USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 759 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 77 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.152) USER MOD Set 1.2: A 80 THR OG1 : rot 62:sc= 1.32 USER MOD Set 2.1: A 8 CYS SG : rot -144:sc= -1.73! USER MOD Set 2.2: A 10 GLN : amide:sc= -3.12! K(o=-6!,f=0.68) USER MOD Set 2.3: A 11 CYS SG : rot 130:sc= 0.337 USER MOD Set 2.4: A 25 CYS SG : rot 120:sc= -0.691 USER MOD Set 2.5: A 28 CYS SG : rot -58:sc= -0.691 USER MOD Set 2.6: A 30 HIS : no HD1:sc= -0.0835 K(o=-6,f=0.68) USER MOD Single : A 12 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.2!) USER MOD Single : A 13 SER OG : rot 156:sc= 1.03 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -160:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -38:sc= 0.0481 USER MOD Single : A 53 ASN : amide:sc= -7.13! K(o=-7.1!,f=-2.4) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 107:sc= 1.31 USER MOD Single : A 62 THR OG1 : rot 22:sc= 0.493 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0277) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc=-0.00846 (180deg=-0.0991) USER MOD Single : A 84 ASN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 96 CYS SG : rot -27:sc= 1.06 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -153:sc= 0 (180deg=-0.26) USER MOD Single : A 105 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00363) USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= 1.13 (180deg=0.501) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 113 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.13) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0541 USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 5 -3.101 15.012 13.944 1.00 0.00 N ATOM 60 CA LEU A 5 -2.226 13.953 13.477 1.00 0.00 C ATOM 61 C LEU A 5 -2.230 12.777 14.447 1.00 0.00 C ATOM 62 O LEU A 5 -2.622 12.927 15.607 1.00 0.00 O ATOM 63 CB LEU A 5 -0.812 14.514 13.335 1.00 0.00 C ATOM 64 CG LEU A 5 -0.714 15.792 12.503 1.00 0.00 C ATOM 65 CD1 LEU A 5 0.616 16.483 12.743 1.00 0.00 C ATOM 66 CD2 LEU A 5 -0.901 15.482 11.024 1.00 0.00 C ATOM 0 HA LEU A 5 -2.582 13.590 12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.413 14.712 14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.177 13.752 12.883 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.511 16.468 12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.668 17.391 12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.707 16.740 13.798 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.429 15.814 12.461 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.828 16.404 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.127 14.787 10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.882 15.033 10.868 1.00 0.00 H new ATOM 78 N PRO A 6 -1.798 11.592 13.983 1.00 0.00 N ATOM 79 CA PRO A 6 -1.710 10.400 14.828 1.00 0.00 C ATOM 80 C PRO A 6 -0.704 10.582 15.963 1.00 0.00 C ATOM 81 O PRO A 6 0.154 11.471 15.915 1.00 0.00 O ATOM 82 CB PRO A 6 -1.239 9.305 13.862 1.00 0.00 C ATOM 83 CG PRO A 6 -0.580 10.041 12.754 1.00 0.00 C ATOM 84 CD PRO A 6 -1.359 11.315 12.604 1.00 0.00 C ATOM 0 HA PRO A 6 -2.658 10.170 15.314 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.547 8.618 14.349 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.077 8.709 13.499 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.466 10.245 12.985 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.596 9.460 11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.743 12.121 12.206 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.204 11.195 11.927 1.00 0.00 H new ATOM 92 N PRO A 7 -0.799 9.746 17.002 1.00 0.00 N ATOM 93 CA PRO A 7 0.100 9.805 18.146 1.00 0.00 C ATOM 94 C PRO A 7 1.513 9.346 17.802 1.00 0.00 C ATOM 95 O PRO A 7 1.858 9.132 16.641 1.00 0.00 O ATOM 96 CB PRO A 7 -0.528 8.841 19.166 1.00 0.00 C ATOM 97 CG PRO A 7 -1.881 8.505 18.631 1.00 0.00 C ATOM 98 CD PRO A 7 -1.795 8.678 17.145 1.00 0.00 C ATOM 0 HA PRO A 7 0.205 10.826 18.513 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.080 7.944 19.282 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.601 9.306 20.149 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.159 7.483 18.889 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.642 9.160 19.056 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.479 7.761 16.648 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.756 8.960 16.714 1.00 0.00 H new ATOM 106 N CYS A 8 2.324 9.193 18.829 1.00 0.00 N ATOM 107 CA CYS A 8 3.670 8.679 18.676 1.00 0.00 C ATOM 108 C CYS A 8 3.662 7.203 19.019 1.00 0.00 C ATOM 109 O CYS A 8 3.245 6.836 20.107 1.00 0.00 O ATOM 110 CB CYS A 8 4.630 9.450 19.597 1.00 0.00 C ATOM 111 SG CYS A 8 6.268 8.688 19.853 1.00 0.00 S ATOM 0 H CYS A 8 2.070 9.421 19.790 1.00 0.00 H new ATOM 0 HA CYS A 8 4.012 8.809 17.649 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.775 10.449 19.185 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.151 9.573 20.569 1.00 0.00 H new ATOM 0 HG CYS A 8 6.660 8.901 21.074 1.00 0.00 H new ATOM 116 N PRO A 9 4.112 6.334 18.100 1.00 0.00 N ATOM 117 CA PRO A 9 4.125 4.880 18.325 1.00 0.00 C ATOM 118 C PRO A 9 5.148 4.478 19.382 1.00 0.00 C ATOM 119 O PRO A 9 5.424 3.297 19.591 1.00 0.00 O ATOM 120 CB PRO A 9 4.515 4.313 16.958 1.00 0.00 C ATOM 121 CG PRO A 9 5.277 5.409 16.299 1.00 0.00 C ATOM 122 CD PRO A 9 4.647 6.690 16.771 1.00 0.00 C ATOM 0 HA PRO A 9 3.168 4.510 18.693 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.123 3.414 17.061 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.635 4.038 16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.332 5.369 16.570 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.224 5.324 15.214 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.376 7.498 16.834 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.859 7.024 16.096 1.00 0.00 H new ATOM 130 N GLN A 10 5.704 5.480 20.042 1.00 0.00 N ATOM 131 CA GLN A 10 6.720 5.277 21.046 1.00 0.00 C ATOM 132 C GLN A 10 6.260 5.804 22.398 1.00 0.00 C ATOM 133 O GLN A 10 6.570 5.212 23.431 1.00 0.00 O ATOM 134 CB GLN A 10 7.999 5.972 20.608 1.00 0.00 C ATOM 135 CG GLN A 10 8.494 5.474 19.266 1.00 0.00 C ATOM 136 CD GLN A 10 9.429 6.447 18.584 1.00 0.00 C ATOM 137 OE1 GLN A 10 9.552 6.455 17.358 1.00 0.00 O ATOM 138 NE2 GLN A 10 10.058 7.302 19.365 1.00 0.00 N ATOM 0 H GLN A 10 5.459 6.459 19.892 1.00 0.00 H new ATOM 0 HA GLN A 10 6.907 4.209 21.154 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.825 7.047 20.552 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.772 5.813 21.360 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.007 4.522 19.404 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.639 5.284 18.617 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.928 7.260 20.376 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.675 8.005 18.959 1.00 0.00 H new ATOM 147 N CYS A 11 5.517 6.913 22.414 1.00 0.00 N ATOM 148 CA CYS A 11 5.007 7.471 23.662 1.00 0.00 C ATOM 149 C CYS A 11 3.493 7.303 23.720 1.00 0.00 C ATOM 150 O CYS A 11 2.936 6.882 24.732 1.00 0.00 O ATOM 151 CB CYS A 11 5.309 8.976 23.748 1.00 0.00 C ATOM 152 SG CYS A 11 7.052 9.450 23.522 1.00 0.00 S ATOM 0 H CYS A 11 5.258 7.438 21.579 1.00 0.00 H new ATOM 0 HA CYS A 11 5.491 6.945 24.485 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.712 9.491 22.995 