USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 890 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 48 HIS : no HD1:sc= 0.524 K(o=0.5,f=-3.7!) USER MOD Set 1.2: A 82 THR OG1 : rot -170:sc= 0 USER MOD Set 1.3: A 101 GLN : amide:sc= -0.0228 K(o=0.5,f=1.3) USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0.0026 USER MOD Set 2.2: A 23 SER OG : rot 114:sc= 0.283 USER MOD Set 3.1: A 13 MET CE :methyl 164:sc= -0.0113 (180deg=-0.232) USER MOD Set 3.2: A 15 SER OG : rot 180:sc= 0.152 USER MOD Set 4.1: A 12 HIS : no HD1:sc= -0.556 K(o=0.56,f=-2.8) USER MOD Set 4.2: A 45 THR OG1 : rot -51:sc= 1.12 USER MOD Single : A 3 SER OG : rot -29:sc= 0.593 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.58) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.538 K(o=0.54,f=-1.4) USER MOD Single : A 29 MET CE :methyl 168:sc=-0.00056 (180deg=-0.168) USER MOD Single : A 30 MET CE :methyl -164:sc= -1.15 (180deg=-1.4) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc=-0.00242 (180deg=-0.11) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 165:sc= 0.263 USER MOD Single : A 37 GLN : amide:sc= -0.584 X(o=-0.58,f=-1) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0737 (180deg=-0.67) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0453) USER MOD Single : A 44 ASN : amide:sc= 1.02 K(o=1,f=-0.89) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00275 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc=-0.000779 (180deg=-0.0964) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.02 K(o=-3,f=-7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -0.0475 (180deg=-0.172) USER MOD Single : A 64 THR OG1 : rot 160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 71 ASN : amide:sc=-0.00739 K(o=-0.0074,f=-0.82) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 SER OG : rot 98:sc= 1.8 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0268) USER MOD Single : A 77 SER OG : rot 23:sc= 0.981 USER MOD Single : A 78 THR OG1 : rot -91:sc= 0.0388 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -170:sc= 0.0581 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -148:sc= 1.24 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.085) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 97 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0559) USER MOD Single : A 99 THR OG1 : rot 179:sc= 0.47 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0797 USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0757) USER MOD Single : A 105 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.4) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 119 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.16) USER MOD Single : A 123 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 3 -10.237 -10.494 7.979 1.00 0.00 N ATOM 41 CA SER A 3 -9.237 -9.927 8.839 1.00 0.00 C ATOM 42 C SER A 3 -7.919 -9.911 8.073 1.00 0.00 C ATOM 43 O SER A 3 -7.790 -10.576 7.046 1.00 0.00 O ATOM 44 CB SER A 3 -9.170 -10.858 10.049 1.00 0.00 C ATOM 45 OG SER A 3 -9.206 -12.207 9.609 1.00 0.00 O ATOM 0 HA SER A 3 -9.454 -8.907 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.257 -10.673 10.614 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.006 -10.661 10.720 1.00 0.00 H new ATOM 0 HG SER A 3 -9.704 -12.263 8.767 1.00 0.00 H new ATOM 51 N ALA A 4 -6.940 -9.162 8.583 1.00 0.00 N ATOM 52 CA ALA A 4 -5.558 -9.157 8.135 1.00 0.00 C ATOM 53 C ALA A 4 -5.422 -8.537 6.749 1.00 0.00 C ATOM 54 O ALA A 4 -4.966 -7.410 6.591 1.00 0.00 O ATOM 55 CB ALA A 4 -4.980 -10.581 8.168 1.00 0.00 C ATOM 0 H ALA A 4 -7.103 -8.515 9.355 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.982 -8.537 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.944 -10.561 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.022 -10.967 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.564 -11.226 7.511 1.00 0.00 H new ATOM 61 N ALA A 5 -5.829 -9.302 5.748 1.00 0.00 N ATOM 62 CA ALA A 5 -5.561 -9.050 4.349 1.00 0.00 C ATOM 63 C ALA A 5 -6.566 -8.089 3.751 1.00 0.00 C ATOM 64 O ALA A 5 -6.174 -7.097 3.151 1.00 0.00 O ATOM 65 CB ALA A 5 -5.578 -10.370 3.597 1.00 0.00 C ATOM 0 H ALA A 5 -6.377 -10.149 5.899 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.579 -8.584 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.377 -10.190 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.813 -11.031 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.557 -10.838 3.705 1.00 0.00 H new ATOM 71 N ALA A 6 -7.863 -8.342 3.926 1.00 0.00 N ATOM 72 CA ALA A 6 -8.849 -7.349 3.521 1.00 0.00 C ATOM 73 C ALA A 6 -8.593 -6.055 4.291 1.00 0.00 C ATOM 74 O ALA A 6 -8.718 -4.962 3.739 1.00 0.00 O ATOM 75 CB ALA A 6 -10.271 -7.859 3.744 1.00 0.00 C ATOM 0 H ALA A 6 -8.244 -9.197 4.332 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.749 -7.155 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.984 -7.096 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.429 -8.764 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.416 -8.081 4.801 1.00 0.00 H new ATOM 81 N LYS A 7 -8.191 -6.182 5.561 1.00 0.00 N ATOM 82 CA LYS A 7 -7.910 -5.018 6.378 1.00 0.00 C ATOM 83 C LYS A 7 -6.735 -4.224 5.797 1.00 0.00 C ATOM 84 O LYS A 7 -6.828 -3.015 5.602 1.00 0.00 O ATOM 85 CB LYS A 7 -7.677 -5.443 7.835 1.00 0.00 C ATOM 86 CG LYS A 7 -8.156 -4.293 8.716 1.00 0.00 C ATOM 87 CD LYS A 7 -7.740 -4.419 10.186 1.00 0.00 C ATOM 88 CE LYS A 7 -8.461 -5.571 10.892 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.138 -5.595 12.329 1.00 0.00 N ATOM 0 H LYS A 7 -8.057 -7.076 6.033 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.771 -4.350 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.225 -6.357 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.622 -5.651 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.766 -3.357 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.243 -4.235 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.663 -4.575 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.956 -3.485 10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.538 -5.466 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.174 -6.518 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.639 -6.385 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.113 -5.718 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.434 -4.699 12.766 1.00 0.00 H new ATOM 103 N PHE A 8 -5.638 -4.924 5.502 1.00 0.00 N ATOM 104 CA PHE A 8 -4.483 -4.382 4.808 1.00 0.00 C ATOM 105 C PHE A 8 -4.925 -3.680 3.519 1.00 0.00 C ATOM 106 O PHE A 8 -4.694 -2.485 3.337 1.00 0.00 O ATOM 107 CB PHE A 8 -3.510 -5.536 4.525 1.00 0.00 C ATOM 108 CG PHE A 8 -2.268 -5.146 3.761 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.338 -4.268 4.345 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.017 -5.699 2.491 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.166 -3.929 3.654 1.00 0.00 C ATOM 112 CE2 PHE A 8 -0.837 -5.370 1.806 1.00 0.00 C ATOM 113 CZ PHE A 8 0.079 -4.480 2.386 1.00 0.00 C ATOM 0 H PHE A 8 -5.532 -5.908 5.748 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.979 -3.635 5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.211 -5.981 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.037 -6.307 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.526 -3.855 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.731 -6.375 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.545 -3.247 4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.635 -5.800 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.980 -4.216 1.853 1.00 0.00 H new ATOM 123 N GLU A 9 -5.589 -4.433 2.640 1.00 0.00 N ATOM 124 CA GLU A 9 -6.076 -4.001 1.340 1.00 0.00 C ATOM 125 C GLU A 9 -6.811 -2.668 1.470 1.00 0.00 C ATOM 126 O GLU A 9 -6.444 -1.708 0.801 1.00 0.00 O ATOM 127 CB GLU A 9 -6.938 -5.125 0.734 1.00 0.00 C ATOM 128 CG GLU A 9 -7.228 -4.978 -0.768 1.00 0.00 C ATOM 129 CD GLU A 9 -8.493 -4.196 -1.119 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.080 -3.574 -0.209 1.00 0.00 O ATOM 131 OE2 GLU A 9 -8.873 -4.278 -2.307 1.00 0.00 O ATOM 0 H GLU A 9 -5.810 -5.410 2.831 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.249 -3.820 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.436 -6.078 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.886 -5.165 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.376 -4.487 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.304 -5.974 -1.205 1.00 0.00 H new ATOM 138 N ARG A 10 -7.789 -2.581 2.374 1.00 0.00 N ATOM 139 CA ARG A 10 -8.557 -1.365 2.596 1.00 0.00 C ATOM 140 C ARG A 10 -7.696 -0.111 2.792 1.00 0.00 C ATOM 141 O ARG A 10 -8.163 0.986 2.496 1.00 0.00 O ATOM 142 CB ARG A 10 -9.457 -1.556 3.820 1.00 0.00 C ATOM 143 CG ARG A 10 -10.756 -2.298 3.480 1.00 0.00 C ATOM 144 CD ARG A 10 -11.671 -2.343 4.708 1.00 0.00 C ATOM 145 NE ARG A 10 -12.124 -0.993 5.074 1.00 0.00 N ATOM 146 CZ ARG A 10 -12.784 -0.673 6.195 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.078 -1.613 7.100 1.00 0.00 N ATOM 148 NH2 ARG A 10 -13.150 0.596 6.403 1.00 0.00 N ATOM 0 H ARG A 10 -8.068 -3.358 2.973 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.142 -1.198 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.914 -2.112 4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.699 -0.582 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.265 -1.798 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.529 -3.311 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.533 -2.977 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.139 -2.792 5.547 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.919 -0.237 4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.799 -2.581 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.581 -1.362 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.926 1.311 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.653 0.849 7.254 1.00 0.00 H new ATOM 162 N GLN A 11 -6.488 -0.248 3.349 1.00 0.00 N ATOM 163 CA GLN A 11 -5.621 0.883 3.658 1.00 0.00 C ATOM 164 C GLN A 11 -4.451 1.006 2.676 1.00 0.00 C ATOM 165 O GLN A 11 -3.912 2.098 2.508 1.00 0.00 O ATOM 166 CB GLN A 11 -5.133 0.757 5.106 1.00 0.00 C ATOM 167 CG GLN A 11 -6.317 0.720 6.082 1.00 0.00 C ATOM 168 CD GLN A 11 -5.854 0.863 7.528 1.00 0.00 C ATOM 169 OE1 GLN A 11 -5.235 -0.039 8.081 1.00 0.00 O ATOM 170 NE2 GLN A 11 -6.145 1.997 8.161 1.00 0.00 N ATOM 0 H GLN A 11 -6.087 -1.152 3.597 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.197 1.802 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.538 -0.149 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.482 1.597 5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.014 1.523 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.859 -0.219 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.661 2.732 7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.852 2.131 9.129 1.00 0.00 H new ATOM 179 N HIS A 12 -4.027 -0.107 2.069 1.00 0.00 N ATOM 180 CA HIS A 12 -2.836 -0.172 1.226 1.00 0.00 C ATOM 181 C HIS A 12 -3.180 -0.076 -0.267 1.00 0.00 C ATOM 182 O HIS A 12 -2.363 0.367 -1.075 1.00 0.00 O ATOM 183 CB HIS A 12 -2.074 -1.465 1.542 1.00 0.00 C ATOM 184 CG HIS A 12 -0.592 -1.335 1.313 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.283 -0.665 2.147 1.00 0.00 N ATOM 186 CD2 HIS A 12 0.116 -1.834 0.256 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.513 -0.780 1.619 1.00 0.00 C ATOM 188 NE2 HIS A 12 1.433 -1.470 0.464 1.00 0.00 N ATOM 0 H HIS A 12 -4.512 -1.001 2.153 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.203 0.687 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.254 -1.744 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.464 -2.273 0.923 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.276 -2.400 -0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.420 -0.383 2.051 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.215 -1.687 -0.154 1.00 0.00 H new ATOM 197 N MET A 13 -4.378 -0.526 -0.644 1.00 0.00 N ATOM 198 CA MET A 13 -4.919 -0.447 -1.991 1.00 0.00 C ATOM 199 C MET A 13 -5.930 0.685 -2.038 1.00 0.00 C ATOM 200 O MET A 13 -6.719 0.868 -1.113 1.00 0.00 O ATOM 201 CB MET A 13 -5.502 -1.811 -2.392 1.00 0.00 C ATOM 202 CG MET A 13 -6.519 -1.786 -3.540 1.00 0.00 C ATOM 203 SD MET A 13 -8.190 -1.237 -3.093 1.00 0.00 S ATOM 204 CE MET A 13 -9.122 -1.897 -4.484 1.00 0.00 C ATOM 0 H MET A 13 -5.019 -0.973 0.012 1.00 0.00 H new ATOM 0 HA MET A 13 -4.143 -0.221 -2.722 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.680 -2.469 -2.673 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.979 -2.253 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.139 -1.132 -4.325 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.586 -2.788 -3.964 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.184 -1.904 -4.240 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.956 -1.273 -5.362 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.791 -2.914 -4.694 1.00 0.00 H new ATOM 214 N ASP A 14 -5.897 1.441 -3.135 1.00 0.00 N ATOM 215 CA ASP A 14 -6.813 2.526 -3.402 1.00 0.00 C ATOM 216 C ASP A 14 -6.908 2.647 -4.916 1.00 0.00 C ATOM 217 O ASP A 14 -6.016 3.222 -5.540 1.00 0.00 O ATOM 218 CB ASP A 14 -6.307 3.835 -2.781 1.00 0.00 C ATOM 219 CG ASP A 14 -6.380 3.835 -1.256 1.00 0.00 C ATOM 220 OD1 ASP A 14 -7.429 4.278 -0.741 1.00 0.00 O ATOM 221 OD2 ASP A 14 -5.369 3.436 -0.640 1.00 0.00 O ATOM 0 H ASP A 14 -5.210 1.304 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.791 2.329 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.276 4.003 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.896 4.667 -3.168 1.00 0.00 H new ATOM 226 N SER A 15 -7.965 2.090 -5.510 1.00 0.00 N ATOM 227 CA SER A 15 -8.215 2.065 -6.943 1.00 0.00 C ATOM 228 C SER A 15 -8.596 3.453 -7.475 1.00 0.00 C ATOM 229 O SER A 15 -9.663 3.645 -8.055 1.00 0.00 O ATOM 230 CB SER A 15 -9.293 1.000 -7.201 1.00 0.00 C ATOM 231 OG SER A 15 -10.161 0.910 -6.078 1.00 0.00 O ATOM 0 H SER A 15 -8.700 1.625 -4.977 1.00 0.00 H new ATOM 0 HA SER A 15 -7.311 1.799 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.864 1.256 -8.094 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.825 0.034 -7.388 1.00 0.00 H new ATOM 0 HG SER A 15 -10.847 0.231 -6.248 1.00 0.00 H new ATOM 237 N GLY A 16 -7.700 4.426 -7.310 1.00 0.00 N ATOM 238 CA GLY A 16 -7.794 5.704 -7.965 1.00 0.00 C ATOM 239 C GLY A 16 -7.433 5.496 -9.430 1.00 0.00 C ATOM 240 O GLY A 16 -6.681 4.588 -9.779 1.00 0.00 O ATOM 0 H GLY A 16 -6.882 4.334 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.802 6.109 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.118 6.423 -7.502 1.00 0.00 H new ATOM 244 N ASN A 17 -7.990 6.350 -10.280 1.00 0.00 N ATOM 245 CA ASN A 17 -7.718 6.365 -11.716 1.00 0.00 C ATOM 246 C ASN A 17 -6.668 7.417 -12.087 1.00 0.00 C ATOM 247 O ASN A 17 -6.191 7.466 -13.217 1.00 0.00 O ATOM 248 CB ASN A 17 -9.034 6.605 -12.463 1.00 0.00 C ATOM 249 CG ASN A 17 -8.903 6.383 -13.970 1.00 0.00 C ATOM 250 OD1 ASN A 17 -8.225 5.465 -14.417 1.00 0.00 O ATOM 251 ND2 ASN A 17 -9.584 7.201 -14.769 1.00 0.00 N ATOM 0 H ASN A 17 -8.656 7.065 -9.987 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.302 5.401 -12.008 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.800 5.938 -12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.372 7.625 -12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.549 7.072 -15.780 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.140 7.957 -14.370 1.00 0.00 H new ATOM 258 N SER A 18 -6.308 8.260 -11.123 1.00 0.00 N ATOM 259 CA SER A 18 -5.413 9.391 -11.312 1.00 0.00 C ATOM 260 C SER A 18 -3.951 8.948 -11.186 1.00 0.00 C ATOM 261 O SER A 18 -3.634 8.218 -10.245 1.00 0.00 O ATOM 262 CB SER A 18 -5.729 10.447 -10.249 1.00 0.00 C ATOM 263 OG SER A 18 -7.125 10.689 -10.222 1.00 0.00 O ATOM 0 H SER A 18 -6.642 8.170 -10.163 1.00 0.00 H new ATOM 0 HA SER A 18 -5.558 9.806 -12.309 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.389 10.106 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.193 11.371 -10.468 1.00 0.00 H new ATOM 0 HG SER A 18 -7.327 11.364 -9.540 1.00 0.00 H new ATOM 305 N SER A 22 -1.604 13.073 -5.639 1.00 0.00 N ATOM 306 CA SER A 22 -1.034 14.383 -5.324 1.00 0.00 C ATOM 307 C SER A 22 -0.857 14.615 -3.813 1.00 0.00 C ATOM 308 O SER A 22 -1.440 13.926 -2.974 1.00 0.00 O ATOM 309 CB SER A 22 -1.780 15.535 -6.009 1.00 0.00 C ATOM 310 OG SER A 22 -0.973 16.698 -5.960 1.00 0.00 O ATOM 0 HA SER A 22 -0.029 14.375 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.005 15.276 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.733 15.716 -5.511 1.00 0.00 H new ATOM 0 HG SER A 22 -1.441 17.440 -6.397 1.00 0.00 H new ATOM 316 N SER A 23 0.018 15.565 -3.469 1.00 0.00 N ATOM 317 CA SER A 23 0.520 15.819 -2.123 1.00 0.00 C ATOM 318 C SER A 23 -0.621 16.165 -1.172 1.00 0.00 C ATOM 319 O SER A 23 -0.997 15.391 -0.288 1.00 0.00 O ATOM 320 CB SER A 23 1.546 16.954 -2.203 1.00 0.00 C ATOM 321 OG SER A 23 1.005 18.022 -2.965 1.00 0.00 O ATOM 0 H SER A 23 0.412 16.206 -4.158 1.00 0.00 H new ATOM 0 HA SER A 23 0.997 14.923 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.802 17.300 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.467 16.595 -2.661 1.00 0.00 H new ATOM 0 HG SER A 23 0.875 18.803 -2.387 1.00 0.00 H new ATOM 327 N ASN A 24 -1.179 17.357 -1.383 1.00 0.00 N ATOM 328 CA ASN A 24 -2.254 17.906 -0.574 1.00 0.00 C ATOM 329 C ASN A 24 -3.421 16.934 -0.465 1.00 0.00 C ATOM 330 O ASN A 24 -4.033 16.819 0.590 1.00 0.00 O ATOM 331 CB ASN A 24 -2.719 19.246 -1.149 1.00 0.00 C ATOM 332 CG ASN A 24 -3.889 19.801 -0.342 1.00 0.00 C ATOM 333 OD1 ASN A 24 -3.692 20.376 0.722 1.00 0.00 O ATOM 334 ND2 ASN A 24 -5.115 19.629 -0.830 1.00 0.00 N ATOM 0 H ASN A 24 -0.886 17.977 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.868 18.070 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.894 19.958 -1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.017 19.117 -2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.923 19.980 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.247 19.146 -1.719 1.00 0.00 H new ATOM 341 N TYR A 25 -3.717 16.218 -1.547 1.00 0.00 N ATOM 342 CA TYR A 25 -4.765 15.212 -1.555 1.00 0.00 C ATOM 343 C TYR A 25 -4.484 14.112 -0.528 1.00 0.00 C ATOM 344 O TYR A 25 -5.400 13.646 0.145 1.00 0.00 O ATOM 345 CB TYR A 25 -4.895 14.626 -2.963 1.00 0.00 C ATOM 346 CG TYR A 25 -6.311 14.589 -3.497 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.814 15.693 -4.211 1.00 0.00 C ATOM 348 CD2 TYR A 25 -7.115 13.450 -3.311 1.00 0.00 C ATOM 349 CE1 TYR A 25 -8.112 15.654 -4.746 1.00 0.00 C ATOM 350 CE2 TYR A 25 -8.412 13.411 -3.848 1.00 0.00 C ATOM 351 CZ TYR A 25 -8.907 14.509 -4.573 1.00 0.00 C ATOM 352 OH TYR A 25 -10.161 14.458 -5.106 1.00 0.00 O ATOM 0 H TYR A 25 -3.235 16.322 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.708 15.682 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.278 15.211 -3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.494 13.612 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.201 16.571 -4.348 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.735 12.606 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.498 16.503 -5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.030 12.537 -3.704 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.572 13.594 -4.893 1.00 0.00 H new ATOM 362 N CYS A 26 -3.224 13.688 -0.395 1.00 0.00 N ATOM 363 CA CYS A 26 -2.889 12.614 0.535 1.00 0.00 C ATOM 364 C CYS A 26 -2.826 13.160 1.960 1.00 0.00 C ATOM 365 O CYS A 26 -3.239 12.499 2.913 1.00 0.00 O ATOM 366 CB CYS A 26 -1.620 11.874 0.107 1.00 0.00 C ATOM 367 SG CYS A 26 -1.546 10.187 0.761 1.00 0.00 S ATOM 0 H CYS A 26 -2.431 14.068 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.679 11.863 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.573 11.841 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.747 12.431 0.447 1.00 0.00 H new ATOM 372 N ASN A 27 -2.366 14.406 2.115 1.00 0.00 N ATOM 373 CA ASN A 27 -2.465 15.107 3.384 1.00 0.00 C ATOM 374 C ASN A 27 -3.927 15.160 3.854 1.00 0.00 C ATOM 375 O ASN A 27 -4.270 14.756 4.964 1.00 0.00 O ATOM 376 CB ASN A 27 -1.877 16.510 3.223 1.00 0.00 C ATOM 377 CG ASN A 27 -1.485 17.111 4.560 1.00 0.00 C ATOM 378 OD1 ASN A 27 -1.647 16.505 5.614 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.892 18.295 4.516 1.00 0.00 N ATOM 0 H ASN A 27 -1.922 14.944 1.371 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.899 14.574 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.003 16.466 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.606 17.156 2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.555 18.729 5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.773 18.773 3.623 1.00 0.00 H new ATOM 386 N LEU A 28 -4.812 15.618 2.966 1.00 0.00 N ATOM 387 CA LEU A 28 -6.251 15.611 3.173 1.00 0.00 C ATOM 388 C LEU A 28 -6.712 14.204 3.550 1.00 0.00 C ATOM 389 O LEU A 28 -7.424 14.045 4.537 1.00 0.00 O ATOM 390 CB LEU A 28 -6.957 16.136 1.914 1.00 0.00 C ATOM 391 CG LEU A 28 -8.485 15.985 1.954 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.109 16.860 3.048 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.065 16.375 0.591 1.00 0.00 C ATOM 0 H LEU A 28 -4.537 16.011 2.066 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.514 16.273 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.708 17.189 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.571 15.605 1.044 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.721 14.945 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.191 16.728 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.709 16.569 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.871 17.906 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.150 16.270 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.805 17.410 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.653 15.723 -0.180 1.00 0.00 H new ATOM 405 N MET A 29 -6.306 13.185 2.784 1.00 0.00 N ATOM 406 CA MET A 29 -6.655 11.801 3.070 1.00 0.00 C ATOM 407 C MET A 29 -6.370 11.461 4.535 1.00 0.00 C ATOM 408 O MET A 29 -7.258 10.972 5.232 1.00 0.00 O ATOM 409 CB MET A 29 -5.916 10.850 2.115 1.00 0.00 C ATOM 410 CG MET A 29 -6.505 9.436 2.129 1.00 0.00 C ATOM 411 SD MET A 29 -8.129 9.220 1.355 1.00 0.00 S ATOM 412 CE MET A 29 -7.731 9.562 -0.376 1.00 0.00 C ATOM 0 H MET A 29 -5.728 13.303 1.952 1.00 0.00 H new ATOM 0 HA MET A 29 -7.725 11.671 2.906 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.961 11.249 1.102 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.863 10.805 2.394 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.800 8.769 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.577 9.108 3.166 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.568 9.265 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.542 10.628 -0.502 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.843 8.999 -0.663 1.00 0.00 H new ATOM 422 N MET A 30 -5.150 11.724 5.021 1.00 0.00 N ATOM 423 CA MET A 30 -4.833 11.417 6.410 1.00 0.00 C ATOM 424 C MET A 30 -5.690 12.242 7.371 1.00 0.00 C ATOM 425 O MET A 30 -6.183 11.706 8.362 1.00 0.00 O ATOM 426 CB MET A 30 -3.335 11.501 6.741 1.00 0.00 C ATOM 427 CG MET A 30 -2.669 12.881 6.616 1.00 0.00 C ATOM 428 SD MET A 30 -1.219 13.205 7.659 1.00 0.00 S ATOM 429 CE MET A 30 0.030 12.165 6.889 1.00 0.00 C ATOM 0 H MET A 30 -4.388 12.138 4.484 1.00 0.00 H new ATOM 0 HA MET A 30 -5.090 10.367 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.193 11.148 7.762 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.804 10.808 6.088 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.374 13.020 5.576 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.420 13.639 6.838 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.871 12.040 7.571 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.399 11.190 6.660 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.377 12.634 5.968 1.00 0.00 H new ATOM 439 N CYS A 31 -5.881 13.533 7.083 1.00 0.00 N ATOM 440 CA CYS A 31 -6.691 14.402 7.928 1.00 0.00 C ATOM 441 C CYS A 31 -8.104 13.836 8.081 1.00 0.00 C ATOM 442 O CYS A 31 -8.587 13.661 9.196 1.00 0.00 O ATOM 443 CB CYS A 31 -6.721 15.823 7.363 1.00 0.00 C ATOM 444 SG CYS A 31 -7.771 16.822 8.442 1.00 0.00 S ATOM 0 H CYS A 31 -5.482 13.997 6.267 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.239 14.445 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.714 16.238 7.318 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.111 15.822 6.345 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.819 18.041 7.993 1.00 0.00 H new ATOM 450 N CYS A 32 -8.742 13.500 6.958 1.00 0.00 N ATOM 451 CA CYS A 32 -10.059 12.882 6.917 1.00 0.00 C ATOM 452 C CYS A 32 -10.053 11.543 7.649 1.00 0.00 C ATOM 453 O CYS A 32 -10.972 11.247 8.409 1.00 0.00 O ATOM 454 CB CYS A 32 -10.499 12.686 5.462 1.00 0.00 C ATOM 455 SG CYS A 32 -11.026 14.261 4.745 1.00 0.00 S ATOM 0 H CYS A 32 -8.343 13.656 6.032 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.766 13.542 7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.676 12.271 4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.317 11.967 5.416 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.393 14.075 3.512 1.00 0.00 H new ATOM 461 N ARG A 33 -9.027 10.719 7.414 1.00 0.00 N ATOM 462 CA ARG A 33 -8.892 9.416 8.054 1.00 0.00 C ATOM 463 C ARG A 33 -8.727 9.557 9.577 1.00 0.00 C ATOM 464 O ARG A 33 -9.145 8.671 10.321 1.00 0.00 O ATOM 465 CB ARG A 33 -7.721 8.652 7.410 1.00 0.00 C ATOM 466 CG ARG A 33 -7.632 7.180 7.837 1.00 0.00 C ATOM 467 CD ARG A 33 -8.650 6.272 7.135 1.00 0.00 C ATOM 468 NE ARG A 33 -8.687 4.944 7.769 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.242 3.845 7.237 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.743 3.867 5.998 1.00 0.00 N ATOM 471 NH2 ARG A 33 -9.296 2.720 7.958 1.00 0.00 N ATOM 0 H ARG A 33 -8.267 10.942 6.772 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.804 8.840 7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.820 8.701 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.788 9.152 7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.627 6.811 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.782 7.114 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.639 6.727 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.389 6.170 6.082 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.255 4.852 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.705 4.725 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.163 3.026 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.917 2.702 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.716 1.880 7.561 1.00 0.00 H new ATOM 485 N LYS A 34 -8.089 10.640 10.036 1.00 0.00 N ATOM 486 CA LYS A 34 -7.872 10.973 11.444 1.00 0.00 C ATOM 487 C LYS A 34 -6.948 9.983 12.166 1.00 0.00 C ATOM 488 O LYS A 34 -6.863 10.000 13.393 1.00 0.00 O ATOM 489 CB LYS A 34 -9.208 11.148 12.188 1.00 0.00 C ATOM 490 CG LYS A 34 -9.991 12.366 11.690 1.00 0.00 C ATOM 491 CD LYS A 34 -11.283 12.517 12.504 1.00 0.00 C ATOM 492 CE LYS A 34 -12.061 13.775 12.101 1.00 0.00 C ATOM 493 NZ LYS A 34 -11.341 15.006 12.474 1.00 0.00 N ATOM 0 H LYS A 34 -7.693 11.338 9.406 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.350 11.930 11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.814 10.251 12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.016 