USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 916 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 68 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.9) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.23) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.2) USER MOD Single : A 14 HIS : no HE2:sc= -0.145 X(o=-0.14,f=-0.17) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 20:sc= 0.281 USER MOD Single : A 22 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.59) USER MOD Single : A 23 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.24) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -0.113 (180deg=-0.759) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -18:sc= -2.14 USER MOD Single : A 50 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.041) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 57 HIS : no HE2:sc= -0.467 K(o=-0.47,f=-1.1) USER MOD Single : A 59 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.7!) USER MOD Single : A 63 ASN : amide:sc= -1.35 K(o=-1.3,f=-5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 74 LYS NZ :NH3+ -120:sc= 1.25 (180deg=-1.28) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.802 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.014 (180deg=-0.139) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.02) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.87 K(o=-1.9,f=-3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 79:sc= -0.461 USER MOD Single : A 98 SER OG : rot -35:sc= 0.0108 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 164:sc= -1.8 (180deg=-2.76) USER MOD Single : A 107 CYS SG : rot 32:sc= 0.331 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 36.172 3.634 8.950 1.00 64.03 N ATOM 2 CA PRO A 2 34.781 4.091 9.003 1.00 54.00 C ATOM 3 C PRO A 2 34.296 4.308 10.432 1.00 1.24 C ATOM 4 O PRO A 2 35.082 4.258 11.379 1.00 72.13 O ATOM 5 CB PRO A 2 34.006 2.947 8.344 1.00 61.01 C ATOM 6 CG PRO A 2 34.860 1.744 8.549 1.00 22.30 C ATOM 7 CD PRO A 2 36.281 2.233 8.509 1.00 5.11 C ATOM 0 HA PRO A 2 34.650 5.054 8.509 1.00 54.00 H new ATOM 0 HB2 PRO A 2 33.025 2.819 8.801 1.00 61.01 H new ATOM 0 HB3 PRO A 2 33.841 3.140 7.284 1.00 61.01 H new ATOM 0 HG2 PRO A 2 34.638 1.266 9.503 1.00 22.30 H new ATOM 0 HG3 PRO A 2 34.681 1.001 7.772 1.00 22.30 H new ATOM 0 HD2 PRO A 2 36.925 1.653 9.170 1.00 5.11 H new ATOM 0 HD3 PRO A 2 36.704 2.159 7.507 1.00 5.11 H new ATOM 15 N SER A 3 32.998 4.549 10.582 1.00 15.50 N ATOM 16 CA SER A 3 32.409 4.778 11.897 1.00 71.35 C ATOM 17 C SER A 3 31.043 4.106 12.004 1.00 23.13 C ATOM 18 O SER A 3 30.365 3.887 11.001 1.00 54.24 O ATOM 19 CB SER A 3 32.275 6.278 12.165 1.00 34.20 C ATOM 20 OG SER A 3 32.548 6.579 13.522 1.00 13.45 O ATOM 0 H SER A 3 32.333 4.591 9.809 1.00 15.50 H new ATOM 0 HA SER A 3 33.070 4.341 12.646 1.00 71.35 H new ATOM 0 HB2 SER A 3 32.962 6.828 11.522 1.00 34.20 H new ATOM 0 HB3 SER A 3 31.267 6.607 11.912 1.00 34.20 H new ATOM 0 HG SER A 3 32.457 7.544 13.668 1.00 13.45 H new ATOM 26 N LYS A 4 30.646 3.780 13.230 1.00 43.42 N ATOM 27 CA LYS A 4 29.362 3.135 13.472 1.00 32.42 C ATOM 28 C LYS A 4 29.309 1.763 12.808 1.00 74.44 C ATOM 29 O LYS A 4 30.140 1.440 11.959 1.00 72.33 O ATOM 30 CB LYS A 4 28.221 4.011 12.950 1.00 33.50 C ATOM 31 CG LYS A 4 27.078 4.173 13.937 1.00 10.13 C ATOM 32 CD LYS A 4 26.888 5.627 14.336 1.00 71.01 C ATOM 33 CE LYS A 4 25.480 5.885 14.849 1.00 34.45 C ATOM 34 NZ LYS A 4 25.130 7.332 14.808 1.00 60.44 N ATOM 0 H LYS A 4 31.196 3.952 14.071 1.00 43.42 H new ATOM 0 HA LYS A 4 29.247 3.003 14.548 1.00 32.42 H new ATOM 0 HB2 LYS A 4 28.616 4.996 12.699 1.00 33.50 H new ATOM 0 HB3 LYS A 4 27.835 3.578 12.027 1.00 33.50 H new ATOM 0 HG2 LYS A 4 26.157 3.793 13.494 1.00 10.13 H new ATOM 0 HG3 LYS A 4 27.276 3.574 14.826 1.00 10.13 H new ATOM 0 HD2 LYS A 4 27.611 5.891 15.107 1.00 71.01 H new ATOM 0 HD3 LYS A 4 27.087 6.270 13.478 1.00 71.01 H new ATOM 0 HE2 LYS A 4 24.766 5.322 14.248 1.00 34.45 H new ATOM 0 HE3 LYS A 4 25.394 5.520 15.872 1.00 34.45 H new ATOM 0 HZ1 LYS A 4 24.163 7.465 15.166 1.00 60.44 H new ATOM 0 HZ2 LYS A 4 25.796 7.867 15.402 1.00 60.44 H new ATOM 0 HZ3 LYS A 4 25.187 7.675 13.828 1.00 60.44 H new ATOM 48 N LYS A 5 28.325 0.959 13.198 1.00 61.01 N ATOM 49 CA LYS A 5 28.161 -0.377 12.639 1.00 71.55 C ATOM 50 C LYS A 5 26.776 -0.542 12.021 1.00 31.50 C ATOM 51 O LYS A 5 25.874 0.254 12.276 1.00 34.23 O ATOM 52 CB LYS A 5 28.377 -1.436 13.722 1.00 23.41 C ATOM 53 CG LYS A 5 27.454 -1.281 14.918 1.00 55.33 C ATOM 54 CD LYS A 5 26.952 -2.627 15.414 1.00 41.51 C ATOM 55 CE LYS A 5 25.564 -2.937 14.876 1.00 15.33 C ATOM 56 NZ LYS A 5 24.923 -4.063 15.611 1.00 41.32 N ATOM 0 H LYS A 5 27.629 1.210 13.900 1.00 61.01 H new ATOM 0 HA LYS A 5 28.907 -0.510 11.856 1.00 71.55 H new ATOM 0 HB2 LYS A 5 28.230 -2.424 13.286 1.00 23.41 H new ATOM 0 HB3 LYS A 5 29.411 -1.389 14.063 1.00 23.41 H new ATOM 0 HG2 LYS A 5 27.983 -0.770 15.723 1.00 55.33 H new ATOM 0 HG3 LYS A 5 26.606 -0.653 14.645 1.00 55.33 H new ATOM 0 HD2 LYS A 5 27.645 -3.410 15.108 1.00 41.51 H new ATOM 0 HD3 LYS A 5 26.930 -2.629 16.504 1.00 41.51 H new ATOM 0 HE2 LYS A 5 24.937 -2.049 14.954 1.00 15.33 H new ATOM 0 HE3 LYS A 5 25.632 -3.187 13.817 1.00 15.33 H new ATOM 0 HZ1 LYS A 5 23.979 -4.243 15.215 1.00 41.32 H new ATOM 0 HZ2 LYS A 5 25.508 -4.918 15.515 1.00 41.32 H new ATOM 0 HZ3 LYS A 5 24.834 -3.815 16.617 1.00 41.32 H new ATOM 70 N ASN A 6 26.615 -1.582 11.209 1.00 62.13 N ATOM 71 CA ASN A 6 25.339 -1.852 10.556 1.00 43.33 C ATOM 72 C ASN A 6 25.210 -3.331 10.204 1.00 42.54 C ATOM 73 O ASN A 6 26.029 -4.151 10.615 1.00 20.22 O ATOM 74 CB ASN A 6 25.200 -1.001 9.292 1.00 52.13 C ATOM 75 CG ASN A 6 25.949 -1.591 8.112 1.00 11.53 C ATOM 76 OD1 ASN A 6 25.343 -2.102 7.170 1.00 12.44 O ATOM 77 ND2 ASN A 6 27.274 -1.522 8.159 1.00 22.13 N ATOM 0 H ASN A 6 27.352 -2.251 10.988 1.00 62.13 H new ATOM 0 HA ASN A 6 24.541 -1.592 11.251 1.00 43.33 H new ATOM 0 HB2 ASN A 6 24.145 -0.904 9.037 1.00 52.13 H new ATOM 0 HB3 ASN A 6 25.574 0.003 9.491 1.00 52.13 H new ATOM 0 HD21 ASN A 6 27.832 -1.902 7.394 1.00 22.13 H new ATOM 0 HD22 ASN A 6 27.734 -1.089 8.960 1.00 22.13 H new ATOM 84 N GLY A 7 24.175 -3.663 9.438 1.00 41.01 N ATOM 85 CA GLY A 7 23.958 -5.042 9.043 1.00 74.34 C ATOM 86 C GLY A 7 23.697 -5.185 7.556 1.00 31.23 C ATOM 87 O GLY A 7 23.426 -4.200 6.869 1.00 30.23 O ATOM 0 H GLY A 7 23.484 -3.002 9.084 1.00 41.01 H new ATOM 0 HA2 GLY A 7 24.831 -5.636 9.314 1.00 74.34 H new ATOM 0 HA3 GLY A 7 23.112 -5.447 9.598 1.00 74.34 H new ATOM 91 N ARG A 8 23.780 -6.414 7.058 1.00 63.40 N ATOM 92 CA ARG A 8 23.554 -6.682 5.643 1.00 62.12 C ATOM 93 C ARG A 8 22.611 -7.867 5.458 1.00 54.14 C ATOM 94 O ARG A 8 22.499 -8.727 6.331 1.00 11.23 O ATOM 95 CB ARG A 8 24.882 -6.959 4.936 1.00 43.33 C ATOM 96 CG ARG A 8 24.837 -6.711 3.437 1.00 44.42 C ATOM 97 CD ARG A 8 25.082 -7.990 2.653 1.00 61.43 C ATOM 98 NE ARG A 8 26.465 -8.097 2.197 1.00 45.12 N ATOM 99 CZ ARG A 8 26.994 -7.312 1.264 1.00 25.54 C ATOM 100 NH1 ARG A 8 26.260 -6.369 0.692 1.00 14.23 N ATOM 101 NH2 ARG A 8 28.261 -7.471 0.903 1.00 43.11 N ATOM 0 H ARG A 8 24.002 -7.240 7.613 1.00 63.40 H new ATOM 0 HA ARG A 8 23.092 -5.799 5.201 1.00 62.12 H new ATOM 0 HB2 ARG A 8 25.656 -6.331 5.377 1.00 43.33 H new ATOM 0 HB3 ARG A 8 25.171 -7.995 5.116 1.00 43.33 H new ATOM 0 HG2 ARG A 8 23.866 -6.296 3.165 1.00 44.42 H new ATOM 0 HG3 ARG A 8 25.588 -5.968 3.167 1.00 44.42 H new ATOM 0 HD2 ARG A 8 24.839 -8.850 3.277 1.00 61.43 H new ATOM 0 HD3 ARG A 8 24.413 -8.021 1.793 1.00 61.43 H new ATOM 0 HE ARG A 8 27.057 -8.813 2.617 1.00 45.12 H new ATOM 0 HH11 ARG A 8 25.286 -6.244 0.967 1.00 14.23 H new ATOM 0 HH12 ARG A 8 26.669 -5.768 -0.024 1.00 14.23 H new ATOM 0 HH21 ARG A 8 28.829 -8.196 1.342 1.00 43.11 H new ATOM 0 HH22 ARG A 8 28.667 -6.868 0.187 1.00 43.11 H new ATOM 115 N SER A 9 21.933 -7.904 4.314 1.00 24.44 N ATOM 116 CA SER A 9 20.996 -8.981 4.016 1.00 1.12 C ATOM 117 C SER A 9 20.477 -8.868 2.586 1.00 31.50 C ATOM 118 O SER A 9 20.626 -9.791 1.785 1.00 15.53 O ATOM 119 CB SER A 9 19.825 -8.953 5.000 1.00 53.11 C ATOM 120 OG SER A 9 19.080 -10.157 4.941 1.00 25.32 O ATOM 0 H SER A 9 22.015 -7.201 3.580 1.00 24.44 H new ATOM 0 HA SER A 9 21.524 -9.929 4.119 1.00 1.12 H new ATOM 0 HB2 SER A 9 20.200 -8.803 6.012 1.00 53.11 H new ATOM 0 HB3 SER A 9 19.175 -8.108 4.773 1.00 53.11 H new ATOM 0 HG SER A 9 18.339 -10.115 5.580 1.00 25.32 H new ATOM 126 N GLY A 10 19.866 -7.730 2.273 1.00 50.24 N ATOM 127 CA GLY A 10 19.333 -7.516 0.940 1.00 62.23 C ATOM 128 C GLY A 10 18.081 -6.663 0.946 1.00 54.22 C ATOM 129 O GLY A 10 18.102 -5.488 0.578 1.00 61.01 O ATOM 0 H GLY A 10 19.730 -6.952 2.919 1.00 50.24 H new ATOM 0 HA2 GLY A 10 20.092 -7.037 0.321 1.00 62.23 H new ATOM 0 HA3 GLY A 10 19.110 -8.480 0.482 1.00 62.23 H new ATOM 133 N PRO A 11 16.956 -7.258 1.371 1.00 62.24 N ATOM 134 CA PRO A 11 15.667 -6.563 1.432 1.00 20.21 C ATOM 135 C PRO A 11 15.633 -5.500 2.525 1.00 61.13 C ATOM 136 O PRO A 11 15.917 -5.784 3.688 1.00 65.12 O ATOM 137 CB PRO A 11 14.674 -7.685 1.746 1.00 10.14 C ATOM 138 CG PRO A 11 15.485 -8.727 2.436 1.00 43.11 C ATOM 139 CD PRO A 11 16.857 -8.656 1.824 1.00 41.30 C ATOM 0 HA PRO A 11 15.448 -6.028 0.508 1.00 20.21 H new ATOM 0 HB2 PRO A 11 13.863 -7.329 2.382 1.00 10.14 H new ATOM 0 HB3 PRO A 11 14.218 -8.076 0.836 1.00 10.14 H new ATOM 0 HG2 PRO A 11 15.526 -8.542 3.509 1.00 43.11 H new ATOM 0 HG3 PRO A 11 15.047 -9.716 2.300 1.00 43.11 H new ATOM 0 HD2 PRO A 11 17.634 -8.900 2.549 1.00 41.30 H new ATOM 0 HD3 PRO A 11 16.964 -9.356 0.995 1.00 41.30 H new ATOM 147 N GLN A 12 15.283 -4.276 2.142 1.00 24.14 N ATOM 148 CA GLN A 12 15.213 -3.171 3.091 1.00 51.01 C ATOM 149 C GLN A 12 13.828 -2.533 3.081 1.00 13.23 C ATOM 150 O GLN A 12 13.074 -2.641 2.114 1.00 44.14 O ATOM 151 CB GLN A 12 16.274 -2.120 2.761 1.00 0.32 C ATOM 152 CG GLN A 12 16.412 -1.841 1.273 1.00 2.53 C ATOM 153 CD GLN A 12 17.609 -2.538 0.657 1.00 34.52 C ATOM 154 OE1 GLN A 12 18.660 -2.663 1.285 1.00 24.42 O ATOM 155 NE2 GLN A 12 17.454 -2.998 -0.579 1.00 22.30 N ATOM 0 H GLN A 12 15.044 -4.025 1.183 1.00 24.14 H new ATOM 0 HA GLN A 12 15.403 -3.568 4.088 1.00 51.01 H new ATOM 0 HB2 GLN A 12 16.026 -1.191 3.275 1.00 0.32 H new ATOM 0 HB3 GLN A 12 17.236 -2.452 3.151 1.00 0.32 H new ATOM 0 HG2 GLN A 12 15.505 -2.164 0.761 1.00 2.53 H new ATOM 0 HG3 GLN A 12 16.502 -0.766 1.116 1.00 2.53 H new ATOM 0 HE21 GLN A 12 16.565 -2.872 -1.062 1.00 22.30 H new ATOM 0 HE22 GLN A 12 18.224 -3.477 -1.045 1.00 22.30 H new ATOM 164 N PRO A 13 13.482 -1.852 4.184 1.00 51.42 N ATOM 165 CA PRO A 13 12.186 -1.182 4.327 1.00 75.43 C ATOM 166 C PRO A 13 12.058 0.034 3.416 1.00 15.01 C ATOM 167 O PRO A 13 13.014 0.787 3.231 1.00 63.22 O ATOM 168 CB PRO A 13 12.167 -0.755 5.796 1.00 3.53 C ATOM 169 CG PRO A 13 13.603 -0.635 6.174 1.00 45.22 C ATOM 170 CD PRO A 13 14.330 -1.682 5.375 1.00 1.45 C ATOM 0 HA PRO A 13 11.358 -1.833 4.048 1.00 75.43 H new ATOM 0 HB2 PRO A 13 11.643 0.192 5.926 1.00 3.53 H new ATOM 0 HB3 PRO A 13 11.655 -1.491 6.416 1.00 3.53 H new ATOM 0 HG2 PRO A 13 13.984 0.361 5.950 1.00 45.22 H new ATOM 0 HG3 PRO A 13 13.740 -0.795 7.243 1.00 45.22 H new ATOM 0 HD2 PRO A 13 15.336 -1.358 5.109 1.00 1.45 H new ATOM 0 HD3 PRO A 13 14.432 -2.613 5.932 1.00 1.45 H new ATOM 178 N HIS A 14 10.870 0.221 2.850 1.00 55.41 N ATOM 179 CA HIS A 14 10.616 1.348 1.959 1.00 45.12 C ATOM 180 C HIS A 14 9.410 2.154 2.431 1.00 4.24 C ATOM 181 O HIS A 14 8.769 1.808 3.423 1.00 33.05 O ATOM 182 CB HIS A 14 10.386 0.854 0.530 1.00 3.13 C ATOM 183 CG HIS A 14 11.414 -0.130 0.064 1.00 22.41 C ATOM 184 ND1 HIS A 14 11.103 -1.416 -0.325 1.00 31.33 N ATOM 185 CD2 HIS A 14 12.755 -0.011 -0.076 1.00 41.33 C ATOM 186 CE1 HIS A 14 12.208 -2.045 -0.682 1.00 61.43 C ATOM 187 NE2 HIS A 14 13.225 -1.214 -0.541 1.00 70.33 N ATOM 0 H HIS A 14 10.068 -0.393 2.992 1.00 55.41 H new ATOM 0 HA HIS A 14 11.492 1.996 1.975 1.00 45.12 H new ATOM 0 HB2 HIS A 14 9.400 0.394 0.468 1.00 3.13 H new ATOM 0 HB3 HIS A 14 10.382 1.710 -0.145 1.00 3.13 H new ATOM 0 HD1 HIS A 14 10.166 -1.819 -0.335 1.00 31.33 H new ATOM 0 HD2 HIS A 14 13.346 0.867 0.138 1.00 41.33 H new ATOM 0 HE1 HIS A 14 12.270 -3.066 -1.030 1.00 61.43 H new ATOM 195 N LYS A 15 9.108 3.232 1.715 1.00 33.24 N ATOM 196 CA LYS A 15 7.979 4.088 2.060 1.00 31.21 C ATOM 197 C LYS A 15 6.806 3.848 1.115 1.00 34.24 C ATOM 198 O LYS A 15 5.901 4.676 1.011 1.00 42.51 O ATOM 199 CB LYS A 15 8.395 5.560 2.010 1.00 33.22 C ATOM 200 CG LYS A 15 9.142 5.938 0.743 1.00 3.03 C ATOM 201 CD LYS A 15 10.594 6.282 1.034 1.00 74.12 C ATOM 202 CE LYS A 15 11.304 6.795 -0.209 1.00 3.50 C ATOM 203 NZ LYS A 15 12.099 8.023 0.074 1.00 74.03 N ATOM 0 H LYS A 15 9.630 3.534 0.892 1.00 33.24 H new ATOM 0 HA LYS A 15 7.663 3.840 3.073 1.00 31.21 H new ATOM 0 HB2 LYS A 15 7.505 6.184 2.097 1.00 33.22 H new ATOM 0 HB3 LYS A 15 9.024 5.781 2.872 1.00 33.22 H new ATOM 0 HG2 LYS A 15 9.098 5.112 0.033 1.00 3.03 H new ATOM 0 HG3 LYS A 15 8.653 6.790 0.271 1.00 3.03 H new ATOM 0 HD2 LYS A 15 10.640 7.037 1.819 1.00 74.12 H new ATOM 0 HD3 LYS A 15 11.110 5.399 1.411 1.00 74.12 