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.977 9.339 24.721 1.00 0.00 H new ATOM 0 HG CYS A 11 7.133 10.397 22.635 1.00 0.00 H new ATOM 157 N ASN A 12 2.846 7.662 22.602 1.00 0.00 N ATOM 158 CA ASN A 12 1.385 7.676 22.471 1.00 0.00 C ATOM 159 C ASN A 12 0.778 8.850 23.245 1.00 0.00 C ATOM 160 O ASN A 12 -0.440 9.002 23.326 1.00 0.00 O ATOM 161 CB ASN A 12 0.781 6.344 22.919 1.00 0.00 C ATOM 162 CG ASN A 12 -0.652 6.170 22.450 1.00 0.00 C ATOM 163 OD1 ASN A 12 -1.038 6.676 21.396 1.00 0.00 O ATOM 164 ND2 ASN A 12 -1.450 5.453 23.224 1.00 0.00 N ATOM 0 H ASN A 12 3.330 7.954 21.753 1.00 0.00 H new ATOM 0 HA ASN A 12 1.142 7.811 21.417 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.388 5.525 22.533 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.814 6.281 24.007 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.422 5.303 22.955 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.093 5.050 24.090 1.00 0.00 H new ATOM 171 N SER A 13 1.655 9.694 23.778 1.00 0.00 N ATOM 172 CA SER A 13 1.257 10.894 24.509 1.00 0.00 C ATOM 173 C SER A 13 0.465 11.865 23.631 1.00 0.00 C ATOM 174 O SER A 13 -0.325 12.659 24.133 1.00 0.00 O ATOM 175 CB SER A 13 2.501 11.583 25.048 1.00 0.00 C ATOM 176 OG SER A 13 3.267 10.694 25.841 1.00 0.00 O ATOM 0 H SER A 13 2.665 9.566 23.716 1.00 0.00 H new ATOM 0 HA SER A 13 0.605 10.591 25.328 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.106 11.951 24.219 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.213 12.450 25.642 1.00 0.00 H new ATOM 0 HG SER A 13 4.201 10.991 25.857 1.00 0.00 H new ATOM 182 N GLU A 14 0.723 11.815 22.325 1.00 0.00 N ATOM 183 CA GLU A 14 -0.029 12.581 21.329 1.00 0.00 C ATOM 184 C GLU A 14 0.384 14.037 21.273 1.00 0.00 C ATOM 185 O GLU A 14 -0.295 14.857 20.659 1.00 0.00 O ATOM 186 CB GLU A 14 -1.534 12.473 21.546 1.00 0.00 C ATOM 187 CG GLU A 14 -2.188 11.550 20.551 1.00 0.00 C ATOM 188 CD GLU A 14 -3.691 11.503 20.691 1.00 0.00 C ATOM 189 OE1 GLU A 14 -4.190 10.691 21.497 1.00 0.00 O ATOM 190 OE2 GLU A 14 -4.380 12.281 19.999 1.00 0.00 O ATOM 0 H GLU A 14 1.464 11.239 21.925 1.00 0.00 H new ATOM 0 HA GLU A 14 0.217 12.131 20.367 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.729 12.112 22.556 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.982 13.464 21.469 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.932 11.872 19.542 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.785 10.545 20.676 1.00 0.00 H new ATOM 197 N TYR A 15 1.505 14.363 21.887 1.00 0.00 N ATOM 198 CA TYR A 15 2.081 15.685 21.724 1.00 0.00 C ATOM 199 C TYR A 15 2.855 15.731 20.416 1.00 0.00 C ATOM 200 O TYR A 15 3.990 16.193 20.354 1.00 0.00 O ATOM 201 CB TYR A 15 2.995 16.039 22.901 1.00 0.00 C ATOM 202 CG TYR A 15 2.298 16.040 24.245 1.00 0.00 C ATOM 203 CD1 TYR A 15 1.676 17.182 24.733 1.00 0.00 C ATOM 204 CD2 TYR A 15 2.269 14.896 25.027 1.00 0.00 C ATOM 205 CE1 TYR A 15 1.044 17.180 25.964 1.00 0.00 C ATOM 206 CE2 TYR A 15 1.642 14.886 26.255 1.00 0.00 C ATOM 207 CZ TYR A 15 1.031 16.026 26.721 1.00 0.00 C ATOM 208 OH TYR A 15 0.409 16.012 27.951 1.00 0.00 O ATOM 0 H TYR A 15 2.031 13.738 22.498 1.00 0.00 H new ATOM 0 HA TYR A 15 1.278 16.421 21.701 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.821 15.328 22.932 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.428 17.024 22.727 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.686 18.086 24.142 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.746 13.996 24.668 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.564 18.076 26.330 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.631 13.984 26.850 1.00 0.00 H new ATOM 0 HH TYR A 15 0.492 15.121 28.350 1.00 0.00 H new ATOM 218 N THR A 16 2.212 15.242 19.375 1.00 0.00 N ATOM 219 CA THR A 16 2.812 15.137 18.068 1.00 0.00 C ATOM 220 C THR A 16 2.365 16.308 17.193 1.00 0.00 C ATOM 221 O THR A 16 1.239 16.793 17.325 1.00 0.00 O ATOM 222 CB THR A 16 2.396 13.811 17.406 1.00 0.00 C ATOM 223 OG1 THR A 16 2.439 12.741 18.363 1.00 0.00 O ATOM 224 CG2 THR A 16 3.312 13.473 16.246 1.00 0.00 C ATOM 0 H THR A 16 1.250 14.905 19.417 1.00 0.00 H new ATOM 0 HA THR A 16 3.897 15.162 18.174 1.00 0.00 H new ATOM 0 HB THR A 16 1.379 13.931 17.033 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.489 11.883 17.892 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.997 12.532 15.796 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.263 14.267 15.500 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.336 13.377 16.607 1.00 0.00 H new ATOM 232 N TYR A 17 3.238 16.755 16.304 1.00 0.00 N ATOM 233 CA TYR A 17 2.922 17.864 15.418 1.00 0.00 C ATOM 234 C TYR A 17 3.641 17.679 14.093 1.00 0.00 C ATOM 235 O TYR A 17 4.437 16.755 13.940 1.00 0.00 O ATOM 236 CB TYR A 17 3.296 19.213 16.052 1.00 0.00 C ATOM 237 CG TYR A 17 4.785 19.475 16.181 1.00 0.00 C ATOM 238 CD1 TYR A 17 5.514 19.028 17.282 1.00 0.00 C ATOM 239 CD2 TYR A 17 5.459 20.196 15.204 1.00 0.00 C ATOM 240 CE1 TYR A 17 6.864 19.294 17.395 1.00 0.00 C ATOM 241 CE2 TYR A 17 6.807 20.459 15.311 1.00 0.00 C ATOM 242 CZ TYR A 17 7.504 20.009 16.408 1.00 0.00 C ATOM 243 OH TYR A 17 8.848 20.274 16.516 1.00 0.00 O ATOM 0 H TYR A 17 4.172 16.366 16.177 1.00 0.00 H new ATOM 0 HA TYR A 17 1.846 17.872 15.246 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.853 20.011 15.457 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.846 19.268 17.043 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.016 18.466 18.058 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.916 20.558 14.343 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.416 18.943 18.254 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.314 21.016 14.537 1.00 0.00 H new ATOM 0 HH TYR A 17 9.144 20.787 15.735 1.00 0.00 H new ATOM 253 N GLU A 18 3.358 18.541 13.136 1.00 0.00 N ATOM 254 CA GLU A 18 3.983 18.465 11.832 1.00 0.00 C ATOM 255 C GLU A 18 5.117 19.482 11.720 1.00 0.00 C ATOM 256 O GLU A 18 4.891 20.693 11.795 1.00 0.00 O ATOM 257 CB GLU A 18 2.946 18.699 10.722 1.00 0.00 C ATOM 258 CG GLU A 18 2.134 19.987 10.871 1.00 0.00 C ATOM 259 CD GLU A 18 0.950 19.858 11.814 1.00 0.00 C ATOM 260 OE1 GLU A 18 1.137 20.006 13.039 1.00 0.00 O ATOM 261 OE2 GLU A 18 -0.181 19.631 11.329 1.00 0.00 O ATOM 0 H GLU A 18 2.693 19.308 13.240 1.00 0.00 H new ATOM 0 HA GLU A 18 4.401 17.465 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.460 18.718 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.260 17.853 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.790 20.779 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.773 20.294 9.889 1.00 0.00 H new ATOM 268 N ASP A 19 6.342 18.996 11.561 1.00 0.00 N ATOM 269 CA ASP A 19 7.500 19.866 11.376 1.00 0.00 C ATOM 270 C ASP A 19 7.813 19.996 9.886 1.00 0.00 C ATOM 271 O ASP A 19 8.951 20.216 9.475 1.00 0.00 O ATOM 272 CB ASP A 19 8.699 19.284 12.143 1.00 0.00 C ATOM 273 CG ASP A 19 9.928 20.176 12.129 1.00 0.00 C ATOM 274 OD1 ASP A 19 9.905 21.241 12.780 1.00 0.00 O ATOM 275 OD2 ASP A 19 10.926 19.816 11.469 1.00 0.00 O ATOM 0 H ASP A 19 6.561 18.000 11.556 1.00 0.00 H new ATOM 0 HA ASP A 19 7.286 20.861 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.404 19.104 13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.959 18.317 11.713 1.00 0.00 H new ATOM 280 N GLY A 20 6.780 19.860 9.075 1.00 0.00 N ATOM 281 CA GLY A 20 6.943 19.986 7.644 1.00 0.00 C ATOM 