11.253 13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.383 13.265 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.227 12.251 10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.911 11.638 12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.041 12.563 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.234 13.767 11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.040 13.767 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.971 15.825 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.035 14.942 13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.508 15.120 11.861 1.00 0.00 H new ATOM 507 N MET A 35 -6.205 9.149 11.433 1.00 0.00 N ATOM 508 CA MET A 35 -5.305 8.189 12.068 1.00 0.00 C ATOM 509 C MET A 35 -4.065 8.901 12.600 1.00 0.00 C ATOM 510 O MET A 35 -3.510 8.538 13.634 1.00 0.00 O ATOM 511 CB MET A 35 -4.925 7.100 11.058 1.00 0.00 C ATOM 512 CG MET A 35 -6.053 6.072 10.923 1.00 0.00 C ATOM 513 SD MET A 35 -6.146 4.856 12.261 1.00 0.00 S ATOM 514 CE MET A 35 -7.589 3.916 11.716 1.00 0.00 C ATOM 0 H MET A 35 -6.209 9.120 10.413 1.00 0.00 H new ATOM 0 HA MET A 35 -5.809 7.720 12.913 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.720 7.552 10.088 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.009 6.603 11.378 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.003 6.603 10.869 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.930 5.542 9.979 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.794 3.118 12.429 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.453 4.578 11.655 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.393 3.484 10.735 1.00 0.00 H new ATOM 524 N THR A 36 -3.634 9.938 11.892 1.00 0.00 N ATOM 525 CA THR A 36 -2.357 10.595 12.057 1.00 0.00 C ATOM 526 C THR A 36 -2.379 11.674 13.143 1.00 0.00 C ATOM 527 O THR A 36 -1.566 12.595 13.116 1.00 0.00 O ATOM 528 CB THR A 36 -2.047 11.168 10.674 1.00 0.00 C ATOM 529 OG1 THR A 36 -3.184 11.886 10.230 1.00 0.00 O ATOM 530 CG2 THR A 36 -1.800 10.010 9.699 1.00 0.00 C ATOM 0 H THR A 36 -4.198 10.359 11.153 1.00 0.00 H new ATOM 0 HA THR A 36 -1.588 9.903 12.400 1.00 0.00 H new ATOM 0 HB THR A 36 -1.170 11.814 10.720 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.937 12.452 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.578 10.409 8.709 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.956 9.414 10.048 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.690 9.383 9.646 1.00 0.00 H new ATOM 538 N GLN A 37 -3.311 11.573 14.096 1.00 0.00 N ATOM 539 CA GLN A 37 -3.503 12.599 15.107 1.00 0.00 C ATOM 540 C GLN A 37 -2.320 12.681 16.071 1.00 0.00 C ATOM 541 O GLN A 37 -1.665 13.715 16.178 1.00 0.00 O ATOM 542 CB GLN A 37 -4.823 12.366 15.853 1.00 0.00 C ATOM 543 CG GLN A 37 -6.016 12.976 15.102 1.00 0.00 C ATOM 544 CD GLN A 37 -7.348 12.828 15.842 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.396 12.705 15.221 1.00 0.00 O ATOM 546 NE2 GLN A 37 -7.346 12.867 17.172 1.00 0.00 N ATOM 0 H GLN A 37 -3.946 10.780 14.182 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.558 13.563 14.602 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.984 11.296 15.983 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.759 12.802 16.850 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.822 14.035 14.928 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.099 12.503 14.124 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.466 12.970 17.678 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.224 12.794 17.686 1.00 0.00 H new ATOM 555 N GLY A 38 -2.085 11.603 16.816 1.00 0.00 N ATOM 556 CA GLY A 38 -1.068 11.580 17.861 1.00 0.00 C ATOM 557 C GLY A 38 0.319 11.843 17.274 1.00 0.00 C ATOM 558 O GLY A 38 1.074 12.676 17.772 1.00 0.00 O ATOM 0 H GLY A 38 -2.593 10.725 16.712 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.298 12.333 18.615 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.078 10.613 18.363 1.00 0.00 H new ATOM 562 N LYS A 39 0.639 11.111 16.208 1.00 0.00 N ATOM 563 CA LYS A 39 1.809 11.279 15.370 1.00 0.00 C ATOM 564 C LYS A 39 1.379 10.833 13.975 1.00 0.00 C ATOM 565 O LYS A 39 0.355 10.161 13.841 1.00 0.00 O ATOM 566 CB LYS A 39 2.983 10.435 15.876 1.00 0.00 C ATOM 567 CG LYS A 39 3.498 10.903 17.247 1.00 0.00 C ATOM 568 CD LYS A 39 4.861 10.299 17.625 1.00 0.00 C ATOM 569 CE LYS A 39 4.760 8.959 18.367 1.00 0.00 C ATOM 570 NZ LYS A 39 4.133 7.905 17.553 1.00 0.00 N ATOM 0 H LYS A 39 0.049 10.341 15.894 1.00 0.00 H new ATOM 0 HA LYS A 39 2.157 12.312 15.376 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.673 9.392 15.945 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.796 10.479 15.152 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.578 11.990 17.245 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.767 10.639 18.011 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.450 10.158 16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.402 11.010 18.249 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.758 8.637 18.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.183 9.097 19.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.385 6.973 17.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.100 8.020 17.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.471 7.977 16.572 1.00 0.00 H new ATOM 584 N CYS A 40 2.136 11.214 12.947 1.00 0.00 N ATOM 585 CA CYS A 40 1.743 11.020 11.559 1.00 0.00 C ATOM 586 C CYS A 40 2.423 9.784 10.984 1.00 0.00 C ATOM 587 O CYS A 40 3.609 9.553 11.209 1.00 0.00 O ATOM 588 CB CYS A 40 2.027 12.294 10.762 1.00 0.00 C ATOM 589 SG CYS A 40 0.908 13.630 11.248 1.00 0.00 S ATOM 0 H CYS A 40 3.043 11.668 13.058 1.00 0.00 H new ATOM 0 HA CYS A 40 0.671 10.836 11.494 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.060 12.604 10.922 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.916 12.092 9.697 1.00 0.00 H new ATOM 594 N LYS A 41 1.649 8.969 10.263 1.00 0.00 N ATOM 595 CA LYS A 41 2.100 7.716 9.684 1.00 0.00 C ATOM 596 C LYS A 41 3.176 8.039 8.640 1.00 0.00 C ATOM 597 O LYS A 41 2.880 8.767 7.692 1.00 0.00 O ATOM 598 CB LYS A 41 0.884 7.000 9.077 1.00 0.00 C ATOM 599 CG LYS A 41 1.203 5.581 8.592 1.00 0.00 C ATOM 600 CD LYS A 41 -0.057 4.961 7.973 1.00 0.00 C ATOM 601 CE LYS A 41 0.172 3.508 7.544 1.00 0.00 C ATOM 602 NZ LYS A 41 0.343 2.612 8.701 1.00 0.00 N ATOM 0 H LYS A 41 0.669 9.173 10.065 1.00 0.00 H new ATOM 0 HA LYS A 41 2.539 7.050 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.089 6.953 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.504 7.587 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.008 5.608 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.552 4.970 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.873 5.002 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.365 5.550 7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.673 3.169 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.056 3.452 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.377 1.625 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.230 2.844 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.457 2.733 9.355 1.00 0.00 H new ATOM 616 N PRO A 42 4.410 7.532 8.791 1.00 0.00 N ATOM 617 CA PRO A 42 5.546 7.982 8.001 1.00 0.00 C ATOM 618 C PRO A 42 5.377 7.691 6.510 1.00 0.00 C ATOM 619 O PRO A 42 5.697 8.543 5.683 1.00 0.00 O ATOM 620 CB PRO A 42 6.768 7.281 8.605 1.00 0.00 C ATOM 621 CG PRO A 42 6.187 6.041 9.284 1.00 0.00 C ATOM 622 CD PRO A 42 4.823 6.535 9.764 1.00 0.00 C ATOM 0 HA PRO A 42 5.653 9.066 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.494 7.012 7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.283 7.923 9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.095 5.205 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.810 5.702 10.112 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.105 5.717 9.817 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.890 6.965 10.763 1.00 0.00 H new ATOM 630 N VAL A 43 4.897 6.490 6.167 1.00 0.00 N ATOM 631 CA VAL A 43 4.743 6.033 4.792 1.00 0.00 C ATOM 632 C VAL A 43 3.458 5.215 4.676 1.00 0.00 C ATOM 633 O VAL A 43 3.122 4.488 5.611 1.00 0.00 O ATOM 634 CB VAL A 43 5.962 5.184 4.383 1.00 0.00 C ATOM 635 CG1 VAL A 43 5.784 4.552 2.992 1.00 0.00 C ATOM 636 CG2 VAL A 43 7.263 5.998 4.408 1.00 0.00 C ATOM 0 H VAL A 43 4.600 5.799 6.856 1.00 0.00 H new ATOM 0 HA VAL A 43 4.681 6.891 4.123 1.00 0.00 H new ATOM 0 HB VAL A 43 6.032 4.387 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.667 3.963 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.906 3.906 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.653 5.339 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.097 5.361 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.182 6.834 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.435 6.378 5.415 1.00 0.00 H new ATOM 646 N ASN A 44 2.758 5.307 3.537 1.00 0.00 N ATOM 647 CA ASN A 44 1.715 4.352 3.173 1.00 0.00 C ATOM 648 C ASN A 44 1.539 4.320 1.658 1.00 0.00 C ATOM 649 O ASN A 44 1.653 5.353 0.999 1.00 0.00 O ATOM 650 CB ASN A 44 0.370 4.643 3.846 1.00 0.00 C ATOM 651 CG ASN A 44 -0.640 3.552 3.476 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.312 2.367 3.519 1.00 0.00 O ATOM 653 ND2 ASN A 44 -1.848 3.932 3.077 1.00 0.00 N ATOM 0 H ASN A 44 2.902 6.045 2.847 1.00 0.00 H new ATOM 0 HA ASN A 44 2.045 3.378 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.495 4.684 4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.002 5.618 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.535 3.233 2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.089 4.923 3.053 1.00 0.00 H new ATOM 660 N THR A 45 1.251 3.137 1.116 1.00 0.00 N ATOM 661 CA THR A 45 1.014 2.935 -0.303 1.00 0.00 C ATOM 662 C THR A 45 -0.482 3.023 -0.596 1.00 0.00 C ATOM 663 O THR A 45 -1.308 2.767 0.272 1.00 0.00 O ATOM 664 CB THR A 45 1.613 1.597 -0.744 1.00 0.00 C ATOM 665 OG1 THR A 45 2.843 1.394 -0.074 1.00 0.00 O ATOM 666 CG2 THR A 45 1.892 1.530 -2.247 1.00 0.00 C ATOM 0 H THR A 45 1.176 2.281 1.665 1.00 0.00 H new ATOM 0 HA THR A 45 1.506 3.719 -0.878 1.00 0.00 H new ATOM 0 HB THR A 45 0.877 0.831 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.410 2.186 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.316 0.557 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.961 1.672 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.598 2.314 -2.521 1.00 0.00 H new ATOM 674 N PHE A 46 -0.794 3.419 -1.827 1.00 0.00 N ATOM 675 CA PHE A 46 -2.129 3.610 -2.360 1.00 0.00 C ATOM 676 C PHE A 46 -2.152 2.875 -3.701 1.00 0.00 C ATOM 677 O PHE A 46 -2.149 3.490 -4.770 1.00 0.00 O ATOM 678 CB PHE A 46 -2.391 5.120 -2.487 1.00 0.00 C ATOM 679 CG PHE A 46 -2.579 5.833 -1.158 1.00 0.00 C ATOM 680 CD1 PHE A 46 -1.474 6.111 -0.331 1.00 0.00 C ATOM 681 CD2 PHE A 46 -3.875 6.131 -0.700 1.00 0.00 C ATOM 682 CE1 PHE A 46 -1.671 6.602 0.971 1.00 0.00 C ATOM 683 CE2 PHE A 46 -4.075 6.581 0.615 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.972 6.835 1.448 1.00 0.00 C ATOM 0 H PHE A 46 -0.072 3.627 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.920 3.213 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.557 5.579 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.281 5.273 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.472 5.946 -0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.720 6.013 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.821 6.801 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.078 6.732 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.124 7.208 2.450 1.00 0.00 H new ATOM 694 N VAL A 47 -2.090 1.542 -3.640 1.00 0.00 N ATOM 695 CA VAL A 47 -1.956 0.682 -4.808 1.00 0.00 C ATOM 696 C VAL A 47 -3.205 0.804 -5.686 1.00 0.00 C ATOM 697 O VAL A 47 -4.302 0.414 -5.282 1.00 0.00 O ATOM 698 CB VAL A 47 -1.676 -0.773 -4.378 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.593 -1.709 -5.589 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.359 -0.883 -3.597 1.00 0.00 C ATOM 0 H VAL A 47 -2.133 1.026 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.102 1.003 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.508 -1.070 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.395 -2.726 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.537 -1.685 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.788 -1.382 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.192 -1.921 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.465 -0.543 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.414 -0.263 -2.702 1.00 0.00 H new ATOM 710 N HIS A 48 -3.036 1.338 -6.897 1.00 0.00 N ATOM 711 CA HIS A 48 -4.110 1.481 -7.866 1.00 0.00 C ATOM 712 C HIS A 48 -4.372 0.142 -8.564 1.00 0.00 C ATOM 713 O HIS A 48 -4.089 0.006 -9.753 1.00 0.00 O ATOM 714 CB HIS A 48 -3.751 2.563 -8.896 1.00 0.00 C ATOM 715 CG HIS A 48 -3.666 3.979 -8.382 1.00 0.00 C ATOM 716 ND1 HIS A 48 -3.496 4.402 -7.074 1.00 0.00 N ATOM 717 CD2 HIS A 48 -3.747 5.087 -9.175 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.485 5.750 -7.084 1.00 0.00 C ATOM 719 NE2 HIS A 48 -3.631 6.184 -8.351 1.00 0.00 N ATOM 0 H HIS A 48 -2.137 1.686 -7.231 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.018 1.785 -7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.791 2.304 -9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.492 2.534 -9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.878 5.101 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.376 6.382 -6.215 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.652 7.159 -8.649 1.00 0.00 H new ATOM 728 N GLU A 49 -4.923 -0.843 -7.847 1.00 0.00 N ATOM 729 CA GLU A 49 -5.406 -2.077 -8.465 1.00 0.00 C ATOM 730 C GLU A 49 -6.661 -2.575 -7.750 1.00 0.00 C ATOM 731 O GLU A 49 -6.808 -2.366 -6.549 1.00 0.00 O ATOM 732 CB GLU A 49 -4.292 -3.135 -8.522 1.00 0.00 C ATOM 733 CG GLU A 49 -4.181 -4.004 -7.261 1.00 0.00 C ATOM 734 CD GLU A 49 -3.009 -4.978 -7.332 1.00 0.00 C ATOM 735 OE1 GLU A 49 -3.017 -5.805 -8.268 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.133 -4.890 -6.447 1.00 0.00 O ATOM 0 H GLU A 49 -5.045 -0.807 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.688 -1.871 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.466 -3.783 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.339 -2.633 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.064 -3.361 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.107 -4.562 -7.124 1.00 0.00 H new ATOM 743 N SER A 50 -7.573 -3.217 -8.482 1.00 0.00 N ATOM 744 CA SER A 50 -8.846 -3.673 -7.948 1.00 0.00 C ATOM 745 C SER A 50 -8.666 -4.874 -7.012 1.00 0.00 C ATOM 746 O SER A 50 -7.723 -5.650 -7.159 1.00 0.00 O ATOM 747 CB SER A 50 -9.768 -4.018 -9.122 1.00 0.00 C ATOM 748 OG SER A 50 -9.610 -3.044 -10.140 1.00 0.00 O ATOM 0 H SER A 50 -7.442 -3.434 -9.470 1.00 0.00 H new ATOM 0 HA SER A 50 -9.293 -2.879 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.529 -5.008 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.805 -4.048 -8.789 1.00 0.00 H new ATOM 0 HG SER A 50 -10.197 -3.261 -10.894 1.00 0.00 H new ATOM 754 N LEU A 51 -9.609 -5.061 -6.082 1.00 0.00 N ATOM 755 CA LEU A 51 -9.619 -6.161 -5.120 1.00 0.00 C ATOM 756 C LEU A 51 -9.354 -7.503 -5.807 1.00 0.00 C ATOM 757 O LEU A 51 -8.548 -8.297 -5.332 1.00 0.00 O ATOM 758 CB LEU A 51 -10.979 -6.163 -4.401 1.00 0.00 C ATOM 759 CG LEU A 51 -11.180 -7.314 -3.400 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.246 -7.189 -2.192 1.00 0.00 C ATOM 761 CD2 LEU A 51 -12.633 -7.307 -2.913 1.00 0.00 C ATOM 0 H LEU A 51 -10.406 -4.433 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.819 -6.019 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.096 -5.217 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.770 -6.210 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.947 -8.249 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.420 -8.021 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.210 -7.207 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.443 -6.249 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.783 -8.120 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.849 -6.356 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.302 -7.440 -3.763 1.00 0.00 H new ATOM 773 N ALA A 52 -10.023 -7.755 -6.936 1.00 0.00 N ATOM 774 CA ALA A 52 -9.819 -8.967 -7.718 1.00 0.00 C ATOM 775 C ALA A 52 -8.343 -9.159 -8.071 1.00 0.00 C ATOM 776 O ALA A 52 -7.797 -10.251 -7.910 1.00 0.00 O ATOM 777 CB ALA A 52 -10.683 -8.918 -8.980 1.00 0.00 C ATOM 0 H ALA A 52 -10.720 -7.122 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.121 -9.824 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.528 -9.826 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.733 -8.842 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.404 -8.051 -9.579 1.00 0.00 H new ATOM 783 N ASP A 53 -7.689 -8.090 -8.536 1.00 0.00 N ATOM 784 CA ASP A 53 -6.277 -8.125 -8.863 1.00 0.00 C ATOM 785 C ASP A 53 -5.477 -8.402 -7.595 1.00 0.00 C ATOM 786 O ASP A 53 -4.616 -9.274 -7.613 1.00 0.00 O ATOM 787 CB ASP A 53 -5.827 -6.826 -9.540 1.00 0.00 C ATOM 788 CG ASP A 53 -6.540 -6.576 -10.861 1.00 0.00 C ATOM 789 OD1 ASP A 53 -7.663 -6.031 -10.802 1.00 0.00 O ATOM 790 OD2 ASP A 53 -5.950 -6.929 -11.905 1.00 0.00 O ATOM 0 H ASP A 53 -8.130 -7.184 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.096 -8.927 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.011 -5.988 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.752 -6.865 -9.714 1.00 0.00 H new ATOM 795 N VAL A 54 -5.777 -7.702 -6.493 1.00 0.00 N ATOM 796 CA VAL A 54 -5.083 -7.918 -5.221 1.00 0.00 C ATOM 797 C VAL A 54 -5.176 -9.393 -4.807 1.00 0.00 C ATOM 798 O VAL A 54 -4.193 -9.986 -4.364 1.00 0.00 O ATOM 799 CB VAL A 54 -5.627 -7.002 -4.105 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.967 -7.336 -2.759 1.00 0.00 C ATOM 801 CG2 VAL A 54 -5.390 -5.523 -4.415 1.00 0.00 C ATOM 0 H VAL A 54 -6.497 -6.981 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.035 -7.658 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.701 -7.180 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.365 -6.679 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.178 -8.373 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.889 -7.194 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.788 -4.913 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.320 -5.339 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.893 -5.261 -5.346 1.00 0.00 H new ATOM 811 N LYS A 55 -6.360 -9.996 -4.935 1.00 0.00 N ATOM 812 CA LYS A 55 -6.548 -11.387 -4.598 1.00 0.00 C ATOM 813 C LYS A 55 -5.728 -12.280 -5.525 1.00 0.00 C ATOM 814 O LYS A 55 -4.923 -13.075 -5.043 1.00 0.00 O ATOM 815 CB LYS A 55 -8.038 -11.732 -4.655 1.00 0.00 C ATOM 816 CG LYS A 55 -8.810 -11.184 -3.451 1.00 0.00 C ATOM 817 CD LYS A 55 -10.273 -11.643 -3.540 1.00 0.00 C ATOM 818 CE LYS A 55 -11.100 -11.213 -2.323 1.00 0.00 C ATOM 819 NZ LYS A 55 -10.624 -11.842 -1.077 1.00 0.00 N ATOM 0 H LYS A 55 -7.201 -9.529 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.194 -11.564 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.467 -11.329 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.156 -12.815 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.361 -11.538 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.758 -10.095 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.724 -11.234 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.305 -12.729 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.056 -10.129 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.145 -11.476 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.299 -11.647 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.545 -12.870 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.692 -11.454 -0.826 1.00 0.00 H new ATOM 833 N ALA A 56 -5.912 -12.148 -6.843 1.00 0.00 N ATOM 834 CA ALA A 56 -5.153 -12.924 -7.819 1.00 0.00 C ATOM 835 C ALA A 56 -3.656 -12.862 -7.500 1.00 0.00 C ATOM 836 O ALA A 56 -2.980 -13.888 -7.427 1.00 0.00 O ATOM 837 CB ALA A 56 -5.441 -12.403 -9.231 1.00 0.00 C ATOM 0 H ALA A 56 -6.587 -11.505 -7.257 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.461 -13.968 -7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.873 -12.985 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.506 -12.498 -9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.150 -11.355 -9.298 1.00 0.00 H new ATOM 843 N VAL A 57 -3.169 -11.646 -7.248 1.00 0.00 N ATOM 844 CA VAL A 57 -1.804 -11.344 -6.853 1.00 0.00 C ATOM 845 C VAL A 57 -1.309 -12.245 -5.712 1.00 0.00 C ATOM 846 O VAL A 57 -0.150 -12.662 -5.711 1.00 0.00 O ATOM 847 CB VAL A 57 -1.698 -9.834 -6.545 1.00 0.00 C ATOM 848 CG1 VAL A 57 -0.699 -9.442 -5.452 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.430 -9.034 -7.825 1.00 0.00 C ATOM 0 H VAL A 57 -3.748 -10.809 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.129 -11.569 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.674 -9.577 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.709 -8.360 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.978 -9.924 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.302 -9.763 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.359 -7.974 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.494 -9.367 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.246 -9.192 -8.530 1.00 0.00 H new ATOM 859 N CYS A 58 -2.159 -12.571 -4.736 1.00 0.00 N ATOM 860 CA CYS A 58 -1.732 -13.432 -3.641 1.00 0.00 C ATOM 861 C CYS A 58 -1.357 -14.834 -4.121 1.00 0.00 C ATOM 862 O CYS A 58 -0.496 -15.474 -3.527 1.00 0.00 O ATOM 863 CB CYS A 58 -2.814 -13.532 -2.572 1.00 0.00 C ATOM 864 SG CYS A 58 -2.316 -14.526 -1.142 1.00 0.00 S ATOM 0 H CYS A 58 -3.128 -12.257 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.842 -12.972 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.077 -12.529 -2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.712 -13.966 -3.013 1.00 0.00 H new ATOM 869 N SER A 59 -1.992 -15.312 -5.193 1.00 0.00 N ATOM 870 CA SER A 59 -1.877 -16.690 -5.641 1.00 0.00 C ATOM 871 C SER A 59 -1.253 -16.787 -7.032 1.00 0.00 C ATOM 872 O SER A 59 -1.500 -17.757 -7.743 1.00 0.00 O ATOM 873 CB SER A 59 -3.276 -17.312 -5.618 1.00 0.00 C ATOM 874 OG SER A 59 -3.846 -17.168 -4.330 1.00 0.00 O ATOM 0 H SER A 59 -2.605 -14.743 -5.776 1.00 0.00 H new ATOM 0 HA SER A 59 -1.211 -17.235 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.910 -16.830 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.219 -18.367 -5.884 1.00 0.00 H new ATOM 0 HG SER A 59 -4.741 -17.566 -4.322 1.00 0.00 H new ATOM 880 N GLN A 60 -0.455 -15.791 -7.428 1.00 0.00 N ATOM 881 CA GLN A 60 0.078 -15.719 -8.784 1.00 0.00 C ATOM 882 C GLN A 60 1.337 -16.573 -8.946 1.00 0.00 C ATOM 883 O GLN A 60 1.370 -17.491 -9.761 1.00 0.00 O ATOM 884 CB GLN A 60 0.248 -14.257 -9.218 1.00 0.00 C ATOM 885 CG GLN A 60 1.344 -13.502 -8.460 1.00 0.00 C ATOM 886 CD GLN A 60 1.174 -11.999 -8.587 1.00 0.00 C ATOM 887 OE1 GLN A 60 0.887 -11.484 -9.664 1.00 0.00 O ATOM 888 NE2 GLN A 60 1.315 -11.281 -7.478 1.00 0.00 N ATOM 0 H GLN A 60 -0.165 -15.022 -6.823 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.645 -16.158 -9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.474 -14.230 -10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.699 -13.736 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.320 -13.784 -7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.321 -13.793 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.554 -11.741 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.184 -10.270 -7.505 1.00 0.00 H new ATOM 897 N LYS A 61 2.381 -16.264 -8.175 1.00 0.00 N ATOM 898 CA LYS A 61 3.673 -16.922 -8.228 1.00 0.00 C ATOM 899 C LYS A 61 4.382 -16.574 -6.929 1.00 0.00 C ATOM 900 O LYS A 61 4.587 -15.395 -6.641 1.00 0.00 O ATOM 901 CB LYS A 61 4.457 -16.414 -9.442 1.00 0.00 C ATOM 902 CG LYS A 61 5.833 -17.079 -9.574 1.00 0.00 C ATOM 903 CD LYS A 61 6.535 -16.542 -10.827 1.00 0.00 C ATOM 904 CE LYS A 61 7.914 -17.187 -10.990 1.00 0.00 C ATOM 905 NZ LYS A 61 8.597 -16.684 -12.194 1.00 0.00 N ATOM 0 H LYS A 61 2.342 -15.523 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 61 3.580 -18.003 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.879 -16.600 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.585 -15.335 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.436 -16.874 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.722 -18.161 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.926 -16.746 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.640 -15.459 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.522 -16.979 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.807 -18.270 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.529 -17.138 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.026 -16.905 -13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.719 -15.654 -12.119 1.00 0.00 H new ATOM 919 N LYS A 62 4.711 -17.589 -6.133 1.00 0.00 N ATOM 920 CA LYS A 62 5.381 -17.389 -4.864 1.00 0.00 C ATOM 921 C LYS A 62 6.869 -17.178 -5.116 1.00 0.00 C ATOM 922 O LYS A 62 7.451 -17.814 -5.994 1.00 0.00 O ATOM 923 CB LYS A 62 5.129 -18.601 -3.957 1.00 0.00 C ATOM 924 CG LYS A 62 5.503 -18.312 -2.495 1.00 0.00 C ATOM 925 CD LYS A 62 5.172 -19.503 -1.582 1.00 0.00 C ATOM 926 CE LYS A 62 6.381 -20.410 -1.318 1.00 0.00 C ATOM 927 NZ LYS A 62 6.906 -21.019 -2.552 1.00 0.00 N ATOM 0 H LYS A 62 4.519 -18.566 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 62 4.989 -16.505 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.078 -18.884 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.708 -19.451 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.567 -18.086 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.967 -17.428 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.790 -19.130 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.375 -20.092 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.169 -19.830 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.096 -21.197 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.619 -21.736 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.128 -21.468 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.343 -20.284 -3.143 1.00 0.00 H new ATOM 941 N VAL A 63 7.477 -16.302 -4.323 1.00 0.00 N ATOM 942 CA VAL A 63 8.904 -16.090 -4.242 1.00 0.00 C ATOM 943 C VAL A 63 9.245 -15.976 -2.757 1.00 0.00 C ATOM 944 O VAL A 63 8.406 -15.573 -1.952 1.00 0.00 O ATOM 945 CB VAL A 63 9.318 -14.835 -5.038 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.065 -15.027 -6.538 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.595 -13.561 -4.574 1.00 0.00 C ATOM 0 H VAL A 63 6.955 -15.694 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 63 9.457 -16.917 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 63 10.384 -14.706 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.365 -14.128 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.645 -15.876 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.004 -15.214 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.930 -12.714 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.519 -13.688 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.822 -13.376 -3.524 1.00 0.00 H new ATOM 957 N THR