H new ATOM 0 HE2 LYS A 15 11.962 6.018 -0.598 1.00 3.50 H new ATOM 0 HE3 LYS A 15 10.569 7.009 -0.985 1.00 3.50 H new ATOM 0 HZ1 LYS A 15 12.568 8.342 -0.798 1.00 74.03 H new ATOM 0 HZ2 LYS A 15 11.468 8.773 0.422 1.00 74.03 H new ATOM 0 HZ3 LYS A 15 12.817 7.813 0.796 1.00 74.03 H new ATOM 217 N ARG A 16 6.826 2.709 0.431 1.00 64.12 N ATOM 218 CA ARG A 16 5.764 2.360 -0.505 1.00 10.33 C ATOM 219 C ARG A 16 5.431 0.874 -0.420 1.00 30.41 C ATOM 220 O ARG A 16 6.312 0.022 -0.541 1.00 50.41 O ATOM 221 CB ARG A 16 6.175 2.721 -1.933 1.00 53.15 C ATOM 222 CG ARG A 16 6.777 4.111 -2.062 1.00 21.35 C ATOM 223 CD ARG A 16 6.869 4.546 -3.516 1.00 1.24 C ATOM 224 NE ARG A 16 8.036 3.978 -4.185 1.00 22.55 N ATOM 225 CZ ARG A 16 9.270 4.445 -4.033 1.00 63.01 C ATOM 226 NH1 ARG A 16 9.497 5.483 -3.240 1.00 20.22 N ATOM 227 NH2 ARG A 16 10.281 3.874 -4.676 1.00 30.43 N ATOM 0 H ARG A 16 7.566 2.012 0.507 1.00 64.12 H new ATOM 0 HA ARG A 16 4.875 2.930 -0.235 1.00 10.33 H new ATOM 0 HB2 ARG A 16 6.897 1.987 -2.290 1.00 53.15 H new ATOM 0 HB3 ARG A 16 5.302 2.651 -2.582 1.00 53.15 H new ATOM 0 HG2 ARG A 16 6.170 4.825 -1.505 1.00 21.35 H new ATOM 0 HG3 ARG A 16 7.771 4.121 -1.615 1.00 21.35 H new ATOM 0 HD2 ARG A 16 5.965 4.241 -4.043 1.00 1.24 H new ATOM 0 HD3 ARG A 16 6.916 5.634 -3.567 1.00 1.24 H new ATOM 0 HE ARG A 16 7.896 3.179 -4.803 1.00 22.55 H new ATOM 0 HH11 ARG A 16 8.723 5.925 -2.745 1.00 20.22 H new ATOM 0 HH12 ARG A 16 10.446 5.839 -3.125 1.00 20.22 H new ATOM 0 HH21 ARG A 16 10.111 3.076 -5.288 1.00 30.43 H new ATOM 0 HH22 ARG A 16 11.228 4.234 -4.559 1.00 30.43 H new ATOM 241 N TRP A 17 4.155 0.570 -0.211 1.00 23.35 N ATOM 242 CA TRP A 17 3.706 -0.814 -0.109 1.00 23.32 C ATOM 243 C TRP A 17 2.261 -0.953 -0.575 1.00 63.50 C ATOM 244 O TRP A 17 1.405 -0.141 -0.225 1.00 32.40 O ATOM 245 CB TRP A 17 3.840 -1.311 1.332 1.00 65.04 C ATOM 246 CG TRP A 17 5.262 -1.517 1.759 1.00 42.30 C ATOM 247 CD1 TRP A 17 6.056 -0.625 2.423 1.00 73.03 C ATOM 248 CD2 TRP A 17 6.059 -2.688 1.550 1.00 10.21 C ATOM 249 NE1 TRP A 17 7.298 -1.171 2.639 1.00 72.30 N ATOM 250 CE2 TRP A 17 7.325 -2.436 2.114 1.00 21.20 C ATOM 251 CE3 TRP A 17 5.826 -3.925 0.944 1.00 53.14 C ATOM 252 CZ2 TRP A 17 8.352 -3.376 2.087 1.00 72.31 C ATOM 253 CZ3 TRP A 17 6.846 -4.857 0.917 1.00 13.32 C ATOM 254 CH2 TRP A 17 8.096 -4.579 1.487 1.00 73.15 C ATOM 0 H TRP A 17 3.413 1.263 -0.109 1.00 23.35 H new ATOM 0 HA TRP A 17 4.337 -1.423 -0.756 1.00 23.32 H new ATOM 0 HB2 TRP A 17 3.367 -0.593 2.002 1.00 65.04 H new ATOM 0 HB3 TRP A 17 3.297 -2.250 1.437 1.00 65.04 H new ATOM 0 HD1 TRP A 17 5.752 0.364 2.733 1.00 73.03 H new ATOM 0 HE1 TRP A 17 8.074 -0.709 3.113 1.00 72.30 H new ATOM 0 HE3 TRP A 17 4.865 -4.149 0.504 1.00 53.14 H new ATOM 0 HZ2 TRP A 17 9.316 -3.163 2.524 1.00 72.31 H new ATOM 0 HZ3 TRP A 17 6.677 -5.816 0.449 1.00 13.32 H new ATOM 0 HH2 TRP A 17 8.872 -5.329 1.452 1.00 73.15 H new ATOM 265 N VAL A 18 1.996 -1.988 -1.367 1.00 3.12 N ATOM 266 CA VAL A 18 0.654 -2.234 -1.880 1.00 11.32 C ATOM 267 C VAL A 18 0.019 -3.442 -1.201 1.00 61.32 C ATOM 268 O VAL A 18 0.712 -4.272 -0.612 1.00 31.02 O ATOM 269 CB VAL A 18 0.668 -2.463 -3.403 1.00 3.32 C ATOM 270 CG1 VAL A 18 1.265 -1.260 -4.118 1.00 71.11 C ATOM 271 CG2 VAL A 18 1.436 -3.731 -3.743 1.00 43.13 C ATOM 0 H VAL A 18 2.693 -2.669 -1.667 1.00 3.12 H new ATOM 0 HA VAL A 18 0.063 -1.345 -1.660 1.00 11.32 H new ATOM 0 HB VAL A 18 -0.360 -2.585 -3.745 1.00 3.32 H new ATOM 0 HG11 VAL A 18 1.267 -1.440 -5.193 1.00 71.11 H new ATOM 0 HG12 VAL A 18 0.669 -0.374 -3.899 1.00 71.11 H new ATOM 0 HG13 VAL A 18 2.288 -1.103 -3.775 1.00 71.11 H new ATOM 0 HG21 VAL A 18 1.436 -3.878 -4.823 1.00 43.13 H new ATOM 0 HG22 VAL A 18 2.463 -3.640 -3.389 1.00 43.13 H new ATOM 0 HG23 VAL A 18 0.960 -4.585 -3.261 1.00 43.13 H new ATOM 281 N PHE A 19 -1.304 -3.536 -1.289 1.00 23.14 N ATOM 282 CA PHE A 19 -2.033 -4.644 -0.682 1.00 53.45 C ATOM 283 C PHE A 19 -3.090 -5.188 -1.640 1.00 1.53 C ATOM 284 O PHE A 19 -3.693 -4.438 -2.409 1.00 31.23 O ATOM 285 CB PHE A 19 -2.694 -4.194 0.622 1.00 11.41 C ATOM 286 CG PHE A 19 -3.542 -2.963 0.471 1.00 3.23 C ATOM 287 CD1 PHE A 19 -2.964 -1.703 0.475 1.00 74.31 C ATOM 288 CD2 PHE A 19 -4.916 -3.065 0.327 1.00 61.54 C ATOM 289 CE1 PHE A 19 -3.741 -0.569 0.336 1.00 55.40 C ATOM 290 CE2 PHE A 19 -5.698 -1.935 0.187 1.00 41.51 C ATOM 291 CZ PHE A 19 -5.110 -0.685 0.193 1.00 52.42 C ATOM 0 H PHE A 19 -1.893 -2.859 -1.774 1.00 23.14 H new ATOM 0 HA PHE A 19 -1.321 -5.440 -0.464 1.00 53.45 H new ATOM 0 HB2 PHE A 19 -3.312 -5.006 1.006 1.00 11.41 H new ATOM 0 HB3 PHE A 19 -1.920 -4.003 1.365 1.00 11.41 H new ATOM 0 HD1 PHE A 19 -1.894 -1.607 0.588 1.00 74.31 H new ATOM 0 HD2 PHE A 19 -5.381 -4.040 0.324 1.00 61.54 H new ATOM 0 HE1 PHE A 19 -3.279 0.407 0.339 1.00 55.40 H new ATOM 0 HE2 PHE A 19 -6.768 -2.029 0.073 1.00 41.51 H new ATOM 0 HZ PHE A 19 -5.720 0.200 0.086 1.00 52.42 H new ATOM 301 N THR A 20 -3.309 -6.498 -1.588 1.00 1.25 N ATOM 302 CA THR A 20 -4.290 -7.144 -2.450 1.00 13.41 C ATOM 303 C THR A 20 -4.909 -8.357 -1.766 1.00 35.03 C ATOM 304 O THR A 20 -4.199 -9.229 -1.263 1.00 12.33 O ATOM 305 CB THR A 20 -3.661 -7.586 -3.784 1.00 63.41 C ATOM 306 OG1 THR A 20 -2.702 -8.624 -3.553 1.00 23.33 O ATOM 307 CG2 THR A 20 -2.988 -6.413 -4.481 1.00 21.33 C ATOM 0 H THR A 20 -2.819 -7.133 -0.957 1.00 1.25 H new ATOM 0 HA THR A 20 -5.068 -6.407 -2.650 1.00 13.41 H new ATOM 0 HB THR A 20 -4.456 -7.963 -4.428 1.00 63.41 H new ATOM 0 HG1 THR A 20 -2.877 -9.044 -2.685 1.00 23.33 H new ATOM 0 HG21 THR A 20 -2.551 -6.750 -5.421 1.00 21.33 H new ATOM 0 HG22 THR A 20 -3.726 -5.637 -4.682 1.00 21.33 H new ATOM 0 HG23 THR A 20 -2.204 -6.010 -3.840 1.00 21.33 H new ATOM 315 N LEU A 21 -6.237 -8.408 -1.751 1.00 22.45 N ATOM 316 CA LEU A 21 -6.952 -9.517 -1.128 1.00 55.21 C ATOM 317 C LEU A 21 -8.139 -9.948 -1.984 1.00 52.11 C ATOM 318 O LEU A 21 -8.966 -9.125 -2.375 1.00 61.34 O ATOM 319 CB LEU A 21 -7.434 -9.119 0.268 1.00 0.12 C ATOM 320 CG LEU A 21 -8.110 -10.221 1.084 1.00 30.14 C ATOM 321 CD1 LEU A 21 -7.079 -11.003 1.883 1.00 4.10 C ATOM 322 CD2 LEU A 21 -9.166 -9.630 2.007 1.00 3.04 C ATOM 0 H LEU A 21 -6.840 -7.695 -2.163 1.00 22.45 H new ATOM 0 HA LEU A 21 -6.264 -10.358 -1.042 1.00 55.21 H new ATOM 0 HB2 LEU A 21 -6.579 -8.748 0.834 1.00 0.12 H new ATOM 0 HB3 LEU A 21 -8.133 -8.289 0.166 1.00 0.12 H new ATOM 0 HG LEU A 21 -8.602 -10.907 0.394 1.00 30.14 H new ATOM 0 HD11 LEU A 21 -7.579 -11.783 2.457 1.00 4.10 H new ATOM 0 HD12 LEU A 21 -6.360 -11.458 1.202 1.00 4.10 H new ATOM 0 HD13 LEU A 21 -6.558 -10.329 2.563 1.00 4.10 H new ATOM 0 HD21 LEU A 21 -9.637 -10.429 2.580 1.00 3.04 H new ATOM 0 HD22 LEU A 21 -8.697 -8.922 2.690 1.00 3.04 H new ATOM 0 HD23 LEU A 21 -9.922 -9.116 1.413 1.00 3.04 H new ATOM 334 N ASN A 22 -8.217 -11.244 -2.269 1.00 41.30 N ATOM 335 CA ASN A 22 -9.304 -11.785 -3.077 1.00 43.43 C ATOM 336 C ASN A 22 -10.581 -11.915 -2.254 1.00 15.52 C ATOM 337 O ASN A 22 -10.573 -12.479 -1.161 1.00 22.21 O ATOM 338 CB ASN A 22 -8.912 -13.148 -3.649 1.00 64.45 C ATOM 339 CG ASN A 22 -8.694 -14.189 -2.568 1.00 13.55 C ATOM 340 OD1 ASN A 22 -9.635 -14.850 -2.129 1.00 14.24 O ATOM 341 ND2 ASN A 22 -7.449 -14.338 -2.132 1.00 3.41 N ATOM 0 H ASN A 22 -7.541 -11.939 -1.952 1.00 41.30 H new ATOM 0 HA ASN A 22 -9.491 -11.094 -3.899 1.00 43.43 H new ATOM 0 HB2 ASN A 22 -9.692 -13.492 -4.328 1.00 64.45 H new ATOM 0 HB3 ASN A 22 -8.001 -13.043 -4.238 1.00 64.45 H new ATOM 0 HD21 ASN A 22 -7.242 -15.022 -1.404 1.00 3.41 H new ATOM 0 HD22 ASN A 22 -6.700 -13.768 -2.525 1.00 3.41 H new ATOM 348 N ASN A 23 -11.679 -11.388 -2.787 1.00 41.23 N ATOM 349 CA ASN A 23 -12.965 -11.445 -2.102 1.00 51.20 C ATOM 350 C ASN A 23 -12.841 -10.934 -0.670 1.00 33.44 C ATOM 351 O ASN A 23 -12.998 -11.680 0.297 1.00 20.33 O ATOM 352 CB ASN A 23 -13.502 -12.877 -2.100 1.00 75.32 C ATOM 353 CG ASN A 23 -14.835 -12.994 -1.385 1.00 64.20 C ATOM 354 OD1 ASN A 23 -15.041 -13.900 -0.577 1.00 62.02 O ATOM 355 ND2 ASN A 23 -15.747 -12.075 -1.680 1.00 21.30 N ATOM 0 H ASN A 23 -11.704 -10.917 -3.691 1.00 41.23 H new ATOM 0 HA ASN A 23 -13.664 -10.803 -2.639 1.00 51.20 H new ATOM 0 HB2 ASN A 23 -13.613 -13.222 -3.128 1.00 75.32 H new ATOM 0 HB3 ASN A 23 -12.776 -13.534 -1.620 1.00 75.32 H new ATOM 0 HD21 ASN A 23 -16.662 -12.102 -1.230 1.00 21.30 H new ATOM 0 HD22 ASN A 23 -15.532 -11.342 -2.356 1.00 21.30 H new ATOM 362 N PRO A 24 -12.554 -9.632 -0.528 1.00 42.14 N ATOM 363 CA PRO A 24 -12.404 -8.992 0.782 1.00 42.11 C ATOM 364 C PRO A 24 -13.729 -8.881 1.528 1.00 50.20 C ATOM 365 O PRO A 24 -14.788 -8.751 0.915 1.00 54.22 O ATOM 366 CB PRO A 24 -11.866 -7.601 0.438 1.00 43.23 C ATOM 367 CG PRO A 24 -12.338 -7.345 -0.952 1.00 32.12 C ATOM 368 CD PRO A 24 -12.354 -8.684 -1.637 1.00 3.51 C ATOM 0 HA PRO A 24 -11.753 -9.564 1.443 1.00 42.11 H new ATOM 0 HB2 PRO A 24 -12.244 -6.848 1.129 1.00 43.23 H new ATOM 0 HB3 PRO A 24 -10.778 -7.571 0.498 1.00 43.23 H new ATOM 0 HG2 PRO A 24 -13.331 -6.896 -0.950 1.00 32.12 H new ATOM 0 HG3 PRO A 24 -11.675 -6.651 -1.468 1.00 32.12 H new ATOM 0 HD2 PRO A 24 -13.156 -8.750 -2.372 1.00 3.51 H new ATOM 0 HD3 PRO A 24 -11.421 -8.876 -2.166 1.00 3.51 H new ATOM 376 N SER A 25 -13.662 -8.933 2.854 1.00 12.55 N ATOM 377 CA SER A 25 -14.858 -8.841 3.684 1.00 1.02 C ATOM 378 C SER A 25 -15.131 -7.395 4.086 1.00 41.30 C ATOM 379 O SER A 25 -14.246 -6.542 4.013 1.00 35.33 O ATOM 380 CB SER A 25 -14.705 -9.709 4.934 1.00 25.34 C ATOM 381 OG SER A 25 -15.455 -10.906 4.819 1.00 1.15 O ATOM 0 H SER A 25 -12.793 -9.038 3.377 1.00 12.55 H new ATOM 0 HA SER A 25 -15.704 -9.203 3.100 1.00 1.02 H new ATOM 0 HB2 SER A 25 -13.653 -9.949 5.087 1.00 25.34 H new ATOM 0 HB3 SER A 25 -15.036 -9.152 5.810 1.00 25.34 H new ATOM 0 HG SER A 25 -15.339 -11.444 5.630 1.00 1.15 H new ATOM 387 N GLU A 26 -16.362 -7.127 4.510 1.00 71.21 N ATOM 388 CA GLU A 26 -16.752 -5.784 4.922 1.00 33.15 C ATOM 389 C GLU A 26 -15.959 -5.339 6.148 1.00 62.33 C ATOM 390 O GLU A 26 -15.711 -4.149 6.341 1.00 24.13 O ATOM 391 CB GLU A 26 -18.251 -5.735 5.227 1.00 70.14 C ATOM 392 CG GLU A 26 -19.045 -4.893 4.242 1.00 62.44 C ATOM 393 CD GLU A 26 -20.194 -4.154 4.899 1.00 3.03 C ATOM 394 OE1 GLU A 26 -21.244 -4.785 5.141 1.00 62.40 O ATOM 395 OE2 GLU A 26 -20.043 -2.945 5.172 1.00 12.20 O ATOM 0 H GLU A 26 -17.106 -7.822 4.577 1.00 71.21 H new ATOM 0 HA GLU A 26 -16.532 -5.102 4.101 1.00 33.15 H new ATOM 0 HB2 GLU A 26 -18.647 -6.751 5.226 1.00 70.14 H new ATOM 0 HB3 GLU A 26 -18.396 -5.338 6.232 1.00 70.14 H new ATOM 0 HG2 GLU A 26 -18.379 -4.173 3.767 1.00 62.44 H new ATOM 0 HG3 GLU A 26 -19.435 -5.536 3.453 1.00 62.44 H new ATOM 402 N ASP A 27 -15.564 -6.304 6.972 1.00 54.23 N ATOM 403 CA ASP A 27 -14.799 -6.013 8.178 1.00 4.03 C ATOM 404 C ASP A 27 -13.357 -5.652 7.833 1.00 12.12 C ATOM 405 O ASP A 27 -12.829 -4.648 8.309 1.00 44.32 O ATOM 406 CB ASP A 27 -14.824 -7.213 9.126 1.00 60.33 C ATOM 407 CG ASP A 27 -15.399 -6.866 10.485 1.00 63.00 C ATOM 408 OD1 ASP A 27 -14.964 -5.853 11.071 1.00 24.24 O ATOM 409 OD2 ASP A 27 -16.283 -7.608 10.963 1.00 40.43 O ATOM 0 H ASP A 27 -15.761 -7.294 6.826 1.00 54.23 H new ATOM 0 HA ASP A 27 -15.260 -5.159 8.674 1.00 4.03 H new ATOM 0 HB2 ASP A 27 -15.414 -8.013 8.679 1.00 60.33 H new ATOM 0 HB3 ASP A 27 -13.811 -7.595 9.250 1.00 60.33 H new ATOM 414 N GLU A 28 -12.728 -6.478 7.004 1.00 64.40 N ATOM 415 CA GLU A 28 -11.347 -6.246 6.598 1.00 64.24 C ATOM 416 C GLU A 28 -11.244 -5.022 5.692 1.00 34.12 C ATOM 417 O GLU A 28 -10.380 -4.166 5.883 1.00 34.10 O ATOM 418 CB GLU A 28 -10.790 -7.476 5.876 1.00 13.41 C ATOM 419 CG GLU A 28 -9.470 -7.969 6.444 1.00 34.34 C ATOM 420 CD GLU A 28 -9.602 -8.481 7.866 1.00 51.32 C ATOM 421 OE1 GLU A 28 -9.472 -7.666 8.803 1.00 13.42 O ATOM 422 OE2 GLU A 28 -9.834 -9.695 8.041 1.00 14.11 O ATOM 0 H GLU A 28 -13.152 -7.313 6.600 1.00 64.40 H new ATOM 0 HA GLU A 28 -10.758 -6.063 7.496 1.00 64.24 H new ATOM 0 HB2 GLU A 28 -11.523 -8.281 5.930 1.00 13.41 H new ATOM 0 HB3 GLU A 28 -10.656 -7.238 4.821 1.00 13.41 H new ATOM 0 HG2 GLU A 28 -9.080 -8.765 5.810 1.00 34.34 H new ATOM 0 HG3 GLU A 28 -8.743 -7.158 6.420 1.00 34.34 H new ATOM 429 N ARG A 29 -12.132 -4.947 4.706 1.00 33.01 N ATOM 430 CA ARG A 29 -12.142 -3.830 3.770 1.00 45.42 C ATOM 431 C ARG A 29 -12.359 -2.509 4.502 1.00 42.40 C ATOM 432 O ARG A 29 -11.781 -1.483 4.140 1.00 33.12 O ATOM 433 CB ARG A 29 -13.234 -4.027 2.717 1.00 31.34 C ATOM 434 CG ARG A 29 -13.176 -3.019 1.582 1.00 43.31 C ATOM 435 CD ARG A 29 -14.568 -2.587 1.148 1.00 3.22 C ATOM 436 NE ARG A 29 -14.887 -1.235 1.600 1.00 42.04 N ATOM 437 CZ ARG A 29 -16.003 -0.594 1.269 1.00 24.25 C ATOM 438 NH1 ARG A 29 -16.901 -1.179 0.490 1.00 72.42 N ATOM 439 NH2 ARG A 29 -16.222 0.635 1.720 1.00 65.41 N ATOM 0 H ARG A 29 -12.854 -5.647 4.535 1.00 33.01 H new ATOM 0 HA ARG A 29 -11.172 -3.796 3.275 1.00 45.42 H new ATOM 0 HB2 ARG A 29 -13.151 -5.032 2.303 1.00 31.34 H new ATOM 0 HB3 ARG A 29 -14.209 -3.961 3.200 1.00 31.34 H new ATOM 0 HG2 ARG A 29 -12.605 -2.146 1.898 1.00 43.31 H new ATOM 0 HG3 ARG A 29 -12.648 -3.455 0.734 1.00 43.31 H new ATOM 0 HD2 ARG A 29 -14.639 -2.632 0.061 1.00 