282 C GLY A 20 6.286 18.854 6.883 1.00 0.00 C ATOM 283 O GLY A 20 5.072 18.849 6.699 1.00 0.00 O ATOM 0 H GLY A 20 5.827 19.664 9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.518 20.935 7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.006 20.012 7.404 1.00 0.00 H new ATOM 287 N ALA A 21 7.084 17.878 6.473 1.00 0.00 N ATOM 288 CA ALA A 21 6.604 16.799 5.617 1.00 0.00 C ATOM 289 C ALA A 21 6.480 15.490 6.383 1.00 0.00 C ATOM 290 O ALA A 21 6.390 14.414 5.788 1.00 0.00 O ATOM 291 CB ALA A 21 7.538 16.626 4.436 1.00 0.00 C ATOM 0 H ALA A 21 8.071 17.810 6.720 1.00 0.00 H new ATOM 0 HA ALA A 21 5.610 17.069 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.175 15.819 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.574 17.552 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.538 16.383 4.795 1.00 0.00 H new ATOM 297 N LEU A 22 6.457 15.585 7.699 1.00 0.00 N ATOM 298 CA LEU A 22 6.352 14.412 8.542 1.00 0.00 C ATOM 299 C LEU A 22 5.856 14.811 9.920 1.00 0.00 C ATOM 300 O LEU A 22 5.551 15.977 10.161 1.00 0.00 O ATOM 301 CB LEU A 22 7.702 13.698 8.664 1.00 0.00 C ATOM 302 CG LEU A 22 8.695 14.307 9.661 1.00 0.00 C ATOM 303 CD1 LEU A 22 9.888 13.393 9.816 1.00 0.00 C ATOM 304 CD2 LEU A 22 9.148 15.695 9.226 1.00 0.00 C ATOM 0 H LEU A 22 6.510 16.467 8.208 1.00 0.00 H new ATOM 0 HA LEU A 22 5.642 13.725 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.519 12.662 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.171 13.678 7.680 1.00 0.00 H new ATOM 0 HG LEU A 22 8.189 14.412 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.591 13.830 10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.557 12.422 10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.378 13.267 8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.851 16.094 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.634 15.631 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.283 16.355 9.156 1.00 0.00 H new ATOM 316 N LEU A 23 5.779 13.844 10.813 1.00 0.00 N ATOM 317 CA LEU A 23 5.378 14.099 12.182 1.00 0.00 C ATOM 318 C LEU A 23 6.582 13.919 13.093 1.00 0.00 C ATOM 319 O LEU A 23 7.332 12.955 12.946 1.00 0.00 O ATOM 320 CB LEU A 23 4.276 13.130 12.612 1.00 0.00 C ATOM 321 CG LEU A 23 3.312 12.685 11.510 1.00 0.00 C ATOM 322 CD1 LEU A 23 2.343 11.654 12.054 1.00 0.00 C ATOM 323 CD2 LEU A 23 2.553 13.868 10.934 1.00 0.00 C ATOM 0 H LEU A 23 5.991 12.867 10.612 1.00 0.00 H new ATOM 0 HA LEU A 23 4.996 15.117 12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.745 12.243 13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.697 13.598 13.408 1.00 0.00 H new ATOM 0 HG LEU A 23 3.897 12.238 10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.661 11.343 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.898 10.788 12.416 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.773 12.088 12.875 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.876 13.521 10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.978 14.351 11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.259 14.582 10.510 1.00 0.00 H new ATOM 335 N VAL A 24 6.783 14.837 14.021 1.00 0.00 N ATOM 336 CA VAL A 24 7.878 14.706 14.964 1.00 0.00 C ATOM 337 C VAL A 24 7.342 14.798 16.384 1.00 0.00 C ATOM 338 O VAL A 24 6.422 15.565 16.670 1.00 0.00 O ATOM 339 CB VAL A 24 9.005 15.754 14.742 1.00 0.00 C ATOM 340 CG1 VAL A 24 9.132 16.120 13.274 1.00 0.00 C ATOM 341 CG2 VAL A 24 8.807 16.998 15.590 1.00 0.00 C ATOM 0 H VAL A 24 6.210 15.672 14.141 1.00 0.00 H new ATOM 0 HA VAL A 24 8.331 13.729 14.797 1.00 0.00 H new ATOM 0 HB VAL A 24 9.937 15.288 15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.928 16.854 13.150 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.369 15.227 12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.191 16.542 12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.619 17.700 15.401 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.856 17.465 15.334 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.804 16.723 16.645 1.00 0.00 H new ATOM 351 N CYS A 25 7.887 13.981 17.254 1.00 0.00 N ATOM 352 CA CYS A 25 7.495 13.966 18.648 1.00 0.00 C ATOM 353 C CYS A 25 8.540 14.695 19.476 1.00 0.00 C ATOM 354 O CYS A 25 9.638 14.179 19.692 1.00 0.00 O ATOM 355 CB CYS A 25 7.354 12.516 19.106 1.00 0.00 C ATOM 356 SG CYS A 25 6.894 12.252 20.855 1.00 0.00 S ATOM 0 H CYS A 25 8.615 13.307 17.018 1.00 0.00 H new ATOM 0 HA CYS A 25 6.539 14.473 18.778 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.604 12.032 18.480 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.300 12.007 18.922 1.00 0.00 H new ATOM 0 HG CYS A 25 5.771 11.600 20.915 1.00 0.00 H new ATOM 361 N PRO A 26 8.216 15.913 19.936 1.00 0.00 N ATOM 362 CA PRO A 26 9.135 16.727 20.733 1.00 0.00 C ATOM 363 C PRO A 26 9.429 16.076 22.077 1.00 0.00 C ATOM 364 O PRO A 26 10.373 16.445 22.776 1.00 0.00 O ATOM 365 CB PRO A 26 8.381 18.046 20.928 1.00 0.00 C ATOM 366 CG PRO A 26 6.947 17.705 20.725 1.00 0.00 C ATOM 367 CD PRO A 26 6.926 16.587 19.723 1.00 0.00 C ATOM 0 HA PRO A 26 10.102 16.855 20.247 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.552 18.455 21.924 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.712 18.799 20.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.482 17.398 21.662 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.389 18.567 20.360 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.087 15.912 19.892 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.832 16.963 18.704 1.00 0.00 H new ATOM 375 N GLU A 27 8.610 15.093 22.425 1.00 0.00 N ATOM 376 CA GLU A 27 8.726 14.416 23.697 1.00 0.00 C ATOM 377 C GLU A 27 9.929 13.477 23.706 1.00 0.00 C ATOM 378 O GLU A 27 10.830 13.642 24.527 1.00 0.00 O ATOM 379 CB GLU A 27 7.434 13.663 24.017 1.00 0.00 C ATOM 380 CG GLU A 27 7.364 13.157 25.447 1.00 0.00 C ATOM 381 CD GLU A 27 5.985 12.658 25.823 1.00 0.00 C ATOM 382 OE1 GLU A 27 5.147 13.478 26.250 1.00 0.00 O ATOM 383 OE2 GLU A 27 5.734 11.444 25.701 1.00 0.00 O ATOM 0 H GLU A 27 7.853 14.749 21.834 1.00 0.00 H new ATOM 0 HA GLU A 27 8.886 15.163 24.474 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.585 14.320 23.831 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.338 12.817 23.336 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.086 12.351 25.579 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.654 13.959 26.126 1.00 0.00 H new ATOM 390 N CYS A 28 9.970 12.500 22.801 1.00 0.00 N ATOM 391 CA CYS A 28 11.086 11.557 22.785 1.00 0.00 C ATOM 392 C CYS A 28 12.140 11.904 21.736 1.00 0.00 C ATOM 393 O CYS A 28 13.041 11.099 21.495 1.00 0.00 O ATOM 394 CB CYS A 28 10.591 10.123 22.553 1.00 0.00 C ATOM 395 SG CYS A 28 9.748 9.854 20.955 1.00 0.00 S ATOM 0 H CYS A 28 9.261 12.342 22.085 1.00 0.00 H new ATOM 0 HA CYS A 28 11.556 11.630 23.766 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.442 9.445 22.618 1.00 0.00 H new ATOM 0 HB3 CYS A 28 9.907 9.855 23.358 1.00 0.00 H new ATOM 0 HG CYS A 28 8.735 10.663 20.857 1.00 0.00 H new ATOM 400 N ALA A 29 12.056 13.090 21.115 1.00 0.00 N ATOM 401 CA ALA A 29 13.073 13.535 20.156 1.00 0.00 C ATOM 402 C ALA A 29 13.216 12.589 18.966 1.00 0.00 C ATOM 403 O ALA A 29 14.322 12.348 18.484 1.00 0.00 O ATOM 404 CB ALA A 29 14.412 13.721 20.857 1.00 0.00 C ATOM 0 H ALA A 29 11.296 13.755 21.260 1.00 0.00 H new ATOM 0 HA ALA A 29 12.739 14.492 19.756 