A 64 10.466 -16.345 -2.376 1.00 0.00 N ATOM 958 CA THR A 64 10.946 -16.021 -1.044 1.00 0.00 C ATOM 959 C THR A 64 11.370 -14.555 -1.099 1.00 0.00 C ATOM 960 O THR A 64 11.981 -14.133 -2.083 1.00 0.00 O ATOM 961 CB THR A 64 12.072 -16.983 -0.628 1.00 0.00 C ATOM 962 OG1 THR A 64 12.363 -16.818 0.745 1.00 0.00 O ATOM 963 CG2 THR A 64 13.365 -16.823 -1.437 1.00 0.00 C ATOM 0 H THR A 64 11.126 -16.858 -2.960 1.00 0.00 H new ATOM 0 HA THR A 64 10.182 -16.146 -0.276 1.00 0.00 H new ATOM 0 HB THR A 64 11.697 -17.985 -0.834 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.825 -17.615 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.108 -17.537 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.160 -17.008 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.748 -15.810 -1.314 1.00 0.00 H new ATOM 971 N CYS A 65 11.028 -13.755 -0.087 1.00 0.00 N ATOM 972 CA CYS A 65 11.593 -12.418 0.008 1.00 0.00 C ATOM 973 C CYS A 65 13.109 -12.511 0.190 1.00 0.00 C ATOM 974 O CYS A 65 13.648 -13.583 0.473 1.00 0.00 O ATOM 975 CB CYS A 65 11.002 -11.681 1.208 1.00 0.00 C ATOM 976 SG CYS A 65 9.513 -10.704 0.890 1.00 0.00 S ATOM 0 H CYS A 65 10.379 -14.005 0.659 1.00 0.00 H new ATOM 0 HA CYS A 65 11.358 -11.875 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.772 -12.414 1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.766 -11.018 1.614 1.00 0.00 H new ATOM 981 N LYS A 66 13.790 -11.359 0.141 1.00 0.00 N ATOM 982 CA LYS A 66 15.187 -11.218 0.549 1.00 0.00 C ATOM 983 C LYS A 66 15.268 -11.257 2.083 1.00 0.00 C ATOM 984 O LYS A 66 15.711 -10.316 2.736 1.00 0.00 O ATOM 985 CB LYS A 66 15.764 -9.919 -0.023 1.00 0.00 C ATOM 986 CG LYS A 66 15.701 -9.900 -1.557 1.00 0.00 C ATOM 987 CD LYS A 66 16.527 -8.752 -2.156 1.00 0.00 C ATOM 988 CE LYS A 66 16.008 -7.375 -1.727 1.00 0.00 C ATOM 989 NZ LYS A 66 16.742 -6.294 -2.407 1.00 0.00 N ATOM 0 H LYS A 66 13.376 -10.487 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 66 15.784 -12.041 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.211 -9.068 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.799 -9.806 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.067 -10.850 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.663 -9.803 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 66 17.567 -8.857 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 66 16.507 -8.822 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.945 -7.296 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.111 -7.265 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.370 -5.374 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.752 -6.357 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.623 -6.387 -3.436 1.00 0.00 H new ATOM 1003 N ASP A 67 14.788 -12.369 2.632 1.00 0.00 N ATOM 1004 CA ASP A 67 14.609 -12.689 4.039 1.00 0.00 C ATOM 1005 C ASP A 67 14.821 -14.185 4.279 1.00 0.00 C ATOM 1006 O ASP A 67 15.288 -14.571 5.346 1.00 0.00 O ATOM 1007 CB ASP A 67 13.220 -12.250 4.513 1.00 0.00 C ATOM 1008 CG ASP A 67 13.270 -11.588 5.884 1.00 0.00 C ATOM 1009 OD1 ASP A 67 13.486 -10.358 5.918 1.00 0.00 O ATOM 1010 OD2 ASP A 67 13.082 -12.327 6.873 1.00 0.00 O ATOM 0 H ASP A 67 14.486 -13.143 2.041 1.00 0.00 H new ATOM 0 HA ASP A 67 15.354 -12.144 4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.793 -11.555 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.559 -13.116 4.552 1.00 0.00 H new ATOM 1015 N GLY A 68 14.460 -15.033 3.304 1.00 0.00 N ATOM 1016 CA GLY A 68 14.559 -16.476 3.469 1.00 0.00 C ATOM 1017 C GLY A 68 13.584 -16.949 4.545 1.00 0.00 C ATOM 1018 O GLY A 68 13.942 -17.757 5.399 1.00 0.00 O ATOM 0 H GLY A 68 14.098 -14.737 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.340 -16.974 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.578 -16.749 3.745 1.00 0.00 H new ATOM 1022 N GLN A 69 12.357 -16.420 4.512 1.00 0.00 N ATOM 1023 CA GLN A 69 11.375 -16.615 5.567 1.00 0.00 C ATOM 1024 C GLN A 69 9.957 -16.473 5.010 1.00 0.00 C ATOM 1025 O GLN A 69 9.176 -17.420 5.029 1.00 0.00 O ATOM 1026 CB GLN A 69 11.652 -15.597 6.683 1.00 0.00 C ATOM 1027 CG GLN A 69 10.789 -15.845 7.927 1.00 0.00 C ATOM 1028 CD GLN A 69 10.970 -14.741 8.964 1.00 0.00 C ATOM 1029 OE1 GLN A 69 10.011 -14.082 9.348 1.00 0.00 O ATOM 1030 NE2 GLN A 69 12.198 -14.525 9.425 1.00 0.00 N ATOM 0 H GLN A 69 12.021 -15.840 3.743 1.00 0.00 H new ATOM 0 HA GLN A 69 11.456 -17.622 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.705 -15.643 6.960 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.464 -14.591 6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.740 -15.904 7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.053 -16.806 8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.977 -15.090 9.086 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.362 -13.794 10.118 1.00 0.00 H new ATOM 1039 N THR A 70 9.608 -15.271 4.556 1.00 0.00 N ATOM 1040 CA THR A 70 8.263 -14.896 4.199 1.00 0.00 C ATOM 1041 C THR A 70 7.911 -15.372 2.787 1.00 0.00 C ATOM 1042 O THR A 70 8.676 -15.207 1.835 1.00 0.00 O ATOM 1043 CB THR A 70 8.144 -13.375 4.371 1.00 0.00 C ATOM 1044 OG1 THR A 70 9.366 -12.762 4.001 1.00 0.00 O ATOM 1045 CG2 THR A 70 7.878 -13.023 5.837 1.00 0.00 C ATOM 0 H THR A 70 10.282 -14.516 4.427 1.00 0.00 H new ATOM 0 HA THR A 70 7.538 -15.382 4.851 1.00 0.00 H new ATOM 0 HB THR A 70 7.323 -13.024 3.745 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.291 -11.791 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.796 -11.941 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.948 -13.490 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.700 -13.386 6.453 1.00 0.00 H new ATOM 1053 N ASN A 71 6.715 -15.955 2.686 1.00 0.00 N ATOM 1054 CA ASN A 71 6.051 -16.338 1.448 1.00 0.00 C ATOM 1055 C ASN A 71 5.613 -15.063 0.735 1.00 0.00 C ATOM 1056 O ASN A 71 4.538 -14.525 1.011 1.00 0.00 O ATOM 1057 CB ASN A 71 4.832 -17.225 1.747 1.00 0.00 C ATOM 1058 CG ASN A 71 5.212 -18.634 2.194 1.00 0.00 C ATOM 1059 OD1 ASN A 71 6.204 -19.196 1.743 1.00 0.00 O ATOM 1060 ND2 ASN A 71 4.414 -19.231 3.074 1.00 0.00 N ATOM 0 H ASN A 71 6.159 -16.182 3.510 1.00 0.00 H new ATOM 0 HA ASN A 71 6.733 -16.908 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.229 -16.754 2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.209 -17.289 0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.621 -20.179 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.595 -18.741 3.434 1.00 0.00 H new ATOM 1067 N CYS A 72 6.474 -14.566 -0.150 1.00 0.00 N ATOM 1068 CA CYS A 72 6.264 -13.328 -0.879 1.00 0.00 C ATOM 1069 C CYS A 72 5.737 -13.655 -2.273 1.00 0.00 C ATOM 1070 O CYS A 72 5.788 -14.807 -2.697 1.00 0.00 O ATOM 1071 CB CYS A 72 7.541 -12.478 -0.819 1.00 0.00 C ATOM 1072 SG CYS A 72 7.931 -12.046 0.899 1.00 0.00 S ATOM 0 H CYS A 72 7.354 -15.026 -0.382 1.00 0.00 H new ATOM 0 HA CYS A 72 5.495 -12.703 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.372 -13.027 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.410 -11.570 -1.408 1.00 0.00 H new ATOM 1077 N TYR A 73 5.141 -12.680 -2.962 1.00 0.00 N ATOM 1078 CA TYR A 73 4.465 -12.893 -4.235 1.00 0.00 C ATOM 1079 C TYR A 73 4.682 -11.670 -5.121 1.00 0.00 C ATOM 1080 O TYR A 73 4.242 -10.572 -4.770 1.00 0.00 O ATOM 1081 CB TYR A 73 2.968 -13.146 -4.015 1.00 0.00 C ATOM 1082 CG TYR A 73 2.646 -14.443 -3.302 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.634 -14.496 -1.896 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.399 -15.611 -4.045 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.420 -15.718 -1.239 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.158 -16.830 -3.386 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.148 -16.877 -1.983 1.00 0.00 C ATOM 1088 OH TYR A 73 1.948 -18.059 -1.337 1.00 0.00 O ATOM 0 H TYR A 73 5.116 -11.711 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 73 4.881 -13.773 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.554 -12.318 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.467 -13.144 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.790 -13.595 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.394 -15.572 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.465 -15.766 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.981 -17.728 -3.958 1.00 0.00 H new ATOM 0 HH TYR A 73 1.770 -18.765 -1.993 1.00 0.00 H new ATOM 1098 N GLN A 74 5.402 -11.851 -6.232 1.00 0.00 N ATOM 1099 CA GLN A 74 5.636 -10.789 -7.204 1.00 0.00 C ATOM 1100 C GLN A 74 4.460 -10.616 -8.148 1.00 0.00 C ATOM 1101 O GLN A 74 3.962 -11.593 -8.700 1.00 0.00 O ATOM 1102 CB GLN A 74 6.936 -11.009 -7.968 1.00 0.00 C ATOM 1103 CG GLN A 74 7.079 -10.099 -9.200 1.00 0.00 C ATOM 1104 CD GLN A 74 8.478 -10.120 -9.802 1.00 0.00 C ATOM 1105 OE1 GLN A 74 9.424 -10.625 -9.209 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.625 -9.552 -10.995 1.00 0.00 N ATOM 0 H GLN A 74 5.837 -12.740 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 74 5.737 -9.859 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.777 -10.836 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.991 -12.050 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.360 -10.409 -9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.826 -9.076 -8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.820 -9.139 -11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.543 -9.529 -11.439 1.00 0.00 H new ATOM 1115 N SER A 75 4.108 -9.359 -8.405 1.00 0.00 N ATOM 1116 CA SER A 75 3.093 -8.989 -9.383 1.00 0.00 C ATOM 1117 C SER A 75 3.506 -9.460 -10.777 1.00 0.00 C ATOM 1118 O SER A 75 4.538 -9.038 -11.298 1.00 0.00 O ATOM 1119 CB SER A 75 2.800 -7.485 -9.348 1.00 0.00 C ATOM 1120 OG SER A 75 3.947 -6.712 -9.614 1.00 0.00 O ATOM 0 H SER A 75 4.527 -8.558 -7.932 1.00 0.00 H new ATOM 0 HA SER A 75 2.162 -9.492 -9.121 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.028 -7.250 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.403 -7.217 -8.369 1.00 0.00 H new ATOM 0 HG SER A 75 3.946 -6.437 -10.555 1.00 0.00 H new ATOM 1126 N LYS A 76 2.658 -10.263 -11.421 1.00 0.00 N ATOM 1127 CA LYS A 76 2.822 -10.737 -12.791 1.00 0.00 C ATOM 1128 C LYS A 76 2.488 -9.629 -13.808 1.00 0.00 C ATOM 1129 O LYS A 76 2.117 -9.902 -14.948 1.00 0.00 O ATOM 1130 CB LYS A 76 1.918 -11.969 -12.956 1.00 0.00 C ATOM 1131 CG LYS A 76 2.211 -12.806 -14.211 1.00 0.00 C ATOM 1132 CD LYS A 76 0.916 -13.045 -15.000 1.00 0.00 C ATOM 1133 CE LYS A 76 1.159 -13.848 -16.282 1.00 0.00 C ATOM 1134 NZ LYS A 76 1.613 -15.221 -15.997 1.00 0.00 N ATOM 0 H LYS A 76 1.806 -10.613 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 76 3.859 -11.011 -12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.026 -12.604 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.879 -11.641 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.939 -12.292 -14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.654 -13.760 -13.926 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.202 -13.576 -14.371 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.465 -12.086 -15.254 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.240 -13.884 -16.867 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.905 -13.339 -16.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.652 -15.765 -16.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.560 -15.191 -15.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.949 -15.677 -15.340 1.00 0.00 H new ATOM 1148 N SER A 77 2.594 -8.364 -13.404 1.00 0.00 N ATOM 1149 CA SER A 77 2.453 -7.173 -14.202 1.00 0.00 C ATOM 1150 C SER A 77 3.114 -6.055 -13.397 1.00 0.00 C ATOM 1151 O SER A 77 3.438 -6.251 -12.223 1.00 0.00 O ATOM 1152 CB SER A 77 0.966 -6.889 -14.409 1.00 0.00 C ATOM 1153 OG SER A 77 0.428 -7.756 -15.386 1.00 0.00 O ATOM 0 H SER A 77 2.797 -8.141 -12.430 1.00 0.00 H new ATOM 0 HA SER A 77 2.914 -7.267 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.431 -7.016 -13.468 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.827 -5.853 -14.718 1.00 0.00 H new ATOM 0 HG SER A 77 0.989 -8.557 -15.457 1.00 0.00 H new ATOM 1159 N THR A 78 3.300 -4.892 -14.010 1.00 0.00 N ATOM 1160 CA THR A 78 3.739 -3.673 -13.357 1.00 0.00 C ATOM 1161 C THR A 78 2.496 -2.800 -13.183 1.00 0.00 C ATOM 1162 O THR A 78 1.538 -2.948 -13.944 1.00 0.00 O ATOM 1163 CB THR A 78 4.757 -3.003 -14.291 1.00 0.00 C ATOM 1164 OG1 THR A 78 4.211 -2.922 -15.593 1.00 0.00 O ATOM 1165 CG2 THR A 78 6.043 -3.832 -14.395 1.00 0.00 C ATOM 0 H THR A 78 3.143 -4.772 -15.011 1.00 0.00 H new ATOM 0 HA THR A 78 4.204 -3.845 -12.386 1.00 0.00 H new ATOM 0 HB THR A 78 4.983 -2.018 -13.884 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.459 -3.722 -16.102 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.745 -3.333 -15.063 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.492 -3.933 -13.407 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.808 -4.821 -14.789 1.00 0.00 H new ATOM 1173 N MET A 79 2.475 -1.925 -12.174 1.00 0.00 N ATOM 1174 CA MET A 79 1.341 -1.043 -11.925 1.00 0.00 C ATOM 1175 C MET A 79 1.857 0.307 -11.433 1.00 0.00 C ATOM 1176 O MET A 79 2.912 0.374 -10.802 1.00 0.00 O ATOM 1177 CB MET A 79 0.367 -1.687 -10.925 1.00 0.00 C ATOM 1178 CG MET A 79 -0.265 -2.963 -11.500 1.00 0.00 C ATOM 1179 SD MET A 79 -1.515 -3.745 -10.460 1.00 0.00 S ATOM 1180 CE MET A 79 -2.025 -5.096 -11.544 1.00 0.00 C ATOM 0 H MET A 79 3.242 -1.811 -11.511 1.00 0.00 H new ATOM 0 HA MET A 79 0.785 -0.882 -12.849 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.896 -1.925 -10.002 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.417 -0.975 -10.668 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.716 -2.722 -12.462 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.528 -3.686 -11.692 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.799 -5.685 -11.052 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.417 -4.687 -12.475 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.167 -5.733 -11.760 1.00 0.00 H new ATOM 1190 N ARG A 80 1.120 1.377 -11.748 1.00 0.00 N ATOM 1191 CA ARG A 80 1.443 2.750 -11.382 1.00 0.00 C ATOM 1192 C ARG A 80 1.014 2.996 -9.935 1.00 0.00 C ATOM 1193 O ARG A 80 0.062 3.726 -9.667 1.00 0.00 O ATOM 1194 CB ARG A 80 0.800 3.735 -12.376 1.00 0.00 C ATOM 1195 CG ARG A 80 -0.691 3.474 -12.640 1.00 0.00 C ATOM 1196 CD ARG A 80 -0.926 2.636 -13.907 1.00 0.00 C ATOM 1197 NE ARG A 80 -2.154 1.837 -13.796 1.00 0.00 N ATOM 1198 CZ ARG A 80 -3.404 2.325 -13.815 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -3.624 3.630 -14.008 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -4.435 1.494 -13.638 1.00 0.00 N ATOM 0 H ARG A 80 0.254 1.303 -12.283 1.00 0.00 H new ATOM 0 HA ARG A 80 2.519 2.916 -11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.919 4.749 -11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.340 3.685 -13.322 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.124 2.959 -11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.212 4.427 -12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.994 3.294 -14.774 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.074 1.977 -14.073 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.048 0.827 -13.696 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.837 4.265 -14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.578 3.990 -14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.268 0.499 -13.490 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.389 1.855 -13.651 1.00 0.00 H new ATOM 1214 N ILE A 81 1.700 2.362 -8.987 1.00 0.00 N ATOM 1215 CA ILE A 81 1.293 2.395 -7.599 1.00 0.00 C ATOM 1216 C ILE A 81 1.762 3.704 -6.964 1.00 0.00 C ATOM 1217 O ILE A 81 2.892 4.143 -7.187 1.00 0.00 O ATOM 1218 CB ILE A 81 1.782 1.131 -6.877 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.309 1.042 -6.709 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.268 -0.108 -7.620 1.00 0.00 C ATOM 1221 CD1 ILE A 81 3.750 1.482 -5.311 1.00 0.00 C ATOM 0 H ILE A 81 2.544 1.818 -9.164 1.00 0.00 H new ATOM 0 HA ILE A 81 0.207 2.383 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 81 1.377 1.182 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.636 0.018 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.795 1.668 -7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.613 -1.007 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.178 -0.096 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.647 -0.102 -8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.834 1.405 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.446 2.515 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.284 0.840 -4.564 1.00 0.00 H new ATOM 1233 N THR A 82 0.865 4.345 -6.210 1.00 0.00 N ATOM 1234 CA THR A 82 1.114 5.611 -5.538 1.00 0.00 C ATOM 1235 C THR A 82 1.633 5.311 -4.128 1.00 0.00 C ATOM 1236 O THR A 82 1.214 4.320 -3.533 1.00 0.00 O ATOM 1237 CB THR A 82 -0.186 6.424 -5.558 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.535 6.696 -6.901 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.071 7.761 -4.822 1.00 0.00 C ATOM 0 H THR A 82 -0.076 3.984 -6.050 1.00 0.00 H new ATOM 0 HA THR A 82 1.875 6.211 -6.036 1.00 0.00 H new ATOM 0 HB THR A 82 -0.941 5.825 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.270 7.343 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.024 8.288 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.189 7.581 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.704 8.368 -5.289 1.00 0.00 H new ATOM 1247 N ASP A 83 2.547 6.131 -3.600 1.00 0.00 N ATOM 1248 CA ASP A 83 3.188 5.932 -2.310 1.00 0.00 C ATOM 1249 C ASP A 83 3.369 7.271 -1.605 1.00 0.00 C ATOM 1250 O ASP A 83 4.148 8.103 -2.062 1.00 0.00 O ATOM 1251 CB ASP A 83 4.526 5.196 -2.497 1.00 0.00 C ATOM 1252 CG ASP A 83 4.979 4.439 -1.249 1.00 0.00 C ATOM 1253 OD1 ASP A 83 4.118 3.797 -0.607 1.00 0.00 O ATOM 1254 OD2 ASP A 83 6.199 4.475 -0.979 1.00 0.00 O ATOM 0 H ASP A 83 2.866 6.974 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 83 2.554 5.310 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.434 4.494 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.294 5.918 -2.774 1.00 0.00 H new ATOM 1259 N CYS A 84 2.633 7.491 -0.513 1.00 0.00 N ATOM 1260 CA CYS A 84 2.699 8.723 0.244 1.00 0.00 C ATOM 1261 C CYS A 84 3.775 8.577 1.308 1.00 0.00 C ATOM 1262 O CYS A 84 3.696 7.640 2.104 1.00 0.00 O ATOM 1263 CB CYS A 84 1.345 9.043 0.872 1.00 0.00 C ATOM 1264 SG CYS A 84 0.002 9.290 -0.309 1.00 0.00 S ATOM 0 H CYS A 84 1.974 6.810 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 84 2.952 9.552 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.072 8.231 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.446 9.942 1.480 1.00 0.00 H new ATOM 1269 N ARG A 85 4.770 9.473 1.319 1.00 0.00 N ATOM 1270 CA ARG A 85 5.847 9.472 2.308 1.00 0.00 C ATOM 1271 C ARG A 85 5.938 10.846 2.946 1.00 0.00 C ATOM 1272 O ARG A 85 5.826 11.829 2.227 1.00 0.00 O ATOM 1273 CB ARG A 85 7.186 9.158 1.636 1.00 0.00 C ATOM 1274 CG ARG A 85 7.118 7.812 0.911 1.00 0.00 C ATOM 1275 CD ARG A 85 8.504 7.193 0.727 1.00 0.00 C ATOM 1276 NE ARG A 85 8.363 5.856 0.142 1.00 0.00 N ATOM 1277 CZ ARG A 85 9.252 4.860 0.210 1.00 0.00 C ATOM 1278 NH1 ARG A 85 10.462 5.050 0.746 1.00 0.00 N ATOM 1279 NH2 ARG A 85 8.896 3.665 -0.269 1.00 0.00 N ATOM 0 H ARG A 85 4.848 10.225 0.634 1.00 0.00 H new ATOM 0 HA ARG A 85 5.632 8.713 3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.438 9.947 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.979 9.136 2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.486 7.127 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.649 7.948 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.114 7.823 0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.017 7.131 1.686 1.00 0.00 H new ATOM 0 HE ARG A 85 7.500 5.667 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.720 5.967 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.127 4.278 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.968 3.533 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.552 2.885 -0.232 1.00 0.00 H new ATOM 1293 N GLU A 86 6.117 10.953 4.263 1.00 0.00 N ATOM 1294 CA GLU A 86 6.241 12.253 4.915 1.00 0.00 C ATOM 1295 C GLU A 86 7.254 13.150 4.183 1.00 0.00 C ATOM 1296 O GLU A 86 8.437 12.826 4.132 1.00 0.00 O ATOM 1297 CB GLU A 86 6.567 12.074 6.406 1.00 0.00 C ATOM 1298 CG GLU A 86 7.812 11.225 6.714 1.00 0.00 C ATOM 1299 CD GLU A 86 8.021 11.047 8.216 1.00 0.00 C ATOM 1300 OE1 GLU A 86 7.593 11.949 8.969 1.00 0.00 O ATOM 1301 OE2 GLU A 86 8.601 10.004 8.585 1.00 0.00 O ATOM 0 H GLU A 86 6.179 10.156 4.896 1.00 0.00 H new ATOM 0 HA GLU A 86 5.283 12.770 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.701 13.060 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.707 11.617 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.711 10.247 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.692 11.699 6.278 1.00 0.00 H new ATOM 1308 N THR A 87 6.796 14.266 3.598 1.00 0.00 N ATOM 1309 CA THR A 87 7.596 15.175 2.790 1.00 0.00 C ATOM 1310 C THR A 87 8.939 15.575 3.406 1.00 0.00 C ATOM 1311 O THR A 87 9.895 15.840 2.682 1.00 0.00 O ATOM 1312 CB THR A 87 6.722 16.393 2.459 1.00 0.00 C ATOM 1313 OG1 THR A 87 5.381 15.958 2.297 1.00 0.00 O ATOM 1314 CG2 THR A 87 7.185 17.103 1.184 1.00 0.00 C ATOM 0 H THR A 87 5.824 14.564 3.682 1.00 0.00 H new ATOM 0 HA THR A 87 7.891 14.649 1.882 1.00 0.00 H new ATOM 0 HB THR A 87 6.804 17.106 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.841 16.690 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.538 17.958 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.212 17.446 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.135 16.411 0.344 1.00 0.00 H new ATOM 1322 N GLY A 88 9.015 15.616 4.734 1.00 0.00 N ATOM 1323 CA GLY A 88 10.278 15.769 5.432 1.00 0.00 C ATOM 1324 C GLY A 88 10.078 15.459 6.906 1.00 0.00 C ATOM 1325 O GLY A 88 10.553 14.443 7.406 1.00 0.00 O ATOM 0 H GLY A 88 8.205 15.544 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.025 15.100 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.653 16.785 5.310 1.00 0.00 H new ATOM 1329 N SER A 89 9.363 16.347 7.597 1.00 0.00 N ATOM 1330 CA SER A 89 9.215 16.321 9.041 1.00 0.00 C ATOM 1331 C SER A 89 7.758 16.567 9.439 1.00 0.00 C ATOM 1332 O SER A 89 7.495 17.263 10.415 1.00 0.00 O ATOM 1333 CB SER A 89 10.170 17.373 9.620 1.00 0.00 C ATOM 1334 OG SER A 89 10.089 18.566 8.854 1.00 0.00 O ATOM 0 H SER A 89 8.863 17.118 7.154 1.00 0.00 H new ATOM 0 HA SER A 89 9.473 15.342 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.913 17.579 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.192 16.994 9.613 1.00 0.00 H new ATOM 0 HG SER A 89 10.699 19.236 9.227 1.00 0.00 H new ATOM 1340 N SER A 90 6.808 15.985 8.695 1.00 0.00 N ATOM 1341 CA SER A 90 5.398 15.978 9.016 1.00 0.00 C ATOM 1342 C SER A 90 5.138 15.730 10.510 1.00 0.00 C ATOM 1343 O SER A 90 5.350 14.616 10.986 1.00 0.00 O ATOM 1344 CB SER A 90 4.804 14.863 8.158 1.00 0.00 C ATOM 1345 OG SER A 90 5.180 15.080 6.808 1.00 0.00 O ATOM 0 H SER A 90 7.020 15.493 7.827 1.00 0.00 H new ATOM 0 HA SER A 90 4.943 16.947 8.810 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.163 13.892 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.718 14.852 8.251 1.00 0.00 H new ATOM 0 HG SER A 90 4.475 14.746 6.214 1.00 0.00 H new ATOM 1351 N LYS A 91 4.665 16.748 11.238 1.00 0.00 N ATOM 1352 CA LYS A 91 4.449 16.684 12.680 1.00 0.00 C ATOM 1353 C LYS A 91 3.140 17.396 13.026 1.00 0.00 C ATOM 1354 O LYS A 91 3.041 18.614 12.883 1.00 0.00 O ATOM 1355 CB LYS A 91 5.652 17.311 13.401 1.00 0.00 C ATOM 1356 CG LYS A 91 5.639 17.102 14.923 1.00 0.00 C ATOM 1357 CD LYS A 91 5.865 15.633 15.326 1.00 0.00 C ATOM 1358 CE LYS A 91 4.599 14.919 15.818 1.00 0.00 C ATOM 1359 NZ LYS A 91 4.109 15.474 17.094 1.00 0.00 N ATOM 0 H LYS A 91 4.419 17.651 10.832 1.00 0.00 H new ATOM 0 HA LYS A 91 4.364 15.649 13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.570 16.887 12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.673 18.380 13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.413 17.722 15.377 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.684 17.441 15.323 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.267 15.090 14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.620 15.594 16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.818 15.005 15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.808 13.856 15.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.422 14.818 17.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.909 15.605 17.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.651 16.391 16.920 1.00 0.00 H new ATOM 1373 N TYR A 92 2.128 16.632 13.452 1.00 0.00 N ATOM 1374 CA TYR A 92 0.776 17.129 13.672 1.00 0.00 C ATOM 1375 C TYR A 92 0.785 18.375 14.569 1.00 0.00 C ATOM 1376 O TYR A 92 1.476 18.367 15.587 1.00 0.00 O ATOM 1377 CB TYR A 92 -0.099 16.011 14.262 1.00 0.00 C ATOM 1378 CG TYR A 92 -1.559 16.071 13.855 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -1.942 15.737 12.543 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -2.543 16.428 14.796 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -3.299 15.721 12.182 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -3.901 16.426 14.431 1.00 0.00 C ATOM 1383 CZ TYR A 92 -4.280 16.054 13.131 1.00 0.00 C ATOM 1384 OH TYR A 92 -5.602 15.999 12.805 1.00 0.00 O ATOM 0 H TYR A 92 2.232 15.638 13.655 1.00 0.00 H new ATOM 0 HA TYR A 92 0.349 17.430 12.715 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.310 15.048 13.957 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.036 16.054 15.349 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.188 15.492 11.810 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.255 16.704 15.800 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.588 15.453 11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.653 16.711 15.151 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.141 16.260 13.580 1.00 0.00 H new ATOM 1394 N PRO A 93 0.057 19.451 14.220 1.00 0.00 N ATOM 1395 CA PRO A 93 -0.875 19.568 13.102 1.00 0.00 C ATOM 1396 C PRO A 93 -0.179 19.754 11.748 1.00 0.00 C ATOM 1397 O PRO A 93 -0.787 19.506 10.709 1.00 0.00 O ATOM 1398 CB PRO A 93 -1.729 20.796 13.433 1.00 0.00 C ATOM 1399 CG PRO A 93 -0.764 21.686 14.215 1.00 0.00 C ATOM 1400 CD PRO A 93 0.050 20.669 15.014 1.00 0.00 C ATOM 0 HA PRO A 93 -1.456 18.652 12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.093 21.289 12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.604 20.531 14.026 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.134 22.281 13.554 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.292 22.384 14.865 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.064 21.029 15.186 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.396 20.494 15.993 1.00 0.00 H new ATOM 1408 N ASN A 94 1.086 20.182 11.737 1.00 0.00 N ATOM 1409 CA ASN A 94 1.819 20.496 10.517 1.00 0.00 C ATOM 1410 C ASN A 94 2.307 19.199 9.873 1.00 0.00 C ATOM 1411 O ASN A 94 3.509 18.933 9.827 1.00 0.00 O ATOM 1412 CB ASN A 94 2.991 21.444 10.819 1.00 0.00 C ATOM 1413 CG ASN A 94 2.557 22.849 11.230 1.00 0.00 C ATOM 1414 OD1 ASN A 94 1.374 23.151 11.349 1.00 0.00 O ATOM 1415 ND2 ASN A 94 3.523 23.738 11.451 1.00 0.00 N ATOM 0 H ASN A 94 1.633 20.320 12.587 1.00 0.00 H new ATOM 0 HA ASN A 94 1.158 