3.22 H new ATOM 0 HD3 ARG A 29 -15.305 -3.285 1.545 1.00 3.22 H new ATOM 0 HE ARG A 29 -14.217 -0.757 2.202 1.00 42.04 H new ATOM 0 HH11 ARG A 29 -16.737 -2.124 0.143 1.00 72.42 H new ATOM 0 HH12 ARG A 29 -17.757 -0.685 0.238 1.00 72.42 H new ATOM 0 HH21 ARG A 29 -15.533 1.088 2.321 1.00 65.41 H new ATOM 0 HH22 ARG A 29 -17.079 1.126 1.466 1.00 65.41 H new ATOM 453 N LYS A 30 -13.196 -2.541 5.533 1.00 2.54 N ATOM 454 CA LYS A 30 -13.490 -1.347 6.318 1.00 61.20 C ATOM 455 C LYS A 30 -12.281 -0.931 7.149 1.00 4.31 C ATOM 456 O LYS A 30 -12.031 0.258 7.348 1.00 4.32 O ATOM 457 CB LYS A 30 -14.690 -1.597 7.234 1.00 30.11 C ATOM 458 CG LYS A 30 -14.970 -0.455 8.195 1.00 3.23 C ATOM 459 CD LYS A 30 -16.439 -0.066 8.187 1.00 24.22 C ATOM 460 CE LYS A 30 -17.260 -0.972 9.092 1.00 61.35 C ATOM 461 NZ LYS A 30 -17.247 -0.505 10.505 1.00 5.43 N ATOM 0 H LYS A 30 -13.683 -3.381 5.845 1.00 2.54 H new ATOM 0 HA LYS A 30 -13.730 -0.538 5.627 1.00 61.20 H new ATOM 0 HB2 LYS A 30 -15.575 -1.770 6.621 1.00 30.11 H new ATOM 0 HB3 LYS A 30 -14.516 -2.508 7.806 1.00 30.11 H new ATOM 0 HG2 LYS A 30 -14.675 -0.746 9.203 1.00 3.23 H new ATOM 0 HG3 LYS A 30 -14.363 0.408 7.922 1.00 3.23 H new ATOM 0 HD2 LYS A 30 -16.544 0.969 8.514 1.00 24.22 H new ATOM 0 HD3 LYS A 30 -16.825 -0.120 7.169 1.00 24.22 H new ATOM 0 HE2 LYS A 30 -18.288 -1.010 8.732 1.00 61.35 H new ATOM 0 HE3 LYS A 30 -16.867 -1.988 9.042 1.00 61.35 H new ATOM 0 HZ1 LYS A 30 -17.818 -1.149 11.089 1.00 5.43 H new ATOM 0 HZ2 LYS A 30 -16.269 -0.493 10.858 1.00 5.43 H new ATOM 0 HZ3 LYS A 30 -17.645 0.454 10.557 1.00 5.43 H new ATOM 475 N LYS A 31 -11.532 -1.917 7.631 1.00 3.21 N ATOM 476 CA LYS A 31 -10.346 -1.654 8.438 1.00 14.34 C ATOM 477 C LYS A 31 -9.317 -0.851 7.649 1.00 73.34 C ATOM 478 O LYS A 31 -8.838 0.185 8.110 1.00 64.31 O ATOM 479 CB LYS A 31 -9.727 -2.969 8.915 1.00 25.21 C ATOM 480 CG LYS A 31 -8.368 -2.798 9.572 1.00 64.42 C ATOM 481 CD LYS A 31 -7.265 -3.442 8.748 1.00 51.35 C ATOM 482 CE LYS A 31 -6.786 -4.742 9.375 1.00 11.44 C ATOM 483 NZ LYS A 31 -6.248 -4.530 10.748 1.00 50.53 N ATOM 0 H LYS A 31 -11.725 -2.907 7.477 1.00 3.21 H new ATOM 0 HA LYS A 31 -10.650 -1.067 9.305 1.00 14.34 H new ATOM 0 HB2 LYS A 31 -10.406 -3.445 9.622 1.00 25.21 H new ATOM 0 HB3 LYS A 31 -9.628 -3.644 8.065 1.00 25.21 H new ATOM 0 HG2 LYS A 31 -8.156 -1.737 9.700 1.00 64.42 H new ATOM 0 HG3 LYS A 31 -8.386 -3.241 10.568 1.00 64.42 H new ATOM 0 HD2 LYS A 31 -7.629 -3.636 7.739 1.00 51.35 H new ATOM 0 HD3 LYS A 31 -6.427 -2.751 8.657 1.00 51.35 H new ATOM 0 HE2 LYS A 31 -7.612 -5.452 9.414 1.00 11.44 H new ATOM 0 HE3 LYS A 31 -6.014 -5.185 8.747 1.00 11.44 H new ATOM 0 HZ1 LYS A 31 -5.510 -5.236 10.945 1.00 50.53 H new ATOM 0 HZ2 LYS A 31 -5.841 -3.576 10.818 1.00 50.53 H new ATOM 0 HZ3 LYS A 31 -7.017 -4.630 11.441 1.00 50.53 H new ATOM 497 N ILE A 32 -8.984 -1.336 6.457 1.00 10.40 N ATOM 498 CA ILE A 32 -8.014 -0.661 5.603 1.00 31.41 C ATOM 499 C ILE A 32 -8.512 0.720 5.190 1.00 64.51 C ATOM 500 O ILE A 32 -7.752 1.688 5.184 1.00 43.13 O ATOM 501 CB ILE A 32 -7.710 -1.485 4.338 1.00 42.13 C ATOM 502 CG1 ILE A 32 -6.748 -2.628 4.666 1.00 23.51 C ATOM 503 CG2 ILE A 32 -7.129 -0.592 3.252 1.00 44.13 C ATOM 504 CD1 ILE A 32 -6.507 -3.568 3.505 1.00 35.23 C ATOM 0 H ILE A 32 -9.371 -2.193 6.061 1.00 10.40 H new ATOM 0 HA ILE A 32 -7.099 -0.555 6.186 1.00 31.41 H new ATOM 0 HB ILE A 32 -8.642 -1.914 3.969 1.00 42.13 H new ATOM 0 HG12 ILE A 32 -5.795 -2.209 4.987 1.00 23.51 H new ATOM 0 HG13 ILE A 32 -7.146 -3.197 5.507 1.00 23.51 H new ATOM 0 HG21 ILE A 32 -6.919 -1.188 2.364 1.00 44.13 H new ATOM 0 HG22 ILE A 32 -7.846 0.191 3.002 1.00 44.13 H new ATOM 0 HG23 ILE A 32 -6.205 -0.137 3.610 1.00 44.13 H new ATOM 0 HD11 ILE A 32 -5.815 -4.353 3.810 1.00 35.23 H new ATOM 0 HD12 ILE A 32 -7.452 -4.016 3.197 1.00 35.23 H new ATOM 0 HD13 ILE A 32 -6.080 -3.013 2.670 1.00 35.23 H new ATOM 516 N ARG A 33 -9.793 0.803 4.847 1.00 61.42 N ATOM 517 CA ARG A 33 -10.393 2.065 4.433 1.00 43.32 C ATOM 518 C ARG A 33 -10.530 3.016 5.618 1.00 10.31 C ATOM 519 O ARG A 33 -10.641 4.230 5.443 1.00 34.14 O ATOM 520 CB ARG A 33 -11.764 1.820 3.800 1.00 1.05 C ATOM 521 CG ARG A 33 -12.543 3.095 3.522 1.00 10.00 C ATOM 522 CD ARG A 33 -13.710 2.841 2.580 1.00 24.43 C ATOM 523 NE ARG A 33 -14.988 3.213 3.180 1.00 52.34 N ATOM 524 CZ ARG A 33 -15.445 4.460 3.220 1.00 31.14 C ATOM 525 NH1 ARG A 33 -14.732 5.448 2.699 1.00 4.41 N ATOM 526 NH2 ARG A 33 -16.618 4.720 3.783 1.00 34.30 N ATOM 0 H ARG A 33 -10.435 0.011 4.848 1.00 61.42 H new ATOM 0 HA ARG A 33 -9.737 2.525 3.694 1.00 43.32 H new ATOM 0 HB2 ARG A 33 -11.631 1.274 2.866 1.00 1.05 H new ATOM 0 HB3 ARG A 33 -12.351 1.182 4.461 1.00 1.05 H new ATOM 0 HG2 ARG A 33 -12.914 3.508 4.460 1.00 10.00 H new ATOM 0 HG3 ARG A 33 -11.878 3.841 3.087 1.00 10.00 H new ATOM 0 HD2 ARG A 33 -13.563 3.407 1.660 1.00 24.43 H new ATOM 0 HD3 ARG A 33 -13.732 1.786 2.306 1.00 24.43 H new ATOM 0 HE ARG A 33 -15.561 2.476 3.591 1.00 52.34 H new ATOM 0 HH11 ARG A 33 -13.830 5.252 2.266 1.00 4.41 H new ATOM 0 HH12 ARG A 33 -15.086 6.404 2.731 1.00 4.41 H new ATOM 0 HH21 ARG A 33 -17.170 3.962 4.186 1.00 34.30 H new ATOM 0 HH22 ARG A 33 -16.968 5.678 3.813 1.00 34.30 H new ATOM 540 N ASP A 34 -10.522 2.457 6.823 1.00 61.31 N ATOM 541 CA ASP A 34 -10.645 3.255 8.037 1.00 20.54 C ATOM 542 C ASP A 34 -9.275 3.520 8.654 1.00 12.31 C ATOM 543 O ASP A 34 -9.174 4.033 9.769 1.00 4.43 O ATOM 544 CB ASP A 34 -11.545 2.545 9.050 1.00 11.01 C ATOM 545 CG ASP A 34 -11.899 3.429 10.230 1.00 44.32 C ATOM 546 OD1 ASP A 34 -12.516 4.493 10.011 1.00 70.34 O ATOM 547 OD2 ASP A 34 -11.559 3.057 11.372 1.00 4.52 O ATOM 0 H ASP A 34 -10.432 1.454 6.985 1.00 61.31 H new ATOM 0 HA ASP A 34 -11.095 4.211 7.770 1.00 20.54 H new ATOM 0 HB2 ASP A 34 -12.460 2.222 8.554 1.00 11.01 H new ATOM 0 HB3 ASP A 34 -11.043 1.647 9.410 1.00 11.01 H new ATOM 552 N LEU A 35 -8.224 3.167 7.923 1.00 52.05 N ATOM 553 CA LEU A 35 -6.859 3.366 8.398 1.00 54.32 C ATOM 554 C LEU A 35 -6.539 4.852 8.527 1.00 14.04 C ATOM 555 O LEU A 35 -7.200 5.708 7.939 1.00 41.13 O ATOM 556 CB LEU A 35 -5.865 2.700 7.446 1.00 64.21 C ATOM 557 CG LEU A 35 -5.629 1.204 7.661 1.00 40.34 C ATOM 558 CD1 LEU A 35 -4.770 0.634 6.543 1.00 22.51 C ATOM 559 CD2 LEU A 35 -4.980 0.956 9.015 1.00 74.45 C ATOM 0 H LEU A 35 -8.291 2.741 6.998 1.00 52.05 H new ATOM 0 HA LEU A 35 -6.773 2.907 9.383 1.00 54.32 H new ATOM 0 HB2 LEU A 35 -6.215 2.849 6.425 1.00 64.21 H new ATOM 0 HB3 LEU A 35 -4.908 3.215 7.533 1.00 64.21 H new ATOM 0 HG LEU A 35 -6.594 0.697 7.645 1.00 40.34 H new ATOM 0 HD11 LEU A 35 -4.612 -0.431 6.712 1.00 22.51 H new ATOM 0 HD12 LEU A 35 -5.274 0.779 5.587 1.00 22.51 H new ATOM 0 HD13 LEU A 35 -3.807 1.145 6.527 1.00 22.51 H new ATOM 0 HD21 LEU A 35 -4.819 -0.113 9.151 1.00 74.45 H new ATOM 0 HD22 LEU A 35 -4.023 1.475 9.060 1.00 74.45 H new ATOM 0 HD23 LEU A 35 -5.632 1.328 9.805 1.00 74.45 H new ATOM 571 N PRO A 36 -5.500 5.167 9.315 1.00 54.31 N ATOM 572 CA PRO A 36 -5.067 6.550 9.538 1.00 31.20 C ATOM 573 C PRO A 36 -4.438 7.168 8.294 1.00 10.11 C ATOM 574 O PRO A 36 -3.417 6.689 7.800 1.00 20.22 O ATOM 575 CB PRO A 36 -4.028 6.420 10.655 1.00 40.05 C ATOM 576 CG PRO A 36 -3.511 5.028 10.531 1.00 12.22 C ATOM 577 CD PRO A 36 -4.668 4.198 10.048 1.00 51.35 C ATOM 0 HA PRO A 36 -5.902 7.204 9.788 1.00 31.20 H new ATOM 0 HB2 PRO A 36 -3.228 7.151 10.539 1.00 40.05 H new ATOM 0 HB3 PRO A 36 -4.476 6.590 11.634 1.00 40.05 H new ATOM 0 HG2 PRO A 36 -2.678 4.982 9.829 1.00 12.22 H new ATOM 0 HG3 PRO A 36 -3.141 4.662 11.489 1.00 12.22 H new ATOM 0 HD2 PRO A 36 -4.337 3.384 9.403 1.00 51.35 H new ATOM 0 HD3 PRO A 36 -5.213 3.747 10.877 1.00 51.35 H new ATOM 585 N ILE A 37 -5.053 8.234 7.793 1.00 32.03 N ATOM 586 CA ILE A 37 -4.552 8.918 6.608 1.00 44.01 C ATOM 587 C ILE A 37 -3.233 9.627 6.899 1.00 53.01 C ATOM 588 O ILE A 37 -2.358 9.710 6.038 1.00 63.34 O ATOM 589 CB ILE A 37 -5.569 9.946 6.079 1.00 43.43 C ATOM 590 CG1 ILE A 37 -6.004 10.890 7.202 1.00 41.13 C ATOM 591 CG2 ILE A 37 -6.774 9.238 5.478 1.00 43.55 C ATOM 592 CD1 ILE A 37 -6.946 11.981 6.743 1.00 32.10 C ATOM 0 H ILE A 37 -5.899 8.643 8.190 1.00 32.03 H new ATOM 0 HA ILE A 37 -4.391 8.154 5.847 1.00 44.01 H new ATOM 0 HB ILE A 37 -5.093 10.537 5.297 1.00 43.43 H new ATOM 0 HG12 ILE A 37 -6.489 10.309 7.987 1.00 41.13 H new ATOM 0 HG13 ILE A 37 -5.119 11.348 7.644 1.00 41.13 H new ATOM 0 HG21 ILE A 37 -7.484 9.978 5.108 1.00 43.55 H new ATOM 0 HG22 ILE A 37 -6.449 8.603 4.653 1.00 43.55 H new ATOM 0 HG23 ILE A 37 -7.253 8.625 6.241 1.00 43.55 H new ATOM 0 HD11 ILE A 37 -7.213 12.612 7.591 1.00 32.10 H new ATOM 0 HD12 ILE A 37 -6.457 12.586 5.980 1.00 32.10 H new ATOM 0 HD13 ILE A 37 -7.848 11.532 6.327 1.00 32.10 H new ATOM 604 N SER A 38 -3.098 10.136 8.119 1.00 31.14 N ATOM 605 CA SER A 38 -1.887 10.840 8.524 1.00 20.12 C ATOM 606 C SER A 38 -0.695 9.889 8.567 1.00 45.11 C ATOM 607 O SER A 38 0.458 10.316 8.492 1.00 43.43 O ATOM 608 CB SER A 38 -2.084 11.491 9.895 1.00 70.24 C ATOM 609 OG SER A 38 -2.466 12.849 9.764 1.00 54.01 O ATOM 0 H SER A 38 -3.812 10.074 8.844 1.00 31.14 H new ATOM 0 HA SER A 38 -1.684 11.617 7.787 1.00 20.12 H new ATOM 0 HB2 SER A 38 -2.847 10.948 10.453 1.00 70.24 H new ATOM 0 HB3 SER A 38 -1.160 11.424 10.469 1.00 70.24 H new ATOM 0 HG SER A 38 -2.587 13.242 10.654 1.00 54.01 H new ATOM 615 N LEU A 39 -0.980 8.597 8.688 1.00 11.52 N ATOM 616 CA LEU A 39 0.068 7.584 8.741 1.00 32.11 C ATOM 617 C LEU A 39 0.699 7.381 7.367 1.00 34.43 C ATOM 618 O LEU A 39 1.871 7.020 7.258 1.00 53.01 O ATOM 619 CB LEU A 39 -0.501 6.260 9.254 1.00 13.15 C ATOM 620 CG LEU A 39 0.409 5.452 10.180 1.00 62.13 C ATOM 621 CD1 LEU A 39 -0.408 4.751 11.254 1.00 60.24 C ATOM 622 CD2 LEU A 39 1.221 4.443 9.381 1.00 70.23 C ATOM 0 H LEU A 39 -1.928 8.226 8.751 1.00 11.52 H new ATOM 0 HA LEU A 39 0.840 7.931 9.427 1.00 32.11 H new ATOM 0 HB2 LEU A 39 -1.431 6.468 9.783 1.00 13.15 H new ATOM 0 HB3 LEU A 39 -0.755 5.639 8.395 1.00 13.15 H new ATOM 0 HG LEU A 39 1.100 6.139 10.669 1.00 62.13 H new ATOM 0 HD11 LEU A 39 0.257 4.181 11.903 1.00 60.24 H new ATOM 0 HD12 LEU A 39 -0.944 5.493 11.845 1.00 60.24 H new ATOM 0 HD13 LEU A 39 -1.123 4.076 10.784 1.00 60.24 H new ATOM 0 HD21 LEU A 39 1.863 3.877 10.056 1.00 70.23 H new ATOM 0 HD22 LEU A 39 0.546 3.761 8.864 1.00 70.23 H new ATOM 0 HD23 LEU A 39 1.836 4.968 8.650 1.00 70.23 H new ATOM 634 N PHE A 40 -0.086 7.616 6.321 1.00 50.41 N ATOM 635 CA PHE A 40 0.396 7.461 4.953 1.00 31.55 C ATOM 636 C PHE A 40 0.195 8.746 4.156 1.00 74.20 C ATOM 637 O PHE A 40 -0.936 9.178 3.930 1.00 43.12 O ATOM 638 CB PHE A 40 -0.327 6.301 4.265 1.00 43.04 C ATOM 639 CG PHE A 40 -0.549 5.116 5.160 1.00 1.15 C ATOM 640 CD1 PHE A 40 -1.674 5.041 5.966 1.00 42.30 C ATOM 641 CD2 PHE A 40 0.367 4.077 5.197 1.00 72.02 C ATOM 642 CE1 PHE A 40 -1.880 3.952 6.792 1.00 51.52 C ATOM 643 CE2 PHE A 40 0.166 2.985 6.020 1.00 14.34 C ATOM 644 CZ PHE A 40 -0.960 2.923 6.818 1.00 20.41 C ATOM 0 H PHE A 40 -1.059 7.914 6.394 1.00 50.41 H new ATOM 0 HA PHE A 40 1.463 7.243 4.992 1.00 31.55 H new ATOM 0 HB2 PHE A 40 -1.290 6.652 3.895 1.00 43.04 H new ATOM 0 HB3 PHE A 40 0.252 5.987 3.397 1.00 43.04 H new ATOM 0 HD1 PHE A 40 -2.398 5.842 5.948 1.00 42.30 H new ATOM 0 HD2 PHE A 40 1.249 4.121 4.575 1.00 72.02 H new ATOM 0 HE1 PHE A 40 -2.760 3.906 7.417 1.00 51.52 H new ATOM 0 HE2 PHE A 40 0.888 2.182 6.039 1.00 14.34 H new ATOM 0 HZ PHE A 40 -1.120 2.071 7.461 1.00 20.41 H new ATOM 654 N ASP A 41 1.299 9.352 3.733 1.00 33.53 N ATOM 655 CA ASP A 41 1.245 10.587 2.961 1.00 50.14 C ATOM 656 C ASP A 41 0.322 10.435 1.756 1.00 72.22 C ATOM 657 O ASP A 41 -0.260 11.410 1.279 1.00 22.15 O ATOM 658 CB ASP A 41 2.647 10.985 2.497 1.00 1.43 C ATOM 659 CG ASP A 41 2.902 12.473 2.637 1.00 3.25 C ATOM 660 OD1 ASP A 41 1.946 13.257 2.468 1.00 14.40 O ATOM 661 OD2 ASP A 41 4.059 12.854 2.916 1.00 61.43 O ATOM 0 H ASP A 41 2.242 9.008 3.912 1.00 33.53 H new ATOM 0 HA ASP A 41 0.847 11.371 3.605 1.00 50.14 H new ATOM 0 HB2 ASP A 41 3.388 10.436 3.078 1.00 1.43 H new ATOM 0 HB3 ASP A 41 2.778 10.693 1.455 1.00 1.43 H new ATOM 666 N TYR A 42 0.193 9.206 1.267 1.00 0.33 N ATOM 667 CA TYR A 42 -0.657 8.927 0.116 1.00 65.12 C ATOM 668 C TYR A 42 -1.392 7.601 0.290 1.00 44.41 C ATOM 669 O TYR A 42 -0.773 6.559 0.506 1.00 33.22 O ATOM 670 CB TYR A 42 0.179 8.895 -1.165 1.00 60.01 C ATOM 671 CG TYR A 42 -0.628 8.590 -2.407 1.00 23.31 C ATOM 672 CD1 TYR A 42 -1.892 9.137 -2.590 1.00 4.41 C ATOM 673 CD2 TYR A 42 -0.127 7.753 -3.397 1.00 1.14 C ATOM 674 CE1 TYR A 42 -2.633 8.861 -3.722 1.00 62.24 C ATOM 675 CE2 TYR A 42 -0.860 7.472 -4.533 1.00 13.20 C ATOM 676 CZ TYR A 42 -2.113 8.028 -4.691 1.00 43.23 C ATOM 677 OH TYR A 42 -2.847 7.750 -5.821 1.00 70.32 O ATOM 0 H TYR A 42 0.666 8.388 1.650 1.00 0.33 H new ATOM 0 HA TYR A 42 -1.396 9.724 0.040 1.00 65.12 H new ATOM 0 HB2 TYR A 42 0.673 9.858 -1.290 1.00 60.01 H new ATOM 0 HB3 TYR A 42 0.963 8.146 -1.058 1.00 60.01 H new ATOM 0 HD1 TYR A 42 -2.302 9.790 -1.834 1.00 4.41 H new ATOM 0 HD2 TYR A 42 0.853 7.315 -3.276 1.00 1.14 H new ATOM 0 HE1 TYR A 42 -3.614 9.295 -3.848 1.00 62.24 