 108 22.208 9.692 -15.863 1.00 0.00 H new ATOM 0 HG SER A 108 22.385 11.151 -14.065 1.00 0.00 H new ATOM 1629 N SER A 109 21.077 11.343 -17.886 1.00 0.00 N ATOM 1630 CA SER A 109 21.197 12.490 -18.770 1.00 0.00 C ATOM 1631 C SER A 109 20.046 12.497 -19.778 1.00 0.00 C ATOM 1632 O SER A 109 19.431 11.462 -20.031 1.00 0.00 O ATOM 1633 CB SER A 109 22.542 12.483 -19.501 1.00 0.00 C ATOM 1634 OG SER A 109 22.813 11.223 -20.108 1.00 0.00 O ATOM 0 H SER A 109 21.800 10.634 -18.007 1.00 0.00 H new ATOM 0 HA SER A 109 21.147 13.395 -18.165 1.00 0.00 H new ATOM 0 HB2 SER A 109 22.544 13.261 -20.264 1.00 0.00 H new ATOM 0 HB3 SER A 109 23.338 12.725 -18.797 1.00 0.00 H new ATOM 0 HG SER A 109 23.679 11.260 -20.566 1.00 0.00 H new ATOM 1640 N GLY A 110 19.788 13.676 -20.326 1.00 0.00 N ATOM 1641 CA GLY A 110 18.722 13.831 -21.300 1.00 0.00 C ATOM 1642 C GLY A 110 19.285 14.176 -22.680 1.00 0.00 C ATOM 1643 O GLY A 110 18.930 15.199 -23.262 1.00 0.00 O ATOM 0 H GLY A 110 20.299 14.533 -20.113 1.00 0.00 H new ATOM 0 HA2 GLY A 110 18.143 12.910 -21.360 1.00 0.00 H new ATOM 0 HA3 GLY A 110 18.039 14.616 -20.975 1.00 0.00 H new TER 1647 GLY A 110