21.007 9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.598 21.014 11.616 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.626 21.514 9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.286 24.691 11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.500 23.466 11.346 1.00 0.00 H new ATOM 1422 N CYS A 95 1.372 18.389 9.372 1.00 0.00 N ATOM 1423 CA CYS A 95 1.685 17.193 8.603 1.00 0.00 C ATOM 1424 C CYS A 95 1.490 17.426 7.115 1.00 0.00 C ATOM 1425 O CYS A 95 0.816 18.364 6.690 1.00 0.00 O ATOM 1426 CB CYS A 95 0.960 15.953 9.134 1.00 0.00 C ATOM 1427 SG CYS A 95 1.826 15.359 10.595 1.00 0.00 S ATOM 0 H CYS A 95 0.372 18.549 9.492 1.00 0.00 H new ATOM 0 HA CYS A 95 2.745 16.979 8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.074 16.196 9.380 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.931 15.176 8.370 1.00 0.00 H new ATOM 1432 N ALA A 96 2.167 16.586 6.336 1.00 0.00 N ATOM 1433 CA ALA A 96 2.336 16.696 4.905 1.00 0.00 C ATOM 1434 C ALA A 96 2.621 15.290 4.388 1.00 0.00 C ATOM 1435 O ALA A 96 3.118 14.454 5.147 1.00 0.00 O ATOM 1436 CB ALA A 96 3.519 17.628 4.633 1.00 0.00 C ATOM 0 H ALA A 96 2.637 15.765 6.718 1.00 0.00 H new ATOM 0 HA ALA A 96 1.454 17.103 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.665 17.726 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.316 18.609 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.420 17.214 5.085 1.00 0.00 H new ATOM 1442 N TYR A 97 2.326 15.033 3.112 1.00 0.00 N ATOM 1443 CA TYR A 97 2.736 13.814 2.442 1.00 0.00 C ATOM 1444 C TYR A 97 3.286 14.162 1.066 1.00 0.00 C ATOM 1445 O TYR A 97 2.810 15.089 0.408 1.00 0.00 O ATOM 1446 CB TYR A 97 1.567 12.821 2.308 1.00 0.00 C ATOM 1447 CG TYR A 97 1.399 11.757 3.385 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.521 11.099 3.924 1.00 0.00 C ATOM 1449 CD2 TYR A 97 0.123 11.202 3.599 1.00 0.00 C ATOM 1450 CE1 TYR A 97 2.369 9.956 4.721 1.00 0.00 C ATOM 1451 CE2 TYR A 97 -0.028 10.022 4.348 1.00 0.00 C ATOM 1452 CZ TYR A 97 1.094 9.418 4.938 1.00 0.00 C ATOM 1453 OH TYR A 97 0.939 8.368 5.789 1.00 0.00 O ATOM 0 H TYR A 97 1.794 15.671 2.520 1.00 0.00 H new ATOM 0 HA TYR A 97 3.508 13.333 3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.643 13.398 2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.671 12.311 1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.511 11.480 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.748 11.687 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.235 9.490 5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.006 9.580 4.470 1.00 0.00 H new ATOM 0 HH TYR A 97 1.535 8.480 6.559 1.00 0.00 H new ATOM 1463 N LYS A 98 4.287 13.384 0.657 1.00 0.00 N ATOM 1464 CA LYS A 98 4.896 13.380 -0.648 1.00 0.00 C ATOM 1465 C LYS A 98 4.316 12.179 -1.383 1.00 0.00 C ATOM 1466 O LYS A 98 4.673 11.039 -1.093 1.00 0.00 O ATOM 1467 CB LYS A 98 6.415 13.288 -0.516 1.00 0.00 C ATOM 1468 CG LYS A 98 7.162 13.537 -1.829 1.00 0.00 C ATOM 1469 CD LYS A 98 8.672 13.477 -1.554 1.00 0.00 C ATOM 1470 CE LYS A 98 9.503 13.817 -2.796 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.356 15.231 -3.186 1.00 0.00 N ATOM 0 H LYS A 98 4.714 12.698 1.280 1.00 0.00 H new ATOM 0 HA LYS A 98 4.689 14.297 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.751 14.012 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.679 12.300 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.883 12.789 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.891 14.510 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.921 14.172 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.936 12.479 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.553 13.602 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.196 13.178 -3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.022 15.450 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.383 15.402 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.559 15.840 -2.368 1.00 0.00 H new ATOM 1485 N THR A 99 3.399 12.444 -2.304 1.00 0.00 N ATOM 1486 CA THR A 99 2.564 11.440 -2.948 1.00 0.00 C ATOM 1487 C THR A 99 3.266 10.928 -4.205 1.00 0.00 C ATOM 1488 O THR A 99 2.830 11.177 -5.331 1.00 0.00 O ATOM 1489 CB THR A 99 1.182 12.060 -3.180 1.00 0.00 C ATOM 1490 OG1 THR A 99 0.755 12.609 -1.951 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.096 11.076 -3.608 1.00 0.00 C ATOM 0 H THR A 99 3.211 13.391 -2.633 1.00 0.00 H new ATOM 0 HA THR A 99 2.411 10.556 -2.329 1.00 0.00 H new ATOM 0 HB THR A 99 1.304 12.780 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.119 13.036 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.844 11.610 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.385 10.600 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.029 10.315 -2.838 1.00 0.00 H new ATOM 1499 N THR A 100 4.377 10.225 -3.981 1.00 0.00 N ATOM 1500 CA THR A 100 5.189 9.577 -4.998 1.00 0.00 C ATOM 1501 C THR A 100 4.338 8.603 -5.815 1.00 0.00 C ATOM 1502 O THR A 100 3.286 8.160 -5.355 1.00 0.00 O ATOM 1503 CB THR A 100 6.322 8.828 -4.272 1.00 0.00 C ATOM 1504 OG1 THR A 100 6.809 9.648 -3.226 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.497 8.476 -5.191 1.00 0.00 C ATOM 0 H THR A 100 4.748 10.089 -3.041 1.00 0.00 H new ATOM 0 HA THR A 100 5.601 10.312 -5.689 1.00 0.00 H new ATOM 0 HB THR A 100 5.903 7.893 -3.901 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.530 9.182 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.261 7.950 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.146 7.837 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.920 9.390 -5.607 1.00 0.00 H new ATOM 1513 N GLN A 101 4.803 8.231 -7.008 1.00 0.00 N ATOM 1514 CA GLN A 101 4.233 7.140 -7.777 1.00 0.00 C ATOM 1515 C GLN A 101 5.387 6.392 -8.430 1.00 0.00 C ATOM 1516 O GLN A 101 6.382 7.020 -8.788 1.00 0.00 O ATOM 1517 CB GLN A 101 3.230 7.682 -8.805 1.00 0.00 C ATOM 1518 CG GLN A 101 2.479 6.549 -9.516 1.00 0.00 C ATOM 1519 CD GLN A 101 1.454 7.085 -10.504 1.00 0.00 C ATOM 1520 OE1 GLN A 101 0.253 6.956 -10.295 1.00 0.00 O ATOM 1521 NE2 GLN A 101 1.915 7.688 -11.597 1.00 0.00 N ATOM 0 H GLN A 101 5.593 8.686 -7.466 1.00 0.00 H new ATOM 0 HA GLN A 101 3.676 6.453 -7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.515 8.336 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.756 8.289 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.192 5.913 -10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.979 5.924 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.920 7.780 -11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.263 8.058 -12.289 1.00 0.00 H new ATOM 1530 N VAL A 102 5.262 5.071 -8.567 1.00 0.00 N ATOM 1531 CA VAL A 102 6.229 4.247 -9.276 1.00 0.00 C ATOM 1532 C VAL A 102 5.464 3.260 -10.157 1.00 0.00 C ATOM 1533 O VAL A 102 4.460 2.696 -9.728 1.00 0.00 O ATOM 1534 CB VAL A 102 7.207 3.588 -8.284 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.518 2.665 -7.272 1.00 0.00 C ATOM 1536 CG2 VAL A 102 8.301 2.806 -9.020 1.00 0.00 C ATOM 0 H VAL A 102 4.478 4.543 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 102 6.858 4.848 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 102 7.653 4.412 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.265 2.235 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.797 3.238 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.001 1.865 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.975 2.353 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.844 2.025 -9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.863 3.484 -9.663 1.00 0.00 H new ATOM 1546 N GLU A 103 5.915 3.107 -11.405 1.00 0.00 N ATOM 1547 CA GLU A 103 5.328 2.238 -12.414 1.00 0.00 C ATOM 1548 C GLU A 103 6.265 1.058 -12.654 1.00 0.00 C ATOM 1549 O GLU A 103 7.145 1.127 -13.507 1.00 0.00 O ATOM 1550 CB GLU A 103 4.974 3.032 -13.679 1.00 0.00 C ATOM 1551 CG GLU A 103 6.032 4.073 -14.042 1.00 0.00 C ATOM 1552 CD GLU A 103 5.723 4.732 -15.380 1.00 0.00 C ATOM 1553 OE1 GLU A 103 4.853 5.630 -15.378 1.00 0.00 O ATOM 1554 OE2 GLU A 103 6.350 4.320 -16.380 1.00 0.00 O ATOM 0 H GLU A 103 6.734 3.609 -11.749 1.00 0.00 H new ATOM 0 HA GLU A 103 4.380 1.827 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.850 2.341 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.016 3.531 -13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.080 4.833 -13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.012 3.599 -14.086 1.00 0.00 H new ATOM 1561 N LYS A 104 6.087 -0.018 -11.885 1.00 0.00 N ATOM 1562 CA LYS A 104 6.928 -1.201 -11.913 1.00 0.00 C ATOM 1563 C LYS A 104 6.184 -2.289 -11.148 1.00 0.00 C ATOM 1564 O LYS A 104 5.003 -2.117 -10.836 1.00 0.00 O ATOM 1565 CB LYS A 104 8.328 -0.920 -11.330 1.00 0.00 C ATOM 1566 CG LYS A 104 9.430 -0.907 -12.400 1.00 0.00 C ATOM 1567 CD LYS A 104 9.693 -2.300 -13.000 1.00 0.00 C ATOM 1568 CE LYS A 104 10.816 -2.257 -14.043 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.432 -1.478 -15.233 1.00 0.00 N ATOM 0 H LYS A 104 5.328 -0.085 -11.207 1.00 0.00 H new ATOM 0 HA LYS A 104 7.110 -1.524 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.316 0.041 -10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.563 -1.678 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.148 -0.220 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.352 -0.525 -11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.960 -2.996 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.780 -2.677 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.709 -1.821 -13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.073 -3.273 -14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.160 -1.585 -15.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.521 -1.824 -15.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.343 -0.474 -14.977 1.00 0.00 H new ATOM 1583 N HIS A 105 6.854 -3.413 -10.890 1.00 0.00 N ATOM 1584 CA HIS A 105 6.241 -4.559 -10.241 1.00 0.00 C ATOM 1585 C HIS A 105 6.346 -4.434 -8.724 1.00 0.00 C ATOM 1586 O HIS A 105 7.343 -3.944 -8.185 1.00 0.00 O ATOM 1587 CB HIS A 105 6.786 -5.888 -10.786 1.00 0.00 C ATOM 1588 CG HIS A 105 8.284 -6.027 -10.811 1.00 0.00 C ATOM 1589 ND1 HIS A 105 9.062 -6.555 -9.798 1.00 0.00 N ATOM 1590 CD2 HIS A 105 9.085 -5.817 -11.899 1.00 0.00 C ATOM 1591 CE1 HIS A 105 10.319 -6.663 -10.267 1.00 0.00 C ATOM 1592 NE2 HIS A 105 10.357 -6.209 -11.534 1.00 0.00 N ATOM 0 H HIS A 105 7.837 -3.549 -11.127 1.00 0.00 H new ATOM 0 HA HIS A 105 5.178 -4.566 -10.483 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.376 -6.700 -10.185 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.412 -6.022 -11.801 1.00 0.00 H new ATOM 0 HD2 HIS A 105 8.782 -5.422 -12.857 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.162 -7.052 -9.715 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.187 -6.163 -12.125 1.00 0.00 H new ATOM 1601 N ILE A 106 5.277 -4.864 -8.055 1.00 0.00 N ATOM 1602 CA ILE A 106 5.166 -4.914 -6.602 1.00 0.00 C ATOM 1603 C ILE A 106 5.371 -6.336 -6.090 1.00 0.00 C ATOM 1604 O ILE A 106 5.082 -7.307 -6.787 1.00 0.00 O ATOM 1605 CB ILE A 106 3.838 -4.300 -6.120 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.604 -5.167 -6.418 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.637 -2.904 -6.725 1.00 0.00 C ATOM 1608 CD1 ILE A 106 1.355 -4.640 -5.707 1.00 0.00 C ATOM 0 H ILE A 106 4.437 -5.198 -8.528 1.00 0.00 H new ATOM 0 HA ILE A 106 5.963 -4.303 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 106 3.924 -4.236 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.427 -5.191 -7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.796 -6.193 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.694 -2.487 -6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.457 -2.254 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.617 -2.978 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.505 -5.280 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.522 -4.641 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.148 -3.623 -6.041 1.00 0.00 H new ATOM 1620 N ILE A 107 5.905 -6.450 -4.873 1.00 0.00 N ATOM 1621 CA ILE A 107 6.117 -7.704 -4.177 1.00 0.00 C ATOM 1622 C ILE A 107 5.294 -7.626 -2.897 1.00 0.00 C ATOM 1623 O ILE A 107 5.633 -6.870 -1.981 1.00 0.00 O ATOM 1624 CB ILE A 107 7.618 -7.918 -3.905 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.465 -8.196 -5.163 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.821 -9.145 -2.995 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.617 -7.030 -6.143 1.00 0.00 C ATOM 0 H ILE A 107 6.210 -5.640 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 107 5.799 -8.562 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 107 7.946 -6.981 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.460 -8.509 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 107 8.022 -9.037 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.885 -9.288 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.305 -8.985 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.416 -10.031 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.232 -7.342 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.634 -6.726 -6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.094 -6.190 -5.638 1.00 0.00 H new ATOM 1639 N VAL A 108 4.208 -8.400 -2.840 1.00 0.00 N ATOM 1640 CA VAL A 108 3.408 -8.524 -1.635 1.00 0.00 C ATOM 1641 C VAL A 108 3.837 -9.771 -0.868 1.00 0.00 C ATOM 1642 O VAL A 108 4.730 -10.492 -1.313 1.00 0.00 O ATOM 1643 CB VAL A 108 1.904 -8.499 -1.961 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.531 -7.239 -2.751 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.430 -9.752 -2.701 1.00 0.00 C ATOM 0 H VAL A 108 3.866 -8.952 