USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 87 THR OG1 : rot 180:sc= 0.322 USER MOD Set 1.2: A 90 SER OG : rot 174:sc= -2.75! USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 25 TYR OH : rot 27:sc= 1.42 USER MOD Set 2.3: A 48 HIS : no HE2:sc= -0.776 K(o=0.3,f=-5.7!) USER MOD Set 2.4: A 82 THR OG1 : rot -144:sc= -0.349 USER MOD Set 3.1: A 73 TYR OH : rot 70:sc= 2.23 USER MOD Set 3.2: A 115 TYR OH : rot -150:sc= 0.929 USER MOD Set 4.1: A 30 MET CE :methyl 147:sc= -0.209 (180deg=-0.981) USER MOD Set 4.2: A 44 ASN : amide:sc= -2.05 K(o=-2.3,f=-5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc=0.000256 X(o=0.00026,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-3.9!) USER MOD Single : A 13 MET CE :methyl -164:sc= -3.99! (180deg=-5.59!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.462 USER MOD Single : A 20 SER OG : rot -57:sc= 0.234 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 27 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.4!) USER MOD Single : A 28 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.27) USER MOD Single : A 29 MET CE :methyl -124:sc= -0.511 (180deg=-1.01) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -164:sc= -1.6 (180deg=-2.74!) USER MOD Single : A 36 THR OG1 : rot 160:sc=-0.00617 USER MOD Single : A 37 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= -0.135 (180deg=-0.632) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -7.2! K(o=-7.2!,f=-2.9) USER MOD Single : A 56 ASN : amide:sc= -0.163 K(o=-0.16,f=-1) USER MOD Single : A 60 GLN : amide:sc= -2.02! K(o=-2!,f=-0.98) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0362 K(o=-0.036,f=-0.7) USER MOD Single : A 69 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 71 ASN : amide:sc= -6.54! C(o=-6.5!,f=-5.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 109:sc= 1.26 USER MOD Single : A 76 ASN : amide:sc= -2.81! K(o=-2.8!,f=-1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -173:sc= -0.922 (180deg=-1.13) USER MOD Single : A 80 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.05) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.998 X(o=-1,f=-1.1) USER MOD Single : A 97 TYR OH : rot 30:sc= -0.721 USER MOD Single : A 99 THR OG1 : rot 150:sc= 1.65 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -2! K(o=-2!,f=-0.35) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-4.1!) USER MOD Single : A 123 SER OG : rot 44:sc= 0.06 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.068 -0.465 -6.910 1.00 3.22 N ATOM 50 CA ARG A 4 -6.156 -1.413 -7.118 1.00 2.51 C ATOM 51 C ARG A 4 -5.984 -2.156 -8.439 1.00 63.31 C ATOM 52 O ARG A 4 -6.019 -3.386 -8.480 1.00 3.32 O ATOM 53 CB ARG A 4 -7.503 -0.687 -7.100 1.00 64.33 C ATOM 54 CG ARG A 4 -8.695 -1.613 -7.278 1.00 51.22 C ATOM 55 CD ARG A 4 -9.991 -0.940 -6.853 1.00 22.13 C ATOM 56 NE ARG A 4 -10.340 -1.250 -5.469 1.00 60.50 N ATOM 57 CZ ARG A 4 -11.431 -0.791 -4.866 1.00 24.34 C ATOM 58 NH1 ARG A 4 -12.274 -0.006 -5.521 1.00 40.20 N ATOM 59 NH2 ARG A 4 -11.680 -1.118 -3.604 1.00 22.31 N ATOM 0 HA ARG A 4 -6.132 -2.140 -6.306 1.00 2.51 H new ATOM 0 HB2 ARG A 4 -7.606 -0.153 -6.155 1.00 64.33 H new ATOM 0 HB3 ARG A 4 -7.514 0.062 -7.892 1.00 64.33 H new ATOM 0 HG2 ARG A 4 -8.767 -1.918 -8.322 1.00 51.22 H new ATOM 0 HG3 ARG A 4 -8.544 -2.519 -6.691 1.00 51.22 H new ATOM 0 HD2 ARG A 4 -9.894 0.139 -6.969 1.00 22.13 H new ATOM 0 HD3 ARG A 4 -10.799 -1.260 -7.511 1.00 22.13 H new ATOM 0 HE ARG A 4 -9.712 -1.852 -4.936 1.00 60.50 H new ATOM 0 HH11 ARG A 4 -12.086 0.247 -6.491 1.00 40.20 H new ATOM 0 HH12 ARG A 4 -13.111 0.345 -5.055 1.00 40.20 H new ATOM 0 HH21 ARG A 4 -11.033 -1.722 -3.097 1.00 22.31 H new ATOM 0 HH22 ARG A 4 -12.518 -0.765 -3.142 1.00 22.31 H new ATOM 73 N ALA A 5 -5.798 -1.402 -9.517 1.00 54.43 N ATOM 74 CA ALA A 5 -5.619 -1.989 -10.839 1.00 55.02 C ATOM 75 C ALA A 5 -4.698 -3.202 -10.781 1.00 24.22 C ATOM 76 O ALA A 5 -4.865 -4.160 -11.537 1.00 11.53 O ATOM 77 CB ALA A 5 -5.070 -0.952 -11.807 1.00 64.04 C ATOM 0 H ALA A 5 -5.767 -0.383 -9.501 1.00 54.43 H new ATOM 0 HA ALA A 5 -6.593 -2.323 -11.196 1.00 55.02 H new ATOM 0 HB1 ALA A 5 -4.941 -1.404 -12.790 1.00 64.04 H new ATOM 0 HB2 ALA A 5 -5.767 -0.117 -11.880 1.00 64.04 H new ATOM 0 HB3 ALA A 5 -4.108 -0.590 -11.445 1.00 64.04 H new ATOM 83 N LYS A 6 -3.723 -3.156 -9.879 1.00 1.10 N ATOM 84 CA LYS A 6 -2.774 -4.251 -9.721 1.00 24.23 C ATOM 85 C LYS A 6 -3.500 -5.570 -9.479 1.00 72.44 C ATOM 86 O LYS A 6 -3.161 -6.595 -10.071 1.00 71.51 O ATOM 87 CB LYS A 6 -1.819 -3.963 -8.560 1.00 13.53 C ATOM 88 CG LYS A 6 -0.352 -4.066 -8.938 1.00 40.44 C ATOM 89 CD LYS A 6 0.065 -5.509 -9.166 1.00 1.10 C ATOM 90 CE LYS A 6 1.406 -5.596 -9.879 1.00 53.12 C ATOM 91 NZ LYS A 6 2.526 -5.135 -9.013 1.00 12.11 N ATOM 0 H LYS A 6 -3.570 -2.371 -9.246 1.00 1.10 H new ATOM 0 HA LYS A 6 -2.200 -4.336 -10.644 1.00 24.23 H new ATOM 0 HB2 LYS A 6 -2.017 -2.962 -8.178 1.00 13.53 H new ATOM 0 HB3 LYS A 6 -2.026 -4.661 -7.749 1.00 13.53 H new ATOM 0 HG2 LYS A 6 -0.167 -3.486 -9.842 1.00 40.44 H new ATOM 0 HG3 LYS A 6 0.260 -3.630 -8.148 1.00 40.44 H new ATOM 0 HD2 LYS A 6 0.127 -6.027 -8.209 1.00 1.10 H new ATOM 0 HD3 LYS A 6 -0.696 -6.020 -9.756 1.00 1.10 H new ATOM 0 HE2 LYS A 6 1.586 -6.625 -10.189 1.00 53.12 H new ATOM 0 HE3 LYS A 6 1.375 -4.991 -10.785 1.00 53.12 H new ATOM 0 HZ1 LYS A 6 3.422 -5.210 -9.535 1.00 12.11 H new ATOM 0 HZ2 LYS A 6 2.367 -4.145 -8.738 1.00 12.11 H new ATOM 0 HZ3 LYS A 6 2.572 -5.728 -8.160 1.00 12.11 H new ATOM 105 N LYS A 7 -4.502 -5.538 -8.608 1.00 14.34 N ATOM 106 CA LYS A 7 -5.280 -6.730 -8.290 1.00 3.45 C ATOM 107 C LYS A 7 -5.888 -7.335 -9.551 1.00 22.14 C ATOM 108 O LYS A 7 -5.942 -8.556 -9.701 1.00 54.10 O ATOM 109 CB LYS A 7 -6.387 -6.390 -7.289 1.00 42.42 C ATOM 110 CG LYS A 7 -5.895 -6.260 -5.858 1.00 44.31 C ATOM 111 CD LYS A 7 -5.800 -4.805 -5.431 1.00 13.41 C ATOM 112 CE LYS A 7 -6.733 -4.504 -4.268 1.00 12.41 C ATOM 113 NZ LYS A 7 -6.153 -3.495 -3.338 1.00 55.25 N ATOM 0 H LYS A 7 -4.795 -4.698 -8.109 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.608 -7.463 -7.844 1.00 3.45 H new ATOM 0 HB2 LYS A 7 -6.861 -5.455 -7.588 1.00 42.42 H new ATOM 0 HB3 LYS A 7 -7.154 -7.163 -7.332 1.00 42.42 H new ATOM 0 HG2 LYS A 7 -6.572 -6.793 -5.190 1.00 44.31 H new ATOM 0 HG3 LYS A 7 -4.917 -6.732 -5.764 1.00 44.31 H new ATOM 0 HD2 LYS A 7 -4.774 -4.575 -5.145 1.00 13.41 H new ATOM 0 HD3 LYS A 7 -6.048 -4.160 -6.274 1.00 13.41 H new ATOM 0 HE2 LYS A 7 -7.686 -4.139 -4.652 1.00 12.41 H new ATOM 0 HE3 LYS A 7 -6.941 -5.424 -3.722 1.00 12.41 H new ATOM 0 HZ1 LYS A 7 -6.819 -3.317 -2.559 1.00 55.25 H new ATOM 0 HZ2 LYS A 7 -5.256 -3.854 -2.952 1.00 55.25 H new ATOM 0 HZ3 LYS A 7 -5.978 -2.608 -3.853 1.00 55.25 H new ATOM 127 N PHE A 8 -6.343 -6.474 -10.455 1.00 23.11 N ATOM 128 CA PHE A 8 -6.947 -6.925 -11.703 1.00 45.45 C ATOM 129 C PHE A 8 -5.938 -7.699 -12.547 1.00 32.32 C ATOM 130 O PHE A 8 -6.231 -8.790 -13.036 1.00 54.21 O ATOM 131 CB PHE A 8 -7.481 -5.730 -12.496 1.00 44.05 C ATOM 132 CG PHE A 8 -7.851 -6.068 -13.912 1.00 52.33 C ATOM 133 CD1 PHE A 8 -9.022 -6.754 -14.191 1.00 32.11 C ATOM 134 CD2 PHE A 8 -7.029 -5.698 -14.965 1.00 31.44 C ATOM 135 CE1 PHE A 8 -9.365 -7.067 -15.493 1.00 10.22 C ATOM 136 CE2 PHE A 8 -7.367 -6.008 -16.269 1.00 1.14 C ATOM 137 CZ PHE A 8 -8.537 -6.692 -16.533 1.00 31.20 C ATOM 0 H PHE A 8 -6.305 -5.460 -10.347 1.00 23.11 H new ATOM 0 HA PHE A 8 -7.775 -7.590 -11.458 1.00 45.45 H new ATOM 0 HB2 PHE A 8 -8.356 -5.328 -11.986 1.00 44.05 H new ATOM 0 HB3 PHE A 8 -6.727 -4.943 -12.504 1.00 44.05 H new ATOM 0 HD1 PHE A 8 -9.674 -7.048 -13.382 1.00 32.11 H new ATOM 0 HD2 PHE A 8 -6.114 -5.161 -14.764 1.00 31.44 H new ATOM 0 HE1 PHE A 8 -10.279 -7.604 -15.697 1.00 10.22 H new ATOM 0 HE2 PHE A 8 -6.717 -5.716 -17.080 1.00 1.14 H new ATOM 0 HZ PHE A 8 -8.804 -6.933 -17.551 1.00 31.20 H new ATOM 147 N GLN A 9 -4.750 -7.127 -12.712 1.00 51.20 N ATOM 148 CA GLN A 9 -3.699 -7.763 -13.497 1.00 42.32 C ATOM 149 C GLN A 9 -3.372 -9.148 -12.948 1.00 44.44 C ATOM 150 O GLN A 9 -3.635 -10.161 -13.596 1.00 43.24 O ATOM 151 CB GLN A 9 -2.441 -6.893 -13.503 1.00 45.00 C ATOM 152 CG GLN A 9 -2.549 -5.672 -14.403 1.00 23.52 C ATOM 153 CD GLN A 9 -2.462 -4.370 -13.632 1.00 41.23 C ATOM 154 OE1 GLN A 9 -1.617 -4.212 -12.750 1.00 52.13 O ATOM 155 NE2 GLN A 9 -3.337 -3.427 -13.962 1.00 34.32 N ATOM 0 H GLN A 9 -4.491 -6.225 -12.313 1.00 51.20 H new ATOM 0 HA GLN A 9 -4.060 -7.874 -14.519 1.00 42.32 H new ATOM 0 HB2 GLN A 9 -2.231 -6.566 -12.485 1.00 45.00 H new ATOM 0 HB3 GLN A 9 -1.593 -7.497 -13.825 1.00 45.00 H new ATOM 0 HG2 GLN A 9 -1.754 -5.703 -15.148 1.00 23.52 H new ATOM 0 HG3 GLN A 9 -3.494 -5.707 -14.944 1.00 23.52 H new ATOM 0 HE21 GLN A 9 -4.020 -3.601 -14.699 1.00 34.32 H new ATOM 0 HE22 GLN A 9 -3.326 -2.529 -13.478 1.00 34.32 H new ATOM 164 N ARG A 10 -2.796 -9.183 -11.751 1.00 70.31 N ATOM 165 CA ARG A 10 -2.431 -10.444 -11.116 1.00 13.10 C ATOM 166 C ARG A 10 -3.582 -11.443 -11.191 1.00 20.23 C ATOM 167 O ARG A 10 -3.379 -12.649 -11.048 1.00 13.44 O ATOM 168 CB ARG A 10 -2.039 -10.209 -9.656 1.00 33.30 C ATOM 169 CG ARG A 10 -0.609 -10.612 -9.337 1.00 62.21 C ATOM 170 CD ARG A 10 -0.419 -10.862 -7.849 1.00 60.12 C ATOM 171 NE ARG A 10 0.503 -11.966 -7.593 1.00 15.33 N ATOM 172 CZ ARG A 10 0.853 -12.362 -6.374 1.00 65.14 C ATOM 173 NH1 ARG A 10 0.362 -11.749 -5.307 1.00 11.52 N ATOM 174 NH2 ARG A 10 1.697 -13.375 -6.222 1.00 44.43 N ATOM 0 H ARG A 10 -2.572 -8.353 -11.202 1.00 70.31 H new ATOM 0 HA ARG A 10 -1.577 -10.859 -11.652 1.00 13.10 H new ATOM 0 HB2 ARG A 10 -2.172 -9.154 -9.418 1.00 33.30 H new ATOM 0 HB3 ARG A 10 -2.717 -10.768 -9.012 1.00 33.30 H new ATOM 0 HG2 ARG A 10 -0.351 -11.513 -9.894 1.00 62.21 H new ATOM 0 HG3 ARG A 10 0.073 -9.828 -9.665 1.00 62.21 H new ATOM 0 HD2 ARG A 10 -0.041 -9.956 -7.375 1.00 60.12 H new ATOM 0 HD3 ARG A 10 -1.384 -11.082 -7.392 1.00 60.12 H new ATOM 0 HE ARG A 10 0.899 -12.459 -8.393 1.00 15.33 H new ATOM 0 HH11 ARG A 10 -0.287 -10.970 -5.420 1.00 11.52 H new ATOM 0 HH12 ARG A 10 0.633 -12.056 -4.373 1.00 11.52 H new ATOM 0 HH21 ARG A 10 2.077 -13.850 -7.041 1.00 44.43 H new ATOM 0 HH22 ARG A 10 1.966 -13.679 -5.286 1.00 44.43 H new ATOM 188 N GLN A 11 -4.789 -10.933 -11.415 1.00 5.11 N ATOM 189 CA GLN A 11 -5.971 -11.781 -11.507 1.00 50.12 C ATOM 190 C GLN A 11 -6.077 -12.418 -12.889 1.00 33.54 C ATOM 191 O GLN A 11 -5.990 -13.639 -13.029 1.00 13.21 O ATOM 192 CB GLN A 11 -7.232 -10.968 -11.209 1.00 51.03 C ATOM 193 CG GLN A 11 -7.965 -11.420 -9.957 1.00 14.23 C ATOM 194 CD GLN A 11 -9.279 -10.690 -9.754 1.00 64.00 C ATOM 195 OE1 GLN A 11 -10.349 -11.300 -9.763 1.00 5.53 O ATOM 196 NE2 GLN A 11 -9.204 -9.377 -9.570 1.00 33.12 N ATOM 0 H GLN A 11 -4.974 -9.937 -11.536 1.00 5.11 H new ATOM 0 HA GLN A 11 -5.876 -12.576 -10.767 1.00 50.12 H new ATOM 0 HB2 GLN A 11 -6.960 -9.918 -11.102 1.00 51.03 H new ATOM 0 HB3 GLN A 11 -7.908 -11.037 -12.061 1.00 51.03 H new ATOM 0 HG2 GLN A 11 -8.155 -12.492 -10.019 1.00 14.23 H new ATOM 0 HG3 GLN A 11 -7.326 -11.259 -9.089 1.00 14.23 H new ATOM 0 HE21 GLN A 11 -8.296 -8.913 -9.570 1.00 33.12 H new ATOM 0 HE22 GLN A 11 -10.055 -8.832 -9.429 1.00 33.12 H new ATOM 205 N HIS A 12 -6.266 -11.585 -13.907 1.00 13.13 N ATOM 206 CA HIS A 12 -6.384 -12.068 -15.278 1.00 53.41 C ATOM 207 C HIS A 12 -5.054 -11.942 -16.014 1.00 60.35 C ATOM 208 O HIS A 12 -4.553 -12.914 -16.580 1.00 53.45 O ATOM 209 CB HIS A 12 -7.469 -11.289 -16.024 1.00 5.14 C ATOM 210 CG HIS A 12 -8.707 -11.060 -15.212 1.00 45.23 C ATOM 211 ND1 HIS A 12 -9.798 -11.901 -15.251 1.00 73.24 N ATOM 212 CD2 HIS A 12 -9.021 -10.078 -14.336 1.00 13.24 C ATOM 213 CE1 HIS A 12 -10.732 -11.446 -14.435 1.00 42.42 C ATOM 214 NE2 HIS A 12 -10.285 -10.340 -13.867 1.00 30.33 N ATOM 0 H HIS A 12 -6.341 -10.573 -13.809 1.00 13.13 H new ATOM 0 HA HIS A 12 -6.662 -13.121 -15.244 1.00 53.41 H new ATOM 0 HB2 HIS A 12 -7.065 -10.326 -16.335 1.00 5.14 H new ATOM 0 HB3 HIS A 12 -7.735 -11.831 -16.932 1.00 5.14 H new ATOM 0 HD2 HIS A 12 -8.394 -9.244 -14.057 1.00 13.24 H new ATOM 0 HE1 HIS A 12 -11.696 -11.900 -14.262 1.00 42.42 H new ATOM 0 HE2 HIS A 12 -10.796 -9.773 -13.190 1.00 30.33 H new ATOM 222 N MET A 13 -4.488 -10.740 -16.003 1.00 62.01 N ATOM 223 CA MET A 13 -3.215 -10.489 -16.670 1.00 13.33 C ATOM 224 C MET A 13 -2.162 -11.500 -16.230 1.00 21.42 C ATOM 225 O MET A 13 -1.594 -11.386 -15.143 1.00 61.45 O ATOM 226 CB MET A 13 -2.731 -9.068 -16.372 1.00 20.31 C ATOM 227 CG MET A 13 -3.680 -7.987 -16.863 1.00 20.21 C ATOM 228 SD MET A 13 -3.617 -7.767 -18.651 1.00 61.54 S ATOM 229 CE MET A 13 -1.860 -7.525 -18.901 1.00 61.40 C ATOM 0 H MET A 13 -4.890 -9.925 -15.540 1.00 62.01 H new ATOM 0 HA MET A 13 -3.368 -10.596 -17.744 1.00 13.33 H new ATOM 0 HB2 MET A 13 -2.593 -8.958 -15.296 1.00 20.31 H new ATOM 0 HB3 MET A 13 -1.755 -8.921 -16.835 1.00 20.31 H new ATOM 0 HG2 MET A 13 -4.698 -8.241 -16.568 1.00 20.21 H new ATOM 0 HG3 MET A 13 -3.433 -7.044 -16.376 1.00 20.21 H new ATOM 0 HE1 MET A 13 -1.688 -7.099 -19.890 1.00 61.40 H new ATOM 0 HE2 MET A 13 -1.475 -6.845 -18.141 1.00 61.40 H new ATOM 0 HE3 MET A 13 -1.346 -8.483 -18.824 1.00 61.40 H new ATOM 239 N ASP A 14 -1.906 -12.489 -17.079 1.00 75.04 N ATOM 240 CA ASP A 14 -0.920 -13.520 -16.778 1.00 75.43 C ATOM 241 C ASP A 14 0.216 -13.499 -17.796 1.00 20.33 C ATOM 242 O ASP A 14 0.969 -14.465 -17.920 1.00 4.23 O ATOM 243 CB ASP A 14 -1.582 -14.899 -16.763 1.00 21.45 C ATOM 244 CG ASP A 14 -0.856 -15.880 -15.863 1.00 5.33 C ATOM 245 OD1 ASP A 14 0.168 -16.443 -16.304 1.00 32.03 O ATOM 246 OD2 ASP A 14 -1.311 -16.084 -14.718 1.00 22.33 O ATOM 0 H ASP A 14 -2.368 -12.598 -17.982 1.00 75.04 H new ATOM 0 HA ASP A 14 -0.504 -13.314 -15.792 1.00 75.43 H new ATOM 0 HB2 ASP A 14 -2.615 -14.799 -16.429 1.00 21.45 H new ATOM 0 HB3 ASP A 14 -1.612 -15.295 -17.778 1.00 21.45 H new ATOM 251 N SER A 15 0.332 -12.392 -18.522 1.00 64.55 N ATOM 252 CA SER A 15 1.374 -12.247 -19.533 1.00 32.42 C ATOM 253 C SER A 15 2.642 -12.986 -19.116 1.00 0.13 C ATOM 254 O SER A 15 3.352 -13.545 -19.952 1.00 52.43 