H new ATOM 0 HE2 TYR A 42 -0.455 6.821 -5.293 1.00 13.20 H new ATOM 0 HH TYR A 42 -3.789 7.967 -5.661 1.00 70.32 H new ATOM 687 N PHE A 43 -2.716 7.650 0.193 1.00 31.24 N ATOM 688 CA PHE A 43 -3.538 6.454 0.340 1.00 25.13 C ATOM 689 C PHE A 43 -4.585 6.374 -0.766 1.00 52.43 C ATOM 690 O PHE A 43 -5.478 7.218 -0.852 1.00 43.42 O ATOM 691 CB PHE A 43 -4.223 6.445 1.708 1.00 23.14 C ATOM 692 CG PHE A 43 -4.338 5.074 2.312 1.00 3.42 C ATOM 693 CD1 PHE A 43 -4.328 3.946 1.509 1.00 71.24 C ATOM 694 CD2 PHE A 43 -4.456 4.915 3.683 1.00 31.15 C ATOM 695 CE1 PHE A 43 -4.433 2.683 2.061 1.00 14.20 C ATOM 696 CE2 PHE A 43 -4.561 3.655 4.242 1.00 73.14 C ATOM 697 CZ PHE A 43 -4.551 2.538 3.429 1.00 32.23 C ATOM 0 H PHE A 43 -3.243 8.505 0.013 1.00 31.24 H new ATOM 0 HA PHE A 43 -2.886 5.584 0.262 1.00 25.13 H new ATOM 0 HB2 PHE A 43 -3.665 7.088 2.389 1.00 23.14 H new ATOM 0 HB3 PHE A 43 -5.220 6.875 1.609 1.00 23.14 H new ATOM 0 HD1 PHE A 43 -4.237 4.054 0.438 1.00 71.24 H new ATOM 0 HD2 PHE A 43 -4.466 5.785 4.322 1.00 31.15 H new ATOM 0 HE1 PHE A 43 -4.423 1.811 1.423 1.00 14.20 H new ATOM 0 HE2 PHE A 43 -4.651 3.544 5.313 1.00 73.14 H new ATOM 0 HZ PHE A 43 -4.635 1.553 3.863 1.00 32.23 H new ATOM 707 N ILE A 44 -4.469 5.355 -1.611 1.00 1.14 N ATOM 708 CA ILE A 44 -5.406 5.165 -2.711 1.00 65.22 C ATOM 709 C ILE A 44 -5.806 3.699 -2.845 1.00 44.44 C ATOM 710 O ILE A 44 -4.967 2.837 -3.107 1.00 40.13 O ATOM 711 CB ILE A 44 -4.810 5.647 -4.047 1.00 41.01 C ATOM 712 CG1 ILE A 44 -5.661 5.152 -5.218 1.00 61.12 C ATOM 713 CG2 ILE A 44 -3.373 5.168 -4.190 1.00 1.32 C ATOM 714 CD1 ILE A 44 -5.813 6.169 -6.327 1.00 42.24 C ATOM 0 H ILE A 44 -3.735 4.649 -1.555 1.00 1.14 H new ATOM 0 HA ILE A 44 -6.289 5.761 -2.480 1.00 65.22 H new ATOM 0 HB ILE A 44 -4.811 6.737 -4.056 1.00 41.01 H new ATOM 0 HG12 ILE A 44 -5.212 4.246 -5.626 1.00 61.12 H new ATOM 0 HG13 ILE A 44 -6.649 4.879 -4.848 1.00 61.12 H new ATOM 0 HG21 ILE A 44 -2.966 5.517 -5.139 1.00 1.32 H new ATOM 0 HG22 ILE A 44 -2.774 5.565 -3.370 1.00 1.32 H new ATOM 0 HG23 ILE A 44 -3.348 4.079 -4.163 1.00 1.32 H new ATOM 0 HD11 ILE A 44 -6.428 5.750 -7.123 1.00 42.24 H new ATOM 0 HD12 ILE A 44 -6.290 7.067 -5.934 1.00 42.24 H new ATOM 0 HD13 ILE A 44 -4.830 6.424 -6.724 1.00 42.24 H new ATOM 726 N VAL A 45 -7.094 3.424 -2.666 1.00 3.53 N ATOM 727 CA VAL A 45 -7.607 2.064 -2.770 1.00 23.34 C ATOM 728 C VAL A 45 -8.674 1.960 -3.853 1.00 62.24 C ATOM 729 O VAL A 45 -9.515 2.846 -3.998 1.00 31.31 O ATOM 730 CB VAL A 45 -8.201 1.584 -1.432 1.00 1.21 C ATOM 731 CG1 VAL A 45 -8.252 0.065 -1.384 1.00 71.22 C ATOM 732 CG2 VAL A 45 -7.397 2.136 -0.264 1.00 71.21 C ATOM 0 H VAL A 45 -7.801 4.126 -2.448 1.00 3.53 H new ATOM 0 HA VAL A 45 -6.763 1.427 -3.034 1.00 23.34 H new ATOM 0 HB VAL A 45 -9.221 1.960 -1.352 1.00 1.21 H new ATOM 0 HG11 VAL A 45 -8.674 -0.255 -0.431 1.00 71.22 H new ATOM 0 HG12 VAL A 45 -8.874 -0.304 -2.199 1.00 71.22 H new ATOM 0 HG13 VAL A 45 -7.244 -0.336 -1.487 1.00 71.22 H new ATOM 0 HG21 VAL A 45 -7.830 1.787 0.673 1.00 71.21 H new ATOM 0 HG22 VAL A 45 -6.365 1.791 -0.337 1.00 71.21 H new ATOM 0 HG23 VAL A 45 -7.418 3.225 -0.290 1.00 71.21 H new ATOM 742 N GLY A 46 -8.633 0.870 -4.614 1.00 71.01 N ATOM 743 CA GLY A 46 -9.602 0.670 -5.676 1.00 32.44 C ATOM 744 C GLY A 46 -10.177 -0.733 -5.679 1.00 12.15 C ATOM 745 O GLY A 46 -9.456 -1.706 -5.463 1.00 21.21 O ATOM 0 H GLY A 46 -7.946 0.122 -4.514 1.00 71.01 H new ATOM 0 HA2 GLY A 46 -10.412 1.391 -5.565 1.00 32.44 H new ATOM 0 HA3 GLY A 46 -9.129 0.867 -6.638 1.00 32.44 H new ATOM 749 N GLU A 47 -11.480 -0.836 -5.922 1.00 30.31 N ATOM 750 CA GLU A 47 -12.151 -2.131 -5.949 1.00 51.40 C ATOM 751 C GLU A 47 -12.214 -2.681 -7.371 1.00 14.11 C ATOM 752 O GLU A 47 -12.557 -1.963 -8.310 1.00 35.52 O ATOM 753 CB GLU A 47 -13.564 -2.010 -5.374 1.00 2.32 C ATOM 754 CG GLU A 47 -14.375 -3.290 -5.479 1.00 32.14 C ATOM 755 CD GLU A 47 -15.175 -3.578 -4.223 1.00 23.52 C ATOM 756 OE1 GLU A 47 -14.634 -4.242 -3.314 1.00 30.31 O ATOM 757 OE2 GLU A 47 -16.342 -3.139 -4.149 1.00 64.43 O ATOM 0 H GLU A 47 -12.091 -0.040 -6.103 1.00 30.31 H new ATOM 0 HA GLU A 47 -11.575 -2.823 -5.335 1.00 51.40 H new ATOM 0 HB2 GLU A 47 -13.497 -1.717 -4.326 1.00 2.32 H new ATOM 0 HB3 GLU A 47 -14.092 -1.211 -5.895 1.00 2.32 H new ATOM 0 HG2 GLU A 47 -15.054 -3.217 -6.329 1.00 32.14 H new ATOM 0 HG3 GLU A 47 -13.704 -4.126 -5.678 1.00 32.14 H new ATOM 764 N GLU A 48 -11.880 -3.959 -7.520 1.00 52.00 N ATOM 765 CA GLU A 48 -11.898 -4.605 -8.827 1.00 43.12 C ATOM 766 C GLU A 48 -12.824 -5.818 -8.822 1.00 41.34 C ATOM 767 O GLU A 48 -12.505 -6.854 -8.242 1.00 24.14 O ATOM 768 CB GLU A 48 -10.484 -5.031 -9.229 1.00 51.34 C ATOM 769 CG GLU A 48 -10.409 -5.666 -10.607 1.00 63.15 C ATOM 770 CD GLU A 48 -10.373 -7.181 -10.550 1.00 45.13 C ATOM 771 OE1 GLU A 48 -9.588 -7.726 -9.746 1.00 72.32 O ATOM 772 OE2 GLU A 48 -11.129 -7.821 -11.310 1.00 55.11 O ATOM 0 H GLU A 48 -11.594 -4.567 -6.752 1.00 52.00 H new ATOM 0 HA GLU A 48 -12.274 -3.886 -9.554 1.00 43.12 H new ATOM 0 HB2 GLU A 48 -9.830 -4.159 -9.204 1.00 51.34 H new ATOM 0 HB3 GLU A 48 -10.103 -5.737 -8.491 1.00 51.34 H new ATOM 0 HG2 GLU A 48 -11.269 -5.349 -11.196 1.00 63.15 H new ATOM 0 HG3 GLU A 48 -9.519 -5.304 -11.122 1.00 63.15 H new ATOM 779 N GLY A 49 -13.974 -5.679 -9.474 1.00 75.15 N ATOM 780 CA GLY A 49 -14.930 -6.770 -9.533 1.00 11.32 C ATOM 781 C GLY A 49 -16.250 -6.352 -10.150 1.00 43.35 C ATOM 782 O GLY A 49 -17.239 -6.160 -9.445 1.00 75.25 O ATOM 0 H GLY A 49 -14.261 -4.831 -9.962 1.00 75.15 H new ATOM 0 HA2 GLY A 49 -14.505 -7.590 -10.112 1.00 11.32 H new ATOM 0 HA3 GLY A 49 -15.107 -7.149 -8.526 1.00 11.32 H new ATOM 786 N ASN A 50 -16.264 -6.208 -11.472 1.00 21.42 N ATOM 787 CA ASN A 50 -17.472 -5.808 -12.184 1.00 42.12 C ATOM 788 C ASN A 50 -17.886 -6.874 -13.194 1.00 53.31 C ATOM 789 O ASN A 50 -18.444 -6.562 -14.246 1.00 32.13 O ATOM 790 CB ASN A 50 -17.249 -4.473 -12.897 1.00 52.34 C ATOM 791 CG ASN A 50 -18.362 -3.479 -12.624 1.00 43.14 C ATOM 792 OD1 ASN A 50 -18.954 -2.924 -13.550 1.00 13.12 O ATOM 793 ND2 ASN A 50 -18.650 -3.250 -11.349 1.00 12.25 N ATOM 0 H ASN A 50 -15.453 -6.362 -12.071 1.00 21.42 H new ATOM 0 HA ASN A 50 -18.274 -5.694 -11.454 1.00 42.12 H new ATOM 0 HB2 ASN A 50 -16.298 -4.047 -12.576 1.00 52.34 H new ATOM 0 HB3 ASN A 50 -17.175 -4.646 -13.971 1.00 52.34 H new ATOM 0 HD21 ASN A 50 -19.389 -2.591 -11.103 1.00 12.25 H new ATOM 0 HD22 ASN A 50 -18.133 -3.733 -10.615 1.00 12.25 H new ATOM 800 N GLU A 51 -17.610 -8.132 -12.866 1.00 5.12 N ATOM 801 CA GLU A 51 -17.954 -9.243 -13.745 1.00 22.33 C ATOM 802 C GLU A 51 -18.746 -10.308 -12.991 1.00 4.01 C ATOM 803 O GLU A 51 -18.232 -10.941 -12.069 1.00 63.14 O ATOM 804 CB GLU A 51 -16.688 -9.861 -14.342 1.00 62.11 C ATOM 805 CG GLU A 51 -16.783 -10.118 -15.837 1.00 3.23 C ATOM 806 CD GLU A 51 -15.591 -10.887 -16.373 1.00 72.13 C ATOM 807 OE1 GLU A 51 -14.498 -10.778 -15.781 1.00 3.34 O ATOM 808 OE2 GLU A 51 -15.753 -11.599 -17.387 1.00 32.25 O ATOM 0 H GLU A 51 -17.149 -8.407 -11.998 1.00 5.12 H new ATOM 0 HA GLU A 51 -18.576 -8.855 -14.552 1.00 22.33 H new ATOM 0 HB2 GLU A 51 -15.844 -9.198 -14.149 1.00 62.11 H new ATOM 0 HB3 GLU A 51 -16.478 -10.802 -13.833 1.00 62.11 H new ATOM 0 HG2 GLU A 51 -17.695 -10.675 -16.049 1.00 3.23 H new ATOM 0 HG3 GLU A 51 -16.862 -9.166 -16.361 1.00 3.23 H new ATOM 815 N GLU A 52 -19.999 -10.498 -13.390 1.00 33.00 N ATOM 816 CA GLU A 52 -20.862 -11.485 -12.751 1.00 53.42 C ATOM 817 C GLU A 52 -20.235 -12.874 -12.808 1.00 23.42 C ATOM 818 O GLU A 52 -19.517 -13.205 -13.750 1.00 62.44 O ATOM 819 CB GLU A 52 -22.236 -11.506 -13.425 1.00 11.42 C ATOM 820 CG GLU A 52 -23.371 -11.870 -12.482 1.00 43.11 C ATOM 821 CD GLU A 52 -24.684 -11.218 -12.870 1.00 5.41 C ATOM 822 OE1 GLU A 52 -24.895 -10.981 -14.077 1.00 52.05 O ATOM 823 OE2 GLU A 52 -25.499 -10.944 -11.965 1.00 35.13 O ATOM 0 H GLU A 52 -20.439 -9.982 -14.152 1.00 33.00 H new ATOM 0 HA GLU A 52 -20.982 -11.202 -11.705 1.00 53.42 H new ATOM 0 HB2 GLU A 52 -22.434 -10.525 -13.857 1.00 11.42 H new ATOM 0 HB3 GLU A 52 -22.216 -12.219 -14.249 1.00 11.42 H new ATOM 0 HG2 GLU A 52 -23.496 -12.953 -12.471 1.00 43.11 H new ATOM 0 HG3 GLU A 52 -23.106 -11.570 -11.468 1.00 43.11 H new ATOM 830 N GLY A 53 -20.511 -13.684 -11.790 1.00 30.21 N ATOM 831 CA GLY A 53 -19.966 -15.028 -11.742 1.00 63.31 C ATOM 832 C GLY A 53 -18.663 -15.098 -10.971 1.00 23.21 C ATOM 833 O GLY A 53 -18.268 -16.166 -10.502 1.00 2.32 O ATOM 0 H GLY A 53 -21.102 -13.433 -10.998 1.00 30.21 H new ATOM 0 HA2 GLY A 53 -20.694 -15.696 -11.281 1.00 63.31 H new ATOM 0 HA3 GLY A 53 -19.803 -15.387 -12.758 1.00 63.31 H new ATOM 837 N ARG A 54 -17.992 -13.958 -10.840 1.00 72.14 N ATOM 838 CA ARG A 54 -16.724 -13.895 -10.123 1.00 74.23 C ATOM 839 C ARG A 54 -16.828 -12.968 -8.916 1.00 34.12 C ATOM 840 O ARG A 54 -17.588 -11.999 -8.926 1.00 75.21 O ATOM 841 CB ARG A 54 -15.610 -13.414 -11.055 1.00 15.12 C ATOM 842 CG ARG A 54 -14.284 -13.185 -10.350 1.00 5.11 C ATOM 843 CD ARG A 54 -13.169 -12.889 -11.342 1.00 35.42 C ATOM 844 NE ARG A 54 -11.871 -12.762 -10.685 1.00 73.10 N ATOM 845 CZ ARG A 54 -10.730 -12.582 -11.341 1.00 72.40 C ATOM 846 NH1 ARG A 54 -10.727 -12.509 -12.665 1.00 13.22 N ATOM 847 NH2 ARG A 54 -9.589 -12.476 -10.673 1.00 0.54 N ATOM 0 H ARG A 54 -18.306 -13.065 -11.221 1.00 72.14 H new ATOM 0 HA ARG A 54 -16.485 -14.898 -9.770 1.00 74.23 H new ATOM 0 HB2 ARG A 54 -15.468 -14.149 -11.848 1.00 15.12 H new ATOM 0 HB3 ARG A 54 -15.923 -12.486 -11.533 1.00 15.12 H new ATOM 0 HG2 ARG A 54 -14.381 -12.354 -9.651 1.00 5.11 H new ATOM 0 HG3 ARG A 54 -14.026 -14.066 -9.763 1.00 5.11 H new ATOM 0 HD2 ARG A 54 -13.123 -13.686 -12.084 1.00 35.42 H new ATOM 0 HD3 ARG A 54 -13.396 -11.967 -11.878 1.00 35.42 H new ATOM 0 HE ARG A 54 -11.839 -12.814 -9.667 1.00 73.10 H new ATOM 0 HH11 ARG A 54 -11.602 -12.591 -13.182 1.00 13.22 H new ATOM 0 HH12 ARG A 54 -9.849 -12.371 -13.166 1.00 13.22 H new ATOM 0 HH21 ARG A 54 -9.587 -12.533 -9.655 1.00 0.54 H new ATOM 0 HH22 ARG A 54 -8.713 -12.338 -11.178 1.00 0.54 H new ATOM 861 N THR A 55 -16.059 -13.272 -7.875 1.00 33.03 N ATOM 862 CA THR A 55 -16.066 -12.468 -6.659 1.00 63.12 C ATOM 863 C THR A 55 -15.196 -11.226 -6.817 1.00 25.44 C ATOM 864 O THR A 55 -14.311 -11.163 -7.671 1.00 10.03 O ATOM 865 CB THR A 55 -15.569 -13.279 -5.447 1.00 15.41 C ATOM 866 OG1 THR A 55 -14.881 -14.453 -5.891 1.00 75.14 O ATOM 867 CG2 THR A 55 -16.731 -13.675 -4.548 1.00 54.35 C ATOM 0 H THR A 55 -15.423 -14.069 -7.850 1.00 33.03 H new ATOM 0 HA THR A 55 -17.099 -12.165 -6.485 1.00 63.12 H new ATOM 0 HB THR A 55 -14.884 -12.653 -4.875 1.00 15.41 H new ATOM 0 HG1 THR A 55 -14.567 -14.962 -5.114 1.00 75.14 H new ATOM 0 HG21 THR A 55 -16.356 -14.247 -3.699 1.00 54.35 H new ATOM 0 HG22 THR A 55 -17.234 -12.778 -4.187 1.00 54.35 H new ATOM 0 HG23 THR A 55 -17.437 -14.285 -5.113 1.00 54.35 H new ATOM 875 N PRO A 56 -15.449 -10.214 -5.974 1.00 33.32 N ATOM 876 CA PRO A 56 -14.698 -8.956 -5.999 1.00 51.33 C ATOM 877 C PRO A 56 -13.262 -9.128 -5.516 1.00 12.42 C ATOM 878 O PRO A 56 -12.926 -10.128 -4.882 1.00 24.40 O ATOM 879 CB PRO A 56 -15.481 -8.056 -5.040 1.00 52.22 C ATOM 880 CG PRO A 56 -16.172 -8.998 -4.115 1.00 45.23 C ATOM 881 CD PRO A 56 -16.489 -10.221 -4.931 1.00 4.23 C ATOM 0 HA PRO A 56 -14.612 -8.553 -7.008 1.00 51.33 H new ATOM 0 HB2 PRO A 56 -14.817 -7.384 -4.497 1.00 52.22 H new ATOM 0 HB3 PRO A 56 -16.196 -7.433 -5.577 1.00 52.22 H new ATOM 0 HG2 PRO A 56 -15.536 -9.249 -3.266 1.00 45.23 H new ATOM 0 HG3 PRO A 56 -17.081 -8.552 -3.711 1.00 45.23 H new ATOM 0 HD2 PRO A 56 -16.447 -11.128 -4.328 1.00 4.23 H new ATOM 0 HD3 PRO A 56 -17.489 -10.169 -5.361 1.00 4.23 H new ATOM 889 N HIS A 57 -12.419 -8.145 -5.818 1.00 71.53 N ATOM 890 CA HIS A 57 -11.019 -8.188 -5.413 1.00 64.21 C ATOM 891 C HIS A 57 -10.542 -6.811 -4.960 1.00 63.54 C ATOM 892 O HIS A 57 -10.877 -5.795 -5.571 1.00 22.24 O ATOM 893 CB HIS A 57 -10.147 -8.689 -6.565 1.00 74.24 C ATOM 894 CG HIS A 57 -8.678 -8.587 -6.293 1.00 71.45 C ATOM 895 ND1 HIS A 57 -7.928 -9.638 -5.810 1.00 24.15 N ATOM 896 CD2 HIS A 57 -7.820 -7.551 -6.442 1.00 61.22 C ATOM 897 CE1 HIS A 57 -6.672 -9.252 -5.671 1.00 21.23 C ATOM 898 NE2 HIS A 57 -6.580 -7.990 -6.048 1.00 43.13 N ATOM 0 H HIS A 57 -12.681 -7.310 -6.341 1.00 71.53 H new ATOM 0 HA HIS A 57 -10.931 -8.878 -4.574 1.00 64.21 H new ATOM 0 HB2 HIS A 57 -10.398 -9.729 -6.774 1.00 74.24 H new ATOM 0 HB3 HIS A 57 -10.382 -8.118 -7.463 1.00 74.24 H new ATOM 0 HD1 HIS A 57 -8.287 -10.568 -5.594 1.00 24.15 H new ATOM 0 HD2 HIS A 57 -8.065 -6.563 -6.803 1.00 61.22 H new ATOM 0 HE1 HIS A 57 -5.859 -9.865 -5.310 1.00 21.23 H new ATOM 906 N LEU A 58 -9.759 -6.785 -3.887 1.00 71.23 N ATOM 907 CA LEU A 58 -9.236 -5.533 -3.352 1.00 54.21 C ATOM 908 C LEU A 58 -7.828 -5.264 -3.872 1.00 21.10 C ATOM 909 O LEU A 58 -6.982 -6.158 -3.890 1.00 74.23 O ATOM 910 CB LEU A 58 -9.229 -5.573 -1.823 1.00 0.41 C ATOM 911 CG LEU A 58 -10.105 -4.535 -1.120 1.00 44.42 C ATOM 912 CD1 LEU A 58 -9.907 -4.602 0.386 1.00 12.42 C ATOM 913 CD2 LEU A 58 -9.796 -3.138 -1.639 1.00 11.42 C ATOM 0 H LEU A 58 -9.472 -7.617 -3.371 