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 108 3.582 -7.665 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 108 1.387 -8.483 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.463 -7.248 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.774 -6.355 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.090 -7.217 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.362 -9.674 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.971 -9.845 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.620 -10.632 -2.086 1.00 0.00 H new ATOM 1655 N ALA A 109 3.197 -10.043 0.269 1.00 0.00 N ATOM 1656 CA ALA A 109 3.333 -11.302 0.979 1.00 0.00 C ATOM 1657 C ALA A 109 1.995 -11.692 1.593 1.00 0.00 C ATOM 1658 O ALA A 109 1.200 -10.823 1.975 1.00 0.00 O ATOM 1659 CB ALA A 109 4.454 -11.226 2.016 1.00 0.00 C ATOM 0 H ALA A 109 2.564 -9.384 0.723 1.00 0.00 H new ATOM 0 HA ALA A 109 3.617 -12.086 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.536 -12.181 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.397 -11.002 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.230 -10.440 2.737 1.00 0.00 H new ATOM 1665 N CYS A 110 1.752 -13.006 1.642 1.00 0.00 N ATOM 1666 CA CYS A 110 0.512 -13.577 2.146 1.00 0.00 C ATOM 1667 C CYS A 110 0.796 -14.336 3.436 1.00 0.00 C ATOM 1668 O CYS A 110 1.875 -14.903 3.603 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.199 -14.445 1.103 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.616 -13.566 -0.422 1.00 0.00 S ATOM 0 H CYS A 110 2.423 -13.706 1.327 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.182 -12.765 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.437 -15.295 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.113 -14.846 1.541 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.153 -14.282 4.368 1.00 0.00 N ATOM 1676 CA GLY A 111 0.032 -14.772 5.724 1.00 0.00 C ATOM 1677 C GLY A 111 -0.163 -16.281 5.827 1.00 0.00 C ATOM 1678 O GLY A 111 -0.399 -16.968 4.831 1.00 0.00 O ATOM 0 H GLY A 111 -1.080 -13.892 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.033 -14.513 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.672 -14.271 6.388 1.00 0.00 H new ATOM 1682 N GLY A 112 -0.083 -16.792 7.060 1.00 0.00 N ATOM 1683 CA GLY A 112 -0.482 -18.151 7.367 1.00 0.00 C ATOM 1684 C GLY A 112 -1.982 -18.299 7.127 1.00 0.00 C ATOM 1685 O GLY A 112 -2.697 -17.304 7.033 1.00 0.00 O ATOM 0 H GLY A 112 0.261 -16.269 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.070 -18.855 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.242 -18.388 8.404 1.00 0.00 H new ATOM 1689 N LYS A 113 -2.432 -19.550 7.018 1.00 0.00 N ATOM 1690 CA LYS A 113 -3.771 -19.921 6.575 1.00 0.00 C ATOM 1691 C LYS A 113 -4.882 -19.006 7.134 1.00 0.00 C ATOM 1692 O LYS A 113 -4.937 -18.796 8.345 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.030 -21.405 6.886 1.00 0.00 C ATOM 1694 CG LYS A 113 -3.899 -21.759 8.379 1.00 0.00 C ATOM 1695 CD LYS A 113 -4.255 -23.225 8.666 1.00 0.00 C ATOM 1696 CE LYS A 113 -3.250 -24.207 8.053 1.00 0.00 C ATOM 1697 NZ LYS A 113 -3.536 -25.591 8.469 1.00 0.00 N ATOM 0 H LYS A 113 -1.852 -20.358 7.244 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.809 -19.775 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -5.032 -21.668 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.329 -22.014 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.878 -21.565 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.551 -21.109 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.298 -23.380 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.250 -23.437 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.286 -24.137 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.239 -23.934 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.840 -26.233 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.478 -25.661 9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.492 -25.857 8.157 1.00 0.00 H new ATOM 1711 N PRO A 114 -5.797 -18.490 6.293 1.00 0.00 N ATOM 1712 CA PRO A 114 -5.855 -18.671 4.849 1.00 0.00 C ATOM 1713 C PRO A 114 -4.791 -17.831 4.137 1.00 0.00 C ATOM 1714 O PRO A 114 -4.353 -16.795 4.631 1.00 0.00 O ATOM 1715 CB PRO A 114 -7.259 -18.227 4.441 1.00 0.00 C ATOM 1716 CG PRO A 114 -7.609 -17.168 5.489 1.00 0.00 C ATOM 1717 CD PRO A 114 -6.914 -17.681 6.751 1.00 0.00 C ATOM 0 HA PRO A 114 -5.657 -19.706 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.274 -17.815 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.965 -19.058 4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.245 -16.182 5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.686 -17.082 5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -6.568 -16.853 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -7.598 -18.271 7.361 1.00 0.00 H new ATOM 1725 N SER A 115 -4.376 -18.280 2.956 1.00 0.00 N ATOM 1726 CA SER A 115 -3.360 -17.613 2.160 1.00 0.00 C ATOM 1727 C SER A 115 -3.918 -16.313 1.570 1.00 0.00 C ATOM 1728 O SER A 115 -4.344 -16.305 0.419 1.00 0.00 O ATOM 1729 CB SER A 115 -2.904 -18.583 1.062 1.00 0.00 C ATOM 1730 OG SER A 115 -2.687 -19.865 1.624 1.00 0.00 O ATOM 0 H SER A 115 -4.742 -19.128 2.523 1.00 0.00 H new ATOM 0 HA SER A 115 -2.504 -17.341 2.777 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.658 -18.641 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.988 -18.218 0.597 1.00 0.00 H new ATOM 0 HG SER A 115 -2.397 -20.485 0.922 1.00 0.00 H new ATOM 1736 N VAL A 116 -3.938 -15.231 2.357 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.490 -13.938 1.952 1.00 0.00 C ATOM 1738 C VAL A 116 -3.415 -12.831 2.010 1.00 0.00 C ATOM 1739 O VAL A 116 -2.527 -12.907 2.863 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.748 -13.626 2.786 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -6.861 -14.636 2.481 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.499 -13.601 4.302 1.00 0.00 C ATOM 0 H VAL A 116 -3.565 -15.232 3.306 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.804 -13.981 0.909 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.049 -12.620 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.741 -14.399 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.118 -14.586 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.517 -15.641 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.431 -13.375 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.130 -14.574 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.759 -12.836 4.537 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.462 -11.825 1.106 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.413 -10.819 0.926 1.00 0.00 C ATOM 1754 C PRO A 117 -2.447 -9.782 2.046 1.00 0.00 C ATOM 1755 O PRO A 117 -3.396 -9.009 2.139 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.682 -10.173 -0.435 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.192 -10.330 -0.612 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.517 -11.632 0.119 1.00 0.00 C ATOM 0 HA PRO A 117 -1.421 -11.269 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.383 -9.125 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.130 -10.672 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.734 -9.486 -0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.467 -10.384 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.493 -11.574 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.555 -12.469 -0.578 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.405 -9.753 2.879 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.408 -9.040 4.147 1.00 0.00 C ATOM 1768 C VAL A 118 -0.209 -8.110 4.330 1.00 0.00 C ATOM 1769 O VAL A 118 -0.200 -7.306 5.259 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.581 -10.084 5.268 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.459 -11.129 5.250 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.620 -9.495 6.677 1.00 0.00 C ATOM 0 H VAL A 118 -0.526 -10.232 2.684 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.247 -8.345 4.178 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.549 -10.535 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.617 -11.847 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.463 -11.651 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.502 -10.634 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.744 -10.298 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.688 -8.966 6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.456 -8.800 6.758 1.00 0.00 H new ATOM 1782 N HIS A 119 0.805 -8.196 3.466 1.00 0.00 N ATOM 1783 CA HIS A 119 1.978 -7.347 3.584 1.00 0.00 C ATOM 1784 C HIS A 119 2.493 -6.944 2.209 1.00 0.00 C ATOM 1785 O HIS A 119 2.272 -7.651 1.229 1.00 0.00 O ATOM 1786 CB HIS A 119 3.020 -8.058 4.450 1.00 0.00 C ATOM 1787 CG HIS A 119 4.306 -7.295 4.624 1.00 0.00 C ATOM 1788 ND1 HIS A 119 4.495 -6.215 5.464 1.00 0.00 N ATOM 1789 CD2 HIS A 119 5.476 -7.530 3.956 1.00 0.00 C ATOM 1790 CE1 HIS A 119 5.765 -5.800 5.310 1.00 0.00 C ATOM 1791 NE2 HIS A 119 6.377 -6.585 4.405 1.00 0.00 N ATOM 0 H HIS A 119 0.831 -8.846 2.680 1.00 0.00 H new ATOM 0 HA HIS A 119 1.725 -6.411 4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.589 -8.249 5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.244 -9.028 4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 119 5.659 -8.302 3.223 1.00 0.00 H new ATOM 0 HE1 HIS A 119 6.220 -4.970 5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 119 7.347 -6.497 4.101 1.00 0.00 H new ATOM 1800 N PHE A 120 3.157 -5.788 2.157 1.00 0.00 N ATOM 1801 CA PHE A 120 3.858 -5.257 1.004 1.00 0.00 C ATOM 1802 C PHE A 120 5.328 -5.235 1.381 1.00 0.00 C ATOM 1803 O PHE A 120 5.725 -4.475 2.260 1.00 0.00 O ATOM 1804 CB PHE A 120 3.344 -3.856 0.676 1.00 0.00 C ATOM 1805 CG PHE A 120 4.205 -3.046 -0.273 1.00 0.00 C ATOM 1806 CD1 PHE A 120 4.182 -3.319 -1.653 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.936 -1.945 0.211 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.847 -2.461 -2.546 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.599 -1.090 -0.684 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.549 -1.343 -2.065 1.00 0.00 C ATOM 0 H PHE A 120 3.219 -5.170 2.966 1.00 0.00 H new ATOM 0 HA PHE A 120 3.698 -5.864 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.347 -3.946 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.240 -3.300 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.655 -4.185 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.987 -1.757 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.818 -2.662 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.147 -0.238 -0.311 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.049 -0.680 -2.755 1.00 0.00 H new ATOM 1820 N ASP A 121 6.112 -6.098 0.740 1.00 0.00 N ATOM 1821 CA ASP A 121 7.553 -6.107 0.920 1.00 0.00 C ATOM 1822 C ASP A 121 8.138 -4.815 0.361 1.00 0.00 C ATOM 1823 O ASP A 121 8.780 -4.059 1.087 1.00 0.00 O ATOM 1824 CB ASP A 121 8.164 -7.324 0.225 1.00 0.00 C ATOM 1825 CG ASP A 121 9.685 -7.321 0.342 1.00 0.00 C ATOM 1826 OD1 ASP A 121 10.166 -7.463 1.486 1.00 0.00 O ATOM 1827 OD2 ASP A 121 10.337 -7.183 -0.716 1.00 0.00 O ATOM 0 H ASP A 121 5.767 -6.803 0.088 1.00 0.00 H new ATOM 0 HA ASP A 121 7.788 -6.172 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.765 -8.237 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.878 -7.327 -0.827 1.00 0.00 H new ATOM 1832 N ALA A 122 7.932 -4.586 -0.938 1.00 0.00 N ATOM 1833 CA ALA A 122 8.514 -3.476 -1.672 1.00 0.00 C ATOM 1834 C ALA A 122 7.978 -3.498 -3.102 1.00 0.00 C ATOM 1835 O ALA A 122 7.200 -4.381 -3.472 1.00 0.00 O ATOM 1836 CB ALA A 122 10.048 -3.602 -1.689 1.00 0.00 C ATOM 0 H ALA A 122 7.342 -5.185 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 122 8.246 -2.536 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.476 -2.765 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.425 -3.592 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.331 -4.538 -2.171 1.00 0.00 H new ATOM 1842 N SER A 123 8.430 -2.543 -3.915 1.00 0.00 N ATOM 1843 CA SER A 123 8.252 -2.531 -5.352 1.00 0.00 C ATOM 1844 C SER A 123 9.589 -2.183 -5.983 1.00 0.00 C ATOM 1845 O SER A 123 10.440 -1.574 -5.334 1.00 0.00 O ATOM 1846 CB SER A 123 7.168 -1.532 -5.752 1.00 0.00 C ATOM 1847 OG SER A 123 7.333 -0.297 -5.078 1.00 0.00 O ATOM 0 H SER A 123 8.946 -1.733 -3.572 1.00 0.00 H new ATOM 0 HA SER A 123 7.924 -3.509 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.201 -1.368 -6.829 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.186 -1.946 -5.522 1.00 0.00 H new ATOM 0 HG SER A 123 6.731 0.371 -5.467 1.00 0.00 H new ATOM 1853 N VAL A 124 9.779 -2.609 -7.231 1.00 0.00 N ATOM 1854 CA VAL A 124 11.051 -2.479 -7.932 1.00 0.00 C ATOM 1855 C VAL A 124 10.850 -2.801 -9.412 1.00 0.00 C ATOM 1856 O VAL A 124 9.916 -3.579 -9.703 1.00 0.00 O ATOM 1857 CB VAL A 124 12.133 -3.365 -7.271 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.743 -4.847 -7.239 1.00 0.00 C ATOM 1859 CG2 VAL A 124 13.497 -3.205 -7.952 1.00 0.00 C ATOM 1860 OXT VAL A 124 11.616 -2.250 -10.232 1.00 0.00 O ATOM 0 H VAL A 124 9.049 -3.056 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 124 11.409 -1.452 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 124 12.211 -3.015 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.538 -5.422 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.820 -4.968 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.593 -5.206 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 124 14.228 -3.844 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 124 13.416 -3.491 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.818 -2.166 -7.883 1.00 0.00 H new