O ATOM 255 CB SER A 15 1.685 -10.768 -19.766 1.00 50.22 C ATOM 256 OG SER A 15 1.856 -10.083 -18.538 1.00 1.35 O ATOM 0 H SER A 15 -0.282 -11.583 -18.430 1.00 64.55 H new ATOM 0 HA SER A 15 1.008 -12.685 -20.462 1.00 32.42 H new ATOM 0 HB2 SER A 15 2.589 -10.674 -20.367 1.00 50.22 H new ATOM 0 HB3 SER A 15 0.876 -10.308 -20.333 1.00 50.22 H new ATOM 0 HG SER A 15 2.056 -9.140 -18.715 1.00 1.35 H new ATOM 262 N ASP A 16 2.920 -12.984 -17.817 1.00 1.52 N ATOM 263 CA ASP A 16 4.102 -13.654 -17.287 1.00 11.44 C ATOM 264 C ASP A 16 4.296 -15.016 -17.945 1.00 53.25 C ATOM 265 O ASP A 16 5.292 -15.249 -18.630 1.00 75.14 O ATOM 266 CB ASP A 16 3.984 -13.819 -15.771 1.00 12.33 C ATOM 267 CG ASP A 16 3.917 -12.488 -15.047 1.00 33.21 C ATOM 268 OD1 ASP A 16 2.809 -11.918 -14.955 1.00 65.42 O ATOM 269 OD2 ASP A 16 4.972 -12.016 -14.573 1.00 34.30 O ATOM 0 H ASP A 16 2.343 -12.526 -17.112 1.00 1.52 H new ATOM 0 HA ASP A 16 4.971 -13.035 -17.511 1.00 11.44 H new ATOM 0 HB2 ASP A 16 3.091 -14.400 -15.540 1.00 12.33 H new ATOM 0 HB3 ASP A 16 4.838 -14.387 -15.403 1.00 12.33 H new ATOM 274 N SER A 17 3.338 -15.912 -17.733 1.00 35.14 N ATOM 275 CA SER A 17 3.405 -17.253 -18.302 1.00 22.14 C ATOM 276 C SER A 17 3.394 -17.197 -19.826 1.00 63.52 C ATOM 277 O SER A 17 3.032 -16.181 -20.419 1.00 33.32 O ATOM 278 CB SER A 17 2.234 -18.101 -17.803 1.00 31.45 C ATOM 279 OG SER A 17 2.626 -19.449 -17.609 1.00 64.32 O ATOM 0 H SER A 17 2.506 -15.734 -17.171 1.00 35.14 H new ATOM 0 HA SER A 17 4.340 -17.712 -17.979 1.00 22.14 H new ATOM 0 HB2 SER A 17 1.857 -17.690 -16.866 1.00 31.45 H new ATOM 0 HB3 SER A 17 1.416 -18.057 -18.523 1.00 31.45 H new ATOM 0 HG SER A 17 1.914 -19.933 -17.141 1.00 64.32 H new ATOM 285 N SER A 18 3.795 -18.298 -20.455 1.00 53.10 N ATOM 286 CA SER A 18 3.835 -18.375 -21.911 1.00 3.33 C ATOM 287 C SER A 18 2.615 -19.116 -22.450 1.00 5.32 C ATOM 288 O SER A 18 1.866 -19.752 -21.709 1.00 1.04 O ATOM 289 CB SER A 18 5.116 -19.075 -22.370 1.00 53.21 C ATOM 290 OG SER A 18 5.975 -18.174 -23.047 1.00 53.11 O ATOM 0 H SER A 18 4.097 -19.148 -19.979 1.00 53.10 H new ATOM 0 HA SER A 18 3.823 -17.359 -22.305 1.00 3.33 H new ATOM 0 HB2 SER A 18 5.633 -19.497 -21.508 1.00 53.21 H new ATOM 0 HB3 SER A 18 4.864 -19.906 -23.028 1.00 53.21 H new ATOM 0 HG SER A 18 6.787 -18.645 -23.329 1.00 53.11 H new ATOM 296 N PRO A 19 2.410 -19.032 -23.773 1.00 24.13 N ATOM 297 CA PRO A 19 1.283 -19.688 -24.442 1.00 65.31 C ATOM 298 C PRO A 19 1.425 -21.207 -24.461 1.00 13.50 C ATOM 299 O PRO A 19 2.235 -21.773 -23.728 1.00 63.21 O ATOM 300 CB PRO A 19 1.341 -19.128 -25.865 1.00 63.25 C ATOM 301 CG PRO A 19 2.766 -18.741 -26.063 1.00 24.53 C ATOM 302 CD PRO A 19 3.263 -18.291 -24.717 1.00 3.11 C ATOM 0 HA PRO A 19 0.339 -19.497 -23.932 1.00 65.31 H new ATOM 0 HB2 PRO A 19 1.028 -19.873 -26.596 1.00 63.25 H new ATOM 0 HB3 PRO A 19 0.678 -18.270 -25.980 1.00 63.25 H new ATOM 0 HG2 PRO A 19 3.351 -19.583 -26.434 1.00 24.53 H new ATOM 0 HG3 PRO A 19 2.855 -17.942 -26.799 1.00 24.53 H new ATOM 0 HD2 PRO A 19 4.317 -18.529 -24.578 1.00 3.11 H new ATOM 0 HD3 PRO A 19 3.160 -17.213 -24.591 1.00 3.11 H new ATOM 310 N SER A 20 0.631 -21.860 -25.304 1.00 2.31 N ATOM 311 CA SER A 20 0.666 -23.313 -25.416 1.00 32.25 C ATOM 312 C SER A 20 0.168 -23.969 -24.131 1.00 5.32 C ATOM 313 O SER A 20 0.801 -24.883 -23.602 1.00 41.30 O ATOM 314 CB SER A 20 2.086 -23.788 -25.727 1.00 63.21 C ATOM 315 OG SER A 20 2.100 -25.162 -26.074 1.00 21.24 O ATOM 0 H SER A 20 -0.044 -21.406 -25.919 1.00 2.31 H new ATOM 0 HA SER A 20 0.006 -23.606 -26.233 1.00 32.25 H new ATOM 0 HB2 SER A 20 2.499 -23.199 -26.546 1.00 63.21 H new ATOM 0 HB3 SER A 20 2.726 -23.622 -24.861 1.00 63.21 H new ATOM 0 HG SER A 20 1.700 -25.686 -25.349 1.00 21.24 H new ATOM 321 N SER A 21 -0.970 -23.494 -23.634 1.00 65.50 N ATOM 322 CA SER A 21 -1.551 -24.031 -22.409 1.00 52.31 C ATOM 323 C SER A 21 -2.774 -24.889 -22.719 1.00 24.53 C ATOM 324 O SER A 21 -3.858 -24.372 -22.984 1.00 54.14 O ATOM 325 CB SER A 21 -1.940 -22.893 -21.463 1.00 44.21 C ATOM 326 OG SER A 21 -1.035 -21.808 -21.572 1.00 42.32 O ATOM 0 H SER A 21 -1.507 -22.739 -24.060 1.00 65.50 H new ATOM 0 HA SER A 21 -0.802 -24.657 -21.925 1.00 52.31 H new ATOM 0 HB2 SER A 21 -2.950 -22.553 -21.694 1.00 44.21 H new ATOM 0 HB3 SER A 21 -1.953 -23.258 -20.436 1.00 44.21 H new ATOM 0 HG SER A 21 -1.306 -21.093 -20.959 1.00 42.32 H new ATOM 332 N SER A 22 -2.589 -26.205 -22.682 1.00 71.35 N ATOM 333 CA SER A 22 -3.675 -27.137 -22.963 1.00 20.43 C ATOM 334 C SER A 22 -3.971 -28.009 -21.746 1.00 3.33 C ATOM 335 O SER A 22 -5.126 -28.318 -21.456 1.00 74.53 O ATOM 336 CB SER A 22 -3.322 -28.019 -24.162 1.00 24.42 C ATOM 337 OG SER A 22 -2.063 -28.644 -23.982 1.00 25.33 O ATOM 0 H SER A 22 -1.698 -26.649 -22.460 1.00 71.35 H new ATOM 0 HA SER A 22 -4.567 -26.556 -23.198 1.00 20.43 H new ATOM 0 HB2 SER A 22 -4.092 -28.778 -24.298 1.00 24.42 H new ATOM 0 HB3 SER A 22 -3.305 -27.415 -25.069 1.00 24.42 H new ATOM 0 HG SER A 22 -1.861 -29.203 -24.761 1.00 25.33 H new ATOM 343 N SER A 23 -2.917 -28.401 -21.036 1.00 52.43 N ATOM 344 CA SER A 23 -3.062 -29.240 -19.852 1.00 50.54 C ATOM 345 C SER A 23 -3.773 -28.483 -18.734 1.00 74.25 C ATOM 346 O SER A 23 -4.273 -27.376 -18.937 1.00 71.12 O ATOM 347 CB SER A 23 -1.691 -29.717 -19.369 1.00 13.22 C ATOM 348 OG SER A 23 -1.321 -30.929 -20.002 1.00 45.25 O ATOM 0 H SER A 23 -1.954 -28.151 -21.260 1.00 52.43 H new ATOM 0 HA SER A 23 -3.666 -30.106 -20.122 1.00 50.54 H new ATOM 0 HB2 SER A 23 -0.943 -28.952 -19.576 1.00 13.22 H new ATOM 0 HB3 SER A 23 -1.712 -29.859 -18.288 1.00 13.22 H new ATOM 0 HG SER A 23 -0.441 -31.212 -19.678 1.00 45.25 H new ATOM 354 N THR A 24 -3.815 -29.089 -17.552 1.00 34.40 N ATOM 355 CA THR A 24 -4.466 -28.476 -16.401 1.00 42.32 C ATOM 356 C THR A 24 -3.756 -27.191 -15.989 1.00 30.22 C ATOM 357 O THR A 24 -3.995 -26.659 -14.905 1.00 14.23 O ATOM 358 CB THR A 24 -4.503 -29.437 -15.198 1.00 54.02 C ATOM 359 OG1 THR A 24 -3.242 -30.102 -15.063 1.00 75.11 O ATOM 360 CG2 THR A 24 -5.611 -30.467 -15.363 1.00 63.00 C ATOM 0 H THR A 24 -3.406 -30.005 -17.366 1.00 34.40 H new ATOM 0 HA THR A 24 -5.488 -28.244 -16.702 1.00 42.32 H new ATOM 0 HB THR A 24 -4.702 -28.853 -14.300 1.00 54.02 H new ATOM 0 HG1 THR A 24 -3.273 -30.710 -14.295 1.00 75.11 H new ATOM 0 HG21 THR A 24 -5.618 -31.135 -14.502 1.00 63.00 H new ATOM 0 HG22 THR A 24 -6.572 -29.959 -15.436 1.00 63.00 H new ATOM 0 HG23 THR A 24 -5.437 -31.046 -16.270 1.00 63.00 H new ATOM 368 N TYR A 25 -2.883 -26.698 -16.860 1.00 2.34 N ATOM 369 CA TYR A 25 -2.137 -25.476 -16.585 1.00 4.44 C ATOM 370 C TYR A 25 -2.960 -24.514 -15.733 1.00 31.51 C ATOM 371 O TYR A 25 -2.444 -23.888 -14.807 1.00 43.32 O ATOM 372 CB TYR A 25 -1.731 -24.796 -17.893 1.00 41.52 C ATOM 373 CG TYR A 25 -1.882 -23.291 -17.866 1.00 75.43 C ATOM 374 CD1 TYR A 25 -3.139 -22.699 -17.916 1.00 65.23 C ATOM 375 CD2 TYR A 25 -0.770 -22.462 -17.792 1.00 31.32 C ATOM 376 CE1 TYR A 25 -3.282 -21.325 -17.893 1.00 30.44 C ATOM 377 CE2 TYR A 25 -0.904 -21.088 -17.766 1.00 51.31 C ATOM 378 CZ TYR A 25 -2.162 -20.524 -17.817 1.00 20.01 C ATOM 379 OH TYR A 25 -2.300 -19.155 -17.793 1.00 63.10 O ATOM 0 H TYR A 25 -2.675 -27.126 -17.762 1.00 2.34 H new ATOM 0 HA TYR A 25 -1.239 -25.747 -16.030 1.00 4.44 H new ATOM 0 HB2 TYR A 25 -0.693 -25.045 -18.115 1.00 41.52 H new ATOM 0 HB3 TYR A 25 -2.336 -25.199 -18.705 1.00 41.52 H new ATOM 0 HD1 TYR A 25 -4.018 -23.324 -17.974 1.00 65.23 H new ATOM 0 HD2 TYR A 25 0.217 -22.900 -17.754 1.00 31.32 H new ATOM 0 HE1 TYR A 25 -4.266 -20.881 -17.934 1.00 30.44 H new ATOM 0 HE2 TYR A 25 -0.029 -20.458 -17.706 1.00 51.31 H new ATOM 0 HH TYR A 25 -3.172 -18.921 -17.412 1.00 63.10 H new ATOM 389 N CYS A 26 -4.245 -24.404 -16.052 1.00 52.12 N ATOM 390 CA CYS A 26 -5.143 -23.520 -15.318 1.00 61.32 C ATOM 391 C CYS A 26 -5.292 -23.977 -13.870 1.00 21.31 C ATOM 392 O CYS A 26 -4.992 -23.231 -12.939 1.00 62.30 O ATOM 393 CB CYS A 26 -6.515 -23.476 -15.994 1.00 64.34 C ATOM 394 SG CYS A 26 -6.547 -22.527 -17.549 1.00 12.12 S ATOM 0 H CYS A 26 -4.688 -24.916 -16.814 1.00 52.12 H new ATOM 0 HA CYS A 26 -4.711 -22.519 -15.323 1.00 61.32 H new ATOM 0 HB2 CYS A 26 -6.841 -24.496 -16.196 1.00 64.34 H new ATOM 0 HB3 CYS A 26 -7.236 -23.042 -15.301 1.00 64.34 H new ATOM 399 N ASN A 27 -5.758 -25.209 -13.689 1.00 5.01 N ATOM 400 CA ASN A 27 -5.947 -25.766 -12.354 1.00 61.04 C ATOM 401 C ASN A 27 -4.897 -25.228 -11.387 1.00 32.45 C ATOM 402 O ASN A 27 -5.179 -25.014 -10.208 1.00 5.12 O ATOM 403 CB ASN A 27 -5.878 -27.294 -12.402 1.00 42.33 C ATOM 404 CG ASN A 27 -6.061 -27.924 -11.035 1.00 40.11 C ATOM 405 OD1 ASN A 27 -6.345 -27.235 -10.055 1.00 24.21 O ATOM 406 ND2 ASN A 27 -5.899 -29.240 -10.964 1.00 2.01 N ATOM 0 H ASN A 27 -6.011 -25.840 -14.449 1.00 5.01 H new ATOM 0 HA ASN A 27 -6.932 -25.465 -11.997 1.00 61.04 H new ATOM 0 HB2 ASN A 27 -6.647 -27.669 -13.078 1.00 42.33 H new ATOM 0 HB3 ASN A 27 -4.916 -27.599 -12.814 1.00 42.33 H new ATOM 0 HD21 ASN A 27 -6.010 -29.720 -10.071 1.00 2.01 H new ATOM 0 HD22 ASN A 27 -5.664 -29.771 -11.803 1.00 2.01 H new ATOM 413 N GLN A 28 -3.688 -25.013 -11.894 1.00 2.22 N ATOM 414 CA GLN A 28 -2.596 -24.500 -11.074 1.00 34.32 C ATOM 415 C GLN A 28 -2.567 -22.976 -11.097 1.00 54.42 C ATOM 416 O GLN A 28 -2.845 -22.325 -10.090 1.00 51.45 O ATOM 417 CB GLN A 28 -1.258 -25.055 -11.564 1.00 61.23 C ATOM 418 CG GLN A 28 -1.159 -26.570 -11.477 1.00 45.42 C ATOM 419 CD GLN A 28 -1.853 -27.130 -10.252 1.00 24.44 C ATOM 420 OE1 GLN A 28 -1.334 -27.048 -9.138 1.00 0.31 O ATOM 421 NE2 GLN A 28 -3.033 -27.706 -10.451 1.00 2.44 N ATOM 0 H GLN A 28 -3.439 -25.186 -12.868 1.00 2.22 H new ATOM 0 HA GLN A 28 -2.762 -24.826 -10.047 1.00 34.32 H new ATOM 0 HB2 GLN A 28 -1.104 -24.748 -12.598 1.00 61.23 H new ATOM 0 HB3 GLN A 28 -0.454 -24.612 -10.977 1.00 61.23 H new ATOM 0 HG2 GLN A 28 -1.598 -27.011 -12.372 1.00 45.42 H new ATOM 0 HG3 GLN A 28 -0.109 -26.861 -11.460 1.00 45.42 H new ATOM 0 HE21 GLN A 28 -3.426 -27.752 -11.391 1.00 2.44 H new ATOM 0 HE22 GLN A 28 -3.546 -28.102 -9.664 1.00 2.44 H new ATOM 430 N MET A 29 -2.229 -22.413 -12.253 1.00 12.23 N ATOM 431 CA MET A 29 -2.165 -20.964 -12.407 1.00 20.13 C ATOM 432 C MET A 29 -3.195 -20.276 -11.517 1.00 33.55 C ATOM 433 O MET A 29 -2.841 -19.551 -10.588 1.00 10.02 O ATOM 434 CB MET A 29 -2.395 -20.574 -13.868 1.00 72.41 C ATOM 435 CG MET A 29 -1.268 -20.999 -14.795 1.00 71.42 C ATOM 436 SD MET A 29 0.340 -21.000 -13.979 1.00 53.11 S ATOM 437 CE MET A 29 0.498 -19.270 -13.543 1.00 24.03 C ATOM 0 H MET A 29 -1.995 -22.938 -13.096 1.00 12.23 H new ATOM 0 HA MET A 29 -1.171 -20.636 -12.103 1.00 20.13 H new ATOM 0 HB2 MET A 29 -3.327 -21.022 -14.213 1.00 72.41 H new ATOM 0 HB3 MET A 29 -2.519 -19.493 -13.932 1.00 72.41 H new ATOM 0 HG2 MET A 29 -1.476 -21.997 -15.180 1.00 71.42 H new ATOM 0 HG3 MET A 29 -1.235 -20.327 -15.653 1.00 71.42 H new ATOM 0 HE1 MET A 29 1.421 -18.872 -13.964 1.00 24.03 H new ATOM 0 HE2 MET A 29 -0.351 -18.715 -13.942 1.00 24.03 H new ATOM 0 HE3 MET A 29 0.520 -19.169 -12.458 1.00 24.03 H new ATOM 447 N MET A 30 -4.471 -20.509 -11.807 1.00 31.51 N ATOM 448 CA MET A 30 -5.552 -19.913 -11.031 1.00 53.43 C ATOM 449 C MET A 30 -5.278 -20.031 -9.535 1.00 41.05 C ATOM 450 O MET A 30 -5.522 -19.095 -8.774 1.00 53.12 O ATOM 451 CB MET A 30 -6.884 -20.584 -11.372 1.00 71.11 C ATOM 452 CG MET A 30 -7.757 -19.763 -12.307 1.00 40.11 C ATOM 453 SD MET A 30 -8.736 -18.525 -11.435 1.00 71.11 S ATOM 454 CE MET A 30 -7.733 -17.062 -11.685 1.00 21.42 C ATOM 0 H MET A 30 -4.781 -21.106 -12.573 1.00 31.51 H new ATOM 0 HA MET A 30 -5.610 -18.856 -11.289 1.00 53.43 H new ATOM 0 HB2 MET A 30 -6.686 -21.553 -11.830 1.00 71.11 H new ATOM 0 HB3 MET A 30 -7.432 -20.774 -10.449 1.00 71.11 H new ATOM 0 HG2 MET A 30 -7.126 -19.268 -13.045 1.00 40.11 H new ATOM 0 HG3 MET A 30 -8.424 -20.429 -12.853 1.00 40.11 H new ATOM 0 HE1 MET A 30 -8.378 -16.187 -11.760 1.00 21.42 H new ATOM 0 HE2 MET A 30 -7.052 -16.940 -10.843 1.00 21.42 H new ATOM 0 HE3 MET A 30 -7.157 -17.168 -12.605 1.00 21.42 H new ATOM 464 N ARG A 31 -4.769 -21.187 -9.121 1.00 53.13 N ATOM 465 CA ARG A 31 -4.464 -21.427 -7.716 1.00 65.32 C ATOM 466 C ARG A 31 -3.255 -20.607 -7.275 1.00 14.54 C ATOM 467 O ARG A 31 -3.332 -19.836 -6.318 1.00 14.23 O ATOM 468 CB ARG A 31 -4.198 -22.915 -7.477 1.00 42.24 C ATOM 469 CG ARG A 31 -3.420 -23.198 -6.202 1.00 52.45 C ATOM 470 CD ARG A 31 -3.137 -24.683 -6.040 1.00 54.13 C ATOM 471 NE ARG A 31 -2.025 -24.932 -5.127 1.00 42.25 N ATOM 472 CZ ARG A 31 -0.748 -24.848 -5.485 1.00 12.43 C ATOM 473 NH1 ARG A 31 -0.425 -24.522 -6.729 1.00 25.34 N ATOM 474 NH2 ARG A 31 0.208 -25.089 -4.597 1.00 12.33 N ATOM 0 H ARG A 31 -4.559 -21.971 -9.738 1.00 53.13 H new ATOM 0 HA ARG A 31 -5.326 -21.119 -7.125 1.00 65.32 H new ATOM 0 HB2 ARG A 31 -5.150 -23.444 -7.436 1.00 42.24 H new ATOM 0 HB3 ARG A 31 -3.646 -23.318 -8.326 1.00 42.24 H new ATOM 0 HG2 ARG A 31 -2.480 -22.647 -6.218 1.00 52.45 H new ATOM 0 HG3 ARG A 31 -3.985 -22.838 -5.342 1.00 52.45 H new ATOM 0 HD2 ARG A 31 -4.031 -25.184 -5.668 1.00 54.13 H new ATOM 0 HD3 ARG A 31 -2.911 -25.117 -7.014 1.00 54.13 H new ATOM 0 HE ARG A 31 -2.240 -25.184 -4.162 1.00 42.25 H new ATOM 0 HH11 ARG A 31 -1.157 -24.335 -7.414 1.00 25.34 H new ATOM 0 HH12 ARG A 31 0.556 -24.458 -7.001 1.00 25.34 H new ATOM 0 HH21 ARG A 31 -0.037 -25.339 -3.639 1.00 12.33 H new ATOM 0 HH22 ARG A 31 1.188 -25.024 -4.872 1.00 12.33 H new ATOM 488 N ARG A 32 -2.141 -20.778 -7.978 1.00 21.11 N ATOM 489 CA ARG A 32 -0.916 -20.055 -7.657 1.00 53.24 C ATOM 490 C ARG A 32 -1.197 -18.567 -7.468 1.00 73.11 C ATOM 491 O ARG A 32 -0.467 -17.872 -6.761 1.00 33.52 O ATOM 492 CB ARG A 32 0.122 -20.252 -8.763 1.00 40.05 C ATOM 493 CG ARG A 32 1.040 -21.442 -8.533 1.00 15.55 C ATOM 494 CD ARG A 32 2.416 -21.000 -8.060 1.00 50.04 C ATOM 495 NE ARG A 32 2.809 -21.666 -6.821 1.00 42.34 N ATOM 496 CZ ARG A 32 3.854 -21.297 -6.089 1.00 10.04 C ATOM 497 NH1 ARG A 32 4.606 -20.273 -6.468 1.00 70.22 N ATOM 498 NH2 ARG A 32 4.148 -21.953 -4.973 1.00 40.40 N