1.00 71.23 H new ATOM 0 HA LEU A 58 -9.886 -4.724 -3.685 1.00 54.21 H new ATOM 0 HB2 LEU A 58 -9.549 -6.565 -1.504 1.00 0.41 H new ATOM 0 HB3 LEU A 58 -8.202 -5.444 -1.481 1.00 0.41 H new ATOM 0 HG LEU A 58 -11.149 -4.760 -1.339 1.00 44.42 H new ATOM 0 HD11 LEU A 58 -10.538 -3.856 0.869 1.00 12.42 H new ATOM 0 HD12 LEU A 58 -10.178 -5.595 0.745 1.00 12.42 H new ATOM 0 HD13 LEU A 58 -8.862 -4.403 0.625 1.00 12.42 H new ATOM 0 HD21 LEU A 58 -10.428 -2.412 -1.128 1.00 11.42 H new ATOM 0 HD22 LEU A 58 -8.748 -2.903 -1.450 1.00 11.42 H new ATOM 0 HD23 LEU A 58 -9.990 -3.097 -2.711 1.00 11.42 H new ATOM 925 N GLN A 59 -7.583 -4.027 -4.291 1.00 54.14 N ATOM 926 CA GLN A 59 -6.276 -3.641 -4.810 1.00 55.20 C ATOM 927 C GLN A 59 -6.039 -2.145 -4.628 1.00 25.44 C ATOM 928 O GLN A 59 -6.687 -1.321 -5.270 1.00 12.43 O ATOM 929 CB GLN A 59 -6.162 -4.011 -6.290 1.00 0.32 C ATOM 930 CG GLN A 59 -5.059 -3.262 -7.020 1.00 61.15 C ATOM 931 CD GLN A 59 -3.693 -3.487 -6.403 1.00 62.30 C ATOM 932 OE1 GLN A 59 -3.265 -2.739 -5.524 1.00 41.41 O ATOM 933 NE2 GLN A 59 -3.000 -4.523 -6.861 1.00 24.44 N ATOM 0 H GLN A 59 -8.272 -3.275 -4.281 1.00 54.14 H new ATOM 0 HA GLN A 59 -5.515 -4.182 -4.248 1.00 55.20 H new ATOM 0 HB2 GLN A 59 -5.981 -5.082 -6.375 1.00 0.32 H new ATOM 0 HB3 GLN A 59 -7.114 -3.809 -6.781 1.00 0.32 H new ATOM 0 HG2 GLN A 59 -5.039 -3.579 -8.063 1.00 61.15 H new ATOM 0 HG3 GLN A 59 -5.284 -2.196 -7.015 1.00 61.15 H new ATOM 0 HE21 GLN A 59 -3.393 -5.117 -7.591 1.00 24.44 H new ATOM 0 HE22 GLN A 59 -2.074 -4.725 -6.483 1.00 24.44 H new ATOM 942 N GLY A 60 -5.103 -1.803 -3.747 1.00 13.05 N ATOM 943 CA GLY A 60 -4.797 -0.407 -3.495 1.00 43.00 C ATOM 944 C GLY A 60 -3.347 -0.192 -3.107 1.00 71.45 C ATOM 945 O GLY A 60 -2.641 -1.142 -2.767 1.00 0.34 O ATOM 0 H GLY A 60 -4.552 -2.468 -3.204 1.00 13.05 H new ATOM 0 HA2 GLY A 60 -5.022 0.178 -4.387 1.00 43.00 H new ATOM 0 HA3 GLY A 60 -5.442 -0.035 -2.699 1.00 43.00 H new ATOM 949 N PHE A 61 -2.901 1.058 -3.161 1.00 2.11 N ATOM 950 CA PHE A 61 -1.525 1.394 -2.815 1.00 44.22 C ATOM 951 C PHE A 61 -1.483 2.440 -1.705 1.00 44.41 C ATOM 952 O PHE A 61 -2.282 3.376 -1.689 1.00 44.11 O ATOM 953 CB PHE A 61 -0.779 1.911 -4.047 1.00 45.00 C ATOM 954 CG PHE A 61 0.538 2.557 -3.723 1.00 64.42 C ATOM 955 CD1 PHE A 61 1.497 1.876 -2.990 1.00 31.30 C ATOM 956 CD2 PHE A 61 0.818 3.844 -4.152 1.00 61.13 C ATOM 957 CE1 PHE A 61 2.709 2.468 -2.690 1.00 22.20 C ATOM 958 CE2 PHE A 61 2.029 4.441 -3.856 1.00 11.13 C ATOM 959 CZ PHE A 61 2.976 3.751 -3.124 1.00 40.54 C ATOM 0 H PHE A 61 -3.472 1.855 -3.441 1.00 2.11 H new ATOM 0 HA PHE A 61 -1.036 0.489 -2.456 1.00 44.22 H new ATOM 0 HB2 PHE A 61 -0.609 1.082 -4.733 1.00 45.00 H new ATOM 0 HB3 PHE A 61 -1.410 2.631 -4.568 1.00 45.00 H new ATOM 0 HD1 PHE A 61 1.295 0.871 -2.649 1.00 31.30 H new ATOM 0 HD2 PHE A 61 0.081 4.388 -4.725 1.00 61.13 H new ATOM 0 HE1 PHE A 61 3.447 1.927 -2.116 1.00 22.20 H new ATOM 0 HE2 PHE A 61 2.235 5.445 -4.196 1.00 11.13 H new ATOM 0 HZ PHE A 61 3.923 4.214 -2.892 1.00 40.54 H new ATOM 969 N ALA A 62 -0.545 2.274 -0.778 1.00 61.43 N ATOM 970 CA ALA A 62 -0.397 3.203 0.335 1.00 41.23 C ATOM 971 C ALA A 62 1.069 3.556 0.564 1.00 53.53 C ATOM 972 O ALA A 62 1.911 2.675 0.727 1.00 61.12 O ATOM 973 CB ALA A 62 -1.004 2.613 1.599 1.00 4.32 C ATOM 0 H ALA A 62 0.124 1.504 -0.776 1.00 61.43 H new ATOM 0 HA ALA A 62 -0.929 4.120 0.084 1.00 41.23 H new ATOM 0 HB1 ALA A 62 -0.886 3.318 2.422 1.00 4.32 H new ATOM 0 HB2 ALA A 62 -2.064 2.418 1.437 1.00 4.32 H new ATOM 0 HB3 ALA A 62 -0.497 1.680 1.845 1.00 4.32 H new ATOM 979 N ASN A 63 1.366 4.852 0.574 1.00 33.11 N ATOM 980 CA ASN A 63 2.731 5.321 0.782 1.00 53.51 C ATOM 981 C ASN A 63 2.998 5.579 2.262 1.00 52.43 C ATOM 982 O ASN A 63 2.414 6.483 2.861 1.00 70.22 O ATOM 983 CB ASN A 63 2.981 6.598 -0.023 1.00 42.21 C ATOM 984 CG ASN A 63 4.430 7.043 0.034 1.00 71.22 C ATOM 985 OD1 ASN A 63 5.025 7.120 1.109 1.00 43.14 O ATOM 986 ND2 ASN A 63 5.004 7.338 -1.127 1.00 21.14 N ATOM 0 H ASN A 63 0.680 5.595 0.441 1.00 33.11 H new ATOM 0 HA ASN A 63 3.413 4.543 0.438 1.00 53.51 H new ATOM 0 HB2 ASN A 63 2.696 6.431 -1.062 1.00 42.21 H new ATOM 0 HB3 ASN A 63 2.344 7.396 0.359 1.00 42.21 H new ATOM 0 HD21 ASN A 63 5.977 7.643 -1.152 1.00 21.14 H new ATOM 0 HD22 ASN A 63 4.472 7.260 -1.994 1.00 21.14 H new ATOM 993 N PHE A 64 3.884 4.780 2.845 1.00 25.14 N ATOM 994 CA PHE A 64 4.229 4.921 4.255 1.00 23.13 C ATOM 995 C PHE A 64 5.041 6.191 4.492 1.00 23.02 C ATOM 996 O PHE A 64 6.066 6.415 3.848 1.00 1.40 O ATOM 997 CB PHE A 64 5.019 3.701 4.734 1.00 71.34 C ATOM 998 CG PHE A 64 4.250 2.822 5.678 1.00 30.22 C ATOM 999 CD1 PHE A 64 4.008 3.227 6.981 1.00 54.52 C ATOM 1000 CD2 PHE A 64 3.769 1.590 5.264 1.00 41.34 C ATOM 1001 CE1 PHE A 64 3.301 2.420 7.852 1.00 1.31 C ATOM 1002 CE2 PHE A 64 3.062 0.779 6.131 1.00 75.15 C ATOM 1003 CZ PHE A 64 2.826 1.195 7.426 1.00 4.12 C ATOM 0 H PHE A 64 4.377 4.028 2.363 1.00 25.14 H new ATOM 0 HA PHE A 64 3.302 4.991 4.824 1.00 23.13 H new ATOM 0 HB2 PHE A 64 5.323 3.112 3.868 1.00 71.34 H new ATOM 0 HB3 PHE A 64 5.931 4.039 5.226 1.00 71.34 H new ATOM 0 HD1 PHE A 64 4.376 4.184 7.320 1.00 54.52 H new ATOM 0 HD2 PHE A 64 3.949 1.260 4.252 1.00 41.34 H new ATOM 0 HE1 PHE A 64 3.120 2.747 8.865 1.00 1.31 H new ATOM 0 HE2 PHE A 64 2.694 -0.180 5.796 1.00 75.15 H new ATOM 0 HZ PHE A 64 2.271 0.564 8.105 1.00 4.12 H new ATOM 1013 N VAL A 65 4.575 7.020 5.421 1.00 20.42 N ATOM 1014 CA VAL A 65 5.257 8.267 5.745 1.00 51.14 C ATOM 1015 C VAL A 65 6.671 8.005 6.250 1.00 1.33 C ATOM 1016 O VAL A 65 7.534 8.882 6.197 1.00 60.22 O ATOM 1017 CB VAL A 65 4.484 9.070 6.808 1.00 52.04 C ATOM 1018 CG1 VAL A 65 5.263 10.314 7.208 1.00 35.35 C ATOM 1019 CG2 VAL A 65 3.101 9.440 6.294 1.00 74.32 C ATOM 0 H VAL A 65 3.727 6.850 5.963 1.00 20.42 H new ATOM 0 HA VAL A 65 5.305 8.849 4.825 1.00 51.14 H new ATOM 0 HB VAL A 65 4.363 8.446 7.693 1.00 52.04 H new ATOM 0 HG11 VAL A 65 4.702 10.869 7.960 1.00 35.35 H new ATOM 0 HG12 VAL A 65 6.229 10.022 7.619 1.00 35.35 H new ATOM 0 HG13 VAL A 65 5.417 10.944 6.332 1.00 35.35 H new ATOM 0 HG21 VAL A 65 2.569 10.007 7.058 1.00 74.32 H new ATOM 0 HG22 VAL A 65 3.198 10.046 5.393 1.00 74.32 H new ATOM 0 HG23 VAL A 65 2.544 8.532 6.062 1.00 74.32 H new ATOM 1029 N LYS A 66 6.903 6.793 6.741 1.00 31.43 N ATOM 1030 CA LYS A 66 8.213 6.412 7.256 1.00 41.43 C ATOM 1031 C LYS A 66 8.704 5.127 6.598 1.00 60.13 C ATOM 1032 O LYS A 66 8.055 4.590 5.699 1.00 24.03 O ATOM 1033 CB LYS A 66 8.155 6.230 8.774 1.00 15.51 C ATOM 1034 CG LYS A 66 8.287 7.531 9.548 1.00 33.31 C ATOM 1035 CD LYS A 66 6.946 8.231 9.695 1.00 22.22 C ATOM 1036 CE LYS A 66 6.101 7.593 10.787 1.00 21.12 C ATOM 1037 NZ LYS A 66 5.882 8.520 11.932 1.00 62.11 N ATOM 0 H LYS A 66 6.200 6.056 6.793 1.00 31.43 H new ATOM 0 HA LYS A 66 8.915 7.212 7.019 1.00 41.43 H new ATOM 0 HB2 LYS A 66 7.211 5.754 9.039 1.00 15.51 H new ATOM 0 HB3 LYS A 66 8.951 5.552 9.081 1.00 15.51 H new ATOM 0 HG2 LYS A 66 8.702 7.328 10.535 1.00 33.31 H new ATOM 0 HG3 LYS A 66 8.988 8.190 9.037 1.00 33.31 H new ATOM 0 HD2 LYS A 66 7.107 9.284 9.927 1.00 22.22 H new ATOM 0 HD3 LYS A 66 6.408 8.192 8.748 1.00 22.22 H new ATOM 0 HE2 LYS A 66 5.138 7.294 10.373 1.00 21.12 H new ATOM 0 HE3 LYS A 66 6.591 6.686 11.142 1.00 21.12 H new ATOM 0 HZ1 LYS A 66 5.302 8.048 12.655 1.00 62.11 H new ATOM 0 HZ2 LYS A 66 6.799 8.786 12.344 1.00 62.11 H new ATOM 0 HZ3 LYS A 66 5.392 9.374 11.598 1.00 62.11 H new ATOM 1051 N LYS A 67 9.853 4.637 7.051 1.00 33.32 N ATOM 1052 CA LYS A 67 10.430 3.412 6.509 1.00 11.41 C ATOM 1053 C LYS A 67 9.921 2.190 7.266 1.00 71.54 C ATOM 1054 O LYS A 67 10.085 2.089 8.481 1.00 34.21 O ATOM 1055 CB LYS A 67 11.958 3.470 6.580 1.00 74.43 C ATOM 1056 CG LYS A 67 12.626 3.577 5.220 1.00 53.31 C ATOM 1057 CD LYS A 67 12.330 4.913 4.558 1.00 61.54 C ATOM 1058 CE LYS A 67 13.601 5.720 4.340 1.00 55.10 C ATOM 1059 NZ LYS A 67 13.405 7.160 4.665 1.00 0.12 N ATOM 0 H LYS A 67 10.404 5.070 7.793 1.00 33.32 H new ATOM 0 HA LYS A 67 10.124 3.325 5.467 1.00 11.41 H new ATOM 0 HB2 LYS A 67 12.253 4.325 7.189 1.00 74.43 H new ATOM 0 HB3 LYS A 67 12.324 2.577 7.086 1.00 74.43 H new ATOM 0 HG2 LYS A 67 13.703 3.456 5.332 1.00 53.31 H new ATOM 0 HG3 LYS A 67 12.279 2.767 4.578 1.00 53.31 H new ATOM 0 HD2 LYS A 67 11.836 4.745 3.601 1.00 61.54 H new ATOM 0 HD3 LYS A 67 11.638 5.482 5.178 1.00 61.54 H new ATOM 0 HE2 LYS A 67 14.400 5.313 4.959 1.00 55.10 H new ATOM 0 HE3 LYS A 67 13.920 5.622 3.302 1.00 55.10 H new ATOM 0 HZ1 LYS A 67 14.293 7.676 4.504 1.00 0.12 H new ATOM 0 HZ2 LYS A 67 12.660 7.555 4.057 1.00 0.12 H new ATOM 0 HZ3 LYS A 67 13.125 7.256 5.662 1.00 0.12 H new ATOM 1073 N GLN A 68 9.305 1.263 6.538 1.00 42.20 N ATOM 1074 CA GLN A 68 8.774 0.047 7.142 1.00 54.03 C ATOM 1075 C GLN A 68 9.148 -1.179 6.316 1.00 63.21 C ATOM 1076 O GLN A 68 9.344 -1.089 5.103 1.00 34.13 O ATOM 1077 CB GLN A 68 7.253 0.141 7.275 1.00 12.43 C ATOM 1078 CG GLN A 68 6.775 1.456 7.870 1.00 53.20 C ATOM 1079 CD GLN A 68 7.377 1.733 9.233 1.00 0.33 C ATOM 1080 OE1 GLN A 68 7.823 2.847 9.513 1.00 32.52 O ATOM 1081 NE2 GLN A 68 7.393 0.720 10.091 1.00 64.53 N ATOM 0 H GLN A 68 9.162 1.331 5.530 1.00 42.20 H new ATOM 0 HA GLN A 68 9.213 -0.057 8.134 1.00 54.03 H new ATOM 0 HB2 GLN A 68 6.802 0.011 6.291 1.00 12.43 H new ATOM 0 HB3 GLN A 68 6.900 -0.680 7.898 1.00 12.43 H new ATOM 0 HG2 GLN A 68 7.030 2.271 7.192 1.00 53.20 H new ATOM 0 HG3 GLN A 68 5.688 1.439 7.954 1.00 53.20 H new ATOM 0 HE21 GLN A 68 7.013 -0.186 9.817 1.00 64.53 H new ATOM 0 HE22 GLN A 68 7.785 0.848 11.024 1.00 64.53 H new ATOM 1090 N THR A 69 9.248 -2.326 6.980 1.00 34.44 N ATOM 1091 CA THR A 69 9.600 -3.571 6.309 1.00 44.23 C ATOM 1092 C THR A 69 8.354 -4.330 5.868 1.00 42.14 C ATOM 1093 O THR A 69 7.235 -3.977 6.241 1.00 43.44 O ATOM 1094 CB THR A 69 10.446 -4.481 7.219 1.00 4.53 C ATOM 1095 OG1 THR A 69 9.608 -5.118 8.190 1.00 63.03 O ATOM 1096 CG2 THR A 69 11.531 -3.681 7.925 1.00 21.24 C ATOM 0 H THR A 69 9.090 -2.418 7.983 1.00 34.44 H new ATOM 0 HA THR A 69 10.187 -3.301 5.431 1.00 44.23 H new ATOM 0 HB THR A 69 10.922 -5.239 6.597 1.00 4.53 H new ATOM 0 HG1 THR A 69 10.153 -5.696 8.764 1.00 63.03 H new ATOM 0 HG21 THR A 69 12.116 -4.344 8.562 1.00 21.24 H new ATOM 0 HG22 THR A 69 12.184 -3.221 7.184 1.00 21.24 H new ATOM 0 HG23 THR A 69 11.071 -2.904 8.536 1.00 21.24 H new ATOM 1104 N PHE A 70 8.554 -5.375 5.072 1.00 65.21 N ATOM 1105 CA PHE A 70 7.446 -6.185 4.580 1.00 50.24 C ATOM 1106 C PHE A 70 6.664 -6.798 5.738 1.00 51.24 C ATOM 1107 O PHE A 70 5.450 -6.627 5.840 1.00 70.01 O ATOM 1108 CB PHE A 70 7.964 -7.290 3.657 1.00 22.35 C ATOM 1109 CG PHE A 70 7.009 -8.439 3.503 1.00 31.13 C ATOM 1110 CD1 PHE A 70 5.905 -8.333 2.672 1.00 3.14 C ATOM 1111 CD2 PHE A 70 7.214 -9.625 4.190 1.00 64.13 C ATOM 1112 CE1 PHE A 70 5.024 -9.388 2.528 1.00 64.31 C ATOM 1113 CE2 PHE A 70 6.337 -10.684 4.049 1.00 43.21 C ATOM 1114 CZ PHE A 70 5.240 -10.565 3.218 1.00 43.10 C ATOM 0 H PHE A 70 9.474 -5.681 4.754 1.00 65.21 H new ATOM 0 HA PHE A 70 6.776 -5.535 4.016 1.00 50.24 H new ATOM 0 HB2 PHE A 70 8.170 -6.865 2.675 1.00 22.35 H new ATOM 0 HB3 PHE A 70 8.910 -7.664 4.047 1.00 22.35 H new ATOM 0 HD1 PHE A 70 5.731 -7.415 2.130 1.00 3.14 H new ATOM 0 HD2 PHE A 70 8.069 -9.723 4.843 1.00 64.13 H new ATOM 0 HE1 PHE A 70 4.168 -9.292 1.877 1.00 64.31 H new ATOM 0 HE2 PHE A 70 6.509 -11.604 4.588 1.00 43.21 H new ATOM 0 HZ PHE A 70 4.553 -11.391 3.108 1.00 43.10 H new ATOM 1124 N ASN A 71 7.370 -7.513 6.607 1.00 32.25 N ATOM 1125 CA ASN A 71 6.742 -8.153 7.758 1.00 24.20 C ATOM 1126 C ASN A 71 6.204 -7.111 8.734 1.00 72.25 C ATOM 1127 O ASN A 71 5.162 -7.310 9.360 1.00 44.15 O ATOM 1128 CB ASN A 71 7.744 -9.065 8.470 1.00 41.22 C ATOM 1129 CG ASN A 71 7.063 -10.109 9.333 1.00 62.51 C ATOM 1130 OD1 ASN A 71 6.500 -9.794 10.381 1.00 51.41 O ATOM 1131 ND2 ASN A 71 7.113 -11.362 8.895 1.00 74.11 N ATOM 0 H ASN A 71 8.376 -7.664 6.537 1.00 32.25 H new ATOM 0 HA ASN A 71 5.906 -8.753 7.397 1.00 24.20 H new ATOM 0 HB2 ASN A 71 8.369 -9.562 7.728 1.00 41.22 H new ATOM 0 HB3 ASN A 71 8.405 -8.460 9.090 1.00 41.22 H new ATOM 0 HD21 ASN A 71 6.674 -12.108 9.434 1.00 74.11 H new ATOM 0 HD22 ASN A 71 7.591 -11.578 8.020 1.00 74.11 H new ATOM 1138 N LYS A 72 6.920 -5.999 8.858 1.00 40.04 N ATOM 1139 CA LYS A 72 6.515 -4.923 9.755 1.00 73.42 C ATOM 1140 C LYS A 72 5.229 -4.264 9.267 1.00 12.42 C ATOM 1141 O LYS A 72 4.334 -3.964 10.058 1.00 5.23 O ATOM 1142 CB LYS A 72 7.627 -3.878 9.866 1.00 53.22 C ATOM 1143 CG LYS A 72 7.192 -2.600 10.562 1.00 5.23 C ATOM 1144 CD LYS A 72 6.619 -2.883 11.940 1.00 33.25 C ATOM 1145 CE LYS A 72 6.128 -1.610 12.613 1.00 41.14 C ATOM 1146 NZ LYS A 72 7.237 -0.870 13.276 1.00 43.03 N ATOM 0 H LYS A 72 7.785 -5.819 8.348 1.00 40.04 H new ATOM 0 HA LYS A 72 6.331 -5.353 10.739 1.00 73.42 H new ATOM 0 HB2 LYS A 72 8.467 -4.310 10.409 1.00 53.22 H new ATOM 0 HB3 LYS A 72 7.986 -3.634 8.866 1.00 53.22 H new ATOM 0 HG2 LYS A 72 8.044 -1.926 10.653 1.00 5.23 H new ATOM 0 HG3 LYS A 72 6.445 -2.090 9.954 1.00 5.23 H new ATOM 0 HD2 LYS A 72 5.795 -3.591 11.854 1.00 33.25 H new ATOM 0 HD3 