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.158 14.051 20.134 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.311 14.470 21.642 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.727 12.775 21.297 1.00 0.00 H new ATOM 410 N HIS A 30 12.099 12.078 18.471 1.00 0.00 N ATOM 411 CA HIS A 30 12.131 11.188 17.318 1.00 0.00 C ATOM 412 C HIS A 30 10.980 11.499 16.369 1.00 0.00 C ATOM 413 O HIS A 30 9.820 11.549 16.780 1.00 0.00 O ATOM 414 CB HIS A 30 12.072 9.724 17.769 1.00 0.00 C ATOM 415 CG HIS A 30 12.402 8.741 16.683 1.00 0.00 C ATOM 416 ND1 HIS A 30 13.666 8.225 16.496 1.00 0.00 N ATOM 417 CD2 HIS A 30 11.627 8.179 15.726 1.00 0.00 C ATOM 418 CE1 HIS A 30 13.655 7.395 15.472 1.00 0.00 C ATOM 419 NE2 HIS A 30 12.431 7.348 14.990 1.00 0.00 N ATOM 0 H HIS A 30 11.168 12.261 18.844 1.00 0.00 H new ATOM 0 HA HIS A 30 13.069 11.349 16.786 1.00 0.00 H new ATOM 0 HB2 HIS A 30 12.765 9.581 18.598 1.00 0.00 H new ATOM 0 HB3 HIS A 30 11.073 9.510 18.148 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.572 8.353 15.571 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.505 6.847 15.093 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.129 6.784 14.196 1.00 0.00 H new ATOM 428 N GLU A 31 11.311 11.722 15.106 1.00 0.00 N ATOM 429 CA GLU A 31 10.311 11.984 14.080 1.00 0.00 C ATOM 430 C GLU A 31 10.040 10.731 13.257 1.00 0.00 C ATOM 431 O GLU A 31 10.812 9.775 13.306 1.00 0.00 O ATOM 432 CB GLU A 31 10.752 13.142 13.177 1.00 0.00 C ATOM 433 CG GLU A 31 12.255 13.232 12.927 1.00 0.00 C ATOM 434 CD GLU A 31 12.833 12.016 12.234 1.00 0.00 C ATOM 435 OE1 GLU A 31 12.719 11.912 10.995 1.00 0.00 O ATOM 436 OE2 GLU A 31 13.427 11.167 12.928 1.00 0.00 O ATOM 0 H GLU A 31 12.272 11.727 14.765 1.00 0.00 H new ATOM 0 HA GLU A 31 9.383 12.272 14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.245 13.047 12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.417 14.078 13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.461 14.115 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.765 13.372 13.880 1.00 0.00 H new ATOM 443 N TRP A 32 8.946 10.729 12.506 1.00 0.00 N ATOM 444 CA TRP A 32 8.573 9.562 11.721 1.00 0.00 C ATOM 445 C TRP A 32 7.536 9.922 10.666 1.00 0.00 C ATOM 446 O TRP A 32 6.895 10.969 10.736 1.00 0.00 O ATOM 447 CB TRP A 32 8.026 8.450 12.631 1.00 0.00 C ATOM 448 CG TRP A 32 6.566 8.589 12.974 1.00 0.00 C ATOM 449 CD1 TRP A 32 5.924 9.712 13.408 1.00 0.00 C ATOM 450 CD2 TRP A 32 5.573 7.558 12.915 1.00 0.00 C ATOM 451 NE1 TRP A 32 4.590 9.447 13.608 1.00 0.00 N ATOM 452 CE2 TRP A 32 4.351 8.131 13.318 1.00 0.00 C ATOM 453 CE3 TRP A 32 5.597 6.208 12.556 1.00 0.00 C ATOM 454 CZ2 TRP A 32 3.168 7.399 13.373 1.00 0.00 C ATOM 455 CZ3 TRP A 32 4.422 5.482 12.612 1.00 0.00 C ATOM 456 CH2 TRP A 32 3.221 6.079 13.017 1.00 0.00 C ATOM 0 H TRP A 32 8.305 11.518 12.425 1.00 0.00 H new ATOM 0 HA TRP A 32 9.469 9.200 11.217 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.182 7.488 12.143 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.604 8.436 13.555 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.395 10.670 13.571 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.892 10.121 13.922 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.518 5.740 12.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.241 7.857 13.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 4.430 4.437 12.339 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.319 5.486 13.049 1.00 0.00 H new ATOM 467 N SER A 33 7.399 9.061 9.681 1.00 0.00 N ATOM 468 CA SER A 33 6.333 9.180 8.707 1.00 0.00 C ATOM 469 C SER A 33 5.273 8.129 9.016 1.00 0.00 C ATOM 470 O SER A 33 5.577 6.939 9.061 1.00 0.00 O ATOM 471 CB SER A 33 6.873 9.002 7.287 1.00 0.00 C ATOM 472 OG SER A 33 5.835 9.109 6.325 1.00 0.00 O ATOM 0 H SER A 33 8.018 8.264 9.532 1.00 0.00 H new ATOM 0 HA SER A 33 5.892 10.175 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.635 9.755 7.088 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.356 8.029 7.198 1.00 0.00 H new ATOM 0 HG SER A 33 6.209 8.993 5.426 1.00 0.00 H new ATOM 478 N PRO A 34 4.019 8.555 9.227 1.00 0.00 N ATOM 479 CA PRO A 34 2.948 7.676 9.715 1.00 0.00 C ATOM 480 C PRO A 34 2.725 6.456 8.829 1.00 0.00 C ATOM 481 O PRO A 34 2.440 5.363 9.319 1.00 0.00 O ATOM 482 CB PRO A 34 1.704 8.574 9.710 1.00 0.00 C ATOM 483 CG PRO A 34 2.057 9.733 8.840 1.00 0.00 C ATOM 484 CD PRO A 34 3.537 9.923 8.992 1.00 0.00 C ATOM 0 HA PRO A 34 3.192 7.266 10.695 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.836 8.041 9.322 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.452 8.902 10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.793 9.537 7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.515 10.629 9.143 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.982 10.361 8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.776 10.585 9.824 1.00 0.00 H new ATOM 629 N VAL A 46 -3.234 2.727 -6.574 1.00 0.00 N ATOM 630 CA VAL A 46 -3.025 2.002 -7.823 1.00 0.00 C ATOM 631 C VAL A 46 -2.334 0.669 -7.541 1.00 0.00 C ATOM 632 O VAL A 46 -1.626 0.534 -6.543 1.00 0.00 O ATOM 633 CB VAL A 46 -2.175 2.822 -8.821 1.00 0.00 C ATOM 634 CG1 VAL A 46 -2.254 2.220 -10.211 1.00 0.00 C ATOM 635 CG2 VAL A 46 -2.612 4.279 -8.849 1.00 0.00 C ATOM 0 HA VAL A 46 -4.002 1.826 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.139 2.786 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.649 2.811 -10.899 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.879 1.197 -10.186 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.290 2.219 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.996 4.830 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.657 4.340 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.496 4.713 -7.856 1.00 0.00 H new ATOM 645 N ILE A 47 -2.536 -0.312 -8.414 1.00 0.00 N ATOM 646 CA ILE A 47 -1.979 -1.641 -8.202 1.00 0.00 C ATOM 647 C ILE A 47 -0.611 -1.726 -8.875 1.00 0.00 C ATOM 648 O ILE A 47 -0.435 -1.249 -9.997 1.00 0.00 O ATOM 649 CB ILE A 47 -2.923 -2.743 -8.752 1.00 0.00 C ATOM 650 CG1 ILE A 47 -4.385 -2.300 -8.635 1.00 0.00 C ATOM 651 CG2 ILE A 47 -2.716 -4.062 -8.001 1.00 0.00 C ATOM 652 CD1 ILE A 47 -4.857 -2.110 -7.210 1.00 0.00 C ATOM 0 H ILE A 47 -3.079 -0.212 -9.271 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.871 -1.808 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.682 -2.901 -9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.515 -1.364 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.019 -3.041 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.388 -4.819 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.684 -4.392 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.928 -3.915 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.901 -1.797 -7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.761 -3.050 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.249 -1.346 -6.724 1.00 0.00 H new ATOM 664 N LYS A 48 0.359 -2.293 -8.169 1.00 0.00 N ATOM 665 CA LYS A 48 1.738 -2.327 -8.632 1.00 0.00 C ATOM 666 C LYS A 48 2.244 -3.767 -8.757 1.00 0.00 C ATOM 667 O LYS A 48 1.750 -4.659 -8.074 1.00 0.00 O ATOM 668 CB LYS A 48 2.593 -1.540 -7.642 1.00 0.00 C ATOM 669 CG LYS A 48 3.712 -0.764 -8.295 1.00 0.00 C ATOM 670 CD LYS A 48 4.127 0.430 -7.455 1.00 0.00 C ATOM 671 CE LYS A 48 2.981 1.425 -7.311 1.00 0.00 C ATOM 672 NZ LYS A 48 