ATOM 0 H ARG A 32 -2.061 -21.411 -8.774 1.00 21.11 H new ATOM 0 HA ARG A 32 -0.522 -20.455 -6.723 1.00 53.24 H new ATOM 0 HB2 ARG A 32 -0.394 -20.380 -9.715 1.00 40.05 H new ATOM 0 HB3 ARG A 32 0.726 -19.349 -8.847 1.00 40.05 H new ATOM 0 HG2 ARG A 32 0.596 -22.108 -7.793 1.00 15.55 H new ATOM 0 HG3 ARG A 32 1.137 -22.012 -9.457 1.00 15.55 H new ATOM 0 HD2 ARG A 32 3.152 -21.214 -8.835 1.00 50.04 H new ATOM 0 HD3 ARG A 32 2.418 -19.921 -7.908 1.00 50.04 H new ATOM 0 HE ARG A 32 2.251 -22.457 -6.501 1.00 42.34 H new ATOM 0 HH11 ARG A 32 4.383 -19.766 -7.324 1.00 70.22 H new ATOM 0 HH12 ARG A 32 5.408 -19.992 -5.903 1.00 70.22 H new ATOM 0 HH21 ARG A 32 3.571 -22.741 -4.677 1.00 40.40 H new ATOM 0 HH22 ARG A 32 4.951 -21.669 -4.411 1.00 40.40 H new ATOM 512 N ARG A 33 -2.259 -18.085 -8.105 1.00 53.03 N ATOM 513 CA ARG A 33 -2.636 -16.680 -8.009 1.00 4.24 C ATOM 514 C ARG A 33 -3.411 -16.412 -6.722 1.00 0.10 C ATOM 515 O ARG A 33 -4.061 -15.377 -6.582 1.00 1.15 O ATOM 516 CB ARG A 33 -3.477 -16.271 -9.219 1.00 15.24 C ATOM 517 CG ARG A 33 -2.783 -16.503 -10.550 1.00 60.34 C ATOM 518 CD ARG A 33 -1.810 -15.381 -10.875 1.00 3.24 C ATOM 519 NE ARG A 33 -0.559 -15.886 -11.435 1.00 52.54 N ATOM 520 CZ ARG A 33 0.355 -15.110 -12.008 1.00 24.45 C ATOM 521 NH1 ARG A 33 0.160 -13.802 -12.094 1.00 1.24 N ATOM 522 NH2 ARG A 33 1.468 -15.644 -12.495 1.00 23.14 N ATOM 0 H ARG A 33 -2.874 -18.647 -8.693 1.00 53.03 H new ATOM 0 HA ARG A 33 -1.723 -16.085 -7.993 1.00 4.24 H new ATOM 0 HB2 ARG A 33 -4.413 -16.829 -9.205 1.00 15.24 H new ATOM 0 HB3 ARG A 33 -3.734 -15.215 -9.132 1.00 15.24 H new ATOM 0 HG2 ARG A 33 -2.249 -17.453 -10.522 1.00 60.34 H new ATOM 0 HG3 ARG A 33 -3.528 -16.580 -11.341 1.00 60.34 H new ATOM 0 HD2 ARG A 33 -2.273 -14.694 -11.583 1.00 3.24 H new ATOM 0 HD3 ARG A 33 -1.598 -14.811 -9.970 1.00 3.24 H new ATOM 0 HE ARG A 33 -0.377 -16.888 -11.383 1.00 52.54 H new ATOM 0 HH11 ARG A 33 -0.694 -13.388 -11.720 1.00 1.24 H new ATOM 0 HH12 ARG A 33 0.864 -13.209 -12.534 1.00 1.24 H new ATOM 0 HH21 ARG A 33 1.622 -16.650 -12.430 1.00 23.14 H new ATOM 0 HH22 ARG A 33 2.169 -15.048 -12.935 1.00 23.14 H new ATOM 536 N ASN A 34 -3.337 -17.353 -5.786 1.00 54.21 N ATOM 537 CA ASN A 34 -4.033 -17.219 -4.511 1.00 52.23 C ATOM 538 C ASN A 34 -5.509 -16.900 -4.728 1.00 73.01 C ATOM 539 O ASN A 34 -6.061 -16.004 -4.091 1.00 12.34 O ATOM 540 CB ASN A 34 -3.382 -16.123 -3.664 1.00 75.41 C ATOM 541 CG ASN A 34 -1.915 -16.395 -3.397 1.00 5.42 C ATOM 542 OD1 ASN A 34 -1.048 -15.601 -3.764 1.00 53.32 O ATOM 543 ND2 ASN A 34 -1.629 -17.521 -2.754 1.00 44.02 N ATOM 0 H ASN A 34 -2.803 -18.216 -5.886 1.00 54.21 H new ATOM 0 HA ASN A 34 -3.959 -18.170 -3.983 1.00 52.23 H new ATOM 0 HB2 ASN A 34 -3.484 -15.165 -4.173 1.00 75.41 H new ATOM 0 HB3 ASN A 34 -3.912 -16.038 -2.715 1.00 75.41 H new ATOM 0 HD21 ASN A 34 -0.659 -17.757 -2.546 1.00 44.02 H new ATOM 0 HD22 ASN A 34 -2.380 -18.150 -2.468 1.00 44.02 H new ATOM 550 N MET A 35 -6.142 -17.641 -5.632 1.00 15.13 N ATOM 551 CA MET A 35 -7.555 -17.438 -5.931 1.00 73.32 C ATOM 552 C MET A 35 -8.371 -18.674 -5.565 1.00 72.12 C ATOM 553 O MET A 35 -9.567 -18.749 -5.851 1.00 63.12 O ATOM 554 CB MET A 35 -7.742 -17.110 -7.414 1.00 34.03 C ATOM 555 CG MET A 35 -8.363 -15.745 -7.660 1.00 51.51 C ATOM 556 SD MET A 35 -7.492 -14.420 -6.800 1.00 75.40 S ATOM 557 CE MET A 35 -6.141 -14.111 -7.934 1.00 71.12 C ATOM 0 H MET A 35 -5.699 -18.386 -6.169 1.00 15.13 H new ATOM 0 HA MET A 35 -7.911 -16.599 -5.333 1.00 73.32 H new ATOM 0 HB2 MET A 35 -6.774 -17.155 -7.913 1.00 34.03 H new ATOM 0 HB3 MET A 35 -8.371 -17.874 -7.870 1.00 34.03 H new ATOM 0 HG2 MET A 35 -8.365 -15.539 -8.730 1.00 51.51 H new ATOM 0 HG3 MET A 35 -9.404 -15.760 -7.337 1.00 51.51 H new ATOM 0 HE1 MET A 35 -5.366 -13.534 -7.429 1.00 71.12 H new ATOM 0 HE2 MET A 35 -5.725 -15.060 -8.271 1.00 71.12 H new ATOM 0 HE3 MET A 35 -6.508 -13.550 -8.793 1.00 71.12 H new ATOM 567 N THR A 36 -7.718 -19.643 -4.931 1.00 1.21 N ATOM 568 CA THR A 36 -8.382 -20.875 -4.527 1.00 73.52 C ATOM 569 C THR A 36 -8.359 -21.042 -3.012 1.00 65.11 C ATOM 570 O THR A 36 -8.664 -22.115 -2.492 1.00 50.04 O ATOM 571 CB THR A 36 -7.725 -22.107 -5.178 1.00 70.11 C ATOM 572 OG1 THR A 36 -6.378 -22.246 -4.714 1.00 45.10 O ATOM 573 CG2 THR A 36 -7.735 -21.988 -6.695 1.00 3.44 C ATOM 0 H THR A 36 -6.729 -19.598 -4.686 1.00 1.21 H new ATOM 0 HA THR A 36 -9.416 -20.802 -4.866 1.00 73.52 H new ATOM 0 HB THR A 36 -8.299 -22.989 -4.895 1.00 70.11 H new ATOM 0 HG1 THR A 36 -6.075 -23.166 -4.860 1.00 45.10 H new ATOM 0 HG21 THR A 36 -7.266 -22.869 -7.132 1.00 3.44 H new ATOM 0 HG22 THR A 36 -8.764 -21.912 -7.047 1.00 3.44 H new ATOM 0 HG23 THR A 36 -7.183 -21.097 -6.994 1.00 3.44 H new ATOM 581 N GLN A 37 -7.995 -19.974 -2.310 1.00 24.24 N ATOM 582 CA GLN A 37 -7.931 -20.004 -0.853 1.00 55.31 C ATOM 583 C GLN A 37 -9.330 -19.946 -0.246 1.00 45.44 C ATOM 584 O GLN A 37 -10.101 -19.029 -0.526 1.00 61.01 O ATOM 585 CB GLN A 37 -7.089 -18.837 -0.334 1.00 64.44 C ATOM 586 CG GLN A 37 -5.592 -19.102 -0.378 1.00 12.52 C ATOM 587 CD GLN A 37 -4.998 -19.321 1.000 1.00 51.25 C ATOM 588 OE1 GLN A 37 -5.720 -19.543 1.972 1.00 74.44 O ATOM 589 NE2 GLN A 37 -3.675 -19.259 1.090 1.00 23.04 N ATOM 0 H GLN A 37 -7.740 -19.078 -2.726 1.00 24.24 H new ATOM 0 HA GLN A 37 -7.463 -20.942 -0.554 1.00 55.31 H new ATOM 0 HB2 GLN A 37 -7.310 -17.949 -0.925 1.00 64.44 H new ATOM 0 HB3 GLN A 37 -7.381 -18.617 0.693 1.00 64.44 H new ATOM 0 HG2 GLN A 37 -5.400 -19.979 -0.996 1.00 12.52 H new ATOM 0 HG3 GLN A 37 -5.092 -18.260 -0.856 1.00 12.52 H new ATOM 0 HE21 GLN A 37 -3.115 -19.072 0.258 1.00 23.04 H new ATOM 0 HE22 GLN A 37 -3.218 -19.398 1.991 1.00 23.04 H new ATOM 598 N GLY A 38 -9.650 -20.932 0.586 1.00 4.33 N ATOM 599 CA GLY A 38 -10.955 -20.974 1.219 1.00 1.00 C ATOM 600 C GLY A 38 -12.022 -21.549 0.309 1.00 60.11 C ATOM 601 O GLY A 38 -13.022 -22.092 0.779 1.00 23.04 O ATOM 0 H GLY A 38 -9.029 -21.702 0.833 1.00 4.33 H new ATOM 0 HA2 GLY A 38 -10.896 -21.573 2.128 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.242 -19.966 1.519 1.00 1.00 H new ATOM 605 N ARG A 39 -11.811 -21.429 -0.998 1.00 2.34 N ATOM 606 CA ARG A 39 -12.764 -21.938 -1.976 1.00 32.52 C ATOM 607 C ARG A 39 -12.104 -22.110 -3.341 1.00 2.43 C ATOM 608 O ARG A 39 -11.000 -21.617 -3.574 1.00 42.23 O ATOM 609 CB ARG A 39 -13.962 -20.994 -2.092 1.00 33.32 C ATOM 610 CG ARG A 39 -13.587 -19.523 -2.026 1.00 2.12 C ATOM 611 CD ARG A 39 -13.525 -18.901 -3.412 1.00 64.22 C ATOM 612 NE ARG A 39 -13.932 -17.499 -3.402 1.00 3.42 N ATOM 613 CZ ARG A 39 -15.199 -17.101 -3.359 1.00 25.42 C ATOM 614 NH1 ARG A 39 -16.176 -17.996 -3.322 1.00 14.01 N ATOM 615 NH2 ARG A 39 -15.489 -15.807 -3.352 1.00 53.31 N ATOM 0 H ARG A 39 -10.988 -20.983 -1.404 1.00 2.34 H new ATOM 0 HA ARG A 39 -13.110 -22.913 -1.634 1.00 32.52 H new ATOM 0 HB2 ARG A 39 -14.476 -21.187 -3.034 1.00 33.32 H new ATOM 0 HB3 ARG A 39 -14.668 -21.217 -1.292 1.00 33.32 H new ATOM 0 HG2 ARG A 39 -14.316 -18.987 -1.418 1.00 2.12 H new ATOM 0 HG3 ARG A 39 -12.621 -19.415 -1.534 1.00 2.12 H new ATOM 0 HD2 ARG A 39 -12.509 -18.981 -3.800 1.00 64.22 H new ATOM 0 HD3 ARG A 39 -14.170 -19.461 -4.090 1.00 64.22 H new ATOM 0 HE ARG A 39 -13.204 -16.786 -3.430 1.00 3.42 H new ATOM 0 HH11 ARG A 39 -15.956 -18.992 -3.326 1.00 14.01 H new ATOM 0 HH12 ARG A 39 -17.148 -17.689 -3.289 1.00 14.01 H new ATOM 0 HH21 ARG A 39 -14.739 -15.116 -3.380 1.00 53.31 H new ATOM 0 HH22 ARG A 39 -16.462 -15.503 -3.319 1.00 53.31 H new ATOM 629 N CYS A 40 -12.787 -22.812 -4.239 1.00 3.43 N ATOM 630 CA CYS A 40 -12.267 -23.049 -5.580 1.00 33.50 C ATOM 631 C CYS A 40 -13.003 -22.195 -6.608 1.00 35.01 C ATOM 632 O CYS A 40 -14.217 -22.317 -6.779 1.00 64.12 O ATOM 633 CB CYS A 40 -12.397 -24.530 -5.945 1.00 5.35 C ATOM 634 SG CYS A 40 -10.901 -25.513 -5.605 1.00 2.53 S ATOM 0 H CYS A 40 -13.702 -23.227 -4.062 1.00 3.43 H new ATOM 0 HA CYS A 40 -11.213 -22.770 -5.589 1.00 33.50 H new ATOM 0 HB2 CYS A 40 -13.233 -24.958 -5.392 1.00 5.35 H new ATOM 0 HB3 CYS A 40 -12.640 -24.612 -7.004 1.00 5.35 H new ATOM 639 N LYS A 41 -12.261 -21.330 -7.290 1.00 52.41 N ATOM 640 CA LYS A 41 -12.841 -20.455 -8.303 1.00 1.05 C ATOM 641 C LYS A 41 -13.658 -21.257 -9.311 1.00 4.30 C ATOM 642 O LYS A 41 -13.247 -22.322 -9.771 1.00 73.33 O ATOM 643 CB LYS A 41 -11.739 -19.677 -9.026 1.00 20.42 C ATOM 644 CG LYS A 41 -12.248 -18.462 -9.781 1.00 41.04 C ATOM 645 CD LYS A 41 -12.700 -17.365 -8.833 1.00 2.54 C ATOM 646 CE LYS A 41 -11.515 -16.670 -8.179 1.00 30.23 C ATOM 647 NZ LYS A 41 -11.918 -15.407 -7.500 1.00 64.31 N ATOM 0 H LYS A 41 -11.256 -21.216 -7.160 1.00 52.41 H new ATOM 0 HA LYS A 41 -13.505 -19.751 -7.802 1.00 1.05 H new ATOM 0 HB2 LYS A 41 -10.995 -19.356 -8.297 1.00 20.42 H new ATOM 0 HB3 LYS A 41 -11.234 -20.344 -9.725 1.00 20.42 H new ATOM 0 HG2 LYS A 41 -11.461 -18.081 -10.431 1.00 41.04 H new ATOM 0 HG3 LYS A 41 -13.079 -18.754 -10.424 1.00 41.04 H new ATOM 0 HD2 LYS A 41 -13.296 -16.634 -9.379 1.00 2.54 H new ATOM 0 HD3 LYS A 41 -13.344 -17.790 -8.063 1.00 2.54 H new ATOM 0 HE2 LYS A 41 -11.055 -17.341 -7.454 1.00 30.23 H new ATOM 0 HE3 LYS A 41 -10.760 -16.451 -8.934 1.00 30.23 H new ATOM 0 HZ1 LYS A 41 -11.229 -14.660 -7.720 1.00 64.31 H new ATOM 0 HZ2 LYS A 41 -12.860 -15.119 -7.834 1.00 64.31 H new ATOM 0 HZ3 LYS A 41 -11.947 -15.560 -6.472 1.00 64.31 H new ATOM 661 N PRO A 42 -14.841 -20.734 -9.665 1.00 10.32 N ATOM 662 CA PRO A 42 -15.739 -21.384 -10.624 1.00 43.32 C ATOM 663 C PRO A 42 -15.189 -21.352 -12.046 1.00 42.31 C ATOM 664 O PRO A 42 -15.104 -22.383 -12.713 1.00 51.01 O ATOM 665 CB PRO A 42 -17.021 -20.554 -10.528 1.00 54.11 C ATOM 666 CG PRO A 42 -16.572 -19.215 -10.055 1.00 43.44 C ATOM 667 CD PRO A 42 -15.394 -19.467 -9.156 1.00 24.12 C ATOM 0 HA PRO A 42 -15.881 -22.441 -10.398 1.00 43.32 H new ATOM 0 HB2 PRO A 42 -17.521 -20.485 -11.494 1.00 54.11 H new ATOM 0 HB3 PRO A 42 -17.731 -21.002 -9.833 1.00 54.11 H new ATOM 0 HG2 PRO A 42 -16.293 -18.578 -10.894 1.00 43.44 H new ATOM 0 HG3 PRO A 42 -17.370 -18.703 -9.518 1.00 43.44 H new ATOM 0 HD2 PRO A 42 -14.665 -18.659 -9.213 1.00 24.12 H new ATOM 0 HD3 PRO A 42 -15.696 -19.551 -8.112 1.00 24.12 H new ATOM 675 N VAL A 43 -14.816 -20.161 -12.505 1.00 24.12 N ATOM 676 CA VAL A 43 -14.272 -19.995 -13.847 1.00 70.24 C ATOM 677 C VAL A 43 -13.675 -18.605 -14.030 1.00 44.44 C ATOM 678 O VAL A 43 -14.014 -17.672 -13.304 1.00 10.31 O ATOM 679 CB VAL A 43 -15.351 -20.224 -14.922 1.00 55.31 C ATOM 680 CG1 VAL A 43 -16.688 -19.658 -14.466 1.00 22.43 C ATOM 681 CG2 VAL A 43 -14.925 -19.605 -16.245 1.00 12.22 C ATOM 0 H VAL A 43 -14.881 -19.297 -11.967 1.00 24.12 H new ATOM 0 HA VAL A 43 -13.487 -20.742 -13.965 1.00 70.24 H new ATOM 0 HB VAL A 43 -15.469 -21.297 -15.070 1.00 55.31 H new ATOM 0 HG11 VAL A 43 -17.438 -19.829 -15.238 1.00 22.43 H new ATOM 0 HG12 VAL A 43 -16.997 -20.152 -13.545 1.00 22.43 H new ATOM 0 HG13 VAL A 43 -16.588 -18.587 -14.288 1.00 22.43 H new ATOM 0 HG21 VAL A 43 -15.699 -19.776 -16.993 1.00 12.22 H new ATOM 0 HG22 VAL A 43 -14.778 -18.533 -16.114 1.00 12.22 H new ATOM 0 HG23 VAL A 43 -13.993 -20.062 -16.577 1.00 12.22 H new ATOM 691 N ASN A 44 -12.783 -18.474 -15.007 1.00 43.41 N ATOM 692 CA ASN A 44 -12.137 -17.196 -15.286 1.00 70.13 C ATOM 693 C ASN A 44 -11.377 -17.248 -16.608 1.00 52.13 C ATOM 694 O ASN A 44 -11.331 -18.285 -17.271 1.00 52.11 O ATOM 695 CB ASN A 44 -11.182 -16.825 -14.150 1.00 43.23 C ATOM 696 CG ASN A 44 -9.776 -17.345 -14.384 1.00 14.25 C ATOM 697 OD1 ASN A 44 -9.538 -18.552 -14.361 1.00 63.42 O ATOM 698 ND2 ASN A 44 -8.838 -16.433 -14.609 1.00 1.43 N ATOM 0 H ASN A 44 -12.491 -19.237 -15.618 1.00 43.41 H new ATOM 0 HA ASN A 44 -12.913 -16.434 -15.363 1.00 70.13 H new ATOM 0 HB2 ASN A 44 -11.152 -15.741 -14.043 1.00 43.23 H new ATOM 0 HB3 ASN A 44 -11.564 -17.227 -13.212 1.00 43.23 H new ATOM 0 HD21 ASN A 44 -7.874 -16.723 -14.772 1.00 1.43 H new ATOM 0 HD22 ASN A 44 -9.082 -15.443 -14.619 1.00 1.43 H new ATOM 705 N THR A 45 -10.781 -16.121 -16.987 1.00 30.44 N ATOM 706 CA THR A 45 -10.024 -16.037 -18.229 1.00 23.51 C ATOM 707 C THR A 45 -8.684 -15.345 -18.010 1.00 45.21 C ATOM 708 O THR A 45 -8.619 -14.272 -17.409 1.00 65.13 O ATOM 709 CB THR A 45 -10.809 -15.279 -19.316 1.00 32.34 C ATOM 710 OG1 THR A 45 -12.177 -15.702 -19.316 1.00 14.22 O ATOM 711 CG2 THR A 45 -10.200 -15.517 -20.689 1.00 4.20 C ATOM 0 H THR A 45 -10.809 -15.254 -16.451 1.00 30.44 H new ATOM 0 HA THR A 45 -9.851 -17.060 -18.563 1.00 23.51 H new ATOM 0 HB THR A 45 -10.758 -14.213 -19.093 1.00 32.34 H new ATOM 0 HG1 THR A 45 -12.670 -15.215 -20.008 1.00 14.22 H new ATOM 0 HG21 THR A 45 -10.771 -14.972 -21.440 1.00 4.20 H new ATOM 0 HG22 THR A 45 -9.167 -15.168 -20.695 1.00 4.20 H new ATOM 0 HG23 THR A 45 -10.224 -16.582 -20.918 1.00 4.20 H new ATOM 719 N PHE A 46 -7.615 -15.964 -18.502 1.00 14.02 N ATOM 720 CA PHE A 46 -6.275 -15.406 -18.359 1.00 75.45 C ATOM 721 C PHE A 46 -5.939 -14.493 -19.534 1.00 51.43 C ATOM 722 O PHE A 46 -6.750 -14.305 -20.442 1.00 23.14 O ATOM 723 CB PHE A 46 -5.241 -16.529 -18.260 1.00 21.25 C ATOM 724 CG PHE A 46 -4.992 -16.992 -16.852 1.00 51.43 C ATOM 725 CD1 PHE A 46 -4.823 -16.075 -15.827 1.00 44.35 C ATOM 726 CD2 PHE A 46 -4.927 -18.343 -16.554 1.00 71.35 C ATOM 727 CE1 PHE A 46 -4.594 -16.497 -14.531 1.00 41.23 C ATOM 728 CE2 PHE A 46 -4.699 -18.771 -15.260 1.00 71.23 C ATOM 729 CZ PHE A 46 -4.531 -17.847 -14.248 1.00 10.03 C ATOM 0 H PHE A 46 -7.651 -16.852 -19.003 1.00 14.02 H new ATOM 0 HA PHE A 46 -6.249 -14.815 -17.443 1.00 75.45 H new ATOM 0 HB2 PHE A 46 -5.577 -17.376 -18.858 1.00 21.25 H new ATOM 0 HB3 PHE A 46 -4.301 -16.186 -18.693 1.00 21.25 H new ATOM 0 HD1 PHE A 46 -4.871 -15.018 -16.043 1.00 44.35 H new ATOM 0 HD2 PHE A 46 -5.056 -19.070 -17.342 1.00 71.35 H new ATOM 0 HE1 PHE A 46 -4.465 -15.772 -13.741 1.00 41.23 H new ATOM 0 HE2 PHE A 46 -4.652 -19.827 -15.041 1.00 71.23 H new ATOM 0 HZ PHE A 46 -4.351 -18.180 -13.236 1.00 10.03 H new ATOM 739 N VAL A 47 -4.737 -13.925 -19.510 1.00 31.51 N ATOM 740 CA VAL A 47 -4.292 -13.031 -20.572 