LYS A 72 7.380 -3.354 12.562 1.00 33.25 H new ATOM 0 HE2 LYS A 72 5.654 -0.967 11.871 1.00 41.14 H new ATOM 0 HE3 LYS A 72 5.366 -1.860 13.351 1.00 41.14 H new ATOM 0 HZ1 LYS A 72 6.862 -0.009 13.723 1.00 43.03 H new ATOM 0 HZ2 LYS A 72 7.673 -1.475 14.001 1.00 43.03 H new ATOM 0 HZ3 LYS A 72 7.952 -0.609 12.568 1.00 43.03 H new ATOM 1160 N VAL A 73 5.142 -4.041 7.960 1.00 61.35 N ATOM 1161 CA VAL A 73 3.964 -3.419 7.366 1.00 23.52 C ATOM 1162 C VAL A 73 2.730 -4.295 7.548 1.00 31.43 C ATOM 1163 O VAL A 73 1.600 -3.805 7.541 1.00 24.43 O ATOM 1164 CB VAL A 73 4.170 -3.147 5.864 1.00 11.03 C ATOM 1165 CG1 VAL A 73 2.857 -2.747 5.209 1.00 14.13 C ATOM 1166 CG2 VAL A 73 5.227 -2.073 5.658 1.00 0.30 C ATOM 0 H VAL A 73 5.874 -4.282 7.291 1.00 61.35 H new ATOM 0 HA VAL A 73 3.812 -2.471 7.882 1.00 23.52 H new ATOM 0 HB VAL A 73 4.520 -4.064 5.391 1.00 11.03 H new ATOM 0 HG11 VAL A 73 3.022 -2.559 4.148 1.00 14.13 H new ATOM 0 HG12 VAL A 73 2.132 -3.552 5.326 1.00 14.13 H new ATOM 0 HG13 VAL A 73 2.475 -1.843 5.683 1.00 14.13 H new ATOM 0 HG21 VAL A 73 5.360 -1.893 4.591 1.00 0.30 H new ATOM 0 HG22 VAL A 73 4.908 -1.151 6.144 1.00 0.30 H new ATOM 0 HG23 VAL A 73 6.171 -2.404 6.091 1.00 0.30 H new ATOM 1176 N LYS A 74 2.952 -5.595 7.712 1.00 64.11 N ATOM 1177 CA LYS A 74 1.859 -6.542 7.898 1.00 10.51 C ATOM 1178 C LYS A 74 1.109 -6.258 9.196 1.00 24.50 C ATOM 1179 O LYS A 74 0.026 -6.795 9.427 1.00 30.25 O ATOM 1180 CB LYS A 74 2.394 -7.975 7.908 1.00 22.21 C ATOM 1181 CG LYS A 74 2.811 -8.478 6.537 1.00 23.40 C ATOM 1182 CD LYS A 74 1.845 -9.526 6.010 1.00 41.01 C ATOM 1183 CE LYS A 74 2.541 -10.509 5.081 1.00 42.11 C ATOM 1184 NZ LYS A 74 3.635 -11.246 5.772 1.00 4.41 N ATOM 0 H LYS A 74 3.881 -6.017 7.720 1.00 64.11 H new ATOM 0 HA LYS A 74 1.165 -6.426 7.065 1.00 10.51 H new ATOM 0 HB2 LYS A 74 3.249 -8.030 8.581 1.00 22.21 H new ATOM 0 HB3 LYS A 74 1.628 -8.637 8.311 1.00 22.21 H new ATOM 0 HG2 LYS A 74 2.857 -7.641 5.840 1.00 23.40 H new ATOM 0 HG3 LYS A 74 3.814 -8.902 6.593 1.00 23.40 H new ATOM 0 HD2 LYS A 74 1.401 -10.066 6.846 1.00 41.01 H new ATOM 0 HD3 LYS A 74 1.030 -9.036 5.478 1.00 41.01 H new ATOM 0 HE2 LYS A 74 1.812 -11.221 4.693 1.00 42.11 H new ATOM 0 HE3 LYS A 74 2.949 -9.972 4.224 1.00 42.11 H new ATOM 0 HZ1 LYS A 74 4.538 -11.057 5.292 1.00 4.41 H new ATOM 0 HZ2 LYS A 74 3.696 -10.930 6.761 1.00 4.41 H new ATOM 0 HZ3 LYS A 74 3.436 -12.267 5.746 1.00 4.41 H new ATOM 1198 N TRP A 75 1.692 -5.412 10.038 1.00 70.35 N ATOM 1199 CA TRP A 75 1.077 -5.057 11.312 1.00 64.22 C ATOM 1200 C TRP A 75 -0.183 -4.226 11.096 1.00 65.34 C ATOM 1201 O TRP A 75 -1.033 -4.129 11.981 1.00 44.20 O ATOM 1202 CB TRP A 75 2.070 -4.284 12.182 1.00 32.52 C ATOM 1203 CG TRP A 75 2.203 -2.843 11.794 1.00 64.00 C ATOM 1204 CD1 TRP A 75 2.213 -2.333 10.527 1.00 2.01 C ATOM 1205 CD2 TRP A 75 2.348 -1.727 12.679 1.00 23.01 C ATOM 1206 NE1 TRP A 75 2.356 -0.967 10.571 1.00 35.04 N ATOM 1207 CE2 TRP A 75 2.440 -0.571 11.880 1.00 54.41 C ATOM 1208 CE3 TRP A 75 2.408 -1.592 14.069 1.00 54.34 C ATOM 1209 CZ2 TRP A 75 2.588 0.701 12.426 1.00 1.41 C ATOM 1210 CZ3 TRP A 75 2.555 -0.329 14.609 1.00 4.51 C ATOM 1211 CH2 TRP A 75 2.643 0.805 13.789 1.00 24.55 C ATOM 0 H TRP A 75 2.589 -4.959 9.862 1.00 70.35 H new ATOM 0 HA TRP A 75 0.798 -5.979 11.822 1.00 64.22 H new ATOM 0 HB2 TRP A 75 1.754 -4.345 13.223 1.00 32.52 H new ATOM 0 HB3 TRP A 75 3.047 -4.762 12.117 1.00 32.52 H new ATOM 0 HD1 TRP A 75 2.122 -2.917 9.623 1.00 2.01 H new ATOM 0 HE1 TRP A 75 2.394 -0.348 9.761 1.00 35.04 H new ATOM 0 HE3 TRP A 75 2.341 -2.459 14.709 1.00 54.34 H new ATOM 0 HZ2 TRP A 75 2.657 1.575 11.796 1.00 1.41 H new ATOM 0 HZ3 TRP A 75 2.603 -0.213 15.682 1.00 4.51 H new ATOM 0 HH2 TRP A 75 2.756 1.779 14.242 1.00 24.55 H new ATOM 1222 N TYR A 76 -0.297 -3.630 9.914 1.00 1.54 N ATOM 1223 CA TYR A 76 -1.453 -2.805 9.584 1.00 40.15 C ATOM 1224 C TYR A 76 -2.281 -3.447 8.475 1.00 62.24 C ATOM 1225 O TYR A 76 -3.496 -3.602 8.601 1.00 54.42 O ATOM 1226 CB TYR A 76 -1.003 -1.407 9.155 1.00 61.21 C ATOM 1227 CG TYR A 76 -1.176 -0.359 10.231 1.00 40.14 C ATOM 1228 CD1 TYR A 76 -2.314 -0.333 11.027 1.00 73.13 C ATOM 1229 CD2 TYR A 76 -0.200 0.605 10.452 1.00 52.55 C ATOM 1230 CE1 TYR A 76 -2.477 0.623 12.010 1.00 42.40 C ATOM 1231 CE2 TYR A 76 -0.354 1.565 11.434 1.00 64.13 C ATOM 1232 CZ TYR A 76 -1.494 1.570 12.210 1.00 63.02 C ATOM 1233 OH TYR A 76 -1.651 2.524 13.189 1.00 32.43 O ATOM 0 H TYR A 76 0.396 -3.703 9.169 1.00 1.54 H new ATOM 0 HA TYR A 76 -2.074 -2.722 10.476 1.00 40.15 H new ATOM 0 HB2 TYR A 76 0.046 -1.446 8.863 1.00 61.21 H new ATOM 0 HB3 TYR A 76 -1.569 -1.107 8.273 1.00 61.21 H new ATOM 0 HD1 TYR A 76 -3.085 -1.074 10.874 1.00 73.13 H new ATOM 0 HD2 TYR A 76 0.694 0.604 9.846 1.00 52.55 H new ATOM 0 HE1 TYR A 76 -3.369 0.629 12.619 1.00 42.40 H new ATOM 0 HE2 TYR A 76 0.414 2.307 11.593 1.00 64.13 H new ATOM 0 HH TYR A 76 -0.790 2.957 13.365 1.00 32.43 H new ATOM 1243 N LEU A 77 -1.614 -3.820 7.388 1.00 22.42 N ATOM 1244 CA LEU A 77 -2.286 -4.447 6.255 1.00 20.44 C ATOM 1245 C LEU A 77 -2.706 -5.874 6.593 1.00 23.50 C ATOM 1246 O LEU A 77 -3.468 -6.499 5.857 1.00 55.31 O ATOM 1247 CB LEU A 77 -1.370 -4.449 5.031 1.00 65.54 C ATOM 1248 CG LEU A 77 -1.069 -3.082 4.415 1.00 22.41 C ATOM 1249 CD1 LEU A 77 0.069 -3.188 3.412 1.00 40.45 C ATOM 1250 CD2 LEU A 77 -2.314 -2.509 3.754 1.00 30.53 C ATOM 0 H LEU A 77 -0.608 -3.699 7.267 1.00 22.42 H new ATOM 0 HA LEU A 77 -3.182 -3.868 6.029 1.00 20.44 H new ATOM 0 HB2 LEU A 77 -0.425 -4.915 5.310 1.00 65.54 H new ATOM 0 HB3 LEU A 77 -1.822 -5.079 4.265 1.00 65.54 H new ATOM 0 HG LEU A 77 -0.761 -2.405 5.212 1.00 22.41 H new ATOM 0 HD11 LEU A 77 0.269 -2.206 2.984 1.00 40.45 H new ATOM 0 HD12 LEU A 77 0.964 -3.554 3.915 1.00 40.45 H new ATOM 0 HD13 LEU A 77 -0.210 -3.880 2.617 1.00 40.45 H new ATOM 0 HD21 LEU A 77 -2.081 -1.536 3.321 1.00 30.53 H new ATOM 0 HD22 LEU A 77 -2.652 -3.184 2.968 1.00 30.53 H new ATOM 0 HD23 LEU A 77 -3.102 -2.396 4.499 1.00 30.53 H new ATOM 1262 N GLY A 78 -2.203 -6.384 7.714 1.00 71.55 N ATOM 1263 CA GLY A 78 -2.539 -7.733 8.130 1.00 22.44 C ATOM 1264 C GLY A 78 -1.963 -8.786 7.204 1.00 33.54 C ATOM 1265 O GLY A 78 -1.686 -8.512 6.037 1.00 2.34 O ATOM 0 H GLY A 78 -1.570 -5.887 8.340 1.00 71.55 H new ATOM 0 HA2 GLY A 78 -2.168 -7.901 9.141 1.00 22.44 H new ATOM 0 HA3 GLY A 78 -3.623 -7.839 8.166 1.00 22.44 H new ATOM 1269 N ALA A 79 -1.782 -9.995 7.726 1.00 60.42 N ATOM 1270 CA ALA A 79 -1.236 -11.093 6.938 1.00 60.33 C ATOM 1271 C ALA A 79 -2.278 -11.647 5.972 1.00 31.10 C ATOM 1272 O ALA A 79 -1.938 -12.183 4.917 1.00 1.21 O ATOM 1273 CB ALA A 79 -0.723 -12.195 7.852 1.00 23.44 C ATOM 0 H ALA A 79 -2.006 -10.239 8.691 1.00 60.42 H new ATOM 0 HA ALA A 79 -0.403 -10.706 6.351 1.00 60.33 H new ATOM 0 HB1 ALA A 79 -0.318 -13.008 7.250 1.00 23.44 H new ATOM 0 HB2 ALA A 79 0.060 -11.797 8.498 1.00 23.44 H new ATOM 0 HB3 ALA A 79 -1.543 -12.570 8.465 1.00 23.44 H new ATOM 1279 N ARG A 80 -3.548 -11.515 6.340 1.00 33.20 N ATOM 1280 CA ARG A 80 -4.640 -12.004 5.507 1.00 60.53 C ATOM 1281 C ARG A 80 -4.530 -11.454 4.088 1.00 65.33 C ATOM 1282 O ARG A 80 -4.745 -12.176 3.113 1.00 5.11 O ATOM 1283 CB ARG A 80 -5.988 -11.613 6.114 1.00 54.54 C ATOM 1284 CG ARG A 80 -6.195 -12.134 7.526 1.00 11.13 C ATOM 1285 CD ARG A 80 -7.377 -13.088 7.601 1.00 52.43 C ATOM 1286 NE ARG A 80 -7.103 -14.353 6.925 1.00 52.24 N ATOM 1287 CZ ARG A 80 -7.917 -15.402 6.970 1.00 51.42 C ATOM 1288 NH1 ARG A 80 -9.050 -15.336 7.655 1.00 32.52 N ATOM 1289 NH2 ARG A 80 -7.598 -16.518 6.328 1.00 33.41 N ATOM 0 H ARG A 80 -3.846 -11.073 7.210 1.00 33.20 H new ATOM 0 HA ARG A 80 -4.571 -13.091 5.463 1.00 60.53 H new ATOM 0 HB2 ARG A 80 -6.072 -10.526 6.121 1.00 54.54 H new ATOM 0 HB3 ARG A 80 -6.787 -11.990 5.476 1.00 54.54 H new ATOM 0 HG2 ARG A 80 -5.292 -12.644 7.862 1.00 11.13 H new ATOM 0 HG3 ARG A 80 -6.359 -11.296 8.204 1.00 11.13 H new ATOM 0 HD2 ARG A 80 -7.622 -13.281 8.646 1.00 52.43 H new ATOM 0 HD3 ARG A 80 -8.251 -12.618 7.150 1.00 52.43 H new ATOM 0 HE ARG A 80 -6.239 -14.436 6.389 1.00 52.24 H new ATOM 0 HH11 ARG A 80 -9.298 -14.479 8.149 1.00 32.52 H new ATOM 0 HH12 ARG A 80 -9.674 -16.143 7.688 1.00 32.52 H new ATOM 0 HH21 ARG A 80 -6.727 -16.571 5.799 1.00 33.41 H new ATOM 0 HH22 ARG A 80 -8.223 -17.323 6.363 1.00 33.41 H new ATOM 1303 N CYS A 81 -4.194 -10.174 3.980 1.00 0.40 N ATOM 1304 CA CYS A 81 -4.056 -9.526 2.680 1.00 13.03 C ATOM 1305 C CYS A 81 -2.608 -9.567 2.203 1.00 73.41 C ATOM 1306 O CYS A 81 -1.690 -9.202 2.938 1.00 33.42 O ATOM 1307 CB CYS A 81 -4.540 -8.077 2.755 1.00 30.14 C ATOM 1308 SG CYS A 81 -6.132 -7.873 3.588 1.00 50.41 S ATOM 0 H CYS A 81 -4.012 -9.564 4.777 1.00 0.40 H new ATOM 0 HA CYS A 81 -4.671 -10.070 1.963 1.00 13.03 H new ATOM 0 HB2 CYS A 81 -3.790 -7.481 3.276 1.00 30.14 H new ATOM 0 HB3 CYS A 81 -4.617 -7.678 1.744 1.00 30.14 H new ATOM 0 HG CYS A 81 -6.455 -6.614 3.603 1.00 50.41 H new ATOM 1314 N HIS A 82 -2.411 -10.016 0.967 1.00 24.03 N ATOM 1315 CA HIS A 82 -1.073 -10.106 0.392 1.00 75.54 C ATOM 1316 C HIS A 82 -0.537 -8.721 0.044 1.00 61.23 C ATOM 1317 O HIS A 82 -1.188 -7.953 -0.665 1.00 70.22 O ATOM 1318 CB HIS A 82 -1.092 -10.988 -0.858 1.00 3.33 C ATOM 1319 CG HIS A 82 0.256 -11.523 -1.233 1.00 50.52 C ATOM 1320 ND1 HIS A 82 0.992 -12.352 -0.413 1.00 74.13 N ATOM 1321 CD2 HIS A 82 1.000 -11.343 -2.349 1.00 61.05 C ATOM 1322 CE1 HIS A 82 2.131 -12.658 -1.008 1.00 74.34 C ATOM 1323 NE2 HIS A 82 2.160 -12.059 -2.185 1.00 43.00 N ATOM 0 H HIS A 82 -3.159 -10.323 0.345 1.00 24.03 H new ATOM 0 HA HIS A 82 -0.413 -10.555 1.135 1.00 75.54 H new ATOM 0 HB2 HIS A 82 -1.773 -11.823 -0.693 1.00 3.33 H new ATOM 0 HB3 HIS A 82 -1.491 -10.412 -1.693 1.00 3.33 H new ATOM 0 HD2 HIS A 82 0.731 -10.747 -3.209 1.00 61.05 H new ATOM 0 HE1 HIS A 82 2.906 -13.290 -0.601 1.00 74.34 H new ATOM 0 HE2 HIS A 82 2.921 -12.119 -2.862 1.00 43.00 H new ATOM 1331 N ILE A 83 0.652 -8.409 0.547 1.00 24.13 N ATOM 1332 CA ILE A 83 1.275 -7.117 0.289 1.00 4.11 C ATOM 1333 C ILE A 83 2.526 -7.271 -0.569 1.00 25.50 C ATOM 1334 O ILE A 83 3.211 -8.292 -0.507 1.00 30.14 O ATOM 1335 CB ILE A 83 1.651 -6.401 1.600 1.00 51.01 C ATOM 1336 CG1 ILE A 83 2.713 -7.200 2.357 1.00 63.50 C ATOM 1337 CG2 ILE A 83 0.416 -6.198 2.465 1.00 21.43 C ATOM 1338 CD1 ILE A 83 3.257 -6.483 3.573 1.00 62.14 C ATOM 0 H ILE A 83 1.203 -9.033 1.136 1.00 24.13 H new ATOM 0 HA ILE A 83 0.541 -6.515 -0.247 1.00 4.11 H new ATOM 0 HB ILE A 83 2.065 -5.423 1.357 1.00 51.01 H new ATOM 0 HG12 ILE A 83 2.285 -8.153 2.668 1.00 63.50 H new ATOM 0 HG13 ILE A 83 3.537 -7.426 1.680 1.00 63.50 H new ATOM 0 HG21 ILE A 83 0.698 -5.691 3.388 1.00 21.43 H new ATOM 0 HG22 ILE A 83 -0.311 -5.591 1.925 1.00 21.43 H new ATOM 0 HG23 ILE A 83 -0.025 -7.166 2.703 1.00 21.43 H new ATOM 0 HD11 ILE A 83 4.005 -7.109 4.060 1.00 62.14 H new ATOM 0 HD12 ILE A 83 3.715 -5.542 3.266 1.00 62.14 H new ATOM 0 HD13 ILE A 83 2.444 -6.281 4.270 1.00 62.14 H new ATOM 1350 N GLU A 84 2.819 -6.250 -1.368 1.00 63.32 N ATOM 1351 CA GLU A 84 3.989 -6.273 -2.238 1.00 63.11 C ATOM 1352 C GLU A 84 4.539 -4.865 -2.448 1.00 53.02 C ATOM 1353 O GLU A 84 3.863 -3.874 -2.169 1.00 21.21 O ATOM 1354 CB GLU A 84 3.637 -6.901 -3.588 1.00 34.40 C ATOM 1355 CG GLU A 84 4.167 -8.315 -3.758 1.00 73.14 C ATOM 1356 CD GLU A 84 4.053 -8.813 -5.186 1.00 41.43 C ATOM 1357 OE1 GLU A 84 4.566 -8.127 -6.095 1.00 43.14 O ATOM 1358 OE2 GLU A 84 3.451 -9.887 -5.395 1.00 3.40 O ATOM 0 H GLU A 84 2.263 -5.397 -1.431 1.00 63.32 H new ATOM 0 HA GLU A 84 4.757 -6.876 -1.754 1.00 63.11 H new ATOM 0 HB2 GLU A 84 2.553 -6.912 -3.703 1.00 34.40 H new ATOM 0 HB3 GLU A 84 4.035 -6.274 -4.386 1.00 34.40 H new ATOM 0 HG2 GLU A 84 5.212 -8.347 -3.448 1.00 73.14 H new ATOM 0 HG3 GLU A 84 3.618 -8.987 -3.098 1.00 73.14 H new ATOM 1365 N LYS A 85 5.770 -4.784 -2.942 1.00 34.11 N ATOM 1366 CA LYS A 85 6.412 -3.499 -3.191 1.00 13.12 C ATOM 1367 C LYS A 85 5.900 -2.877 -4.486 1.00 63.14 C ATOM 1368 O LYS A 85 5.826 -3.543 -5.518 1.00 71.34 O ATOM 1369 CB LYS A 85 7.931 -3.669 -3.259 1.00 70.45 C ATOM 1370 CG LYS A 85 8.387 -4.628 -4.346 1.00 30.34 C ATOM 1371 CD LYS A 85 9.890 -4.846 -4.302 1.00 42.13 C ATOM 1372 CE LYS A 85 10.239 -6.326 -4.290 1.00 70.31 C ATOM 1373 NZ LYS A 85 9.789 -6.992 -3.036 1.00 52.14 N ATOM 0 H LYS A 85 6.343 -5.594 -3.178 1.00 34.11 H new ATOM 0 HA LYS A 85 6.165 -2.831 -2.366 1.00 13.12 H new ATOM 0 HB2 LYS A 85 8.390 -2.695 -3.429 1.00 70.45 H new ATOM 0 HB3 LYS A 85 8.292 -4.027 -2.295 1.00 70.45 H new ATOM 0 HG2 LYS A 85 7.876 -5.584 -4.227 1.00 30.34 H new ATOM 0 HG3 LYS A 85 8.104 -4.234 -5.322 1.00 30.34 H new ATOM 0 HD2 LYS A 85 10.353 -4.369 -5.166 1.00 42.13 H new ATOM 0 HD3 LYS A 85 10.302 -4.367 -3.414 1.00 42.13 H new ATOM 0 HE2 LYS A 85 9.776 -6.815 -5.147 1.00 70.31 H new ATOM 0 HE3 LYS A 85 11.317 -6.446 -4.398 1.00 70.31 H new ATOM 0 HZ1 LYS A 85 10.318 -7.877 -2.904 1.00 52.14 H new ATOM 0 HZ2 LYS A 85 9.961 -6.362 -2.227 1.00 52.14 H new ATOM 0 HZ3 LYS A 85 8.773 -7.203 -3.100 1.00 52.14 H new ATOM 1387 N ALA A 86 5.550 -1.596 -4.425 1.00 64.50 N ATOM 1388 CA ALA A 86 5.050 -0.884 -5.594 1.00 