3.424 2.687 -6.654 1.00 0.00 N ATOM 0 H LYS A 48 0.212 -2.740 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 48 1.802 -1.878 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.954 -0.848 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.018 -2.230 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.570 -1.419 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.393 -0.424 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.445 0.092 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.984 0.922 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.571 1.652 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.179 0.974 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.617 3.338 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.792 2.474 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.172 3.131 -7.224 1.00 0.00 H new ATOM 686 N ASP A 49 3.239 -3.978 -9.616 1.00 0.00 N ATOM 687 CA ASP A 49 3.739 -5.321 -9.913 1.00 0.00 C ATOM 688 C ASP A 49 4.913 -5.688 -9.018 1.00 0.00 C ATOM 689 O ASP A 49 5.408 -4.868 -8.243 1.00 0.00 O ATOM 690 CB ASP A 49 4.231 -5.422 -11.359 1.00 0.00 C ATOM 691 CG ASP A 49 3.232 -4.962 -12.391 1.00 0.00 C ATOM 692 OD1 ASP A 49 2.390 -5.769 -12.812 1.00 0.00 O ATOM 693 OD2 ASP A 49 3.345 -3.804 -12.832 1.00 0.00 O ATOM 0 H ASP A 49 3.718 -3.233 -10.122 1.00 0.00 H new ATOM 0 HA ASP A 49 2.903 -6.000 -9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.141 -4.830 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.499 -6.458 -11.567 1.00 0.00 H new ATOM 698 N SER A 50 5.384 -6.920 -9.180 1.00 0.00 N ATOM 699 CA SER A 50 6.581 -7.385 -8.487 1.00 0.00 C ATOM 700 C SER A 50 7.827 -6.856 -9.201 1.00 0.00 C ATOM 701 O SER A 50 8.956 -6.981 -8.723 1.00 0.00 O ATOM 702 CB SER A 50 6.594 -8.914 -8.434 1.00 0.00 C ATOM 703 OG SER A 50 7.605 -9.404 -7.570 1.00 0.00 O ATOM 0 H SER A 50 4.953 -7.617 -9.787 1.00 0.00 H new ATOM 0 HA SER A 50 6.578 -7.007 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.622 -9.274 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.750 -9.311 -9.437 1.00 0.00 H new ATOM 0 HG SER A 50 8.408 -8.849 -7.658 1.00 0.00 H new ATOM 709 N VAL A 51 7.581 -6.243 -10.344 1.00 0.00 N ATOM 710 CA VAL A 51 8.634 -5.664 -11.163 1.00 0.00 C ATOM 711 C VAL A 51 8.839 -4.216 -10.767 1.00 0.00 C ATOM 712 O VAL A 51 9.846 -3.588 -11.091 1.00 0.00 O ATOM 713 CB VAL A 51 8.270 -5.729 -12.647 1.00 0.00 C ATOM 714 CG1 VAL A 51 9.496 -5.552 -13.519 1.00 0.00 C ATOM 715 CG2 VAL A 51 7.557 -7.024 -12.955 1.00 0.00 C ATOM 0 H VAL A 51 6.645 -6.131 -10.733 1.00 0.00 H new ATOM 0 HA VAL A 51 9.549 -6.234 -11.002 1.00 0.00 H new ATOM 0 HB VAL A 51 7.592 -4.906 -12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.206 -5.603 -14.569 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.951 -4.583 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.214 -6.343 -13.302 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.304 -7.057 -14.015 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.207 -7.864 -12.711 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.645 -7.087 -12.362 1.00 0.00 H new ATOM 725 N GLY A 52 7.863 -3.709 -10.044 1.00 0.00 N ATOM 726 CA GLY A 52 7.899 -2.340 -9.584 1.00 0.00 C ATOM 727 C GLY A 52 7.118 -1.407 -10.479 1.00 0.00 C ATOM 728 O GLY A 52 7.061 -0.205 -10.225 1.00 0.00 O ATOM 0 H GLY A 52 7.032 -4.229 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.496 -2.290 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.935 -2.005 -9.532 1.00 0.00 H new ATOM 732 N ASN A 53 6.513 -1.947 -11.532 1.00 0.00 N ATOM 733 CA ASN A 53 5.720 -1.118 -12.426 1.00 0.00 C ATOM 734 C ASN A 53 4.325 -0.931 -11.885 1.00 0.00 C ATOM 735 O ASN A 53 3.861 -1.667 -11.020 1.00 0.00 O ATOM 736 CB ASN A 53 5.606 -1.681 -13.843 1.00 0.00 C ATOM 737 CG ASN A 53 6.394 -2.938 -14.054 1.00 0.00 C ATOM 738 OD1 ASN A 53 7.545 -2.919 -14.486 1.00 0.00 O ATOM 739 ND2 ASN A 53 5.770 -4.040 -13.740 1.00 0.00 N ATOM 0 H ASN A 53 6.556 -2.935 -11.782 1.00 0.00 H new ATOM 0 HA ASN A 53 6.251 -0.167 -12.481 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.557 -1.878 -14.063 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.944 -0.926 -14.553 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.238 -4.940 -13.849 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.814 -4.002 -13.385 1.00 0.00 H new ATOM 746 N VAL A 54 3.687 0.065 -12.428 1.00 0.00 N ATOM 747 CA VAL A 54 2.337 0.434 -12.044 1.00 0.00 C ATOM 748 C VAL A 54 1.428 0.287 -13.245 1.00 0.00 C ATOM 749 O VAL A 54 1.747 0.789 -14.325 1.00 0.00 O ATOM 750 CB VAL A 54 2.273 1.879 -11.512 1.00 0.00 C ATOM 751 CG1 VAL A 54 1.004 2.089 -10.711 1.00 0.00 C ATOM 752 CG2 VAL A 54 3.497 2.203 -10.673 1.00 0.00 C ATOM 0 H VAL A 54 4.085 0.656 -13.158 1.00 0.00 H new ATOM 0 HA VAL A 54 2.012 -0.227 -11.240 1.00 0.00 H new ATOM 0 HB VAL A 54 2.262 2.558 -12.365 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.972 3.114 -10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.138 1.906 -11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.988 1.399 -9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.428 3.228 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.548 1.520 -9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.395 2.094 -11.282 1.00 0.00 H new ATOM 762 N LEU A 55 0.300 -0.384 -13.088 1.00 0.00 N ATOM 763 CA LEU A 55 -0.520 -0.718 -14.232 1.00 0.00 C ATOM 764 C LEU A 55 -1.590 0.337 -14.450 1.00 0.00 C ATOM 765 O LEU A 55 -1.771 1.246 -13.636 1.00 0.00 O ATOM 766 CB LEU A 55 -1.186 -2.091 -14.047 1.00 0.00 C ATOM 767 CG LEU A 55 -0.243 -3.266 -13.759 1.00 0.00 C ATOM 768 CD1 LEU A 55 0.982 -3.204 -14.638 1.00 0.00 C ATOM 769 CD2 LEU A 55 0.138 -3.321 -12.289 1.00 0.00 C ATOM 0 H LEU A 55 -0.063 -0.704 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 55 0.130 -0.755 -15.106 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.902 -2.017 -13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.755 -2.321 -14.948 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.778 -4.186 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.634 -4.048 -14.414 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.681 -3.246 -15.685 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.517 -2.273 -14.451 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.807 -4.165 -12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.642 -2.396 -12.009 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.761 -3.442 -11.684 1.00 0.00 H new ATOM 781 N GLN A 56 -2.298 0.196 -15.549 1.00 0.00 N ATOM 782 CA GLN A 56 -3.387 1.089 -15.884 1.00 0.00 C ATOM 783 C GLN A 56 -4.633 0.260 -16.148 1.00 0.00 C ATOM 784 O GLN A 56 -4.529 -0.892 -16.574 1.00 0.00 O ATOM 785 CB GLN A 56 -3.031 1.908 -17.124 1.00 0.00 C ATOM 786 CG GLN A 56 -4.020 3.018 -17.426 1.00 0.00 C ATOM 787 CD GLN A 56 -3.921 3.507 -18.851 1.00 0.00 C ATOM 788 OE1 GLN A 56 -3.150 4.412 -19.159 1.00 0.00 O ATOM 789 NE2 GLN A 56 -4.718 2.919 -19.724 1.00 0.00 N ATOM 0 H GLN A 56 -2.136 -0.540 -16.236 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.568 1.776 -15.057 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.040 2.343 -16.990 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.973 1.241 -17.984 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.032 2.660 -17.237 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.845 3.852 -16.746 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.342 2.171 -19.422 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.710 3.213 -20.701 1.00 0.00 H new ATOM 798 N ASP A 57 -5.803 0.818 -15.889 1.00 0.00 N ATOM 799 CA ASP A 57 -7.050 0.125 -16.162 1.00 0.00 C ATOM 800 C ASP A 57 -7.235 -0.036 -17.665 1.00 0.00 C ATOM 801 O ASP A 57 -7.620 0.904 -18.362 1.00 0.00 O ATOM 802 CB ASP A 57 -8.224 0.900 -15.562 1.00 0.00 C ATOM 803 CG ASP A 57 -9.534 0.149 -15.662 1.00 0.00 C ATOM 804 OD1 ASP A 57 -10.239 0.296 -16.684 1.00 0.00 O ATOM 805 OD2 ASP A 57 -9.872 -0.585 -14.709 1.00 0.00 O ATOM 0 H ASP A 57 -5.915 1.750 -15.490 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.016 -0.864 -15.704 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.013 1.116 -14.515 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.320 1.858 -16.072 1.00 0.00 H new ATOM 810 N GLY A 58 -6.905 -1.216 -18.159 1.00 0.00 N ATOM 811 CA GLY A 58 -6.994 -1.483 -19.577 1.00 0.00 C ATOM 812 C GLY A 58 -5.655 -1.900 -20.145 1.00 0.00 C ATOM 813 O GLY A 58 -5.557 -2.307 -21.302 1.00 0.00 O ATOM 0 H GLY A 58 -6.574 -2.001 -17.598 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.727 -2.269 -19.755 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.349 -0.592 -20.095 1.00 0.00 H new ATOM 817 N ASP A 59 -4.624 -1.802 -19.314 1.00 0.00 N ATOM 818 CA ASP A 59 -3.267 -2.164 -19.709 1.00 0.00 C ATOM 819 C ASP A 59 -3.150 -3.669 -19.917 1.00 0.00 C ATOM 820 O ASP A 59 -4.040 -4.431 -19.529 1.00 0.00 O ATOM 821 CB ASP A 59 -2.275 -1.717 -18.631 1.00 0.00 C ATOM 822 CG ASP A 59 -0.829 -1.761 -19.089 1.00 0.00 C ATOM 823 OD1 ASP A 59 -0.582 -1.742 -20.316 1.00 0.00 O ATOM 824 OD2 ASP A 59 0.067 -1.784 -18.223 1.00 0.00 O ATOM 0 H ASP A 59 -4.703 -1.471 -18.352 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.036 -1.662 -20.649 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.520 -0.701 -18.321 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.391 -2.354 -17.754 1.00 0.00 H new ATOM 829 N THR A 60 -2.048 -4.091 -20.510 1.00 0.00 N ATOM 830 CA THR A 60 -1.778 -5.497 -20.721 1.00 0.00 C ATOM 831 C THR A 60 -0.696 -5.936 -19.744 1.00 0.00 C ATOM 832 O THR A 60 0.330 -5.265 -19.619 1.00 0.00 O ATOM 833 CB THR A 60 -1.316 -5.757 -22.172 1.00 0.00 C ATOM 834 OG1 THR A 60 -2.235 -5.149 -23.096 1.00 0.00 O ATOM 835 CG2 THR A 60 -1.227 -7.248 -22.462 1.00 0.00 C ATOM 0 H THR A 60 -1.318 -3.469 -20.857 1.00 0.00 H new ATOM 0 HA THR A 60 -2.691 -6.068 -20.553 1.00 0.00 H new ATOM 0 HB THR A 60 -0.325 -5.319 -22.292 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.819 -4.358 -23.498 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.899 -7.400 -23.491 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.511 -7.709 -21.781 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.207 -7.705 -22.322 1.00 0.00 H new ATOM 843 N ILE A 61 -0.916 -7.046 -19.052 1.00 0.00 N ATOM 844 CA ILE A 61 0.008 -7.486 -18.016 1.00 0.00 C ATOM 845 C ILE A 61 0.419 -8.934 -18.254 1.00 0.00 C ATOM 846 O ILE A 61 -0.147 -9.616 -19.108 1.00 0.00 O ATOM 847 CB ILE A 61 -0.590 -7.342 -16.592 1.00 0.00 C ATOM 848 CG1 ILE A 61 -1.709 -8.362 -16.337 1.00 0.00 C ATOM 849 CG2 ILE A 61 -1.103 -5.931 -16.363 1.00 0.00 C ATOM 850 CD1 ILE A 61 -1.245 -9.590 -15.581 1.00 0.00 C ATOM 0 H ILE A 61 -1.722 -7.656 -19.188 1.00 0.00 H new ATOM 0 HA ILE A 61 0.883 -6.839 -18.075 1.00 0.00 H new ATOM 0 HB ILE A 61 0.213 -7.545 -15.883 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.509 -7.880 -15.775 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.133 -8.672 -17.292 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.518 -5.853 -15.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.281 -5.223 -16.472 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.878 -5.703 -17.094 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.086 -10.267 -15.436 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.466 -10.096 -16.152 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.848 -9.292 -14.611 1.00 0.00 H new ATOM 862 N THR A 62 1.420 -9.390 -17.522 1.00 0.00 N ATOM 863 CA THR A 62 1.900 -10.756 -17.638 1.00 0.00 C ATOM 864 C THR A 62 2.487 -11.262 -16.314 1.00 0.00 C ATOM 865 O THR A 62 3.407 -10.663 -15.767 1.00 0.00 O ATOM 866 CB THR A 62 2.949 -10.837 -18.764 1.00 0.00 C ATOM 867 OG1 THR A 62 2.289 -10.852 -20.037 1.00 0.00 O ATOM 868 CG2 THR A 62 3.844 -12.058 -18.633 1.00 0.00 C ATOM 0 H THR A 62 1.921 -8.828 -16.834 1.00 0.00 H new ATOM 0 HA THR A 62 1.055 -11.399 -17.883 1.00 0.00 H new ATOM 0 HB THR A 62 3.587 -9.957 -18.682 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.390 -10.473 -19.944 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.566 -12.069 -19.450 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.374 -12.020 -17.681 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.235 -12.961 -18.674 1.00 0.00 H new ATOM 876 N VAL A 63 1.925 -12.353 -15.800 1.00 0.00 N ATOM 877 CA VAL A 63 2.410 -12.994 -14.583 1.00 0.00 C ATOM 878 C VAL A 63 3.850 -13.482 -14.789 1.00 0.00 C ATOM 879 O VAL A 63 4.169 -14.079 -15.820 1.00 0.00 O ATOM 880 CB VAL A 63 1.491 -14.187 -14.190 1.00 0.00 C ATOM 881 CG1 VAL A 63 1.923 -15.470 -14.855 1.00 0.00 C ATOM 882 CG2 VAL A 63 1.438 -14.372 -12.689 1.00 0.00 C ATOM 0 H VAL A 63 1.119 -12.818 -16.217 1.00 0.00 H new ATOM 0 HA VAL A 63 2.392 -12.265 -13.773 1.00 0.00 H new ATOM 0 HB VAL A 63 0.490 -13.942 -14.545 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.256 -16.278 -14.555 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.883 -15.350 -15.938 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.943 -15.710 -14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.788 -15.213 -12.449 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.441 -14.569 -12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.047 -13.467 -12.224 1.00 0.00 H new ATOM 892 N ILE A 64 4.736 -13.167 -13.860 1.00 0.00 N ATOM 893 CA ILE A 64 6.122 -13.607 -13.980 1.00 0.00 C ATOM 894 C ILE A 64 6.428 -14.890 -13.245 1.00 0.00 C ATOM 895 O ILE A 64 7.599 -15.259 -13.148 1.00 0.00 O ATOM 896 CB ILE A 64 7.142 -12.560 -13.484 1.00 0.00 C ATOM 897 CG1 ILE A 64 6.989 -12.261 -11.979 1.00 0.00 C ATOM 898 CG2 ILE A 64 7.013 -11.302 -14.295 1.00 0.00 C ATOM 899 CD1 ILE A 64 6.007 -11.165 -11.648 1.00 0.00 C ATOM 0 H ILE A 64 4.529 -12.617 -13.026 1.00 0.00 H new ATOM 0 HA ILE A 64 6.226 -13.764 -15.054 1.00 0.00 H new ATOM 0 HB ILE A 64 8.140 -12.977 -13.619 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.678 -13.174 -11.471 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.965 -11.989 -11.