1.00 62.40 C ATOM 741 C VAL A 47 -2.786 -13.138 -20.785 1.00 71.32 C ATOM 742 O VAL A 47 -2.003 -12.980 -19.848 1.00 43.23 O ATOM 743 CB VAL A 47 -4.653 -11.567 -20.261 1.00 5.32 C ATOM 744 CG1 VAL A 47 -3.816 -10.619 -21.107 1.00 21.21 C ATOM 745 CG2 VAL A 47 -6.138 -11.325 -20.485 1.00 45.12 C ATOM 0 H VAL A 47 -4.054 -14.068 -18.766 1.00 31.51 H new ATOM 0 HA VAL A 47 -4.807 -13.339 -21.482 1.00 62.40 H new ATOM 0 HB VAL A 47 -4.431 -11.371 -19.212 1.00 5.32 H new ATOM 0 HG11 VAL A 47 -4.085 -9.589 -20.873 1.00 21.21 H new ATOM 0 HG12 VAL A 47 -2.759 -10.776 -20.891 1.00 21.21 H new ATOM 0 HG13 VAL A 47 -4.003 -10.812 -22.163 1.00 21.21 H new ATOM 0 HG21 VAL A 47 -6.375 -10.285 -20.260 1.00 45.12 H new ATOM 0 HG22 VAL A 47 -6.389 -11.538 -21.524 1.00 45.12 H new ATOM 0 HG23 VAL A 47 -6.716 -11.978 -19.831 1.00 45.12 H new ATOM 755 N HIS A 48 -2.387 -13.408 -22.024 1.00 41.32 N ATOM 756 CA HIS A 48 -0.974 -13.535 -22.361 1.00 45.34 C ATOM 757 C HIS A 48 -0.465 -12.274 -23.055 1.00 31.41 C ATOM 758 O HIS A 48 0.579 -12.292 -23.706 1.00 12.10 O ATOM 759 CB HIS A 48 -0.749 -14.751 -23.260 1.00 72.21 C ATOM 760 CG HIS A 48 -0.792 -16.055 -22.525 1.00 23.24 C ATOM 761 ND1 HIS A 48 0.136 -16.411 -21.569 1.00 3.33 N ATOM 762 CD2 HIS A 48 -1.659 -17.091 -22.608 1.00 51.12 C ATOM 763 CE1 HIS A 48 -0.157 -17.609 -21.097 1.00 74.34 C ATOM 764 NE2 HIS A 48 -1.243 -18.044 -21.711 1.00 50.05 N ATOM 0 H HIS A 48 -3.022 -13.543 -22.811 1.00 41.32 H new ATOM 0 HA HIS A 48 -0.416 -13.669 -21.434 1.00 45.34 H new ATOM 0 HB2 HIS A 48 -1.508 -14.759 -24.043 1.00 72.21 H new ATOM 0 HB3 HIS A 48 0.218 -14.653 -23.754 1.00 72.21 H new ATOM 0 HD1 HIS A 48 0.926 -15.838 -21.273 1.00 3.33 H new ATOM 0 HD2 HIS A 48 -2.518 -17.156 -23.259 1.00 51.12 H new ATOM 0 HE1 HIS A 48 0.397 -18.142 -20.338 1.00 74.34 H new ATOM 772 N GLU A 49 -1.211 -11.183 -22.911 1.00 20.52 N ATOM 773 CA GLU A 49 -0.835 -9.915 -23.525 1.00 75.52 C ATOM 774 C GLU A 49 -0.426 -8.897 -22.465 1.00 25.41 C ATOM 775 O GLU A 49 -0.861 -8.952 -21.315 1.00 11.24 O ATOM 776 CB GLU A 49 -1.995 -9.363 -24.357 1.00 21.20 C ATOM 777 CG GLU A 49 -3.052 -8.651 -23.530 1.00 41.41 C ATOM 778 CD GLU A 49 -4.432 -9.256 -23.700 1.00 43.12 C ATOM 779 OE1 GLU A 49 -4.521 -10.408 -24.172 1.00 64.43 O ATOM 780 OE2 GLU A 49 -5.423 -8.576 -23.360 1.00 60.34 O ATOM 0 H GLU A 49 -2.078 -11.152 -22.375 1.00 20.52 H new ATOM 0 HA GLU A 49 0.019 -10.096 -24.178 1.00 75.52 H new ATOM 0 HB2 GLU A 49 -1.600 -8.671 -25.101 1.00 21.20 H new ATOM 0 HB3 GLU A 49 -2.463 -10.183 -24.901 1.00 21.20 H new ATOM 0 HG2 GLU A 49 -2.770 -8.688 -22.478 1.00 41.41 H new ATOM 0 HG3 GLU A 49 -3.083 -7.599 -23.815 1.00 41.41 H new ATOM 787 N PRO A 50 0.433 -7.946 -22.860 1.00 4.13 N ATOM 788 CA PRO A 50 0.922 -6.897 -21.959 1.00 74.13 C ATOM 789 C PRO A 50 -0.168 -5.897 -21.589 1.00 75.22 C ATOM 790 O PRO A 50 -1.001 -5.534 -22.421 1.00 70.34 O ATOM 791 CB PRO A 50 2.021 -6.212 -22.775 1.00 73.35 C ATOM 792 CG PRO A 50 1.653 -6.469 -24.196 1.00 42.02 C ATOM 793 CD PRO A 50 0.994 -7.820 -24.216 1.00 34.23 C ATOM 0 HA PRO A 50 1.269 -7.304 -21.009 1.00 74.13 H new ATOM 0 HB2 PRO A 50 2.063 -5.143 -22.564 1.00 73.35 H new ATOM 0 HB3 PRO A 50 3.003 -6.622 -22.540 1.00 73.35 H new ATOM 0 HG2 PRO A 50 0.977 -5.700 -24.569 1.00 42.02 H new ATOM 0 HG3 PRO A 50 2.535 -6.456 -24.836 1.00 42.02 H new ATOM 0 HD2 PRO A 50 0.218 -7.877 -24.979 1.00 34.23 H new ATOM 0 HD3 PRO A 50 1.710 -8.613 -24.430 1.00 34.23 H new ATOM 801 N LEU A 51 -0.158 -5.455 -20.337 1.00 11.53 N ATOM 802 CA LEU A 51 -1.146 -4.495 -19.856 1.00 53.12 C ATOM 803 C LEU A 51 -1.265 -3.311 -20.811 1.00 72.41 C ATOM 804 O LEU A 51 -2.340 -3.037 -21.345 1.00 42.14 O ATOM 805 CB LEU A 51 -0.769 -4.001 -18.458 1.00 61.24 C ATOM 806 CG LEU A 51 -1.763 -3.050 -17.791 1.00 74.43 C ATOM 807 CD1 LEU A 51 -2.960 -3.820 -17.255 1.00 32.12 C ATOM 808 CD2 LEU A 51 -1.087 -2.268 -16.675 1.00 44.35 C ATOM 0 H LEU A 51 0.523 -5.746 -19.636 1.00 11.53 H new ATOM 0 HA LEU A 51 -2.112 -4.999 -19.808 1.00 53.12 H new ATOM 0 HB2 LEU A 51 -0.637 -4.869 -17.811 1.00 61.24 H new ATOM 0 HB3 LEU A 51 0.197 -3.500 -18.520 1.00 61.24 H new ATOM 0 HG LEU A 51 -2.117 -2.342 -18.540 1.00 74.43 H new ATOM 0 HD11 LEU A 51 -3.657 -3.127 -16.784 1.00 32.12 H new ATOM 0 HD12 LEU A 51 -3.459 -4.334 -18.076 1.00 32.12 H new ATOM 0 HD13 LEU A 51 -2.623 -4.551 -16.520 1.00 32.12 H new ATOM 0 HD21 LEU A 51 -1.810 -1.596 -16.212 1.00 44.35 H new ATOM 0 HD22 LEU A 51 -0.704 -2.961 -15.926 1.00 44.35 H new ATOM 0 HD23 LEU A 51 -0.263 -1.686 -17.086 1.00 44.35 H new ATOM 820 N VAL A 52 -0.153 -2.614 -21.023 1.00 33.50 N ATOM 821 CA VAL A 52 -0.132 -1.462 -21.916 1.00 62.32 C ATOM 822 C VAL A 52 -1.085 -1.659 -23.090 1.00 1.23 C ATOM 823 O VAL A 52 -1.816 -0.744 -23.469 1.00 45.54 O ATOM 824 CB VAL A 52 1.286 -1.199 -22.459 1.00 35.13 C ATOM 825 CG1 VAL A 52 1.720 -2.323 -23.387 1.00 35.31 C ATOM 826 CG2 VAL A 52 1.342 0.144 -23.171 1.00 71.45 C ATOM 0 H VAL A 52 0.745 -2.827 -20.588 1.00 33.50 H new ATOM 0 HA VAL A 52 -0.455 -0.601 -21.330 1.00 62.32 H new ATOM 0 HB VAL A 52 1.979 -1.168 -21.618 1.00 35.13 H new ATOM 0 HG11 VAL A 52 2.724 -2.120 -23.760 1.00 35.31 H new ATOM 0 HG12 VAL A 52 1.720 -3.266 -22.841 1.00 35.31 H new ATOM 0 HG13 VAL A 52 1.027 -2.390 -24.226 1.00 35.31 H new ATOM 0 HG21 VAL A 52 2.350 0.314 -23.548 1.00 71.45 H new ATOM 0 HG22 VAL A 52 0.638 0.144 -24.003 1.00 71.45 H new ATOM 0 HG23 VAL A 52 1.078 0.938 -22.472 1.00 71.45 H new ATOM 836 N ASP A 53 -1.072 -2.858 -23.660 1.00 75.51 N ATOM 837 CA ASP A 53 -1.937 -3.177 -24.790 1.00 53.34 C ATOM 838 C ASP A 53 -3.407 -3.039 -24.406 1.00 11.41 C ATOM 839 O ASP A 53 -4.124 -2.196 -24.946 1.00 34.22 O ATOM 840 CB ASP A 53 -1.659 -4.595 -25.289 1.00 60.54 C ATOM 841 CG ASP A 53 -1.141 -4.617 -26.714 1.00 3.11 C ATOM 842 OD1 ASP A 53 0.037 -4.257 -26.922 1.00 33.21 O ATOM 843 OD2 ASP A 53 -1.913 -4.993 -27.621 1.00 2.30 O ATOM 0 H ASP A 53 -0.472 -3.626 -23.358 1.00 75.51 H new ATOM 0 HA ASP A 53 -1.721 -2.470 -25.591 1.00 53.34 H new ATOM 0 HB2 ASP A 53 -0.930 -5.071 -24.633 1.00 60.54 H new ATOM 0 HB3 ASP A 53 -2.574 -5.184 -25.229 1.00 60.54 H new ATOM 848 N VAL A 54 -3.850 -3.872 -23.470 1.00 25.22 N ATOM 849 CA VAL A 54 -5.234 -3.843 -23.013 1.00 22.42 C ATOM 850 C VAL A 54 -5.650 -2.433 -22.610 1.00 32.20 C ATOM 851 O VAL A 54 -6.785 -2.020 -22.846 1.00 41.25 O ATOM 852 CB VAL A 54 -5.450 -4.792 -21.819 1.00 14.35 C ATOM 853 CG1 VAL A 54 -6.835 -4.591 -21.221 1.00 41.23 C ATOM 854 CG2 VAL A 54 -5.249 -6.238 -22.244 1.00 70.21 C ATOM 0 H VAL A 54 -3.270 -4.576 -23.013 1.00 25.22 H new ATOM 0 HA VAL A 54 -5.851 -4.175 -23.848 1.00 22.42 H new ATOM 0 HB VAL A 54 -4.711 -4.557 -21.053 1.00 14.35 H new ATOM 0 HG11 VAL A 54 -6.970 -5.270 -20.379 1.00 41.23 H new ATOM 0 HG12 VAL A 54 -6.937 -3.562 -20.877 1.00 41.23 H new ATOM 0 HG13 VAL A 54 -7.592 -4.797 -21.978 1.00 41.23 H new ATOM 0 HG21 VAL A 54 -5.406 -6.894 -21.388 1.00 70.21 H new ATOM 0 HG22 VAL A 54 -5.963 -6.489 -23.029 1.00 70.21 H new ATOM 0 HG23 VAL A 54 -4.235 -6.369 -22.621 1.00 70.21 H new ATOM 864 N GLN A 55 -4.724 -1.700 -22.001 1.00 10.10 N ATOM 865 CA GLN A 55 -4.996 -0.335 -21.565 1.00 63.21 C ATOM 866 C GLN A 55 -5.448 0.531 -22.736 1.00 64.44 C ATOM 867 O GLN A 55 -6.411 1.287 -22.626 1.00 14.10 O ATOM 868 CB GLN A 55 -3.751 0.273 -20.916 1.00 60.24 C ATOM 869 CG GLN A 55 -3.099 -0.633 -19.884 1.00 41.21 C ATOM 870 CD GLN A 55 -2.861 0.067 -18.561 1.00 12.43 C ATOM 871 OE1 GLN A 55 -2.257 1.139 -18.512 1.00 23.01 O ATOM 872 NE2 GLN A 55 -3.337 -0.536 -17.478 1.00 10.14 N ATOM 0 H GLN A 55 -3.780 -2.028 -21.798 1.00 10.10 H new ATOM 0 HA GLN A 55 -5.801 -0.369 -20.830 1.00 63.21 H new ATOM 0 HB2 GLN A 55 -3.024 0.507 -21.693 1.00 60.24 H new ATOM 0 HB3 GLN A 55 -4.023 1.215 -20.440 1.00 60.24 H new ATOM 0 HG2 GLN A 55 -3.732 -1.505 -19.721 1.00 41.21 H new ATOM 0 HG3 GLN A 55 -2.149 -0.997 -20.274 1.00 41.21 H new ATOM 0 HE21 GLN A 55 -3.832 -1.424 -17.564 1.00 10.14 H new ATOM 0 HE22 GLN A 55 -3.208 -0.111 -16.560 1.00 10.14 H new ATOM 881 N ASN A 56 -4.744 0.414 -23.858 1.00 51.10 N ATOM 882 CA ASN A 56 -5.073 1.187 -25.050 1.00 44.22 C ATOM 883 C ASN A 56 -6.550 1.042 -25.403 1.00 1.14 C ATOM 884 O ASN A 56 -7.159 1.956 -25.958 1.00 74.15 O ATOM 885 CB ASN A 56 -4.209 0.737 -26.230 1.00 23.42 C ATOM 886 CG ASN A 56 -2.941 1.558 -26.365 1.00 54.34 C ATOM 887 OD1 ASN A 56 -2.947 2.770 -26.146 1.00 33.30 O ATOM 888 ND2 ASN A 56 -1.846 0.901 -26.729 1.00 53.02 N ATOM 0 H ASN A 56 -3.943 -0.208 -23.966 1.00 51.10 H new ATOM 0 HA ASN A 56 -4.870 2.237 -24.839 1.00 44.22 H new ATOM 0 HB2 ASN A 56 -3.947 -0.314 -26.105 1.00 23.42 H new ATOM 0 HB3 ASN A 56 -4.788 0.814 -27.150 1.00 23.42 H new ATOM 0 HD21 ASN A 56 -0.964 1.401 -26.837 1.00 53.02 H new ATOM 0 HD22 ASN A 56 -1.887 -0.104 -26.900 1.00 53.02 H new ATOM 895 N VAL A 57 -7.120 -0.113 -25.075 1.00 32.02 N ATOM 896 CA VAL A 57 -8.526 -0.378 -25.355 1.00 14.03 C ATOM 897 C VAL A 57 -9.419 0.701 -24.752 1.00 74.14 C ATOM 898 O VAL A 57 -10.343 1.192 -25.402 1.00 41.21 O ATOM 899 CB VAL A 57 -8.959 -1.751 -24.807 1.00 64.22 C ATOM 900 CG1 VAL A 57 -10.448 -1.970 -25.028 1.00 4.31 C ATOM 901 CG2 VAL A 57 -8.146 -2.862 -25.455 1.00 75.33 C ATOM 0 H VAL A 57 -6.630 -0.880 -24.615 1.00 32.02 H new ATOM 0 HA VAL A 57 -8.638 -0.376 -26.439 1.00 14.03 H new ATOM 0 HB VAL A 57 -8.770 -1.771 -23.734 1.00 64.22 H new ATOM 0 HG11 VAL A 57 -10.735 -2.945 -24.634 1.00 4.31 H new ATOM 0 HG12 VAL A 57 -11.011 -1.191 -24.513 1.00 4.31 H new ATOM 0 HG13 VAL A 57 -10.667 -1.931 -26.095 1.00 4.31 H new ATOM 0 HG21 VAL A 57 -8.464 -3.825 -25.057 1.00 75.33 H new ATOM 0 HG22 VAL A 57 -8.302 -2.846 -26.534 1.00 75.33 H new ATOM 0 HG23 VAL A 57 -7.088 -2.712 -25.239 1.00 75.33 H new ATOM 911 N CYS A 58 -9.138 1.066 -23.506 1.00 50.42 N ATOM 912 CA CYS A 58 -9.915 2.088 -22.814 1.00 61.34 C ATOM 913 C CYS A 58 -9.873 3.411 -23.574 1.00 22.42 C ATOM 914 O CYS A 58 -10.708 4.289 -23.359 1.00 10.32 O ATOM 915 CB CYS A 58 -9.385 2.286 -21.393 1.00 23.00 C ATOM 916 SG CYS A 58 -10.687 2.476 -20.133 1.00 50.14 S ATOM 0 H CYS A 58 -8.377 0.669 -22.954 1.00 50.42 H new ATOM 0 HA CYS A 58 -10.950 1.751 -22.765 1.00 61.34 H new ATOM 0 HB2 CYS A 58 -8.760 1.434 -21.128 1.00 23.00 H new ATOM 0 HB3 CYS A 58 -8.745 3.168 -21.375 1.00 23.00 H new ATOM 921 N PHE A 59 -8.895 3.545 -24.463 1.00 64.02 N ATOM 922 CA PHE A 59 -8.742 4.760 -25.255 1.00 15.44 C ATOM 923 C PHE A 59 -9.007 4.484 -26.732 1.00 12.22 C ATOM 924 O PHE A 59 -8.988 5.397 -27.557 1.00 15.11 O ATOM 925 CB PHE A 59 -7.337 5.338 -25.076 1.00 21.00 C ATOM 926 CG PHE A 59 -6.848 5.298 -23.656 1.00 72.33 C ATOM 927 CD1 PHE A 59 -7.530 5.971 -22.656 1.00 11.24 C ATOM 928 CD2 PHE A 59 -5.707 4.586 -23.322 1.00 74.13 C ATOM 929 CE1 PHE A 59 -7.082 5.936 -21.349 1.00 1.33 C ATOM 930 CE2 PHE A 59 -5.255 4.547 -22.017 1.00 23.01 C ATOM 931 CZ PHE A 59 -5.944 5.222 -21.029 1.00 4.43 C ATOM 0 H PHE A 59 -8.196 2.827 -24.653 1.00 64.02 H new ATOM 0 HA PHE A 59 -9.474 5.487 -24.903 1.00 15.44 H new ATOM 0 HB2 PHE A 59 -6.642 4.784 -25.707 1.00 21.00 H new ATOM 0 HB3 PHE A 59 -7.331 6.371 -25.425 1.00 21.00 H new ATOM 0 HD1 PHE A 59 -8.422 6.529 -22.900 1.00 11.24 H new ATOM 0 HD2 PHE A 59 -5.165 4.055 -24.091 1.00 74.13 H new ATOM 0 HE1 PHE A 59 -7.621 6.467 -20.578 1.00 1.33 H new ATOM 0 HE2 PHE A 59 -4.364 3.989 -21.770 1.00 23.01 H new ATOM 0 HZ PHE A 59 -5.594 5.192 -20.008 1.00 4.43 H new ATOM 941 N GLN A 60 -9.253 3.219 -27.056 1.00 64.14 N ATOM 942 CA GLN A 60 -9.520 2.822 -28.434 1.00 2.22 C ATOM 943 C GLN A 60 -11.019 2.798 -28.712 1.00 71.02 C ATOM 944 O GLN A 60 -11.528 3.605 -29.489 1.00 71.35 O ATOM 945 CB GLN A 60 -8.914 1.446 -28.717 1.00 51.41 C ATOM 946 CG GLN A 60 -7.394 1.444 -28.739 1.00 72.34 C ATOM 947 CD GLN A 60 -6.831 0.937 -30.052 1.00 44.24 C ATOM 948 OE1 GLN A 60 -6.620 1.708 -30.989 1.00 63.13 O ATOM 949 NE2 GLN A 60 -6.583 -0.365 -30.128 1.00 31.34 N ATOM 0 H GLN A 60 -9.273 2.452 -26.384 1.00 64.14 H new ATOM 0 HA GLN A 60 -9.058 3.557 -29.094 1.00 2.22 H new ATOM 0 HB2 GLN A 60 -9.259 0.743 -27.959 1.00 51.41 H new ATOM 0 HB3 GLN A 60 -9.284 1.086 -29.677 1.00 51.41 H new ATOM 0 HG2 GLN A 60 -7.030 2.456 -28.558 1.00 72.34 H new ATOM 0 HG3 GLN A 60 -7.023 0.822 -27.924 1.00 72.34 H new ATOM 0 HE21 GLN A 60 -6.773 -0.968 -29.327 1.00 31.34 H new ATOM 0 HE22 GLN A 60 -6.203 -0.762 -30.987 1.00 31.34 H new ATOM 958 N GLU A 61 -11.720 1.867 -28.072 1.00 61.05 N ATOM 959 CA GLU A 61 -13.161 1.738 -28.253 1.00 71.12 C ATOM 960 C GLU A 61 -13.887 1.816 -26.913 1.00 63.30 C ATOM 961 O GLU A 61 -13.258 1.854 -25.855 1.00 34.11 O ATOM 962 CB GLU A 61 -13.494 0.417 -28.950 1.00 22.22 C ATOM 963 CG GLU A 61 -14.870 0.397 -29.593 1.00 14.53 C ATOM 964 CD GLU A 61 -14.991 -0.650 -30.683 1.00 5.41 C ATOM 965 OE1 GLU A 61 -14.337 -0.490 -31.735 1.00 2.44 O ATOM 966 OE2 GLU A 61 -15.739 -1.630 -30.484 1.00 3.55 O ATOM 0 H GLU A 61 -11.314 1.192 -27.424 1.00 61.05 H new ATOM 0 HA GLU A 61 -13.498 2.565 -28.878 1.00 71.12 H new ATOM 0 HB2 GLU A 61 -12.742 0.220 -29.714 1.00 22.22 H new ATOM 0 HB3 GLU A 61 -13.430 -0.393 -28.224 1.00 22.22 H new ATOM 0 HG2 GLU A 61 -15.622 0.207 -28.827 1.00 14.53 H new ATOM 0 HG3 GLU A 61 -15.085 1.380 -30.013 1.00 14.53 H new ATOM 973 N LYS A 62 -15.214 1.840 -26.966 1.00 71.42 N ATOM 974 CA LYS A 62 -16.027 1.912 -25.758 1.00 55.02 C ATOM 975 C LYS A 62 -17.285 1.061 -25.897 1.00 74.35 C ATOM 976 O LYS A 62 -17.779 0.840 -27.004 1.00 3.33 O ATOM 977 CB LYS A 62 -16.411 3.364 -25.464 1.00 35.24 C ATOM 978 CG LYS A 62 -17.061 3.557 -24.104 1.00 54.24 C ATOM 979 CD LYS A 62 -18.552 3.825 -24.232 1.00 23.10 C ATOM 980 CE LYS A 62 -18.822 5.181 -24.864 1.00 52.45 C ATOM 981 NZ LYS A 62 -19.676 6.038 -23.996 1.00 1.23 N ATOM 0 H LYS A 62 -15.750 1.811 -27.833 1.00 71.42 H new ATOM 0 HA LYS A 62 -15.436 1.523 -24.929 1.00 55.02 H new ATOM 0 HB2 LYS A 62 -15.518 3.986 -25.522 1.00 35.24 H new ATOM 0 HB3 LYS A 62 -17.095 3.714 -26.237 1.00 35.24 H new ATOM 0 HG2 LYS A 62 -16.901 2.668 -23.494 1.00 54.24 H new ATOM 0 HG3 LYS A 62 -16.584 4.389 -23.586 1.00 54.24 H new ATOM 0 HD2 LYS A 62 -19.013 3.043 -24.835 1.00 23.10 H new ATOM 0 HD3 LYS A 62 -19.016 3.783 -23.247 1.00 23.10 H new ATOM 0 HE2 LYS A 62 -17.876 5.687 -25.056 1.00 52.45 H new ATOM 0 HE3 LYS A 62 -19.310 5.041 -25.829 1.00 52.45 H new ATOM 0 HZ1 LYS A 62 -19.837 6.953 -24.463 1.00 1.23 H new ATOM 0 HZ2 LYS A 62 -20.589 5.567 -23.834 1.00 1.23 H new ATOM 0 HZ3 LYS A 62 -19.200 6.193 -23.085 1.00 1.23 H new ATOM 995 N VAL A 63 -17.801 0.585 -24.768 1.00 40.41 N ATOM 996 CA VAL A 63 -19.003 -0.240 -24.764 1.00 52.52 C ATOM 997 C VAL A 63 -19.818 -0.018 -23.495 1.00 25.14 C ATOM 998 O VAL A 63 -19.421 0.746 -22.614 1.00 22.12 O ATOM 999 CB VAL A 63 -18.658 -1.736 -24.885 1.00 4.31 C ATOM 1000 CG1 VAL A 63 -17.502 -1.941 -25.853 1.00 55.30 C ATOM 1001 CG2 VAL A 63 -18.329 -2.318 -23.519 1.00 3.14 C ATOM 0 H VAL A 63 -17.405 0.757 -23.844 1.00 40.41 H new ATOM 0 HA VAL A 63 -19.595 0.059 -25.629 1.00 52.52 H new ATOM 0 HB VAL A 63 -19.528 -2.261 -25.279 1.00 4.31 H new ATOM 0 HG11 VAL A 63 -17.272 -3.004 -25.926 1.00 55.30 H new ATOM 0 HG12 VAL A 63 -17.779 -1.562 -26.837 1.00 55.30 H new ATOM 0 HG13 VAL A 63 -16.625 -1.404 -25.491 1.00 55.30 H new ATOM 0 HG21 VAL A 63 -18.088 -3.376 -23.623 1.00 3.14 H new ATOM 0 HG22 VAL A 63 -17.474 -1.791 -23.095 1.00 3.14 H new ATOM 0 HG23 VAL A 63 -19.189 -2.205 -22.859 1.00 3.14 H new ATOM 1011 N THR A 64 -20.960 -0.692 -23.406 1.00 31.03 N ATOM 1012 CA THR A 64 -21.832 -0.569 -22.244 1.00 43.22 C ATOM 1013 C THR A 64 -21.368 -1.476 -21.110 1.00 41.40 C ATOM 1014 O THR A 64 -20.707 -2.489 -21.342 1.00 11.52 O ATOM 1015 CB THR A 64 -23.291 -0.913 -22.598 1.00 22.32 C ATOM 1016 OG1 THR A 64 -23.470 -0.886 -24.018 1.00 53.02 O ATOM 1017 CG2 THR A 64 -24.252 0.066 -21.941 1.00 74.41 C ATOM 0 H THR A 64 -21.303 -1.329 -24.125 1.00 31.03 H new ATOM 0 HA THR A 64 -21.780 0.470 -21.918 1.00 43.22 H new ATOM 0 HB THR A 64 -23.506 -1.914 -22.225 1.00 22.32 H new ATOM 0 HG1 THR A 64 -24.400 -1.107 -24.235 1.00 53.02 H new ATOM 0 HG21 THR A 64 -25.276 -0.197 -22.205 1.00 74.41 H new ATOM 0 HG22 THR A 64 -24.134 0.021 -20.858 1.00 74.41 H new ATOM 0 HG23 THR A 64 -24.036 1.076 -22.288 1.00 74.41 H new ATOM 1025 N CYS A 65 -21.718 -1.106 -19.883 1.00 34.54 N ATOM 1026 CA CYS A 65 -21.339 -1.887 -18.711 1.00 44.31 C ATOM 1027 C CYS A 65 -22.573 -2.362 -17.950 1.00 51.23 C ATOM 1028 O CYS A 65 -23.679 -1.865 -18.166 1.00 3.54 O ATOM 1029 CB CYS A 65 -20.445 -1.057 -17.787 1.00 41.45 C ATOM 1030 SG CYS A 65 -18.748 -1.698 -17.621 1.00 32.54 S ATOM 0 H CYS A 65 -22.264 -0.270 -19.674 1.00 34.54 H new ATOM 0 HA CYS A 65 -20.786 -2.762 -19.052 1.00 44.31 H new ATOM 0 HB2 CYS A 65 -20.401 -0.035 -18.164 1.00 41.45 H new ATOM 0 HB3 CYS A 65 -20.903 -1.013 -16.799 1.00 41.45 H new ATOM 1035 N LYS A 66 -22.377 -3.328 -17.059 1.00 44.42 N ATOM 1036 CA LYS A 66 -23.472 -3.870 -16.264 1.00 61.33 C ATOM 1037 C LYS A 66 -24.351 -2.752 -15.714 1.00 3.34 C ATOM 1038 O LYS A 66 -25.569 -2.896 -15.620 1.00 42.24 O ATOM 1039 CB LYS A 66 -22.923 -4.716 -15.113 1.00 34.20 C ATOM 1040 CG LYS A 66 -22.343 -6.047 -15.559 1.00 32.22 C ATOM 1041 CD LYS A 66 -23.085 -7.216 -14.934 1.00 35.42 C ATOM 1042 CE LYS A 66 -22.753 -8.526 -15.633 1.00 3.32 C ATOM 1043 NZ LYS A 66 -23.761 -8.871 -16.673 1.00 45.44 N ATOM 0 H LYS A 66 -21.469 -3.752 -16.869 1.00 44.42 H new ATOM 0 HA LYS A 66 -24.081 -4.500 -16.912 1.00 61.33 H new ATOM 0 HB2 LYS A 66 -22.151 -4.149 -14.593 1.00 34.20 H new ATOM 0 HB3 LYS A 66 -23.722 -4.900 -14.395 1.00 34.20 H new ATOM 0 HG2 LYS A 66 -22.394 -6.121 -16.645 1.00 32.22 H new ATOM 0 HG3 LYS A 66 -21.289 -6.096 -15.285 1.00 32.22 H new ATOM 0 HD2 LYS A 66 -22.825 -7.290 -13.878 1.00 35.42 H new ATOM 0 HD3 LYS A 66 -24.159 -7.036 -14.987 1.00 35.42 H new ATOM 0 HE2 LYS A 66 -21.767 -8.453 -16.093 1.00 3.32 H new ATOM 0 HE3 LYS A 66 -22.702 -9.328 -14.896 1.00 3.32 H new ATOM 0 HZ1 LYS A 66 -23.499 -9.770 -17.126 1.00 45.44 H new ATOM 0 HZ2 LYS A 66 -24.697 -8.966 -16.231 1.00 45.44 H new ATOM 0 HZ3 LYS A 66 -23.792 -8.118 -17.390 1.00 45.44 H new ATOM 1057 N ASN A 67 -23.724 -1.637 -15.351 1.00 51.03 N ATOM 1058 CA ASN A 67 -24.450 -0.493 -14.811 1.00 20.44 C ATOM 1059 C ASN A 67 -25.214 0.236 -15.911 1.00 74.44 C ATOM 1060 O ASN A 67 -26.289 0.786 -15.676 1.00 33.44 O ATOM 1061 CB ASN A 67 -23.483 0.471 -14.121 1.00 50.20 C ATOM 1062 CG ASN A 67 -24.147 1.780 -13.739 1.00 5.12 C ATOM 1063 OD1 ASN A 67 -25.307 1.804 -13.329 1.00 54.14 O ATOM 1064 ND2 ASN A 67 -23.410 2.877 -13.871 1.00 53.34 N ATOM 0 H ASN A 67 -22.715 -1.502 -15.421 1.00 51.03 H new ATOM 0 HA ASN A 67 -25.168 -0.863 -14.079 1.00 20.44 H new ATOM 0 HB2 ASN A 67 -23.078 -0.003 -13.227 1.00 50.20 H new ATOM 0 HB3 ASN A 67 -22.641 0.673 -14.783 1.00 50.20 H new ATOM 0 HD21 ASN A 67 -23.802 3.787 -13.628 1.00 53.34 H new ATOM 0 HD22 ASN A 67 -22.452 2.810 -14.215 1.00 53.34 H new ATOM 1071 N GLY A 68 -24.651 0.235 -17.116 1.00 73.30 N ATOM 1072 CA GLY A 68 -25.293 0.898 -18.236 1.00 14.24 C ATOM 1073 C GLY A 68 -24.563 2.156 -18.660 1.00 43.54 C ATOM 1074 O GLY A 68 -25.157 3.055 -19.255 1.00 42.14 O ATOM 0 H GLY A 68 -23.762 -0.213 -17.336 1.00 73.30 H new ATOM 0 HA2 GLY A 68 -25.346 0.210 -19.080 1.00 14.24 H new ATOM 0 HA3 GLY A 68 -26.318 1.150 -17.966 1.00 14.24 H new ATOM 1078 N GLN A 69 -23.271 2.221 -18.353 1.00 13.41 N ATOM 1079 CA GLN A 69 -22.460 3.381 -18.705 1.00 60.43 C ATOM 1080 C GLN A 69 -21.278 2.973 -19.579 1.00 30.45 C ATOM 1081 O GLN A 69 -21.074 1.791 -19.852 1.00 22.45 O ATOM 1082 CB GLN A 69 -21.958 4.081 -17.442 1.00 2.24 C ATOM 1083 CG GLN A 69 -23.047 4.824 -16.685 1.00 4.44 C ATOM 1084 CD GLN A 69 -23.670 5.938 -17.502 1.00 44.55 C ATOM 1085 OE1 GLN A 69 -23.023 6.944 -17.797 1.00 50.21 O ATOM 1086 NE2 GLN A 69 -24.932 5.765 -17.875 1.00 14.15 N ATOM 0 H GLN A 69 -22.764 1.485 -17.862 1.00 13.41 H new ATOM 0 HA GLN A 69 -23.085 4.072 -19.270 1.00 60.43 H new ATOM 0 HB2 GLN A 69 -21.508 3.341 -16.781 1.00 2.24 H new ATOM 0 HB3 GLN A 69 -21.172 4.785 -17.715 1.00 2.24 H new ATOM 0 HG2 GLN A 69 -23.823 4.119 -16.388 1.00 4.44 H new ATOM 0 HG3 GLN A 69 -22.628 5.241 -15.769 1.00 4.44 H new ATOM 0 HE21 GLN A 69 -25.431 4.916 -17.609 1.00 14.15 H new ATOM 0 HE22 GLN A 69 -25.403 6.481 -18.428 1.00 14.15 H new ATOM 1095 N GLY A 70 -20.502 3.960 -20.015 1.00 2.34 N ATOM 1096 CA GLY A 70 -19.350 3.684 -20.853 1.00 71.41 C ATOM 1097 C GLY A 70 -18.138 3.254 -20.050 1.00 73.12 C ATOM 1098 O GLY A 70 -17.004 3.563 -20.413 1.00 11.14 O ATOM 0 H GLY A 70 -20.651 4.947 -19.803 1.00 2.34 H new ATOM 0 HA2 GLY A 70 -19.604 2.902 -21.568 1.00 71.41 H new ATOM 0 HA3 GLY A 70 -19.102 4.575 -21.430 1.00 71.41 H new ATOM 1102 N ASN A 71 -18.379 2.540 -18.955 1.00 44.11 N ATOM 1103 CA ASN A 71 -17.297 2.069 -18.097 1.00 53.31 C ATOM 1104 C ASN A 71 -16.610 0.852 -18.707 1.00 22.50 C ATOM 1105 O ASN A 71 -15.530 0.451 -18.271 1.00 34.35 O ATOM 1106 CB ASN A 71 -17.835 1.723 -16.707 1.00 73.44 C ATOM 1107 CG ASN A 71 -16.726 1.492 -15.699 1.00 13.30 C ATOM 1108 OD1 ASN A 71 -16.541 2.281 -14.772 1.00 53.21 O ATOM 1109 ND2 ASN A 71 -15.982 0.407 -15.876 1.00 42.11 N ATOM 0 H ASN A 71 -19.313 2.275 -18.641 1.00 44.11 H new ATOM 0 HA ASN A 71 -16.563 2.870 -18.006 1.00 53.31 H new ATOM 0 HB2 ASN A 71 -18.477 2.531 -16.357 1.00 73.44 H new ATOM 0 HB3 ASN A 71 -18.455 0.829 -16.772 1.00 73.44 H new ATOM 0 HD21 ASN A 71 -15.221 0.199 -15.229 1.00 42.11 H new ATOM 0 HD22 ASN A 71 -16.171 -0.219 -16.659 1.00 42.11 H new ATOM 1116 N CYS A 72 -17.242 0.267 -19.719 1.00 51.11 N ATOM 1117 CA CYS A 72 -16.693 -0.905 -20.390 1.00 42.32 C ATOM 1118 C CYS A 72 -16.094 -0.526 -21.742 1.00 24.53 C ATOM 1119 O CYS A 72 -16.395 0.533 -22.292 1.00 11.03 O ATOM 1120 CB CYS A 72 -17.779 -1.965 -20.580 1.00 60.35 C ATOM 1121 SG CYS A 72 -18.200 -2.879 -19.062 1.00 30.12 S ATOM 0 H CYS A 72 -18.136 0.586 -20.093 1.00 51.11 H new ATOM 0 HA CYS A 72 -15.901 -1.315 -19.763 1.00 42.32 H new ATOM 0 HB2 CYS A 72 -18.679 -1.483 -20.963 1.00 60.35 H new ATOM 0 HB3 CYS A 72 -17.450 -2.675 -21.339 1.00 60.35 H new ATOM 1126 N TYR A 73 -15.244 -1.400 -22.271 1.00 11.21 N ATOM 1127 CA TYR A 73 -14.601 -1.157 -23.557 1.00 25.24 C ATOM 1128 C TYR A 73 -14.132 -2.465 -24.187 1.00 21.33 C ATOM 1129 O TYR A 73 -13.791 -3.419 -23.487 1.00 12.05 O ATOM 1130 CB TYR A 73 -13.414 -0.207 -23.386 1.00 13.24 C ATOM 1131 CG TYR A 73 -13.647 0.872 -22.353 1.00 10.45 C ATOM 1132 CD1 TYR A 73 -13.538 0.597 -20.995 1.00 51.51 C ATOM 1133 CD2 TYR A 73 -13.975 2.168 -22.734 1.00 70.44 C ATOM 1134 CE1 TYR A 73 -13.751 1.580 -20.048 1.00 3.31 C ATOM 1135 CE2 TYR A 73 -14.188 3.157 -21.794 1.00 41.22 C ATOM 1136 CZ TYR A 73 -14.075 2.858 -20.452 1.00 51.53 C ATOM 1137 OH TYR A 73 -14.286 3.841 -19.512 1.00 33.30 O ATOM 0 H TYR A 73 -14.985 -2.282 -21.829 1.00 11.21 H new ATOM 0 HA TYR A 73 -15.334 -0.697 -24.220 1.00 25.24 H new ATOM 0 HB2 TYR A 73 -12.534 -0.785 -23.103 1.00 13.24 H new ATOM 0 HB3 TYR A 73 -13.193 0.261 -24.345 1.00 13.24 H new ATOM 0 HD1 TYR A 73 -13.282 -0.402 -20.675 1.00 51.51 H new ATOM 0 HD2 TYR A 73 -14.065 2.406 -23.784 1.00 70.44 H new ATOM 0 HE1 TYR A 73 -13.664 1.349 -18.997 1.00 3.31 H new ATOM 0 HE2 TYR A 73 -14.442 4.159 -22.108 1.00 41.22 H new ATOM 0 HH TYR A 73 -13.435 4.075 -19.086 1.00 33.30 H new ATOM 1147 N LYS A 74 -14.117 -2.502 -25.515 1.00 21.52 N ATOM 1148 CA LYS A 74 -13.689 -3.691 -26.243 1.00 21.24 C ATOM 1149 C LYS A 74 -12.419 -3.413 -27.041 1.00 13.40 C ATOM 1150 O LYS A 74 -12.273 -2.348 -27.641 1.00 12.31 O ATOM 1151 CB LYS A 74 -14.800 -4.167 -27.181 1.00 60.40 C ATOM 1152 CG LYS A 74 -15.900 -4.943 -26.477 1.00 61.00 C ATOM 1153 CD LYS A 74 -17.235 -4.786 -27.186 1.00 44.01 C ATOM 1154 CE LYS A 74 -17.551 -5.995 -28.053 1.00 43.02 C ATOM 1155 NZ LYS A 74 -18.441 -5.642 -29.194 1.00 5.01 N ATOM 0 H LYS A 74 -14.396 -1.722 -26.110 1.00 21.52 H new ATOM 0 HA LYS A 74 -13.475 -4.474 -25.516 1.00 21.24 H new ATOM 0 HB2 LYS A 74 -15.239 -3.302 -27.679 1.00 60.40 H new ATOM 0 HB3 LYS A 74 -14.364 -4.795 -27.958 1.00 60.40 H new ATOM 0 HG2 LYS A 74 -15.632 -5.999 -26.434 1.00 61.00 H new ATOM 0 HG3 LYS A 74 -15.990 -4.595 -25.448 1.00 61.00 H new ATOM 0 HD2 LYS A 74 -18.026 -4.649 -26.449 1.00 44.01 H new ATOM 0 HD3 LYS A 74 -17.217 -3.888 -27.804 1.00 44.01 H new ATOM 0 HE2 LYS A 74 -16.623 -6.421 -28.435 1.00 43.02 H new ATOM 0 HE3 LYS A 74 -18.028 -6.763 -27.445 1.00 43.02 H new ATOM 0 HZ1 LYS A 74 -18.633 -6.493 -29.761 1.00 5.01 H new ATOM 0 HZ2 LYS A 74 -19.337 -5.259 -28.830 1.00 5.01 H new ATOM 0 HZ3 LYS A 74 -17.976 -4.927 -29.789 1.00 5.01 H new ATOM 1169 N SER A 75 -11.505 -4.377 -27.045 1.00 5.12 N ATOM 1170 CA SER A 75 -10.246 -4.234 -27.768 1.00 74.00 C ATOM 1171 C SER A 75 -10.496 -4.044 -29.261 1.00 75.30 C ATOM 1172 O SER A 75 -11.397 -4.656 -29.833 1.00 73.31 O ATOM 1173 CB SER A 75 -9.360 -5.460 -27.540 1.00 33.15 C ATOM 1174 OG SER A 75 -10.056 -6.656 -27.846 1.00 21.24 O ATOM 0 H SER A 75 -11.612 -5.266 -26.556 1.00 5.12 H new ATOM 0 HA SER A 75 -9.735 -3.350 -27.387 1.00 74.00 H new ATOM 0 HB2 SER A 75 -8.466 -5.387 -28.160 1.00 33.15 H new ATOM 0 HB3 SER A 75 -9.027 -5.484 -26.502 1.00 33.15 H new ATOM 0 HG SER A 75 -9.699 -7.040 -28.674 1.00 21.24 H new ATOM 1180 N ASN A 76 -9.691 -3.191 -29.886 1.00 33.13 N ATOM 1181 CA ASN A 76 -9.825 -2.919 -31.312 1.00 63.24 C ATOM 1182 C ASN A 76 -9.272 -4.075 -32.140 1.00 72.34 C ATOM 1183 O ASN A 76 -9.186 -3.990 -33.365 1.00 55.34 O ATOM 1184 CB ASN A 76 -9.097 -1.623 -31.676 1.00 31.30 C ATOM 1185 CG ASN A 76 -10.054 -0.510 -32.056 1.00 11.14 C ATOM 1186 OD1 ASN A 76 -10.199 -0.175 -33.231 1.00 42.52 O ATOM 1187 ND2 ASN A 76 -10.713 0.069 -31.059 1.00 10.24 N ATOM 0 H ASN A 76 -8.939 -2.676 -29.427 1.00 33.13 H new ATOM 0 HA ASN A 76 -10.886 -2.808 -31.537 1.00 63.24 H new ATOM 0 HB2 ASN A 76 -8.488 -1.302 -30.831 1.00 31.30 H new ATOM 0 HB3 ASN A 76 -8.416 -1.813 -32.506 1.00 31.30 H new ATOM 0 HD21 ASN A 76 -11.371 0.824 -31.253 1.00 10.24 H new ATOM 0 HD22 ASN A 76 -10.561 -0.241 -30.099 1.00 10.24 H new ATOM 1194 N SER A 77 -8.899 -5.156 -31.463 1.00 31.23 N ATOM 1195 CA SER A 77 -8.352 -6.329 -32.135 1.00 1.21 C ATOM 1196 C SER A 77 -8.279 -7.517 -31.181 1.00 20.30 C ATOM 1197 O SER A 77 -8.491 -7.375 -29.977 1.00 0.32 O ATOM 1198 CB SER A 77 -6.960 -6.021 -32.691 1.00 54.13 C ATOM 1199 OG SER A 77 -6.945 -6.111 -34.105 1.00 52.24 O ATOM 0 H SER A 77 -8.966 -5.244 -30.449 1.00 31.23 H new ATOM 0 HA SER A 77 -9.016 -6.588 -32.960 1.00 1.21 H new ATOM 0 HB2 SER A 77 -6.655 -5.021 -32.384 1.00 54.13 H new ATOM 0 HB3 SER A 77 -6.235 -6.718 -32.271 1.00 54.13 H new ATOM 0 HG SER A 77 -6.045 -5.908 -34.436 1.00 52.24 H new ATOM 1205 N SER A 78 -7.978 -8.690 -31.729 1.00 24.21 N ATOM 1206 CA SER A 78 -7.880 -9.905 -30.929 1.00 32.25 C ATOM 1207 C SER A 78 -6.768 -9.785 -29.891 1.00 44.15 C ATOM 1208 O SER A 78 -5.962 -8.855 -29.935 1.00 32.55 O ATOM 1209 CB SER A 78 -7.625 -11.115 -31.829 1.00 63.31 C ATOM 1210 OG SER A 78 -6.451 -10.937 -32.602 1.00 45.11 O ATOM 0 H SER A 78 -7.798 -8.825 -32.724 1.00 24.21 H new ATOM 0 HA SER A 78 -8.827 -10.043 -30.407 1.00 32.25 H new ATOM 0 HB2 SER A 78 -7.529 -12.013 -31.218 1.00 63.31 H new ATOM 0 HB3 SER A 78 -8.479 -11.268 -32.489 1.00 63.31 H new ATOM 0 HG SER A 78 -6.309 -11.725 -33.167 1.00 45.11 H new ATOM 1216 N MET A 79 -6.731 -10.732 -28.960 1.00 65.21 N ATOM 1217 CA MET A 79 -5.716 -10.734 -27.912 1.00 54.31 C ATOM 1218 C MET A 79 -5.539 -12.132 -27.329 1.00 71.12 C ATOM 1219 O MET A 79 -6.516 -12.813 -27.014 1.00 41.41 O ATOM 1220 CB MET A 79 -6.097 -9.751 -26.803 1.00 41.32 C ATOM 1221 CG MET A 79 -5.273 -8.473 -26.814 1.00 71.35 C ATOM 1222 SD MET A 79 -6.295 -6.988 -26.850 1.00 61.10 S ATOM 1223 CE MET A 79 -5.256 -5.841 -25.948 1.00 35.13 C ATOM 0 H MET A 79 -7.391 -11.508 -28.909 1.00 65.21 H new ATOM 0 HA MET A 79 -4.770 -10.423 -28.356 1.00 54.31 H new ATOM 0 HB2 MET A 79 -7.152 -9.494 -26.903 1.00 41.32 H new ATOM 0 HB3 MET A 79 -5.978 -10.242 -25.837 1.00 41.32 H new ATOM 0 