73.52 C ATOM 1389 C ALA A 86 6.197 -0.352 -6.446 1.00 22.12 C ATOM 1390 O ALA A 86 7.302 -0.129 -5.949 1.00 75.22 O ATOM 1391 CB ALA A 86 4.135 0.254 -5.167 1.00 73.32 C ATOM 0 H ALA A 86 5.604 -1.030 -3.578 1.00 64.50 H new ATOM 0 HA ALA A 86 4.479 -1.587 -6.200 1.00 73.52 H new ATOM 0 HB1 ALA A 86 3.769 0.777 -6.050 1.00 73.32 H new ATOM 0 HB2 ALA A 86 3.291 -0.148 -4.607 1.00 73.32 H new ATOM 0 HB3 ALA A 86 4.689 0.950 -4.537 1.00 73.32 H new ATOM 1397 N LYS A 87 5.930 -0.151 -7.732 1.00 15.34 N ATOM 1398 CA LYS A 87 6.939 0.356 -8.654 1.00 0.14 C ATOM 1399 C LYS A 87 6.366 1.462 -9.534 1.00 12.12 C ATOM 1400 O LYS A 87 5.208 1.404 -9.945 1.00 13.11 O ATOM 1401 CB LYS A 87 7.477 -0.779 -9.528 1.00 33.01 C ATOM 1402 CG LYS A 87 6.503 -1.233 -10.602 1.00 2.21 C ATOM 1403 CD LYS A 87 6.421 -2.748 -10.676 1.00 64.30 C ATOM 1404 CE LYS A 87 5.054 -3.210 -11.157 1.00 2.12 C ATOM 1405 NZ LYS A 87 5.083 -4.617 -11.643 1.00 63.03 N ATOM 0 H LYS A 87 5.022 -0.332 -8.160 1.00 15.34 H new ATOM 0 HA LYS A 87 7.757 0.772 -8.065 1.00 0.14 H new ATOM 0 HB2 LYS A 87 8.403 -0.453 -10.003 1.00 33.01 H new ATOM 0 HB3 LYS A 87 7.726 -1.629 -8.893 1.00 33.01 H new ATOM 0 HG2 LYS A 87 5.514 -0.824 -10.394 1.00 2.21 H new ATOM 0 HG3 LYS A 87 6.815 -0.837 -11.568 1.00 2.21 H new ATOM 0 HD2 LYS A 87 7.191 -3.122 -11.351 1.00 64.30 H new ATOM 0 HD3 LYS A 87 6.625 -3.173 -9.693 1.00 64.30 H new ATOM 0 HE2 LYS A 87 4.334 -3.122 -10.343 1.00 2.12 H new ATOM 0 HE3 LYS A 87 4.711 -2.556 -11.959 1.00 2.12 H new ATOM 0 HZ1 LYS A 87 4.133 -4.894 -11.962 1.00 63.03 H new ATOM 0 HZ2 LYS A 87 5.751 -4.697 -12.436 1.00 63.03 H new ATOM 0 HZ3 LYS A 87 5.386 -5.245 -10.871 1.00 63.03 H new ATOM 1419 N GLY A 88 7.185 2.469 -9.820 1.00 45.15 N ATOM 1420 CA GLY A 88 6.742 3.573 -10.651 1.00 51.14 C ATOM 1421 C GLY A 88 6.578 4.860 -9.867 1.00 31.30 C ATOM 1422 O GLY A 88 7.227 5.057 -8.839 1.00 71.11 O ATOM 0 H GLY A 88 8.148 2.540 -9.491 1.00 45.15 H new ATOM 0 HA2 GLY A 88 7.461 3.730 -11.455 1.00 51.14 H new ATOM 0 HA3 GLY A 88 5.793 3.313 -11.119 1.00 51.14 H new ATOM 1426 N THR A 89 5.708 5.740 -10.353 1.00 4.54 N ATOM 1427 CA THR A 89 5.463 7.016 -9.692 1.00 40.20 C ATOM 1428 C THR A 89 4.059 7.068 -9.101 1.00 10.13 C ATOM 1429 O THR A 89 3.255 6.159 -9.306 1.00 74.02 O ATOM 1430 CB THR A 89 5.642 8.196 -10.666 1.00 13.55 C ATOM 1431 OG1 THR A 89 4.530 8.262 -11.566 1.00 31.34 O ATOM 1432 CG2 THR A 89 6.933 8.055 -11.456 1.00 64.25 C ATOM 0 H THR A 89 5.162 5.592 -11.202 1.00 4.54 H new ATOM 0 HA THR A 89 6.195 7.102 -8.889 1.00 40.20 H new ATOM 0 HB THR A 89 5.691 9.115 -10.082 1.00 13.55 H new ATOM 0 HG1 THR A 89 4.651 9.016 -12.181 1.00 31.34 H new ATOM 0 HG21 THR A 89 7.037 8.900 -12.137 1.00 64.25 H new ATOM 0 HG22 THR A 89 7.779 8.036 -10.769 1.00 64.25 H new ATOM 0 HG23 THR A 89 6.910 7.128 -12.029 1.00 64.25 H new ATOM 1440 N ASP A 90 3.771 8.137 -8.366 1.00 74.15 N ATOM 1441 CA ASP A 90 2.462 8.308 -7.746 1.00 52.14 C ATOM 1442 C ASP A 90 1.353 8.244 -8.792 1.00 14.22 C ATOM 1443 O ASP A 90 0.298 7.655 -8.556 1.00 25.31 O ATOM 1444 CB ASP A 90 2.398 9.641 -6.998 1.00 65.44 C ATOM 1445 CG ASP A 90 1.039 9.891 -6.376 1.00 50.31 C ATOM 1446 OD1 ASP A 90 0.081 10.162 -7.131 1.00 62.40 O ATOM 1447 OD2 ASP A 90 0.932 9.816 -5.134 1.00 44.33 O ATOM 0 H ASP A 90 4.426 8.898 -8.185 1.00 74.15 H new ATOM 0 HA ASP A 90 2.315 7.494 -7.036 1.00 52.14 H new ATOM 0 HB2 ASP A 90 3.159 9.653 -6.218 1.00 65.44 H new ATOM 0 HB3 ASP A 90 2.634 10.452 -7.687 1.00 65.44 H new ATOM 1452 N GLN A 91 1.598 8.856 -9.946 1.00 64.30 N ATOM 1453 CA GLN A 91 0.619 8.869 -11.026 1.00 42.43 C ATOM 1454 C GLN A 91 0.368 7.460 -11.551 1.00 62.34 C ATOM 1455 O GLN A 91 -0.754 7.117 -11.924 1.00 3.34 O ATOM 1456 CB GLN A 91 1.097 9.773 -12.165 1.00 31.24 C ATOM 1457 CG GLN A 91 -0.036 10.385 -12.972 1.00 34.10 C ATOM 1458 CD GLN A 91 -0.715 11.531 -12.249 1.00 12.42 C ATOM 1459 OE1 GLN A 91 -0.236 12.665 -12.271 1.00 43.41 O ATOM 1460 NE2 GLN A 91 -1.838 11.242 -11.602 1.00 72.21 N ATOM 0 H GLN A 91 2.466 9.349 -10.157 1.00 64.30 H new ATOM 0 HA GLN A 91 -0.317 9.261 -10.629 1.00 42.43 H new ATOM 0 HB2 GLN A 91 1.710 10.573 -11.750 1.00 31.24 H new ATOM 0 HB3 GLN A 91 1.737 9.195 -12.832 1.00 31.24 H new ATOM 0 HG2 GLN A 91 0.354 10.742 -13.925 1.00 34.10 H new ATOM 0 HG3 GLN A 91 -0.774 9.615 -13.197 1.00 34.10 H new ATOM 0 HE21 GLN A 91 -2.200 10.288 -11.610 1.00 72.21 H new ATOM 0 HE22 GLN A 91 -2.339 11.974 -11.097 1.00 72.21 H new ATOM 1469 N GLN A 92 1.420 6.648 -11.578 1.00 70.44 N ATOM 1470 CA GLN A 92 1.313 5.275 -12.059 1.00 54.22 C ATOM 1471 C GLN A 92 0.451 4.436 -11.121 1.00 63.35 C ATOM 1472 O GLN A 92 -0.359 3.625 -11.567 1.00 73.21 O ATOM 1473 CB GLN A 92 2.702 4.649 -12.193 1.00 11.15 C ATOM 1474 CG GLN A 92 3.321 4.829 -13.569 1.00 73.13 C ATOM 1475 CD GLN A 92 4.034 3.583 -14.056 1.00 22.13 C ATOM 1476 OE1 GLN A 92 3.404 2.638 -14.531 1.00 34.13 O ATOM 1477 NE2 GLN A 92 5.357 3.575 -13.940 1.00 30.51 N ATOM 0 H GLN A 92 2.355 6.917 -11.273 1.00 70.44 H new ATOM 0 HA GLN A 92 0.837 5.296 -13.039 1.00 54.22 H new ATOM 0 HB2 GLN A 92 3.363 5.089 -11.446 1.00 11.15 H new ATOM 0 HB3 GLN A 92 2.634 3.584 -11.971 1.00 11.15 H new ATOM 0 HG2 GLN A 92 2.541 5.099 -14.281 1.00 73.13 H new ATOM 0 HG3 GLN A 92 4.027 5.659 -13.540 1.00 73.13 H new ATOM 0 HE21 GLN A 92 5.839 4.380 -13.540 1.00 30.51 H new ATOM 0 HE22 GLN A 92 5.891 2.764 -14.251 1.00 30.51 H new ATOM 1486 N ASN A 93 0.634 4.636 -9.820 1.00 54.13 N ATOM 1487 CA ASN A 93 -0.127 3.896 -8.819 1.00 45.42 C ATOM 1488 C ASN A 93 -1.553 4.428 -8.717 1.00 60.11 C ATOM 1489 O ASN A 93 -2.506 3.660 -8.582 1.00 63.32 O ATOM 1490 CB ASN A 93 0.562 3.987 -7.456 1.00 42.10 C ATOM 1491 CG ASN A 93 1.793 3.106 -7.371 1.00 24.24 C ATOM 1492 OD1 ASN A 93 1.934 2.304 -6.447 1.00 74.10 O ATOM 1493 ND2 ASN A 93 2.693 3.251 -8.336 1.00 43.53 N ATOM 0 H ASN A 93 1.302 5.303 -9.434 1.00 54.13 H new ATOM 0 HA ASN A 93 -0.169 2.852 -9.129 1.00 45.42 H new ATOM 0 HB2 ASN A 93 0.845 5.022 -7.263 1.00 42.10 H new ATOM 0 HB3 ASN A 93 -0.142 3.699 -6.676 1.00 42.10 H new ATOM 0 HD21 ASN A 93 3.542 2.686 -8.331 1.00 43.53 H new ATOM 0 HD22 ASN A 93 2.536 3.928 -9.083 1.00 43.53 H new ATOM 1500 N LYS A 94 -1.693 5.748 -8.783 1.00 61.50 N ATOM 1501 CA LYS A 94 -3.002 6.384 -8.700 1.00 73.32 C ATOM 1502 C LYS A 94 -3.896 5.942 -9.855 1.00 44.41 C ATOM 1503 O LYS A 94 -5.058 5.594 -9.653 1.00 73.04 O ATOM 1504 CB LYS A 94 -2.854 7.907 -8.710 1.00 24.25 C ATOM 1505 CG LYS A 94 -4.149 8.646 -8.425 1.00 15.12 C ATOM 1506 CD LYS A 94 -3.913 9.873 -7.560 1.00 51.12 C ATOM 1507 CE LYS A 94 -3.782 11.132 -8.403 1.00 53.33 C ATOM 1508 NZ LYS A 94 -5.012 11.970 -8.343 1.00 50.14 N ATOM 0 H LYS A 94 -0.915 6.398 -8.894 1.00 61.50 H new ATOM 0 HA LYS A 94 -3.468 6.077 -7.764 1.00 73.32 H new ATOM 0 HB2 LYS A 94 -2.110 8.196 -7.968 1.00 24.25 H new ATOM 0 HB3 LYS A 94 -2.473 8.220 -9.682 1.00 24.25 H new ATOM 0 HG2 LYS A 94 -4.612 8.946 -9.365 1.00 15.12 H new ATOM 0 HG3 LYS A 94 -4.849 7.976 -7.925 1.00 15.12 H new ATOM 0 HD2 LYS A 94 -4.738 9.988 -6.857 1.00 51.12 H new ATOM 0 HD3 LYS A 94 -3.008 9.734 -6.969 1.00 51.12 H new ATOM 0 HE2 LYS A 94 -2.928 11.714 -8.056 1.00 53.33 H new ATOM 0 HE3 LYS A 94 -3.580 10.857 -9.438 1.00 53.33 H new ATOM 0 HZ1 LYS A 94 -4.883 12.819 -8.930 1.00 50.14 H new ATOM 0 HZ2 LYS A 94 -5.822 11.423 -8.698 1.00 50.14 H new ATOM 0 HZ3 LYS A 94 -5.191 12.254 -7.359 1.00 50.14 H new ATOM 1522 N GLU A 95 -3.343 5.959 -11.064 1.00 74.13 N ATOM 1523 CA GLU A 95 -4.092 5.560 -12.250 1.00 64.55 C ATOM 1524 C GLU A 95 -4.331 4.053 -12.261 1.00 33.54 C ATOM 1525 O GLU A 95 -5.380 3.583 -12.702 1.00 74.20 O ATOM 1526 CB GLU A 95 -3.342 5.976 -13.518 1.00 11.33 C ATOM 1527 CG GLU A 95 -3.377 7.472 -13.781 1.00 50.32 C ATOM 1528 CD GLU A 95 -3.147 7.813 -15.241 1.00 3.23 C ATOM 1529 OE1 GLU A 95 -1.975 7.814 -15.673 1.00 32.43 O ATOM 1530 OE2 GLU A 95 -4.139 8.079 -15.951 1.00 10.32 O ATOM 0 H GLU A 95 -2.381 6.244 -11.248 1.00 74.13 H new ATOM 0 HA GLU A 95 -5.058 6.064 -12.225 1.00 64.55 H new ATOM 0 HB2 GLU A 95 -2.304 5.654 -13.439 1.00 11.33 H new ATOM 0 HB3 GLU A 95 -3.773 5.455 -14.373 1.00 11.33 H new ATOM 0 HG2 GLU A 95 -4.342 7.870 -13.466 1.00 50.32 H new ATOM 0 HG3 GLU A 95 -2.616 7.962 -13.173 1.00 50.32 H new ATOM 1537 N TYR A 96 -3.352 3.300 -11.772 1.00 5.51 N ATOM 1538 CA TYR A 96 -3.454 1.847 -11.727 1.00 64.30 C ATOM 1539 C TYR A 96 -4.624 1.409 -10.852 1.00 13.41 C ATOM 1540 O TYR A 96 -5.395 0.524 -11.224 1.00 20.42 O ATOM 1541 CB TYR A 96 -2.153 1.239 -11.199 1.00 1.21 C ATOM 1542 CG TYR A 96 -2.150 -0.273 -11.192 1.00 43.24 C ATOM 1543 CD1 TYR A 96 -1.935 -0.992 -12.362 1.00 11.05 C ATOM 1544 CD2 TYR A 96 -2.360 -0.982 -10.016 1.00 72.22 C ATOM 1545 CE1 TYR A 96 -1.932 -2.373 -12.360 1.00 72.41 C ATOM 1546 CE2 TYR A 96 -2.357 -2.364 -10.005 1.00 55.31 C ATOM 1547 CZ TYR A 96 -2.144 -3.055 -11.180 1.00 5.45 C ATOM 1548 OH TYR A 96 -2.140 -4.431 -11.174 1.00 1.34 O ATOM 0 H TYR A 96 -2.478 3.673 -11.401 1.00 5.51 H new ATOM 0 HA TYR A 96 -3.629 1.490 -12.742 1.00 64.30 H new ATOM 0 HB2 TYR A 96 -1.322 1.593 -11.810 1.00 1.21 H new ATOM 0 HB3 TYR A 96 -1.979 1.599 -10.185 1.00 1.21 H new ATOM 0 HD1 TYR A 96 -1.768 -0.462 -13.288 1.00 11.05 H new ATOM 0 HD2 TYR A 96 -2.528 -0.444 -9.095 1.00 72.22 H new ATOM 0 HE1 TYR A 96 -1.764 -2.916 -13.278 1.00 72.41 H new ATOM 0 HE2 TYR A 96 -2.520 -2.900 -9.082 1.00 55.31 H new ATOM 0 HH TYR A 96 -2.303 -4.755 -10.263 1.00 1.34 H new ATOM 1558 N CYS A 97 -4.751 2.037 -9.688 1.00 51.33 N ATOM 1559 CA CYS A 97 -5.827 1.714 -8.758 1.00 55.24 C ATOM 1560 C CYS A 97 -7.182 2.110 -9.337 1.00 34.54 C ATOM 1561 O CYS A 97 -8.186 1.435 -9.109 1.00 74.31 O ATOM 1562 CB CYS A 97 -5.604 2.422 -7.421 1.00 61.02 C ATOM 1563 SG CYS A 97 -4.178 1.811 -6.492 1.00 34.11 S ATOM 0 H CYS A 97 -4.122 2.773 -9.366 1.00 51.33 H new ATOM 0 HA CYS A 97 -5.822 0.636 -8.595 1.00 55.24 H new ATOM 0 HB2 CYS A 97 -5.475 3.489 -7.604 1.00 61.02 H new ATOM 0 HB3 CYS A 97 -6.499 2.309 -6.809 1.00 61.02 H new ATOM 0 HG CYS A 97 -3.088 2.315 -6.989 1.00 34.11 H new ATOM 1569 N SER A 98 -7.203 3.208 -10.084 1.00 51.42 N ATOM 1570 CA SER A 98 -8.436 3.697 -10.691 1.00 2.23 C ATOM 1571 C SER A 98 -8.741 2.945 -11.982 1.00 72.14 C ATOM 1572 O SER A 98 -9.857 3.003 -12.500 1.00 62.10 O ATOM 1573 CB SER A 98 -8.330 5.197 -10.973 1.00 72.04 C ATOM 1574 OG SER A 98 -9.603 5.754 -11.255 1.00 24.32 O ATOM 0 H SER A 98 -6.380 3.777 -10.284 1.00 51.42 H new ATOM 0 HA SER A 98 -9.252 3.523 -9.989 1.00 2.23 H new ATOM 0 HB2 SER A 98 -7.891 5.702 -10.112 1.00 72.04 H new ATOM 0 HB3 SER A 98 -7.661 5.365 -11.817 1.00 72.04 H new ATOM 0 HG SER A 98 -10.144 5.101 -11.746 1.00 24.32 H new ATOM 1580 N LYS A 99 -7.741 2.238 -12.499 1.00 12.44 N ATOM 1581 CA LYS A 99 -7.900 1.473 -13.729 1.00 73.51 C ATOM 1582 C LYS A 99 -9.014 0.440 -13.587 1.00 54.44 C ATOM 1583 O LYS A 99 -9.583 -0.012 -14.581 1.00 22.15 O ATOM 1584 CB LYS A 99 -6.588 0.775 -14.093 1.00 63.02 C ATOM 1585 CG LYS A 99 -6.665 -0.035 -15.376 1.00 23.02 C ATOM 1586 CD LYS A 99 -5.408 -0.863 -15.589 1.00 15.12 C ATOM 1587 CE LYS A 99 -5.249 -1.922 -14.509 1.00 2.45 C ATOM 1588 NZ LYS A 99 -5.084 -3.284 -15.087 1.00 53.10 N ATOM 0 H LYS A 99 -6.811 2.180 -12.084 1.00 12.44 H new ATOM 0 HA LYS A 99 -8.170 2.166 -14.526 1.00 73.51 H new ATOM 0 HB2 LYS A 99 -5.803 1.525 -14.193 1.00 63.02 H new ATOM 0 HB3 LYS A 99 -6.297 0.117 -13.274 1.00 63.02 H new ATOM 0 HG2 LYS A 99 -7.533 -0.693 -15.341 1.00 23.02 H new ATOM 0 HG3 LYS A 99 -6.808 0.636 -16.223 1.00 23.02 H new ATOM 0 HD2 LYS A 99 -5.448 -1.342 -16.567 1.00 15.12 H new ATOM 0 HD3 LYS A 99 -4.536 -0.209 -15.590 1.00 15.12 H new ATOM 0 HE2 LYS A 99 -4.384 -1.683 -13.891 1.00 2.45 H new ATOM 0 HE3 LYS A 99 -6.121 -1.908 -13.856 1.00 2.45 H new ATOM 0 HZ1 LYS A 99 -4.979 -3.977 -14.319 1.00 53.10 H new ATOM 0 HZ2 LYS A 99 -5.921 -3.523 -15.657 1.00 53.10 H new ATOM 0 HZ3 LYS A 99 -4.237 -3.305 -15.690 1.00 53.10 H new ATOM 1602 N GLU A 100 -9.322 0.074 -12.347 1.00 4.21 N ATOM 1603 CA GLU A 100 -10.369 -0.904 -12.077 1.00 64.11 C ATOM 1604 C GLU A 100 -11.750 -0.304 -12.321 1.00 52.23 C ATOM 1605 O GLU A 100 -12.741 -1.024 -12.435 1.00 62.32 O ATOM 1606 CB GLU A 100 -10.267 -1.409 -10.636 1.00 51.51 C ATOM 1607 CG GLU A 100 -8.906 -1.987 -10.288 1.00 60.44 C ATOM 1608 CD GLU A 100 -8.612 -1.934 -8.802 1.00 3.32 C ATOM 1609 OE1 GLU A 100 -9.525 -2.233 -8.004 1.00 64.55 O ATOM 1610 OE2 GLU A 100 -7.467 -1.592 -8.436 1.00 54.23 O ATOM 0 H GLU A 100 -8.861 0.440 -11.514 1.00 4.21 H new ATOM 0 HA GLU A 100 -10.231 -1.743 -12.759 1.00 64.11 H new ATOM 0 HB2 GLU A 100 -10.488 -0.587 -9.955 1.00 51.51 H new ATOM 0 HB3 GLU A 100 -11.029 -2.171 -10.472 1.00 51.51 H new ATOM 0 HG2 GLU A 100 -8.857 -3.022 -10.627 1.00 60.44 H new ATOM 0 HG3 GLU A 100 -8.134 -1.438 -10.827 1.00 60.44 H new ATOM 1617 N GLY A 101 -11.807 1.022 -12.400 1.00 14.31 N ATOM 1618 CA GLY A 101 -13.071 1.698 -12.629 1.00 72.01 C ATOM 1619 C GLY A 101 -13.878 1.866 -11.357 1.00 21.12 C ATOM 1620 O GLY A 101 -14.953 2.463 -11.370 1.00 53.23 O ATOM 0 H GLY A 101 -11.001 1.640 -12.310 1.00 14.31 