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.735 -10.566 -13.942 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.206 -11.524 -15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.005 -10.902 -14.188 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.967 -11.026 -10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.325 -10.236 -12.122 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.018 -11.439 -12.015 1.00 0.00 H new ATOM 911 N LYS A 65 5.443 -15.610 -12.743 1.00 0.00 N ATOM 912 CA LYS A 65 5.746 -16.797 -11.972 1.00 0.00 C ATOM 913 C LYS A 65 4.783 -17.903 -12.326 1.00 0.00 C ATOM 914 O LYS A 65 3.796 -17.691 -13.031 1.00 0.00 O ATOM 915 CB LYS A 65 5.663 -16.550 -10.470 1.00 0.00 C ATOM 916 CG LYS A 65 6.830 -15.784 -9.898 1.00 0.00 C ATOM 917 CD LYS A 65 8.163 -16.366 -10.336 1.00 0.00 C ATOM 918 CE LYS A 65 9.319 -15.716 -9.594 1.00 0.00 C ATOM 919 NZ LYS A 65 10.610 -16.403 -9.863 1.00 0.00 N ATOM 0 H LYS A 65 4.451 -15.400 -12.852 1.00 0.00 H new ATOM 0 HA LYS A 65 6.769 -17.079 -12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.745 -16.004 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.590 -17.510 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.769 -14.742 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.771 -15.793 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.170 -17.441 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.290 -16.223 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.397 -14.670 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.117 -15.731 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.372 -15.928 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.545 -17.395 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.817 -16.367 -10.882 1.00 0.00 H new ATOM 933 N ASP A 66 5.121 -19.086 -11.880 1.00 0.00 N ATOM 934 CA ASP A 66 4.241 -20.234 -12.053 1.00 0.00 C ATOM 935 C ASP A 66 3.259 -20.391 -10.887 1.00 0.00 C ATOM 936 O ASP A 66 3.634 -20.708 -9.757 1.00 0.00 O ATOM 937 CB ASP A 66 5.042 -21.526 -12.285 1.00 0.00 C ATOM 938 CG ASP A 66 5.897 -21.934 -11.104 1.00 0.00 C ATOM 939 OD1 ASP A 66 6.799 -21.163 -10.720 1.00 0.00 O ATOM 940 OD2 ASP A 66 5.677 -23.039 -10.560 1.00 0.00 O ATOM 0 H ASP A 66 5.995 -19.288 -11.394 1.00 0.00 H new ATOM 0 HA ASP A 66 3.647 -20.044 -12.947 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.350 -22.335 -12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.682 -21.394 -13.157 1.00 0.00 H new ATOM 945 N LEU A 67 1.996 -20.123 -11.189 1.00 0.00 N ATOM 946 CA LEU A 67 0.885 -20.345 -10.272 1.00 0.00 C ATOM 947 C LEU A 67 -0.132 -21.254 -10.956 1.00 0.00 C ATOM 948 O LEU A 67 -0.396 -21.106 -12.137 1.00 0.00 O ATOM 949 CB LEU A 67 0.183 -19.025 -9.889 1.00 0.00 C ATOM 950 CG LEU A 67 1.037 -17.945 -9.209 1.00 0.00 C ATOM 951 CD1 LEU A 67 1.871 -17.184 -10.228 1.00 0.00 C ATOM 952 CD2 LEU A 67 0.149 -16.984 -8.425 1.00 0.00 C ATOM 0 H LEU A 67 1.710 -19.740 -12.090 1.00 0.00 H new ATOM 0 HA LEU A 67 1.279 -20.797 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.245 -18.596 -10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.648 -19.265 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 67 1.719 -18.439 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.465 -16.426 -9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.534 -17.877 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.212 -16.703 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.768 -16.224 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.556 -16.505 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.400 -17.536 -7.662 1.00 0.00 H new ATOM 964 N LYS A 68 -0.687 -22.201 -10.241 1.00 0.00 N ATOM 965 CA LYS A 68 -1.725 -23.045 -10.817 1.00 0.00 C ATOM 966 C LYS A 68 -3.104 -22.509 -10.452 1.00 0.00 C ATOM 967 O LYS A 68 -3.217 -21.523 -9.716 1.00 0.00 O ATOM 968 CB LYS A 68 -1.572 -24.497 -10.377 1.00 0.00 C ATOM 969 CG LYS A 68 -1.729 -24.725 -8.884 1.00 0.00 C ATOM 970 CD LYS A 68 -1.822 -26.208 -8.574 1.00 0.00 C ATOM 971 CE LYS A 68 -0.637 -26.972 -9.147 1.00 0.00 C ATOM 972 NZ LYS A 68 -0.763 -28.438 -8.939 1.00 0.00 N ATOM 0 H LYS A 68 -0.448 -22.412 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.617 -23.020 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.310 -25.102 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.589 -24.854 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.882 -24.290 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.624 -24.217 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.863 -26.353 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.748 -26.609 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.554 -26.764 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.282 -26.618 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.065 -28.919 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.817 -28.641 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.626 -28.782 -9.406 1.00 0.00 H new ATOM 986 N VAL A 69 -4.157 -23.150 -10.947 1.00 0.00 N ATOM 987 CA VAL A 69 -5.514 -22.706 -10.677 1.00 0.00 C ATOM 988 C VAL A 69 -6.287 -23.920 -10.175 1.00 0.00 C ATOM 989 O VAL A 69 -6.369 -24.928 -10.871 1.00 0.00 O ATOM 990 CB VAL A 69 -6.215 -22.120 -11.928 1.00 0.00 C ATOM 991 CG1 VAL A 69 -7.578 -21.556 -11.559 1.00 0.00 C ATOM 992 CG2 VAL A 69 -5.355 -21.047 -12.579 1.00 0.00 C ATOM 0 H VAL A 69 -4.094 -23.979 -11.538 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.485 -21.903 -9.940 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.355 -22.927 -12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.056 -21.148 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.200 -22.349 -11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.456 -20.765 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.869 -20.651 -13.455 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.178 -20.241 -11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.401 -21.479 -12.882 1.00 0.00 H new ATOM 1002 N LYS A 70 -6.830 -23.839 -8.972 1.00 0.00 N ATOM 1003 CA LYS A 70 -7.359 -25.031 -8.317 1.00 0.00 C ATOM 1004 C LYS A 70 -8.791 -25.348 -8.734 1.00 0.00 C ATOM 1005 O LYS A 70 -9.174 -26.514 -8.797 1.00 0.00 O ATOM 1006 CB LYS A 70 -7.236 -24.928 -6.790 1.00 0.00 C ATOM 1007 CG LYS A 70 -7.918 -23.725 -6.139 1.00 0.00 C ATOM 1008 CD LYS A 70 -9.412 -23.946 -5.929 1.00 0.00 C ATOM 1009 CE LYS A 70 -9.698 -25.139 -5.026 1.00 0.00 C ATOM 1010 NZ LYS A 70 -9.225 -24.917 -3.633 1.00 0.00 N ATOM 0 H LYS A 70 -6.917 -22.977 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.745 -25.867 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.650 -25.836 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.177 -24.903 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.446 -23.519 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.768 -22.844 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.852 -23.049 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.894 -24.100 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.770 -25.336 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.214 -26.026 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.516 -25.717 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.188 -24.839 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.640 -24.039 -3.261 1.00 0.00 H new ATOM 1024 N GLY A 71 -9.580 -24.326 -9.017 1.00 0.00 N ATOM 1025 CA GLY A 71 -10.955 -24.563 -9.411 1.00 0.00 C ATOM 1026 C GLY A 71 -11.082 -24.808 -10.897 1.00 0.00 C ATOM 1027 O GLY A 71 -12.006 -25.477 -11.356 1.00 0.00 O ATOM 0 H GLY A 71 -9.300 -23.346 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.345 -25.423 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.566 -23.705 -9.131 1.00 0.00 H new ATOM 1031 N SER A 72 -10.148 -24.256 -11.645 1.00 0.00 N ATOM 1032 CA SER A 72 -10.195 -24.330 -13.099 1.00 0.00 C ATOM 1033 C SER A 72 -9.103 -25.227 -13.674 1.00 0.00 C ATOM 1034 O SER A 72 -8.134 -25.557 -12.996 1.00 0.00 O ATOM 1035 CB SER A 72 -10.071 -22.922 -13.678 1.00 0.00 C ATOM 1036 OG SER A 72 -11.219 -22.145 -13.382 1.00 0.00 O ATOM 