HG2 MET A 79 -4.635 -8.449 -25.930 1.00 71.35 H new ATOM 0 HG3 MET A 79 -4.614 -8.477 -27.683 1.00 71.35 H new ATOM 0 HE1 MET A 79 -5.802 -4.913 -25.777 1.00 35.13 H new ATOM 0 HE2 MET A 79 -4.976 -6.279 -24.990 1.00 35.13 H new ATOM 0 HE3 MET A 79 -4.357 -5.632 -26.527 1.00 35.13 H new ATOM 1233 N HIS A 80 -4.287 -12.555 -27.189 1.00 21.54 N ATOM 1234 CA HIS A 80 -3.982 -13.873 -26.643 1.00 32.41 C ATOM 1235 C HIS A 80 -4.544 -14.020 -25.232 1.00 70.41 C ATOM 1236 O HIS A 80 -4.460 -13.097 -24.421 1.00 74.53 O ATOM 1237 CB HIS A 80 -2.471 -14.106 -26.630 1.00 31.25 C ATOM 1238 CG HIS A 80 -1.829 -13.950 -27.974 1.00 31.14 C ATOM 1239 ND1 HIS A 80 -1.124 -12.825 -28.345 1.00 2.34 N ATOM 1240 CD2 HIS A 80 -1.787 -14.786 -29.037 1.00 72.13 C ATOM 1241 CE1 HIS A 80 -0.677 -12.975 -29.579 1.00 14.41 C ATOM 1242 NE2 HIS A 80 -1.066 -14.157 -30.022 1.00 1.32 N ATOM 0 H HIS A 80 -3.467 -12.005 -27.446 1.00 21.54 H new ATOM 0 HA HIS A 80 -4.452 -14.621 -27.282 1.00 32.41 H new ATOM 0 HB2 HIS A 80 -2.010 -13.406 -25.933 1.00 31.25 H new ATOM 0 HB3 HIS A 80 -2.270 -15.109 -26.255 1.00 31.25 H new ATOM 0 HD2 HIS A 80 -2.237 -15.766 -29.099 1.00 72.13 H new ATOM 0 HE1 HIS A 80 -0.093 -12.254 -30.132 1.00 14.41 H new ATOM 0 HE2 HIS A 80 -0.864 -14.540 -30.945 1.00 1.32 H new ATOM 1250 N ILE A 81 -5.116 -15.185 -24.947 1.00 35.12 N ATOM 1251 CA ILE A 81 -5.691 -15.452 -23.634 1.00 54.13 C ATOM 1252 C ILE A 81 -5.824 -16.951 -23.386 1.00 43.34 C ATOM 1253 O ILE A 81 -5.820 -17.750 -24.324 1.00 3.43 O ATOM 1254 CB ILE A 81 -7.075 -14.794 -23.481 1.00 54.35 C ATOM 1255 CG1 ILE A 81 -8.101 -15.499 -24.371 1.00 61.13 C ATOM 1256 CG2 ILE A 81 -6.998 -13.313 -23.824 1.00 34.33 C ATOM 1257 CD1 ILE A 81 -7.997 -15.118 -25.832 1.00 34.14 C ATOM 0 H ILE A 81 -5.194 -15.959 -25.607 1.00 35.12 H new ATOM 0 HA ILE A 81 -5.010 -15.023 -22.899 1.00 54.13 H new ATOM 0 HB ILE A 81 -7.394 -14.891 -22.443 1.00 54.35 H new ATOM 0 HG12 ILE A 81 -7.973 -16.577 -24.275 1.00 61.13 H new ATOM 0 HG13 ILE A 81 -9.103 -15.264 -24.013 1.00 61.13 H new ATOM 0 HG21 ILE A 81 -7.984 -12.862 -23.711 1.00 34.33 H new ATOM 0 HG22 ILE A 81 -6.294 -12.820 -23.153 1.00 34.33 H new ATOM 0 HG23 ILE A 81 -6.661 -13.195 -24.854 1.00 34.33 H new ATOM 0 HD11 ILE A 81 -8.754 -15.655 -26.403 1.00 34.14 H new ATOM 0 HD12 ILE A 81 -8.155 -14.045 -25.940 1.00 34.14 H new ATOM 0 HD13 ILE A 81 -7.007 -15.379 -26.206 1.00 34.14 H new ATOM 1269 N THR A 82 -5.943 -17.327 -22.117 1.00 3.02 N ATOM 1270 CA THR A 82 -6.077 -18.730 -21.745 1.00 11.33 C ATOM 1271 C THR A 82 -7.337 -18.961 -20.918 1.00 42.02 C ATOM 1272 O THR A 82 -7.383 -18.628 -19.734 1.00 33.53 O ATOM 1273 CB THR A 82 -4.855 -19.218 -20.945 1.00 21.24 C ATOM 1274 OG1 THR A 82 -3.719 -18.395 -21.234 1.00 32.40 O ATOM 1275 CG2 THR A 82 -4.535 -20.668 -21.277 1.00 10.14 C ATOM 0 H THR A 82 -5.949 -16.679 -21.329 1.00 3.02 H new ATOM 0 HA THR A 82 -6.145 -19.298 -22.673 1.00 11.33 H new ATOM 0 HB THR A 82 -5.092 -19.149 -19.883 1.00 21.24 H new ATOM 0 HG1 THR A 82 -2.908 -18.946 -21.237 1.00 32.40 H new ATOM 0 HG21 THR A 82 -3.668 -20.991 -20.700 1.00 10.14 H new ATOM 0 HG22 THR A 82 -5.391 -21.296 -21.028 1.00 10.14 H new ATOM 0 HG23 THR A 82 -4.316 -20.758 -22.341 1.00 10.14 H new ATOM 1283 N ASP A 83 -8.356 -19.533 -21.549 1.00 71.14 N ATOM 1284 CA ASP A 83 -9.617 -19.811 -20.871 1.00 42.21 C ATOM 1285 C ASP A 83 -9.419 -20.829 -19.753 1.00 33.42 C ATOM 1286 O ASP A 83 -8.851 -21.901 -19.967 1.00 52.44 O ATOM 1287 CB ASP A 83 -10.655 -20.326 -21.869 1.00 40.33 C ATOM 1288 CG ASP A 83 -11.864 -19.416 -21.968 1.00 62.13 C ATOM 1289 OD1 ASP A 83 -11.761 -18.245 -21.547 1.00 30.55 O ATOM 1290 OD2 ASP A 83 -12.913 -19.875 -22.467 1.00 30.31 O ATOM 0 H ASP A 83 -8.334 -19.813 -22.529 1.00 71.14 H new ATOM 0 HA ASP A 83 -9.978 -18.881 -20.432 1.00 42.21 H new ATOM 0 HB2 ASP A 83 -10.194 -20.421 -22.852 1.00 40.33 H new ATOM 0 HB3 ASP A 83 -10.978 -21.323 -21.571 1.00 40.33 H new ATOM 1295 N CYS A 84 -9.891 -20.488 -18.558 1.00 40.14 N ATOM 1296 CA CYS A 84 -9.766 -21.371 -17.405 1.00 45.11 C ATOM 1297 C CYS A 84 -11.110 -21.544 -16.704 1.00 23.11 C ATOM 1298 O CYS A 84 -11.551 -20.668 -15.961 1.00 13.52 O ATOM 1299 CB CYS A 84 -8.733 -20.816 -16.422 1.00 23.51 C ATOM 1300 SG CYS A 84 -7.053 -20.668 -17.112 1.00 75.35 S ATOM 0 H CYS A 84 -10.364 -19.605 -18.363 1.00 40.14 H new ATOM 0 HA CYS A 84 -9.433 -22.347 -17.760 1.00 45.11 H new ATOM 0 HB2 CYS A 84 -9.062 -19.834 -16.082 1.00 23.51 H new ATOM 0 HB3 CYS A 84 -8.698 -21.462 -15.545 1.00 23.51 H new ATOM 1305 N ARG A 85 -11.755 -22.681 -16.946 1.00 2.43 N ATOM 1306 CA ARG A 85 -13.049 -22.969 -16.339 1.00 4.23 C ATOM 1307 C ARG A 85 -13.029 -24.321 -15.632 1.00 64.11 C ATOM 1308 O ARG A 85 -12.469 -25.292 -16.143 1.00 31.41 O ATOM 1309 CB ARG A 85 -14.149 -22.953 -17.401 1.00 52.21 C ATOM 1310 CG ARG A 85 -15.478 -23.504 -16.910 1.00 62.11 C ATOM 1311 CD ARG A 85 -16.625 -23.082 -17.815 1.00 3.32 C ATOM 1312 NE ARG A 85 -17.898 -23.040 -17.101 1.00 32.10 N ATOM 1313 CZ ARG A 85 -19.038 -22.642 -17.654 1.00 52.04 C ATOM 1314 NH1 ARG A 85 -19.064 -22.254 -18.922 1.00 4.21 N ATOM 1315 NH2 ARG A 85 -20.156 -22.632 -16.940 1.00 32.12 N ATOM 0 H ARG A 85 -11.403 -23.417 -17.558 1.00 2.43 H new ATOM 0 HA ARG A 85 -13.256 -22.195 -15.600 1.00 4.23 H new ATOM 0 HB2 ARG A 85 -14.295 -21.929 -17.745 1.00 52.21 H new ATOM 0 HB3 ARG A 85 -13.820 -23.535 -18.262 1.00 52.21 H new ATOM 0 HG2 ARG A 85 -15.428 -24.592 -16.867 1.00 62.11 H new ATOM 0 HG3 ARG A 85 -15.666 -23.153 -15.895 1.00 62.11 H new ATOM 0 HD2 ARG A 85 -16.412 -22.099 -18.235 1.00 3.32 H new ATOM 0 HD3 ARG A 85 -16.701 -23.777 -18.652 1.00 3.32 H new ATOM 0 HE ARG A 85 -17.913 -23.332 -16.124 1.00 32.10 H new ATOM 0 HH11 ARG A 85 -18.207 -22.261 -19.475 1.00 4.21 H new ATOM 0 HH12 ARG A 85 -19.941 -21.949 -19.344 1.00 4.21 H new ATOM 0 HH21 ARG A 85 -20.141 -22.930 -15.965 1.00 32.12 H new ATOM 0 HH22 ARG A 85 -21.031 -22.326 -17.366 1.00 32.12 H new ATOM 1329 N LEU A 86 -13.642 -24.377 -14.455 1.00 4.31 N ATOM 1330 CA LEU A 86 -13.694 -25.610 -13.677 1.00 53.22 C ATOM 1331 C LEU A 86 -14.217 -26.766 -14.524 1.00 12.31 C ATOM 1332 O LEU A 86 -14.975 -26.562 -15.473 1.00 11.00 O ATOM 1333 CB LEU A 86 -14.582 -25.422 -12.446 1.00 14.10 C ATOM 1334 CG LEU A 86 -13.854 -25.206 -11.119 1.00 45.33 C ATOM 1335 CD1 LEU A 86 -14.829 -25.288 -9.955 1.00 45.51 C ATOM 1336 CD2 LEU A 86 -12.735 -26.224 -10.953 1.00 70.12 C ATOM 0 H LEU A 86 -14.110 -23.583 -14.018 1.00 4.31 H new ATOM 0 HA LEU A 86 -12.681 -25.850 -13.353 1.00 53.22 H new ATOM 0 HB2 LEU A 86 -15.236 -24.568 -12.622 1.00 14.10 H new ATOM 0 HB3 LEU A 86 -15.222 -26.299 -12.348 1.00 14.10 H new ATOM 0 HG LEU A 86 -13.413 -24.209 -11.127 1.00 45.33 H new ATOM 0 HD11 LEU A 86 -14.292 -25.132 -9.019 1.00 45.51 H new ATOM 0 HD12 LEU A 86 -15.595 -24.520 -10.067 1.00 45.51 H new ATOM 0 HD13 LEU A 86 -15.300 -26.271 -9.943 1.00 45.51 H new ATOM 0 HD21 LEU A 86 -12.228 -26.055 -10.003 1.00 70.12 H new ATOM 0 HD22 LEU A 86 -13.154 -27.230 -10.967 1.00 70.12 H new ATOM 0 HD23 LEU A 86 -12.021 -26.116 -11.770 1.00 70.12 H new ATOM 1348 N THR A 87 -13.809 -27.982 -14.173 1.00 52.52 N ATOM 1349 CA THR A 87 -14.237 -29.170 -14.900 1.00 22.44 C ATOM 1350 C THR A 87 -15.006 -30.123 -13.991 1.00 45.01 C ATOM 1351 O THR A 87 -15.048 -29.938 -12.776 1.00 10.53 O ATOM 1352 CB THR A 87 -13.036 -29.918 -15.510 1.00 53.11 C ATOM 1353 OG1 THR A 87 -11.811 -29.345 -15.038 1.00 75.54 O ATOM 1354 CG2 THR A 87 -13.078 -29.859 -17.030 1.00 3.44 C ATOM 0 H THR A 87 -13.183 -28.169 -13.390 1.00 52.52 H new ATOM 0 HA THR A 87 -14.891 -28.831 -15.703 1.00 22.44 H new ATOM 0 HB THR A 87 -13.090 -30.962 -15.201 1.00 53.11 H new ATOM 0 HG1 THR A 87 -11.052 -29.827 -15.429 1.00 75.54 H new ATOM 0 HG21 THR A 87 -12.221 -30.394 -17.439 1.00 3.44 H new ATOM 0 HG22 THR A 87 -13.998 -30.322 -17.387 1.00 3.44 H new ATOM 0 HG23 THR A 87 -13.046 -28.819 -17.355 1.00 3.44 H new ATOM 1362 N ASN A 88 -15.612 -31.144 -14.589 1.00 5.31 N ATOM 1363 CA ASN A 88 -16.379 -32.126 -13.832 1.00 70.34 C ATOM 1364 C ASN A 88 -15.543 -32.714 -12.699 1.00 55.21 C ATOM 1365 O ASN A 88 -14.419 -33.165 -12.912 1.00 70.13 O ATOM 1366 CB ASN A 88 -16.865 -33.245 -14.756 1.00 30.42 C ATOM 1367 CG ASN A 88 -17.609 -34.333 -14.005 1.00 11.54 C ATOM 1368 OD1 ASN A 88 -17.048 -35.383 -13.694 1.00 23.15 O ATOM 1369 ND2 ASN A 88 -18.880 -34.084 -13.710 1.00 22.22 N ATOM 0 H ASN A 88 -15.587 -31.312 -15.595 1.00 5.31 H new ATOM 0 HA ASN A 88 -17.242 -31.621 -13.398 1.00 70.34 H new ATOM 0 HB2 ASN A 88 -17.518 -32.823 -15.520 1.00 30.42 H new ATOM 0 HB3 ASN A 88 -16.011 -33.683 -15.272 1.00 30.42 H new ATOM 0 HD21 ASN A 88 -19.432 -34.778 -13.206 1.00 22.22 H new ATOM 0 HD22 ASN A 88 -19.304 -33.199 -13.988 1.00 22.22 H new ATOM 1376 N GLY A 89 -16.103 -32.705 -11.493 1.00 5.13 N ATOM 1377 CA GLY A 89 -15.396 -33.240 -10.344 1.00 3.34 C ATOM 1378 C GLY A 89 -14.127 -32.470 -10.033 1.00 71.15 C ATOM 1379 O GLY A 89 -13.159 -33.035 -9.526 1.00 24.32 O ATOM 0 H GLY A 89 -17.033 -32.337 -11.291 1.00 5.13 H new ATOM 0 HA2 GLY A 89 -16.053 -33.218 -9.475 1.00 3.34 H new ATOM 0 HA3 GLY A 89 -15.147 -34.285 -10.529 1.00 3.34 H new ATOM 1383 N SER A 90 -14.131 -31.177 -10.341 1.00 12.01 N ATOM 1384 CA SER A 90 -12.970 -30.330 -10.097 1.00 2.41 C ATOM 1385 C SER A 90 -13.303 -29.225 -9.099 1.00 14.10 C ATOM 1386 O SER A 90 -12.592 -28.225 -9.002 1.00 64.03 O ATOM 1387 CB SER A 90 -12.475 -29.716 -11.408 1.00 54.22 C ATOM 1388 OG SER A 90 -12.127 -30.722 -12.343 1.00 71.20 O ATOM 0 H SER A 90 -14.925 -30.693 -10.760 1.00 12.01 H new ATOM 0 HA SER A 90 -12.181 -30.952 -9.674 1.00 2.41 H new ATOM 0 HB2 SER A 90 -13.251 -29.076 -11.829 1.00 54.22 H new ATOM 0 HB3 SER A 90 -11.610 -29.082 -11.213 1.00 54.22 H new ATOM 0 HG SER A 90 -11.908 -30.307 -13.203 1.00 71.20 H new ATOM 1394 N ARG A 91 -14.391 -29.413 -8.359 1.00 21.52 N ATOM 1395 CA ARG A 91 -14.821 -28.433 -7.369 1.00 23.32 C ATOM 1396 C ARG A 91 -13.980 -28.538 -6.100 1.00 11.13 C ATOM 1397 O ARG A 91 -13.196 -29.473 -5.938 1.00 30.25 O ATOM 1398 CB ARG A 91 -16.300 -28.632 -7.032 1.00 24.23 C ATOM 1399 CG ARG A 91 -16.944 -27.419 -6.380 1.00 73.55 C ATOM 1400 CD ARG A 91 -16.564 -26.134 -7.098 1.00 53.23 C ATOM 1401 NE ARG A 91 -17.422 -25.017 -6.712 1.00 12.04 N ATOM 1402 CZ ARG A 91 -17.207 -24.261 -5.641 1.00 24.23 C ATOM 1403 NH1 ARG A 91 -16.166 -24.501 -4.855 1.00 12.15 N ATOM 1404 NH2 ARG A 91 -18.032 -23.263 -5.355 1.00 13.42 N ATOM 0 H ARG A 91 -14.991 -30.235 -8.426 1.00 21.52 H new ATOM 0 HA ARG A 91 -14.683 -27.439 -7.794 1.00 23.32 H new ATOM 0 HB2 ARG A 91 -16.843 -28.874 -7.946 1.00 24.23 H new ATOM 0 HB3 ARG A 91 -16.400 -29.489 -6.365 1.00 24.23 H new ATOM 0 HG2 ARG A 91 -18.028 -27.534 -6.386 1.00 73.55 H new ATOM 0 HG3 ARG A 91 -16.636 -27.359 -5.336 1.00 73.55 H new ATOM 0 HD2 ARG A 91 -15.526 -25.888 -6.875 1.00 53.23 H new ATOM 0 HD3 ARG A 91 -16.631 -26.287 -8.175 1.00 53.23 H new ATOM 0 HE ARG A 91 -18.231 -24.806 -7.297 1.00 12.04 H new ATOM 0 HH11 ARG A 91 -15.529 -25.267 -5.072 1.00 12.15 H new ATOM 0 HH12 ARG A 91 -16.003 -23.919 -4.033 1.00 12.15 H new ATOM 0 HH21 ARG A 91 -18.833 -23.075 -5.958 1.00 13.42 H new ATOM 0 HH22 ARG A 91 -17.866 -22.684 -4.532 1.00 13.42 H new ATOM 1418 N TYR A 92 -14.149 -27.572 -5.203 1.00 61.15 N ATOM 1419 CA TYR A 92 -13.404 -27.554 -3.950 1.00 41.42 C ATOM 1420 C TYR A 92 -13.532 -28.887 -3.221 1.00 23.52 C ATOM 1421 O TYR A 92 -14.599 -29.499 -3.173 1.00 55.42 O ATOM 1422 CB TYR A 92 -13.902 -26.419 -3.053 1.00 70.31 C ATOM 1423 CG TYR A 92 -12.932 -26.044 -1.956 1.00 23.52 C ATOM 1424 CD1 TYR A 92 -12.965 -26.685 -0.723 1.00 72.54 C ATOM 1425 CD2 TYR A 92 -11.982 -25.049 -2.151 1.00 33.13 C ATOM 1426 CE1 TYR A 92 -12.081 -26.346 0.283 1.00 72.04 C ATOM 1427 CE2 TYR A 92 -11.093 -24.704 -1.151 1.00 75.11 C ATOM 1428 CZ TYR A 92 -11.147 -25.355 0.064 1.00 61.23 C ATOM 1429 OH TYR A 92 -10.264 -25.013 1.062 1.00 32.54 O ATOM 0 H TYR A 92 -14.795 -26.792 -5.321 1.00 61.15 H new ATOM 0 HA TYR A 92 -12.352 -27.389 -4.184 1.00 41.42 H new ATOM 0 HB2 TYR A 92 -14.099 -25.541 -3.668 1.00 70.31 H new ATOM 0 HB3 TYR A 92 -14.851 -26.712 -2.603 1.00 70.31 H new ATOM 0 HD1 TYR A 92 -13.695 -27.462 -0.548 1.00 72.54 H new ATOM 0 HD2 TYR A 92 -11.938 -24.536 -3.101 1.00 33.13 H new ATOM 0 HE1 TYR A 92 -12.121 -26.854 1.235 1.00 72.04 H new ATOM 0 HE2 TYR A 92 -10.360 -23.929 -1.320 1.00 75.11 H new ATOM 0 HH TYR A 92 -9.672 -24.299 0.745 1.00 32.54 H new ATOM 1439 N PRO A 93 -12.416 -29.351 -2.637 1.00 54.33 N ATOM 1440 CA PRO A 93 -11.140 -28.632 -2.688 1.00 24.32 C ATOM 1441 C PRO A 93 -10.528 -28.635 -4.084 1.00 64.44 C ATOM 1442 O PRO A 93 -9.636 -27.842 -4.383 1.00 72.03 O ATOM 1443 CB PRO A 93 -10.254 -29.414 -1.714 1.00 50.12 C ATOM 1444 CG PRO A 93 -10.834 -30.786 -1.692 1.00 15.30 C ATOM 1445 CD PRO A 93 -12.316 -30.612 -1.884 1.00 3.23 C ATOM 0 HA PRO A 93 -11.255 -27.579 -2.431 1.00 24.32 H new ATOM 0 HB2 PRO A 93 -9.216 -29.428 -2.047 1.00 50.12 H new ATOM 0 HB3 PRO A 93 -10.264 -28.964 -0.721 1.00 50.12 H new ATOM 0 HG2 PRO A 93 -10.408 -31.403 -2.483 1.00 15.30 H new ATOM 0 HG3 PRO A 93 -10.619 -31.286 -0.747 1.00 15.30 H new ATOM 0 HD2 PRO A 93 -12.750 -31.445 -2.436 1.00 3.23 H new ATOM 0 HD3 PRO A 93 -12.841 -30.553 -0.930 1.00 3.23 H new ATOM 1453 N ASN A 94 -11.013 -29.533 -4.936 1.00 42.02 N ATOM 1454 CA ASN A 94 -10.513 -29.639 -6.302 1.00 43.11 C ATOM 1455 C ASN A 94 -10.713 -28.329 -7.058 1.00 5.44 C ATOM 1456 O ASN A 94 -11.792 -27.737 -7.022 1.00 2.10 O ATOM 1457 CB ASN A 94 -11.219 -30.778 -7.039 1.00 74.41 C ATOM 1458 CG ASN A 94 -11.670 -31.882 -6.101 1.00 52.33 C ATOM 1459 OD1 ASN A 94 -10.892 -32.374 -5.285 1.00 24.14 O ATOM 1460 ND2 ASN A 94 -12.933 -32.275 -6.215 1.00 73.31 N ATOM 0 H ASN A 94 -11.751 -30.197 -4.704 1.00 42.02 H new ATOM 0 HA ASN A 94 -9.445 -29.852 -6.255 1.00 43.11 H new ATOM 0 HB2 ASN A 94 -12.084 -30.382 -7.572 1.00 74.41 H new ATOM 0 HB3 ASN A 94 -10.546 -31.194 -7.789 1.00 74.41 H new ATOM 0 HD21 ASN A 94 -13.294 -33.014 -5.611 1.00 73.31 H new ATOM 0 HD22 ASN A 94 -13.543 -31.838 -6.906 1.00 73.31 H new ATOM 1467 N CYS A 95 -9.665 -27.881 -7.742 1.00 10.23 N ATOM 1468 CA CYS A 95 -9.724 -26.641 -8.507 1.00 23.15 C ATOM 1469 C CYS A 95 -9.400 -26.893 -9.976 1.00 52.14 C ATOM 1470 O CYS A 95 -9.075 -25.967 -10.718 1.00 42.34 O ATOM 1471 CB CYS A 95 -8.749 -25.613 -7.927 1.00 74.43 C ATOM 1472 SG CYS A 95 -9.228 -24.976 -6.289 1.00 50.13 S ATOM 0 H CYS A 95 -8.765 -28.358 -7.782 1.00 10.23 H new ATOM 0 HA CYS A 95 -10.739 -26.249 -8.439 1.00 23.15 H new ATOM 0 HB2 CYS A 95 -7.761 -26.067 -7.854 1.00 74.43 H new ATOM 0 HB3 CYS A 95 -8.665 -24.776 -8.620 1.00 74.43 H new ATOM 1477 N ALA A 96 -9.492 -28.153 -10.389 1.00 54.34 N ATOM 1478 CA ALA A 96 -9.212 -28.526 -11.770 1.00 72.51 C ATOM 1479 C ALA A 96 -10.009 -27.665 -12.744 1.00 63.45 C ATOM 1480 O ALA A 96 -11.240 -27.673 -12.731 1.00 41.31 O ATOM 1481 CB ALA A 96 -9.521 -30.000 -11.991 1.00 44.10 C ATOM 0 H ALA A 96 -9.758 -28.932 -9.787 1.00 54.34 H new ATOM 0 HA ALA A 96 -8.152 -28.355 -11.959 1.00 72.51 H new ATOM 0 HB1 ALA A 96 -9.307 -30.265 -13.026 1.00 44.10 H new ATOM 0 HB2 ALA A 96 -8.904 -30.605 -11.327 1.00 44.10 H new ATOM 0 HB3 ALA A 96 -10.574 -30.187 -11.778 1.00 44.10 H new ATOM 1487 N TYR A 97 -9.299 -26.924 -13.588 1.00 31.11 N ATOM 1488 CA TYR A 97 -9.940 -26.055 -14.567 1.00 55.12 C ATOM 1489 C TYR A 97 -9.684 -26.551 -15.987 1.00 23.01 C ATOM 1490 O TYR A 97 -8.990 -27.547 -16.192 1.00 72.23 O ATOM 1491 CB TYR A 97 -9.432 -24.620 -14.417 1.00 13.03 C ATOM 1492 CG TYR A 97 -9.482 -24.106 -12.996 1.00 23.04 C ATOM 1493 CD1 TYR A 97 -10.680 -24.063 -12.293 1.00 42.21 C ATOM 1494 CD2 TYR A 97 -8.331 -23.663 -12.356 1.00 1.32 C ATOM 1495 CE1 TYR A 97 -10.730 -23.593 -10.995 1.00 20.42 C ATOM 1496 CE2 TYR A 97 -8.371 -23.193 -11.057 1.00 74.13 C ATOM 1497 CZ TYR A 97 -9.573 -23.160 -10.381 1.00 72.21 C ATOM 1498 OH TYR A 97 -9.618 -22.692 -9.088 1.00 1.20 O ATOM 0 H TYR A 97 -8.279 -26.908 -13.613 1.00 31.11 H new ATOM 0 HA TYR A 97 -11.014 -26.074 -14.383 1.00 55.12 H new ATOM 0 HB2 TYR A 97 -8.405 -24.567 -14.778 1.00 13.03 H new ATOM 0 HB3 TYR A 97 -10.027 -23.964 -15.053 1.00 13.03 H new ATOM 0 HD1 TYR A 97 -11.588 -24.403 -12.770 1.00 42.21 H new ATOM 0 HD2 TYR A 97 -7.389 -23.686 -12.883 1.00 1.32 H new ATOM 0 HE1 TYR A 97 -11.670 -23.565 -10.464 1.00 20.42 H new ATOM 0 HE2 TYR A 97 -7.467 -22.854 -10.574 1.00 74.13 H new ATOM 0 HH TYR A 97 -10.341 -23.141 -8.603 1.00 1.20 H new ATOM 1508 N ARG A 98 -10.248 -25.848 -16.963 1.00 41.14 N ATOM 1509 CA ARG A 98 -10.081 -26.216 -18.364 1.00 54.13 C ATOM 1510 C ARG A 98 -9.273 -25.159 -19.111 1.00 60.25 C ATOM 1511 O ARG A 98 -9.767 -24.067 -19.393 1.00 74.00 O ATOM 1512 CB ARG A 98 -11.446 -26.396 -19.032 1.00 41.10 C ATOM 1513 CG ARG A 98 -11.613 -27.739 -19.723 1.00 34.43 C ATOM 1514 CD ARG A 98 -11.210 -27.667 -21.187 1.00 71.12 C ATOM 1515 NE ARG A 98 -11.107 -28.992 -21.793 1.00 35.13 N ATOM 1516 CZ ARG A 98 -10.595 -29.211 -22.999 1.00 33.34 C ATOM 1517 NH1 ARG A 98 -10.141 -28.198 -23.724 1.00 31.53 N ATOM 1518 NH2 ARG A 98 -10.536 -30.446 -23.481 1.00 52.12 N ATOM 0 H ARG A 98 -10.824 -25.021 -16.810 1.00 41.14 H new ATOM 0 HA ARG A 98 -9.537 -27.160 -18.404 1.00 54.13 H new ATOM 0 HB2 ARG A 98 -12.227 -26.284 -18.280 1.00 41.10 H new ATOM 0 HB3 ARG A 98 -11.591 -25.600 -19.763 1.00 41.10 H new ATOM 0 HG2 ARG A 98 -11.007 -28.489 -19.214 1.00 34.43 H new ATOM 0 HG3 ARG A 98 -12.651 -28.062 -19.646 1.00 34.43 H new ATOM 0 HD2 ARG A 98 -11.942 -27.074 -21.735 1.00 71.12 H new ATOM 0 HD3 ARG A 98 -10.253 -27.153 -21.274 1.00 71.12 H new ATOM 0 HE ARG A 98 -11.447 -29.793 -21.261 1.00 35.13 H new ATOM 0 HH11 ARG A 98 -10.184 -27.248 -23.356 1.00 31.53 H new ATOM 0 HH12 ARG A 98 -9.748 -28.369 -24.650 1.00 31.53 H new ATOM 0 HH21 ARG A 98 -10.884 -31.227 -22.925 1.00 52.12 H new ATOM 0 HH22 ARG A 98 -10.143 -30.614 -24.407 1.00 52.12 H new ATOM 1532 N THR A 99 -8.026 -25.491 -19.430 1.00 24.41 N ATOM 1533 CA THR A 99 -7.148 -24.572 -20.142 1.00 41.44 C ATOM 1534 C THR A 99 -7.431 -24.590 -21.640 1.00 71.42 C ATOM 1535 O THR A 99 -7.060 -25.533 -22.340 1.00 10.31 O ATOM 1536 CB THR A 99 -5.665 -24.915 -19.907 1.00 42.25 C ATOM 1537 OG1 THR A 99 -5.460 -25.292 -18.541 1.00 63.25 O ATOM 1538 CG2 THR A 99 -4.774 -23.730 -20.251 1.00 33.12 C ATOM 0 H THR A 99 -7.601 -26.391 -19.206 1.00 24.41 H new ATOM 0 HA THR A 99 -7.349 -23.575 -19.749 1.00 41.44 H new ATOM 0 HB THR A 99 -5.400 -25.749 -20.557 1.00 42.25 H new ATOM 0 HG1 THR A 99 -4.718 -25.930 -18.486 1.00 63.25 H new ATOM 0 HG21 THR A 99 -3.731 -23.996 -20.077 1.00 33.12 H new ATOM 0 HG22 THR A 99 -4.911 -23.464 -21.299 1.00 33.12 H new ATOM 0 HG23 THR A 99 -5.041 -22.880 -19.623 1.00 33.12 H new ATOM 1546 N SER A 100 -8.090 -23.543 -22.126 1.00 60.54 N ATOM 1547 CA SER A 100 -8.426 -23.442 -23.542 1.00 5.52 C ATOM 1548 C SER A 100 -7.626 -22.328 -24.211 1.00 3.11 C ATOM 1549 O SER A 100 -7.948 -21.145 -24.100 1.00 43.32 O ATOM 1550 CB SER A 100 -9.924 -23.184 -23.715 1.00 44.02 C ATOM 1551 OG SER A 100 -10.226 -22.814 -25.049 1.00 74.02 O ATOM 0 H SER A 100 -8.402 -22.753 -21.561 1.00 60.54 H new ATOM 0 HA SER A 100 -8.170 -24.388 -24.020 1.00 5.52 H new ATOM 0 HB2 SER A 100 -10.484 -24.080 -23.447 1.00 44.02 H new ATOM 0 HB3 SER A 100 -10.241 -22.394 -23.034 1.00 44.02 H new ATOM 0 HG SER A 100 -11.189 -22.656 -25.135 1.00 74.02 H new ATOM 1557 N PRO A 101 -6.557 -22.714 -24.923 1.00 24.11 N ATOM 1558 CA PRO A 101 -5.688 -21.765 -25.625 1.00 1.41 C ATOM 1559 C PRO A 101 -6.378 -21.125 -26.825 1.00 34.23 C ATOM 1560 O PRO A 101 -6.882 -21.820 -27.708 1.00 4.12 O ATOM 1561 CB PRO A 101 -4.513 -22.631 -26.084 1.00 24.44 C ATOM 1562 CG PRO A 101 -5.072 -24.009 -26.178 1.00 1.04 C ATOM 1563 CD PRO A 101 -6.114 -24.108 -25.098 1.00 3.42 C ATOM 0 HA PRO A 101 -5.397 -20.931 -24.986 1.00 1.41 H new ATOM 0 HB2 PRO A 101 -4.125 -22.295 -27.046 1.00 24.44 H new ATOM 0 HB3 PRO A 101 -3.687 -22.586 -25.374 1.00 24.44 H new ATOM 0 HG2 PRO A 101 -5.510 -24.186 -27.160 1.00 1.04 H new ATOM 0 HG3 PRO A 101 -4.292 -24.757 -26.037 1.00 1.04 H new ATOM 0 HD2 PRO A 101 -6.938 -24.758 -25.393 1.00 3.42 H new ATOM 0 HD3 PRO A 101 -5.700 -24.517 -24.176 1.00 3.42 H new ATOM 1571 N LYS A 102 -6.399 -19.797 -26.851 1.00 44.12 N ATOM 1572 CA LYS A 102 -7.026 -19.062 -27.944 1.00 24.34 C ATOM 1573 C LYS A 102 -6.592 -17.600 -27.935 1.00 51.13 C ATOM 1574 O LYS A 102 -6.024 -17.118 -26.956 1.00 13.41 O ATOM 1575 CB LYS A 102 -8.550 -19.154 -27.839 1.00 24.23 C ATOM 1576 CG LYS A 102 -9.109 -18.547 -26.564 1.00 12.10 C ATOM 1577 CD LYS A 102 -10.472 -17.916 -26.798 1.00 63.31 C ATOM 1578 CE LYS A 102 -11.500 -18.425 -25.799 1.00 52.44 C ATOM 1579 NZ LYS A 102 -12.889 -18.072 -26.205 1.00 42.41 N ATOM 0 H LYS A 102 -5.989 -19.207 -26.127 1.00 44.12 H new ATOM 0 HA LYS A 102 -6.705 -19.512 -28.883 1.00 24.34 H new ATOM 0 HB2 LYS A 102 -8.996 -18.651 -28.697 1.00 24.23 H new ATOM 0 HB3 LYS A 102 -8.847 -20.201 -27.894 1.00 24.23 H new ATOM 0 HG2 LYS A 102 -9.191 -19.318 -25.798 1.00 12.10 H new ATOM 0 HG3 LYS A 102 -8.418 -17.794 -26.185 1.00 12.10 H new ATOM 0 HD2 LYS A 102 -10.391 -16.832 -26.718 1.00 63.31 H new ATOM 0 HD3 LYS A 102 -10.807 -18.137 -27.811 1.00 63.31 H new ATOM 0 HE2 LYS A 102 -11.412 -19.508 -25.707 1.00 52.44 H new ATOM 0 HE3 LYS A 102 -11.291 -18.004 -24.816 1.00 52.44 H new ATOM 0 HZ1 LYS A 102 -13.560 -18.436 -25.499 1.00 42.41 H new ATOM 0 HZ2 LYS A 102 -12.980 -17.038 -26.268 1.00 42.41 H new ATOM 0 HZ3 LYS A 102 -13.098 -18.495 -27.132 1.00 42.41 H new ATOM 1593 N GLU A 103 -6.865 -16.900 -29.032 1.00 71.10 N ATOM 1594 CA GLU A 103 -6.503 -15.492 -29.149 1.00 32.40 C ATOM 1595 C GLU A 103 -7.614 -14.700 -29.832 1.00 40.04 C ATOM 1596 O GLU A 103 -7.794 -14.784 -31.047 1.00 63.14 O ATOM 1597 CB GLU A 103 -5.198 -15.342 -29.933 1.00 1.10 C ATOM 1598 CG GLU A 103 -5.163 -16.151 -31.219 1.00 13.04 C ATOM 1599 CD GLU A 103 -3.970 -15.811 -32.090 1.00 41.21 C ATOM 1600 OE1 GLU A 103 -3.958 -14.706 -32.673 1.00 64.43 O ATOM 1601 OE2 GLU A 103 -3.049 -16.648 -32.189 1.00 61.12 O ATOM 0 H GLU A 103 -7.335 -17.284 -29.851 1.00 71.10 H new ATOM 0 HA GLU A 103 -6.362 -15.094 -28.144 1.00 32.40 H new ATOM 0 HB2 GLU A 103 -5.047 -14.289 -30.172 1.00 1.10 H new ATOM 0 HB3 GLU A 103 -4.366 -15.648 -29.299 1.00 1.10 H new ATOM 0 HG2 GLU A 103 -5.139 -17.213 -30.975 1.00 13.04 H new ATOM 0 HG3 GLU A 103 -6.080 -15.974 -31.780 1.00 13.04 H new ATOM 1608 N ARG A 104 -8.357 -13.931 -29.042 1.00 65.44 N ATOM 1609 CA ARG A 104 -9.451 -13.125 -29.570 1.00 22.31 C ATOM 1610 C ARG A 104 -9.626 -11.847 -28.756 1.00 1.25 C ATOM 1611 O ARG A 104 -8.990 -11.668 -27.716 1.00 43.04 O ATOM 1612 CB ARG A 104 -10.753 -13.928 -29.565 1.00 22.44 C ATOM 1613 CG ARG A 104 -11.462 -13.948 -30.909 1.00 2.01 C ATOM 1614 CD ARG A 104 -11.910 -15.352 -31.282 1.00 61.40 C ATOM 1615 NE ARG A 104 -11.212 -15.854 -32.463 1.00 22.14 N ATOM 1616 CZ ARG A 104 -11.660 -16.856 -33.211 1.00 51.32 C ATOM 1617 NH1 ARG A 104 -12.800 -17.459 -32.903 1.00 60.05 N ATOM 1618 NH2 ARG A 104 -10.968 -17.255 -34.270 1.00 71.44 N ATOM 0 H ARG A 104 -8.221 -13.849 -28.034 1.00 65.44 H new ATOM 0 HA ARG A 104 -9.205 -12.851 -30.596 1.00 22.31 H new ATOM 0 HB2 ARG A 104 -10.537 -14.953 -29.263 1.00 22.44 H new ATOM 0 HB3 ARG A 104 -11.425 -13.510 -28.816 1.00 22.44 H new ATOM 0 HG2 ARG A 104 -12.327 -13.286 -30.875 1.00 2.01 H new ATOM 0 HG3 ARG A 104 -10.795 -13.561 -31.679 1.00 2.01 H new ATOM 0 HD2 ARG A 104 -11.732 -16.024 -30.443 1.00 61.40 H new ATOM 0 HD3 ARG A 104 -12.984 -15.352 -31.468 1.00 61.40 H new ATOM 0 HE ARG A 104 -10.332 -15.411 -32.728 1.00 22.14 H new ATOM 0 HH11 ARG A 104 -13.335 -17.154 -32.090 1.00 60.05 H new ATOM 0 HH12 ARG A 104 -13.142 -18.228 -33.479 1.00 60.05 H new ATOM 0 HH21 ARG A 104 -10.091 -16.792 -34.510 1.00 71.44 H new ATOM 0 HH22 ARG A 104 -11.313 -18.025 -34.844 1.00 71.44 H new ATOM 1632 N HIS A 105 -10.492 -10.960 -29.235 1.00 14.11 N ATOM 1633 CA HIS A 105 -10.751 -9.698 -28.551 1.00 55.33 C ATOM 1634 C HIS A 105 -11.097 -9.935 -27.084 1.00 62.33 C ATOM 1635 O HIS A 105 -11.152 -11.077 -26.627 1.00 71.30 O ATOM 1636 CB HIS A 105 -11.890 -8.945 -29.240 1.00 13.11 C ATOM 1637 CG HIS A 105 -11.786 -8.938 -30.734 1.00 12.30 C ATOM 1638 ND1 HIS A 105 -11.413 -7.825 -31.457 1.00 44.41 N ATOM 1639 CD2 HIS A 105 -12.008 -9.917 -31.642 1.00 22.24 C ATOM 1640 CE1 HIS A 105 -11.411 -8.119 -32.745 1.00 24.21 C ATOM 1641 NE2 HIS A 105 -11.768 -9.383 -32.884 1.00 23.23 N ATOM 0 H HIS A 105 -11.026 -11.092 -30.094 1.00 14.11 H new ATOM 0 HA HIS A 105 -9.844 -9.095 -28.599 1.00 55.33 H new ATOM 0 HB2 HIS A 105 -12.839 -9.397 -28.952 1.00 13.11 H new ATOM 0 HB3 HIS A 105 -11.904 -7.916 -28.880 1.00 13.11 H new ATOM 0 HD2 HIS A 105 -12.317 -10.930 -31.429 1.00 22.24 H new ATOM 0 HE1 HIS A 105 -11.160 -7.441 -33.548 1.00 24.21 H new ATOM 0 HE2 HIS A 105 -11.852 -9.881 -33.770 1.00 23.23 H new ATOM 1649 N ILE A 106 -11.327 -8.850 -26.353 1.00 33.54 N ATOM 1650 CA ILE A 106 -11.667 -8.942 -24.938 1.00 52.31 C ATOM 1651 C ILE A 106 -12.413 -7.697 -24.471 1.00 14.24 C ATOM 1652 O ILE A 106 -12.247 -6.614 -25.033 1.00 14.24 O ATOM 1653 CB ILE A 106 -10.410 -9.130 -24.068 1.00 74.21 C ATOM 1654 CG1 ILE A 106 -9.164 -8.671 -24.828 1.00 31.51 C ATOM 1655 CG2 ILE A 106 -10.273 -10.585 -23.644 1.00 13.33 C ATOM 1656 CD1 ILE A 106 -8.097 -8.078 -23.935 1.00 43.24 C ATOM 0 H ILE A 106 -11.284 -7.898 -26.716 1.00 33.54 H new ATOM 0 HA ILE A 106 -12.311 -9.814 -24.824 1.00 52.31 H new ATOM 0 HB ILE A 106 -10.511 -8.518 -23.171 1.00 74.21 H new ATOM 0 HG12 ILE A 106 -8.744 -9.520 -25.368 1.00 31.51 H new ATOM 0 HG13 ILE A 106 -9.455 -7.931 -25.574 1.00 31.51 H new ATOM 0 HG21 ILE A 106 -9.380 -10.702 -23.030 1.00 13.33 H new ATOM 0 HG22 ILE A 106 -11.151 -10.881 -23.069 1.00 13.33 H new ATOM 0 HG23 ILE A 106 -10.190 -11.216 -24.529 1.00 13.33 H new ATOM 0 HD11 ILE A 106 -7.243 -7.774 -24.541 1.00 43.24 H new ATOM 0 HD12 ILE A 106 -8.500 -7.209 -23.414 1.00 43.24 H new ATOM 0 HD13 ILE A 106 -7.778 -8.822 -23.205 1.00 43.24 H new ATOM 1668 N ILE A 107 -13.234 -7.858 -23.438 1.00 71.52 N ATOM 1669 CA ILE A 107 -14.004 -6.747 -22.893 1.00 45.13 C ATOM 1670 C ILE A 107 -13.751 -6.584 -21.398 1.00 44.13 C ATOM 1671 O ILE A 107 -14.093 -7.457 -20.601 1.00 14.01 O ATOM 1672 CB ILE A 107 -15.513 -6.938 -23.129 1.00 54.02 C ATOM 1673 CG1 ILE A 107 -15.752 -7.820 -24.356 1.00 73.14 C ATOM 1674 CG2 ILE A 107 -16.198 -5.590 -23.298 1.00 1.21 C ATOM 1675 CD1 ILE A 107 -17.207 -7.909 -24.763 1.00 23.34 C ATOM 0 H ILE A 107 -13.383 -8.748 -22.962 1.00 71.52 H new ATOM 0 HA ILE A 107 -13.674 -5.849 -23.415 1.00 45.13 H new ATOM 0 HB ILE A 107 -15.941 -7.435 -22.258 1.00 54.02 H new ATOM 0 HG12 ILE A 107 -15.172 -7.429 -25.192 1.00 73.14 H new ATOM 0 HG13 ILE A 107 -15.379 -8.823 -24.150 1.00 73.14 H new ATOM 0 HG21 ILE A 107 -17.264 -5.742 -23.464 1.00 1.21 H new ATOM 0 HG22 ILE A 107 -16.052 -4.993 -22.398 1.00 1.21 H new ATOM 0 HG23 ILE A 107 -15.768 -5.068 -24.153 1.00 1.21 H new ATOM 0 HD11 ILE A 107 -17.301 -8.550 -25.639 1.00 23.34 H new ATOM 0 HD12 ILE A 107 -17.789 -8.328 -23.942 1.00 23.34 H new ATOM 0 HD13 ILE A 107 -17.580 -6.913 -25.001 1.00 23.34 H new ATOM 1687 N VAL A 108 -13.150 -5.459 -21.024 1.00 42.34 N ATOM 1688 CA VAL A 108 -12.853 -5.179 -19.625 1.00 14.14 C ATOM 1689 C VAL A 108 -13.405 -3.821 -19.207 1.00 12.42 C ATOM 1690 O VAL A 108 -13.687 -2.968 -20.048 1.00 65.04 O ATOM 1691 CB VAL A 108 -11.337 -5.210 -19.355 1.00 13.21 C ATOM 1692 CG1 VAL A 108 -10.889 -6.615 -18.984 1.00 72.44 C ATOM 1693 CG2 VAL A 108 -10.571 -4.699 -20.565 1.00 43.43 C ATOM 0 H VAL A 108 -12.859 -4.726 -21.671 1.00 42.34 H new ATOM 0 HA VAL A 108 -13.335 -5.960 -19.037 1.00 14.14 H new ATOM 0 HB VAL A 108 -11.122 -4.552 -18.513 1.00 13.21 H new ATOM 0 HG11 VAL A 108 -9.815 -6.617 -18.797 1.00 72.44 H new ATOM 0 HG12 VAL A 108 -11.414 -6.939 -18.086 1.00 72.44 H new ATOM 0 HG13 VAL A 108 -11.116 -7.297 -19.803 1.00 72.44 H new ATOM 0 HG21 VAL A 108 -9.501 -4.728 -20.357 