H new ATOM 0 HA2 GLY A 101 -12.881 2.678 -13.067 1.00 72.01 H new ATOM 0 HA3 GLY A 101 -13.656 1.132 -13.354 1.00 72.01 H new ATOM 1624 N ASN A 102 -13.358 1.336 -10.254 1.00 53.12 N ATOM 1625 CA ASN A 102 -14.039 1.428 -8.968 1.00 11.42 C ATOM 1626 C ASN A 102 -13.071 1.860 -7.870 1.00 55.20 C ATOM 1627 O ASN A 102 -12.040 1.224 -7.651 1.00 31.54 O ATOM 1628 CB ASN A 102 -14.673 0.084 -8.605 1.00 24.12 C ATOM 1629 CG ASN A 102 -16.186 0.113 -8.700 1.00 42.21 C ATOM 1630 OD1 ASN A 102 -16.755 -0.068 -9.777 1.00 23.13 O ATOM 1631 ND2 ASN A 102 -16.845 0.343 -7.571 1.00 32.25 N ATOM 0 H ASN A 102 -12.468 0.839 -10.225 1.00 53.12 H new ATOM 0 HA ASN A 102 -14.823 2.180 -9.053 1.00 11.42 H new ATOM 0 HB2 ASN A 102 -14.285 -0.689 -9.269 1.00 24.12 H new ATOM 0 HB3 ASN A 102 -14.381 -0.190 -7.591 1.00 24.12 H new ATOM 0 HD21 ASN A 102 -17.864 0.375 -7.573 1.00 32.25 H new ATOM 0 HD22 ASN A 102 -16.332 0.487 -6.701 1.00 32.25 H new ATOM 1638 N LEU A 103 -13.411 2.945 -7.183 1.00 12.12 N ATOM 1639 CA LEU A 103 -12.573 3.463 -6.107 1.00 33.55 C ATOM 1640 C LEU A 103 -13.140 3.080 -4.743 1.00 54.02 C ATOM 1641 O LEU A 103 -14.319 3.305 -4.464 1.00 22.44 O ATOM 1642 CB LEU A 103 -12.454 4.984 -6.213 1.00 63.22 C ATOM 1643 CG LEU A 103 -11.050 5.530 -6.474 1.00 65.13 C ATOM 1644 CD1 LEU A 103 -10.179 5.379 -5.236 1.00 72.44 C ATOM 1645 CD2 LEU A 103 -10.415 4.824 -7.664 1.00 33.11 C ATOM 0 H LEU A 103 -14.261 3.483 -7.352 1.00 12.12 H new ATOM 0 HA LEU A 103 -11.582 3.020 -6.206 1.00 33.55 H new ATOM 0 HB2 LEU A 103 -13.110 5.325 -7.014 1.00 63.22 H new ATOM 0 HB3 LEU A 103 -12.827 5.423 -5.288 1.00 63.22 H new ATOM 0 HG LEU A 103 -11.132 6.591 -6.708 1.00 65.13 H new ATOM 0 HD11 LEU A 103 -9.184 5.773 -5.441 1.00 72.44 H new ATOM 0 HD12 LEU A 103 -10.624 5.931 -4.408 1.00 72.44 H new ATOM 0 HD13 LEU A 103 -10.104 4.325 -4.970 1.00 72.44 H new ATOM 0 HD21 LEU A 103 -9.416 5.226 -7.835 1.00 33.11 H new ATOM 0 HD22 LEU A 103 -10.346 3.756 -7.459 1.00 33.11 H new ATOM 0 HD23 LEU A 103 -11.027 4.985 -8.551 1.00 33.11 H new ATOM 1657 N LEU A 104 -12.294 2.503 -3.897 1.00 51.11 N ATOM 1658 CA LEU A 104 -12.710 2.091 -2.561 1.00 1.22 C ATOM 1659 C LEU A 104 -12.407 3.180 -1.536 1.00 64.24 C ATOM 1660 O LEU A 104 -13.175 3.395 -0.599 1.00 43.35 O ATOM 1661 CB LEU A 104 -12.007 0.792 -2.164 1.00 62.25 C ATOM 1662 CG LEU A 104 -12.756 -0.102 -1.176 1.00 30.22 C ATOM 1663 CD1 LEU A 104 -12.935 0.608 0.157 1.00 44.31 C ATOM 1664 CD2 LEU A 104 -14.105 -0.516 -1.747 1.00 3.41 C ATOM 0 H LEU A 104 -11.316 2.310 -4.112 1.00 51.11 H new ATOM 0 HA LEU A 104 -13.787 1.923 -2.579 1.00 1.22 H new ATOM 0 HB2 LEU A 104 -11.813 0.216 -3.069 1.00 62.25 H new ATOM 0 HB3 LEU A 104 -11.038 1.044 -1.733 1.00 62.25 H new ATOM 0 HG LEU A 104 -12.163 -1.001 -1.009 1.00 30.22 H new ATOM 0 HD11 LEU A 104 -13.470 -0.044 0.847 1.00 44.31 H new ATOM 0 HD12 LEU A 104 -11.958 0.853 0.573 1.00 44.31 H new ATOM 0 HD13 LEU A 104 -13.506 1.525 0.007 1.00 44.31 H new ATOM 0 HD21 LEU A 104 -14.624 -1.152 -1.030 1.00 3.41 H new ATOM 0 HD22 LEU A 104 -14.705 0.373 -1.944 1.00 3.41 H new ATOM 0 HD23 LEU A 104 -13.954 -1.065 -2.676 1.00 3.41 H new ATOM 1676 N MET A 105 -11.283 3.864 -1.723 1.00 42.31 N ATOM 1677 CA MET A 105 -10.880 4.933 -0.817 1.00 11.43 C ATOM 1678 C MET A 105 -9.974 5.935 -1.526 1.00 25.43 C ATOM 1679 O MET A 105 -9.072 5.550 -2.269 1.00 61.25 O ATOM 1680 CB MET A 105 -10.163 4.353 0.404 1.00 43.34 C ATOM 1681 CG MET A 105 -9.234 5.342 1.089 1.00 22.14 C ATOM 1682 SD MET A 105 -9.149 5.093 2.873 1.00 14.23 S ATOM 1683 CE MET A 105 -7.718 4.024 2.999 1.00 72.54 C ATOM 0 H MET A 105 -10.636 3.697 -2.493 1.00 42.31 H new ATOM 0 HA MET A 105 -11.779 5.454 -0.487 1.00 11.43 H new ATOM 0 HB2 MET A 105 -10.907 4.008 1.122 1.00 43.34 H new ATOM 0 HB3 MET A 105 -9.588 3.480 0.097 1.00 43.34 H new ATOM 0 HG2 MET A 105 -8.234 5.249 0.665 1.00 22.14 H new ATOM 0 HG3 MET A 105 -9.574 6.357 0.883 1.00 22.14 H new ATOM 0 HE1 MET A 105 -7.365 4.009 4.030 1.00 72.54 H new ATOM 0 HE2 MET A 105 -7.991 3.014 2.694 1.00 72.54 H new ATOM 0 HE3 MET A 105 -6.926 4.398 2.350 1.00 72.54 H new ATOM 1693 N GLU A 106 -10.220 7.220 -1.290 1.00 63.50 N ATOM 1694 CA GLU A 106 -9.425 8.275 -1.908 1.00 33.31 C ATOM 1695 C GLU A 106 -8.962 9.288 -0.865 1.00 64.04 C ATOM 1696 O GLU A 106 -9.749 10.104 -0.385 1.00 4.41 O ATOM 1697 CB GLU A 106 -10.235 8.981 -2.997 1.00 45.44 C ATOM 1698 CG GLU A 106 -9.411 9.365 -4.215 1.00 42.12 C ATOM 1699 CD GLU A 106 -10.060 10.462 -5.037 1.00 33.32 C ATOM 1700 OE1 GLU A 106 -11.226 10.285 -5.447 1.00 72.12 O ATOM 1701 OE2 GLU A 106 -9.402 11.497 -5.269 1.00 43.20 O ATOM 0 H GLU A 106 -10.962 7.555 -0.676 1.00 63.50 H new ATOM 0 HA GLU A 106 -8.545 7.816 -2.359 1.00 33.31 H new ATOM 0 HB2 GLU A 106 -11.051 8.330 -3.311 1.00 45.44 H new ATOM 0 HB3 GLU A 106 -10.688 9.879 -2.577 1.00 45.44 H new ATOM 0 HG2 GLU A 106 -8.424 9.694 -3.892 1.00 42.12 H new ATOM 0 HG3 GLU A 106 -9.264 8.485 -4.842 1.00 42.12 H new ATOM 1708 N CYS A 107 -7.680 9.229 -0.520 1.00 72.55 N ATOM 1709 CA CYS A 107 -7.111 10.140 0.466 1.00 21.42 C ATOM 1710 C CYS A 107 -5.618 10.337 0.226 1.00 42.31 C ATOM 1711 O CYS A 107 -5.038 9.731 -0.674 1.00 41.30 O ATOM 1712 CB CYS A 107 -7.346 9.605 1.880 1.00 50.42 C ATOM 1713 SG CYS A 107 -8.928 10.101 2.603 1.00 64.34 S ATOM 0 H CYS A 107 -7.016 8.560 -0.909 1.00 72.55 H new ATOM 0 HA CYS A 107 -7.608 11.105 0.363 1.00 21.42 H new ATOM 0 HB2 CYS A 107 -7.294 8.516 1.858 1.00 50.42 H new ATOM 0 HB3 CYS A 107 -6.539 9.950 2.526 1.00 50.42 H new ATOM 0 HG CYS A 107 -9.818 10.214 1.663 1.00 64.34 H new ATOM 1719 N GLY A 108 -5.001 11.192 1.037 1.00 70.22 N ATOM 1720 CA GLY A 108 -3.581 11.456 0.895 1.00 71.21 C ATOM 1721 C GLY A 108 -3.291 12.525 -0.139 1.00 42.34 C ATOM 1722 O GLY A 108 -4.206 13.055 -0.768 1.00 75.45 O ATOM 0 H GLY A 108 -5.459 11.706 1.789 1.00 70.22 H new ATOM 0 HA2 GLY A 108 -3.174 11.766 1.858 1.00 71.21 H new ATOM 0 HA3 GLY A 108 -3.070 10.535 0.614 1.00 71.21 H new ATOM 1726 N ALA A 109 -2.013 12.845 -0.315 1.00 1.32 N ATOM 1727 CA ALA A 109 -1.605 13.858 -1.280 1.00 4.30 C ATOM 1728 C ALA A 109 -0.847 13.232 -2.446 1.00 1.12 C ATOM 1729 O ALA A 109 -0.318 12.124 -2.350 1.00 51.34 O ATOM 1730 CB ALA A 109 -0.751 14.919 -0.602 1.00 44.40 C ATOM 0 H ALA A 109 -1.243 12.417 0.198 1.00 1.32 H new ATOM 0 HA ALA A 109 -2.504 14.330 -1.677 1.00 4.30 H new ATOM 0 HB1 ALA A 109 -0.453 15.669 -1.335 1.00 44.40 H new ATOM 0 HB2 ALA A 109 -1.325 15.395 0.192 1.00 44.40 H new ATOM 0 HB3 ALA A 109 0.138 14.453 -0.177 1.00 44.40 H new ATOM 1736 N PRO A 110 -0.792 13.956 -3.574 1.00 33.50 N ATOM 1737 CA PRO A 110 -0.102 13.490 -4.780 1.00 64.12 C ATOM 1738 C PRO A 110 1.413 13.464 -4.607 1.00 42.14 C ATOM 1739 O PRO A 110 2.068 14.506 -4.631 1.00 11.41 O ATOM 1740 CB PRO A 110 -0.502 14.521 -5.838 1.00 45.23 C ATOM 1741 CG PRO A 110 -0.821 15.753 -5.065 1.00 0.55 C ATOM 1742 CD PRO A 110 -1.400 15.284 -3.759 1.00 31.04 C ATOM 0 HA PRO A 110 -0.376 12.467 -5.037 1.00 64.12 H new ATOM 0 HB2 PRO A 110 0.308 14.696 -6.546 1.00 45.23 H new ATOM 0 HB3 PRO A 110 -1.362 14.182 -6.416 1.00 45.23 H new ATOM 0 HG2 PRO A 110 0.074 16.354 -4.902 1.00 0.55 H new ATOM 0 HG3 PRO A 110 -1.532 16.379 -5.604 1.00 0.55 H new ATOM 0 HD2 PRO A 110 -1.147 15.959 -2.942 1.00 31.04 H new ATOM 0 HD3 PRO A 110 -2.488 15.226 -3.799 1.00 31.04 H new ATOM 1750 N ARG A 111 1.964 12.267 -4.434 1.00 41.12 N ATOM 1751 CA ARG A 111 3.402 12.106 -4.257 1.00 2.33 C ATOM 1752 C ARG A 111 4.146 12.391 -5.558 1.00 52.14 C ATOM 1753 O ARG A 111 3.590 12.246 -6.647 1.00 51.10 O ATOM 1754 CB ARG A 111 3.723 10.691 -3.773 1.00 32.11 C ATOM 1755 CG ARG A 111 3.592 10.517 -2.269 1.00 1.35 C ATOM 1756 CD ARG A 111 4.905 10.809 -1.558 1.00 74.20 C ATOM 1757 NE ARG A 111 5.411 12.143 -1.869 1.00 13.11 N ATOM 1758 CZ ARG A 111 4.979 13.250 -1.275 1.00 34.23 C ATOM 1759 NH1 ARG A 111 4.038 13.182 -0.343 1.00 73.10 N ATOM 1760 NH2 ARG A 111 5.488 14.428 -1.612 1.00 22.41 N ATOM 0 H ARG A 111 1.436 11.394 -4.413 1.00 41.12 H new ATOM 0 HA ARG A 111 3.732 12.823 -3.506 1.00 2.33 H new ATOM 0 HB2 ARG A 111 3.057 9.986 -4.271 1.00 32.11 H new ATOM 0 HB3 ARG A 111 4.739 10.436 -4.073 1.00 32.11 H new ATOM 0 HG2 ARG A 111 2.816 11.183 -1.891 1.00 1.35 H new ATOM 0 HG3 ARG A 111 3.275 9.498 -2.046 1.00 1.35 H new ATOM 0 HD2 ARG A 111 4.762 10.717 -0.481 1.00 74.20 H new ATOM 0 HD3 ARG A 111 5.647 10.064 -1.846 1.00 74.20 H new ATOM 0 HE ARG A 111 6.136 12.230 -2.581 1.00 13.11 H new ATOM 0 HH11 ARG A 111 3.644 12.278 -0.081 1.00 73.10 H new ATOM 0 HH12 ARG A 111 3.708 14.033 0.112 1.00 73.10 H new ATOM 0 HH21 ARG A 111 6.212 14.485 -2.328 1.00 22.41 H new ATOM 0 HH22 ARG A 111 5.155 15.277 -1.155 1.00 22.41 H new ATOM 1774 N SER A 112 5.406 12.797 -5.437 1.00 54.55 N ATOM 1775 CA SER A 112 6.224 13.107 -6.604 1.00 22.11 C ATOM 1776 C SER A 112 7.700 13.188 -6.226 1.00 1.13 C ATOM 1777 O SER A 112 8.044 13.546 -5.100 1.00 14.34 O ATOM 1778 CB SER A 112 5.774 14.426 -7.234 1.00 1.53 C ATOM 1779 OG SER A 112 5.843 14.366 -8.648 1.00 4.52 O ATOM 0 H SER A 112 5.882 12.919 -4.543 1.00 54.55 H new ATOM 0 HA SER A 112 6.096 12.304 -7.330 1.00 22.11 H new ATOM 0 HB2 SER A 112 4.753 14.650 -6.926 1.00 1.53 H new ATOM 0 HB3 SER A 112 6.402 15.239 -6.870 1.00 1.53 H new ATOM 0 HG SER A 112 5.549 15.221 -9.026 1.00 4.52 H new ATOM 1785 N GLN A 113 8.567 12.853 -7.175 1.00 61.35 N ATOM 1786 CA GLN A 113 10.006 12.887 -6.942 1.00 61.32 C ATOM 1787 C GLN A 113 10.737 13.491 -8.137 1.00 0.15 C ATOM 1788 O GLN A 113 10.201 13.545 -9.243 1.00 1.24 O ATOM 1789 CB GLN A 113 10.533 11.477 -6.667 1.00 11.34 C ATOM 1790 CG GLN A 113 9.822 10.775 -5.521 1.00 55.12 C ATOM 1791 CD GLN A 113 10.455 9.444 -5.169 1.00 62.45 C ATOM 1792 OE1 GLN A 113 10.352 8.475 -5.923 1.00 54.31 O ATOM 1793 NE2 GLN A 113 11.117 9.388 -4.019 1.00 73.14 N ATOM 0 H GLN A 113 8.298 12.555 -8.113 1.00 61.35 H new ATOM 0 HA GLN A 113 10.193 13.514 -6.070 1.00 61.32 H new ATOM 0 HB2 GLN A 113 10.429 10.876 -7.571 1.00 11.34 H new ATOM 0 HB3 GLN A 113 11.598 11.533 -6.443 1.00 11.34 H new ATOM 0 HG2 GLN A 113 9.831 11.421 -4.643 1.00 55.12 H new ATOM 0 HG3 GLN A 113 8.777 10.617 -5.789 1.00 55.12 H new ATOM 0 HE21 GLN A 113 11.178 10.215 -3.425 1.00 73.14 H new ATOM 0 HE22 GLN A 113 11.565 8.518 -3.730 1.00 73.14 H new ATOM 1802 N GLY A 114 11.965 13.945 -7.905 1.00 1.22 N ATOM 1803 CA GLY A 114 12.749 14.540 -8.971 1.00 44.30 C ATOM 1804 C GLY A 114 13.786 15.517 -8.452 1.00 65.44 C ATOM 1805 O GLY A 114 13.566 16.727 -8.459 1.00 52.25 O ATOM 0 H GLY A 114 12.431 13.911 -6.998 1.00 1.22 H new ATOM 0 HA2 GLY A 114 13.247 13.752 -9.535 1.00 44.30 H new ATOM 0 HA3 GLY A 114 12.083 15.055 -9.663 1.00 44.30 H new ATOM 1809 N GLN A 115 14.919 14.989 -8.000 1.00 45.11 N ATOM 1810 CA GLN A 115 15.993 15.823 -7.473 1.00 41.32 C ATOM 1811 C GLN A 115 16.730 16.538 -8.601 1.00 25.02 C ATOM 1812 O GLN A 115 16.561 17.741 -8.802 1.00 75.53 O ATOM 1813 CB GLN A 115 16.975 14.976 -6.662 1.00 70.35 C ATOM 1814 CG GLN A 115 16.612 14.865 -5.190 1.00 41.54 C ATOM 1815 CD GLN A 115 16.623 16.207 -4.485 1.00 0.14 C ATOM 1816 OE1 GLN A 115 15.625 16.928 -4.482 1.00 10.30 O ATOM 1817 NE2 GLN A 115 17.755 16.549 -3.880 1.00 51.34 N ATOM 0 H GLN A 115 15.117 13.988 -7.988 1.00 45.11 H new ATOM 0 HA GLN A 115 15.548 16.574 -6.820 1.00 41.32 H new ATOM 0 HB2 GLN A 115 17.021 13.976 -7.093 1.00 70.35 H new ATOM 0 HB3 GLN A 115 17.972 15.407 -6.750 1.00 70.35 H new ATOM 0 HG2 GLN A 115 15.623 14.417 -5.096 1.00 41.54 H new ATOM 0 HG3 GLN A 115 17.314 14.193 -4.696 1.00 41.54 H new ATOM 0 HE21 GLN A 115 18.558 15.921 -3.908 1.00 51.34 H new ATOM 0 HE22 GLN A 115 17.821 17.440 -3.388 1.00 51.34 H new ATOM 1826 N ARG A 116 17.550 15.790 -9.333 1.00 12.14 N ATOM 1827 CA ARG A 116 18.315 16.353 -10.439 1.00 35.10 C ATOM 1828 C ARG A 116 17.662 16.018 -11.777 1.00 13.11 C ATOM 1829 O ARG A 116 17.528 14.849 -12.138 1.00 61.20 O ATOM 1830 CB ARG A 116 19.751 15.826 -10.414 1.00 54.42 C ATOM 1831 CG ARG A 116 20.798 16.903 -10.648 1.00 21.23 C ATOM 1832 CD ARG A 116 22.191 16.413 -10.283 1.00 51.14 C ATOM 1833 NE ARG A 116 22.874 15.809 -11.424 1.00 5.11 N ATOM 1834 CZ ARG A 116 23.431 16.512 -12.404 1.00 12.31 C ATOM 1835 NH1 ARG A 116 23.385 17.837 -12.382 1.00 50.22 N ATOM 1836 NH2 ARG A 116 24.035 15.890 -13.408 1.00 41.22 N ATOM 0 H ARG A 116 17.701 14.793 -9.180 1.00 12.14 H new ATOM 0 HA ARG A 116 18.331 17.437 -10.323 1.00 35.10 H new ATOM 0 HB2 ARG A 116 19.939 15.352 -9.451 1.00 54.42 H new ATOM 0 HB3 ARG A 116 19.859 15.054 -11.176 1.00 54.42 H new ATOM 0 HG2 ARG A 116 20.781 17.208 -11.694 1.00 21.23 H new ATOM 0 HG3 ARG A 116 20.554 17.784 -10.055 1.00 21.23 H new ATOM 0 HD2 ARG A 116 22.782 17.248 -9.907 1.00 51.14 H new ATOM 0 HD3 ARG A 116 22.119 15.684 -9.476 1.00 51.14 H new ATOM 0 HE ARG A 116 22.926 14.791 -11.471 1.00 5.11 H new ATOM 0 HH11 ARG A 116 22.921 18.318 -11.612 1.00 50.22 H new ATOM 0 HH12 ARG A 116 23.813 18.375 -13.135 1.00 50.22 H new ATOM 0 HH21 ARG A 116 24.072 14.871 -13.428 1.00 41.22 H new ATOM 0 HH22 ARG A 116 24.462 16.431 -14.160 1.00 41.22 H new TER 1850 ARG A 116