1.00 43.43 H new ATOM 0 HG22 VAL A 108 -10.790 -5.329 -21.427 1.00 43.43 H new ATOM 0 HG23 VAL A 108 -10.872 -3.673 -20.779 1.00 43.43 H new ATOM 1703 N ALA A 109 -13.557 -3.626 -17.901 1.00 11.01 N ATOM 1704 CA ALA A 109 -14.073 -2.370 -17.371 1.00 2.03 C ATOM 1705 C ALA A 109 -12.982 -1.592 -16.642 1.00 61.43 C ATOM 1706 O ALA A 109 -12.636 -1.907 -15.503 1.00 15.31 O ATOM 1707 CB ALA A 109 -15.247 -2.633 -16.440 1.00 14.31 C ATOM 0 H ALA A 109 -13.330 -4.322 -17.191 1.00 11.01 H new ATOM 0 HA ALA A 109 -14.416 -1.764 -18.210 1.00 2.03 H new ATOM 0 HB1 ALA A 109 -15.622 -1.686 -16.051 1.00 14.31 H new ATOM 0 HB2 ALA A 109 -16.040 -3.140 -16.989 1.00 14.31 H new ATOM 0 HB3 ALA A 109 -14.921 -3.261 -15.611 1.00 14.31 H new ATOM 1713 N CYS A 110 -12.442 -0.576 -17.307 1.00 23.41 N ATOM 1714 CA CYS A 110 -11.389 0.246 -16.724 1.00 3.03 C ATOM 1715 C CYS A 110 -11.972 1.500 -16.080 1.00 11.43 C ATOM 1716 O CYS A 110 -13.037 1.974 -16.473 1.00 75.44 O ATOM 1717 CB CYS A 110 -10.367 0.637 -17.793 1.00 64.41 C ATOM 1718 SG CYS A 110 -11.039 0.675 -19.486 1.00 12.24 S ATOM 0 H CYS A 110 -12.717 -0.302 -18.250 1.00 23.41 H new ATOM 0 HA CYS A 110 -10.891 -0.340 -15.952 1.00 3.03 H new ATOM 0 HB2 CYS A 110 -9.963 1.620 -17.552 1.00 64.41 H new ATOM 0 HB3 CYS A 110 -9.535 -0.066 -17.760 1.00 64.41 H new ATOM 1723 N GLU A 111 -11.265 2.033 -15.088 1.00 13.13 N ATOM 1724 CA GLU A 111 -11.714 3.232 -14.389 1.00 64.02 C ATOM 1725 C GLU A 111 -10.583 3.833 -13.559 1.00 31.44 C ATOM 1726 O GLU A 111 -9.480 3.291 -13.508 1.00 62.21 O ATOM 1727 CB GLU A 111 -12.907 2.908 -13.488 1.00 22.22 C ATOM 1728 CG GLU A 111 -14.028 3.930 -13.571 1.00 71.24 C ATOM 1729 CD GLU A 111 -14.528 4.360 -12.206 1.00 51.21 C ATOM 1730 OE1 GLU A 111 -13.738 4.309 -11.241 1.00 22.42 O ATOM 1731 OE2 GLU A 111 -15.711 4.749 -12.104 1.00 4.14 O ATOM 0 H GLU A 111 -10.380 1.654 -14.751 1.00 13.13 H new ATOM 0 HA GLU A 111 -12.021 3.964 -15.136 1.00 64.02 H new ATOM 0 HB2 GLU A 111 -13.300 1.928 -13.758 1.00 22.22 H new ATOM 0 HB3 GLU A 111 -12.564 2.841 -12.456 1.00 22.22 H new ATOM 0 HG2 GLU A 111 -13.677 4.805 -14.117 1.00 71.24 H new ATOM 0 HG3 GLU A 111 -14.856 3.510 -14.141 1.00 71.24 H new ATOM 1738 N GLY A 112 -10.867 4.957 -12.908 1.00 51.24 N ATOM 1739 CA GLY A 112 -9.865 5.614 -12.090 1.00 20.14 C ATOM 1740 C GLY A 112 -8.871 6.407 -12.915 1.00 21.04 C ATOM 1741 O GLY A 112 -9.109 6.681 -14.091 1.00 22.21 O ATOM 0 H GLY A 112 -11.773 5.424 -12.933 1.00 51.24 H new ATOM 0 HA2 GLY A 112 -10.358 6.280 -11.382 1.00 20.14 H new ATOM 0 HA3 GLY A 112 -9.331 4.866 -11.504 1.00 20.14 H new ATOM 1745 N SER A 113 -7.754 6.778 -12.297 1.00 13.43 N ATOM 1746 CA SER A 113 -6.723 7.550 -12.980 1.00 62.12 C ATOM 1747 C SER A 113 -5.333 7.016 -12.646 1.00 35.54 C ATOM 1748 O SER A 113 -4.942 6.917 -11.483 1.00 4.34 O ATOM 1749 CB SER A 113 -6.820 9.027 -12.593 1.00 73.13 C ATOM 1750 OG SER A 113 -6.026 9.831 -13.448 1.00 11.43 O ATOM 0 H SER A 113 -7.540 6.556 -11.325 1.00 13.43 H new ATOM 0 HA SER A 113 -6.883 7.452 -14.054 1.00 62.12 H new ATOM 0 HB2 SER A 113 -7.859 9.352 -12.644 1.00 73.13 H new ATOM 0 HB3 SER A 113 -6.496 9.158 -11.561 1.00 73.13 H new ATOM 0 HG SER A 113 -6.106 10.771 -13.181 1.00 11.43 H new ATOM 1756 N PRO A 114 -4.569 6.661 -13.690 1.00 15.34 N ATOM 1757 CA PRO A 114 -5.025 6.773 -15.078 1.00 54.43 C ATOM 1758 C PRO A 114 -6.120 5.766 -15.412 1.00 72.21 C ATOM 1759 O PRO A 114 -6.543 4.988 -14.557 1.00 31.24 O ATOM 1760 CB PRO A 114 -3.762 6.479 -15.891 1.00 52.52 C ATOM 1761 CG PRO A 114 -2.919 5.644 -14.991 1.00 64.14 C ATOM 1762 CD PRO A 114 -3.202 6.124 -13.595 1.00 21.43 C ATOM 0 HA PRO A 114 -5.464 7.749 -15.285 1.00 54.43 H new ATOM 0 HB2 PRO A 114 -3.999 5.950 -16.814 1.00 52.52 H new ATOM 0 HB3 PRO A 114 -3.250 7.399 -16.173 1.00 52.52 H new ATOM 0 HG2 PRO A 114 -3.163 4.587 -15.097 1.00 64.14 H new ATOM 0 HG3 PRO A 114 -1.862 5.753 -15.234 1.00 64.14 H new ATOM 0 HD2 PRO A 114 -3.139 5.312 -12.870 1.00 21.43 H new ATOM 0 HD3 PRO A 114 -2.491 6.888 -13.281 1.00 21.43 H new ATOM 1770 N TYR A 115 -6.575 5.785 -16.660 1.00 64.01 N ATOM 1771 CA TYR A 115 -7.622 4.874 -17.106 1.00 60.12 C ATOM 1772 C TYR A 115 -7.057 3.481 -17.370 1.00 0.43 C ATOM 1773 O TYR A 115 -6.434 3.237 -18.403 1.00 24.33 O ATOM 1774 CB TYR A 115 -8.291 5.413 -18.372 1.00 21.12 C ATOM 1775 CG TYR A 115 -9.791 5.556 -18.250 1.00 32.12 C ATOM 1776 CD1 TYR A 115 -10.376 5.943 -17.050 1.00 74.43 C ATOM 1777 CD2 TYR A 115 -10.623 5.303 -19.333 1.00 54.42 C ATOM 1778 CE1 TYR A 115 -11.747 6.074 -16.934 1.00 23.12 C ATOM 1779 CE2 TYR A 115 -11.995 5.434 -19.226 1.00 65.43 C ATOM 1780 CZ TYR A 115 -12.551 5.819 -18.025 1.00 34.24 C ATOM 1781 OH TYR A 115 -13.917 5.948 -17.914 1.00 1.24 O ATOM 0 H TYR A 115 -6.235 6.422 -17.381 1.00 64.01 H new ATOM 0 HA TYR A 115 -8.366 4.800 -16.313 1.00 60.12 H new ATOM 0 HB2 TYR A 115 -7.860 6.384 -18.615 1.00 21.12 H new ATOM 0 HB3 TYR A 115 -8.064 4.747 -19.204 1.00 21.12 H new ATOM 0 HD1 TYR A 115 -9.749 6.145 -16.194 1.00 74.43 H new ATOM 0 HD2 TYR A 115 -10.191 4.999 -20.275 1.00 54.42 H new ATOM 0 HE1 TYR A 115 -12.186 6.374 -15.994 1.00 23.12 H new ATOM 0 HE2 TYR A 115 -12.628 5.236 -20.079 1.00 65.43 H new ATOM 0 HH TYR A 115 -14.356 5.322 -18.527 1.00 1.24 H new ATOM 1791 N VAL A 116 -7.280 2.571 -16.427 1.00 54.21 N ATOM 1792 CA VAL A 116 -6.796 1.202 -16.556 1.00 51.12 C ATOM 1793 C VAL A 116 -7.888 0.197 -16.207 1.00 55.54 C ATOM 1794 O VAL A 116 -8.813 0.487 -15.448 1.00 31.12 O ATOM 1795 CB VAL A 116 -5.575 0.951 -15.652 1.00 31.05 C ATOM 1796 CG1 VAL A 116 -4.451 1.918 -15.991 1.00 11.14 C ATOM 1797 CG2 VAL A 116 -5.966 1.067 -14.186 1.00 4.31 C ATOM 0 H VAL A 116 -7.793 2.757 -15.565 1.00 54.21 H new ATOM 0 HA VAL A 116 -6.502 1.067 -17.597 1.00 51.12 H new ATOM 0 HB VAL A 116 -5.215 -0.062 -15.830 1.00 31.05 H new ATOM 0 HG11 VAL A 116 -3.597 1.725 -15.342 1.00 11.14 H new ATOM 0 HG12 VAL A 116 -4.155 1.781 -17.031 1.00 11.14 H new ATOM 0 HG13 VAL A 116 -4.795 2.942 -15.844 1.00 11.14 H new ATOM 0 HG21 VAL A 116 -5.091 0.887 -13.561 1.00 4.31 H new ATOM 0 HG22 VAL A 116 -6.352 2.067 -13.990 1.00 4.31 H new ATOM 0 HG23 VAL A 116 -6.735 0.330 -13.955 1.00 4.31 H new ATOM 1807 N PRO A 117 -7.782 -1.013 -16.774 1.00 64.53 N ATOM 1808 CA PRO A 117 -8.751 -2.087 -16.537 1.00 53.13 C ATOM 1809 C PRO A 117 -8.672 -2.637 -15.117 1.00 40.42 C ATOM 1810 O PRO A 117 -7.665 -3.225 -14.724 1.00 4.12 O ATOM 1811 CB PRO A 117 -8.346 -3.161 -17.550 1.00 11.11 C ATOM 1812 CG PRO A 117 -6.899 -2.915 -17.804 1.00 51.15 C ATOM 1813 CD PRO A 117 -6.705 -1.428 -17.690 1.00 34.10 C ATOM 0 HA PRO A 117 -9.778 -1.741 -16.650 1.00 53.13 H new ATOM 0 HB2 PRO A 117 -8.514 -4.162 -17.154 1.00 11.11 H new ATOM 0 HB3 PRO A 117 -8.929 -3.080 -18.468 1.00 11.11 H new ATOM 0 HG2 PRO A 117 -6.280 -3.446 -17.081 1.00 51.15 H new ATOM 0 HG3 PRO A 117 -6.610 -3.271 -18.793 1.00 51.15 H new ATOM 0 HD2 PRO A 117 -5.721 -1.180 -17.292 1.00 34.10 H new ATOM 0 HD3 PRO A 117 -6.790 -0.936 -18.659 1.00 34.10 H new ATOM 1821 N VAL A 118 -9.741 -2.442 -14.351 1.00 41.44 N ATOM 1822 CA VAL A 118 -9.793 -2.920 -12.975 1.00 3.41 C ATOM 1823 C VAL A 118 -10.791 -4.062 -12.827 1.00 54.10 C ATOM 1824 O VAL A 118 -11.181 -4.420 -11.715 1.00 74.02 O ATOM 1825 CB VAL A 118 -10.175 -1.788 -12.002 1.00 74.51 C ATOM 1826 CG1 VAL A 118 -9.118 -0.695 -12.012 1.00 20.14 C ATOM 1827 CG2 VAL A 118 -11.543 -1.222 -12.355 1.00 64.52 C ATOM 0 H VAL A 118 -10.583 -1.956 -14.661 1.00 41.44 H new ATOM 0 HA VAL A 118 -8.795 -3.281 -12.727 1.00 3.41 H new ATOM 0 HB VAL A 118 -10.226 -2.200 -10.994 1.00 74.51 H new ATOM 0 HG11 VAL A 118 -9.405 0.096 -11.319 1.00 20.14 H new ATOM 0 HG12 VAL A 118 -8.159 -1.114 -11.707 1.00 20.14 H new ATOM 0 HG13 VAL A 118 -9.031 -0.282 -13.017 1.00 20.14 H new ATOM 0 HG21 VAL A 118 -11.797 -0.424 -11.658 1.00 64.52 H new ATOM 0 HG22 VAL A 118 -11.522 -0.825 -13.370 1.00 64.52 H new ATOM 0 HG23 VAL A 118 -12.291 -2.012 -12.291 1.00 64.52 H new ATOM 1837 N HIS A 119 -11.202 -4.632 -13.956 1.00 0.43 N ATOM 1838 CA HIS A 119 -12.155 -5.735 -13.952 1.00 74.41 C ATOM 1839 C HIS A 119 -12.234 -6.390 -15.328 1.00 62.10 C ATOM 1840 O HIS A 119 -11.994 -5.745 -16.349 1.00 4.45 O ATOM 1841 CB HIS A 119 -13.539 -5.240 -13.530 1.00 72.54 C ATOM 1842 CG HIS A 119 -14.663 -5.913 -14.257 1.00 30.33 C ATOM 1843 ND1 HIS A 119 -15.721 -6.519 -13.611 1.00 44.24 N ATOM 1844 CD2 HIS A 119 -14.891 -6.073 -15.581 1.00 55.43 C ATOM 1845 CE1 HIS A 119 -16.550 -7.023 -14.508 1.00 0.14 C ATOM 1846 NE2 HIS A 119 -16.070 -6.765 -15.711 1.00 30.31 N ATOM 0 H HIS A 119 -10.890 -4.348 -14.884 1.00 0.43 H new ATOM 0 HA HIS A 119 -11.809 -6.479 -13.234 1.00 74.41 H new ATOM 0 HB2 HIS A 119 -13.662 -5.400 -12.459 1.00 72.54 H new ATOM 0 HB3 HIS A 119 -13.599 -4.165 -13.700 1.00 72.54 H new ATOM 0 HD2 HIS A 119 -14.263 -5.722 -16.386 1.00 55.43 H new ATOM 0 HE1 HIS A 119 -17.465 -7.556 -14.294 1.00 0.14 H new ATOM 0 HE2 HIS A 119 -16.504 -7.036 -16.593 1.00 30.31 H new ATOM 1854 N PHE A 120 -12.571 -7.675 -15.348 1.00 25.50 N ATOM 1855 CA PHE A 120 -12.679 -8.418 -16.598 1.00 63.13 C ATOM 1856 C PHE A 120 -14.113 -8.884 -16.832 1.00 22.43 C ATOM 1857 O PHE A 120 -14.768 -9.391 -15.921 1.00 30.30 O ATOM 1858 CB PHE A 120 -11.735 -9.622 -16.584 1.00 62.32 C ATOM 1859 CG PHE A 120 -11.129 -9.925 -17.925 1.00 4.52 C ATOM 1860 CD1 PHE A 120 -11.897 -10.471 -18.940 1.00 31.20 C ATOM 1861 CD2 PHE A 120 -9.791 -9.661 -18.170 1.00 64.50 C ATOM 1862 CE1 PHE A 120 -11.341 -10.751 -20.174 1.00 54.11 C ATOM 1863 CE2 PHE A 120 -9.229 -9.939 -19.402 1.00 55.35 C ATOM 1864 CZ PHE A 120 -10.006 -10.483 -20.406 1.00 74.21 C ATOM 0 H PHE A 120 -12.774 -8.224 -14.513 1.00 25.50 H new ATOM 0 HA PHE A 120 -12.395 -7.752 -17.413 1.00 63.13 H new ATOM 0 HB2 PHE A 120 -10.936 -9.438 -15.866 1.00 62.32 H new ATOM 0 HB3 PHE A 120 -12.282 -10.498 -16.235 1.00 62.32 H new ATOM 0 HD1 PHE A 120 -12.942 -10.680 -18.765 1.00 31.20 H new ATOM 0 HD2 PHE A 120 -9.180 -9.233 -17.389 1.00 64.50 H new ATOM 0 HE1 PHE A 120 -11.950 -11.179 -20.956 1.00 54.11 H new ATOM 0 HE2 PHE A 120 -8.184 -9.731 -19.579 1.00 55.35 H new ATOM 0 HZ PHE A 120 -9.571 -10.698 -21.371 1.00 74.21 H new ATOM 1874 N ASP A 121 -14.593 -8.708 -18.057 1.00 74.55 N ATOM 1875 CA ASP A 121 -15.949 -9.111 -18.412 1.00 74.21 C ATOM 1876 C ASP A 121 -15.950 -10.473 -19.099 1.00 64.30 C ATOM 1877 O ASP A 121 -16.362 -11.474 -18.514 1.00 74.32 O ATOM 1878 CB ASP A 121 -16.593 -8.066 -19.325 1.00 4.12 C ATOM 1879 CG ASP A 121 -18.094 -7.978 -19.136 1.00 12.10 C ATOM 1880 OD1 ASP A 121 -18.554 -8.073 -17.978 1.00 43.14 O ATOM 1881 OD2 ASP A 121 -18.810 -7.813 -20.146 1.00 30.23 O ATOM 0 H ASP A 121 -14.064 -8.289 -18.822 1.00 74.55 H new ATOM 0 HA ASP A 121 -16.530 -9.187 -17.493 1.00 74.21 H new ATOM 0 HB2 ASP A 121 -16.147 -7.091 -19.127 1.00 4.12 H new ATOM 0 HB3 ASP A 121 -16.374 -8.312 -20.364 1.00 4.12 H new ATOM 1886 N ALA A 122 -15.485 -10.503 -20.344 1.00 0.32 N ATOM 1887 CA ALA A 122 -15.431 -11.742 -21.110 1.00 3.50 C ATOM 1888 C ALA A 122 -14.674 -11.545 -22.419 1.00 52.42 C ATOM 1889 O ALA A 122 -14.580 -10.429 -22.931 1.00 74.23 O ATOM 1890 CB ALA A 122 -16.837 -12.255 -21.383 1.00 23.43 C ATOM 0 H ALA A 122 -15.140 -9.683 -20.843 1.00 0.32 H new ATOM 0 HA ALA A 122 -14.894 -12.483 -20.518 1.00 3.50 H new ATOM 0 HB1 ALA A 122 -16.782 -13.181 -21.956 1.00 23.43 H new ATOM 0 HB2 ALA A 122 -17.346 -12.443 -20.437 1.00 23.43 H new ATOM 0 HB3 ALA A 122 -17.392 -11.509 -21.952 1.00 23.43 H new ATOM 1896 N SER A 123 -14.135 -12.635 -22.956 1.00 14.12 N ATOM 1897 CA SER A 123 -13.383 -12.581 -24.204 1.00 1.14 C ATOM 1898 C SER A 123 -14.307 -12.761 -25.404 1.00 14.22 C ATOM 1899 O SER A 123 -14.878 -13.832 -25.607 1.00 73.43 O ATOM 1900 CB SER A 123 -12.297 -13.658 -24.216 1.00 21.41 C ATOM 1901 OG SER A 123 -12.790 -14.885 -23.706 1.00 60.21 O ATOM 0 H SER A 123 -14.205 -13.566 -22.546 1.00 14.12 H new ATOM 0 HA SER A 123 -12.913 -11.600 -24.274 1.00 1.14 H new ATOM 0 HB2 SER A 123 -11.935 -13.803 -25.234 1.00 21.41 H new ATOM 0 HB3 SER A 123 -11.447 -13.328 -23.619 1.00 21.41 H new ATOM 0 HG SER A 123 -13.677 -15.063 -24.083 1.00 60.21 H new ATOM 1907 N VAL A 124 -14.450 -11.703 -26.197 1.00 33.44 N ATOM 1908 CA VAL A 124 -15.304 -11.743 -27.378 1.00 31.22 C ATOM 1909 C VAL A 124 -14.823 -12.798 -28.368 1.00 51.32 C ATOM 1910 O VAL A 124 -13.836 -13.489 -28.122 1.00 24.30 O ATOM 1911 CB VAL A 124 -15.350 -10.375 -28.084 1.00 11.05 C ATOM 1912 CG1 VAL A 124 -16.683 -10.183 -28.790 1.00 14.22 C ATOM 1913 CG2 VAL A 124 -15.099 -9.253 -27.087 1.00 64.31 C ATOM 0 H VAL A 124 -13.985 -10.808 -26.043 1.00 33.44 H new ATOM 0 HA VAL A 124 -16.306 -12.000 -27.036 1.00 31.22 H new ATOM 0 HB VAL A 124 -14.561 -10.346 -28.835 1.00 11.05 H new ATOM 0 HG11 VAL A 124 -16.697 -9.211 -29.283 1.00 14.22 H new ATOM 0 HG12 VAL A 124 -16.818 -10.969 -29.533 1.00 14.22 H new ATOM 0 HG13 VAL A 124 -17.491 -10.231 -28.060 1.00 14.22 H new ATOM 0 HG21 VAL A 124 -15.135 -8.293 -27.603 1.00 64.31 H new ATOM 0 HG22 VAL A 124 -15.865 -9.277 -26.312 1.00 64.31 H new ATOM 0 HG23 VAL A 124 -14.117 -9.384 -26.632 1.00 64.31 H new ATOM 1923 N GLU A 125 -15.528 -12.914 -29.489 1.00 72.31 N ATOM 1924 CA GLU A 125 -15.172 -13.885 -30.517 1.00 35.50 C ATOM 1925 C GLU A 125 -15.474 -13.339 -31.910 1.00 34.25 C ATOM 1926 O GLU A 125 -16.542 -12.774 -32.148 1.00 44.41 O ATOM 1927 CB GLU A 125 -15.931 -15.196 -30.296 1.00 24.11 C ATOM 1928 CG GLU A 125 -17.157 -15.048 -29.412 1.00 14.13 C ATOM 1929 CD GLU A 125 -18.268 -16.009 -29.789 1.00 51.43 C ATOM 1930 OE1 GLU A 125 -18.460 -16.247 -31.000 1.00 44.43 O ATOM 1931 OE2 GLU A 125 -18.946 -16.522 -28.875 1.00 24.12 O ATOM 0 H GLU A 125 -16.348 -12.348 -29.708 1.00 72.31 H new ATOM 0 HA GLU A 125 -14.101 -14.076 -30.445 1.00 35.50 H new ATOM 0 HB2 GLU A 125 -16.237 -15.596 -31.263 1.00 24.11 H new ATOM 0 HB3 GLU A 125 -15.256 -15.925 -29.848 1.00 24.11 H new ATOM 0 HG2 GLU A 125 -16.873 -15.216 -28.373 1.00 14.13 H new ATOM 0 HG3 GLU A 125 -17.528 -14.025 -29.480 1.00 14.13 H new