0 H SER A 72 -9.344 -23.750 -11.273 1.00 0.00 H new ATOM 0 HA SER A 72 -11.151 -24.773 -13.378 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.184 -22.435 -13.272 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.936 -22.980 -14.758 1.00 0.00 H new ATOM 0 HG SER A 72 -11.114 -21.248 -13.762 1.00 0.00 H new ATOM 1042 N SER A 73 -9.276 -25.615 -14.935 1.00 0.00 N ATOM 1043 CA SER A 73 -8.253 -26.349 -15.672 1.00 0.00 C ATOM 1044 C SER A 73 -7.205 -25.379 -16.216 1.00 0.00 C ATOM 1045 O SER A 73 -6.331 -25.748 -17.003 1.00 0.00 O ATOM 1046 CB SER A 73 -8.896 -27.124 -16.821 1.00 0.00 C ATOM 1047 OG SER A 73 -9.968 -27.926 -16.353 1.00 0.00 O ATOM 0 H SER A 73 -10.124 -25.431 -15.471 1.00 0.00 H new ATOM 0 HA SER A 73 -7.766 -27.054 -14.998 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.260 -26.427 -17.576 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.149 -27.754 -17.303 1.00 0.00 H new ATOM 0 HG SER A 73 -10.366 -28.412 -17.105 1.00 0.00 H new ATOM 1053 N LEU A 74 -7.315 -24.134 -15.779 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.395 -23.084 -16.168 1.00 0.00 C ATOM 1055 C LEU A 74 -5.090 -23.225 -15.406 1.00 0.00 C ATOM 1056 O LEU A 74 -4.992 -24.018 -14.471 1.00 0.00 O ATOM 1057 CB LEU A 74 -7.018 -21.708 -15.918 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.006 -21.219 -16.988 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -7.324 -21.120 -18.344 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -9.223 -22.130 -17.073 1.00 0.00 C ATOM 0 H LEU A 74 -8.049 -23.825 -15.142 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.187 -23.177 -17.234 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.533 -21.732 -14.958 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.215 -20.976 -15.830 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.347 -20.226 -16.695 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.041 -20.772 -19.087 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.494 -20.416 -18.283 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.948 -22.101 -18.634 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.903 -21.758 -17.839 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.904 -23.140 -17.331 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.734 -22.145 -16.110 1.00 0.00 H new ATOM 1072 N VAL A 75 -4.110 -22.422 -15.784 1.00 0.00 N ATOM 1073 CA VAL A 75 -2.730 -22.605 -15.370 1.00 0.00 C ATOM 1074 C VAL A 75 -2.030 -21.267 -15.550 1.00 0.00 C ATOM 1075 O VAL A 75 -1.893 -20.785 -16.677 1.00 0.00 O ATOM 1076 CB VAL A 75 -1.977 -23.680 -16.182 1.00 0.00 C ATOM 1077 CG1 VAL A 75 -0.512 -23.721 -15.780 1.00 0.00 C ATOM 1078 CG2 VAL A 75 -2.596 -25.057 -15.999 1.00 0.00 C ATOM 0 H VAL A 75 -4.252 -21.616 -16.393 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.728 -22.949 -14.336 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.057 -23.407 -17.234 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.004 -24.484 -16.362 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.055 -22.750 -15.970 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.432 -23.958 -14.719 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.039 -25.787 -16.586 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.560 -25.335 -14.946 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.633 -25.037 -16.334 1.00 0.00 H new ATOM 1088 N VAL A 76 -1.616 -20.657 -14.467 1.00 0.00 N ATOM 1089 CA VAL A 76 -1.007 -19.340 -14.530 1.00 0.00 C ATOM 1090 C VAL A 76 0.510 -19.465 -14.682 1.00 0.00 C ATOM 1091 O VAL A 76 1.242 -19.649 -13.719 1.00 0.00 O ATOM 1092 CB VAL A 76 -1.368 -18.496 -13.285 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -0.651 -17.163 -13.305 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -2.873 -18.289 -13.199 1.00 0.00 C ATOM 0 H VAL A 76 -1.687 -21.047 -13.527 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.403 -18.823 -15.404 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.041 -19.043 -12.401 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.923 -16.590 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.426 -17.329 -13.313 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.939 -16.608 -14.198 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.109 -17.693 -12.317 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.220 -17.769 -14.092 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.370 -19.256 -13.126 1.00 0.00 H new ATOM 1104 N LYS A 77 0.971 -19.374 -15.911 1.00 0.00 N ATOM 1105 CA LYS A 77 2.380 -19.580 -16.209 1.00 0.00 C ATOM 1106 C LYS A 77 3.065 -18.260 -16.513 1.00 0.00 C ATOM 1107 O LYS A 77 2.429 -17.344 -17.025 1.00 0.00 O ATOM 1108 CB LYS A 77 2.552 -20.587 -17.361 1.00 0.00 C ATOM 1109 CG LYS A 77 1.697 -20.322 -18.601 1.00 0.00 C ATOM 1110 CD LYS A 77 2.216 -19.154 -19.422 1.00 0.00 C ATOM 1111 CE LYS A 77 1.573 -19.095 -20.799 1.00 0.00 C ATOM 1112 NZ LYS A 77 0.108 -18.842 -20.733 1.00 0.00 N ATOM 0 H LYS A 77 0.393 -19.159 -16.724 1.00 0.00 H new ATOM 0 HA LYS A 77 2.861 -20.004 -15.327 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.600 -20.596 -17.659 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.319 -21.584 -16.987 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.674 -21.218 -19.222 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.670 -20.120 -18.295 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.021 -18.222 -18.891 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.297 -19.239 -19.530 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.048 -18.308 -21.385 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.753 -20.035 -21.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.229 -18.511 -21.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.385 -19.722 -20.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.087 -18.116 -20.014 1.00 0.00 H new ATOM 1126 N VAL A 78 4.348 -18.163 -16.168 1.00 0.00 N ATOM 1127 CA VAL A 78 5.136 -16.958 -16.441 1.00 0.00 C ATOM 1128 C VAL A 78 5.032 -16.568 -17.925 1.00 0.00 C ATOM 1129 O VAL A 78 5.706 -17.124 -18.795 1.00 0.00 O ATOM 1130 CB VAL A 78 6.620 -17.150 -16.030 1.00 0.00 C ATOM 1131 CG1 VAL A 78 7.183 -18.455 -16.577 1.00 0.00 C ATOM 1132 CG2 VAL A 78 7.470 -15.969 -16.484 1.00 0.00 C ATOM 0 H VAL A 78 4.866 -18.905 -15.698 1.00 0.00 H new ATOM 0 HA VAL A 78 4.725 -16.147 -15.839 1.00 0.00 H new ATOM 0 HB VAL A 78 6.654 -17.199 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.224 -18.559 -16.271 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.605 -19.293 -16.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.124 -18.449 -17.665 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.505 -16.129 -16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.417 -15.878 -17.569 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.096 -15.054 -16.025 1.00 0.00 H new ATOM 1142 N GLY A 79 4.130 -15.640 -18.195 1.00 0.00 N ATOM 1143 CA GLY A 79 3.863 -15.206 -19.555 1.00 0.00 C ATOM 1144 C GLY A 79 2.364 -15.155 -19.828 1.00 0.00 C ATOM 1145 O GLY A 79 1.931 -14.917 -20.952 1.00 0.00 O ATOM 0 H GLY A 79 3.567 -15.170 -17.486 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.300 -14.221 -19.718 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.341 -15.887 -20.259 1.00 0.00 H new ATOM 1149 N THR A 80 1.585 -15.410 -18.776 1.00 0.00 N ATOM 1150 CA THR A 80 0.134 -15.327 -18.864 1.00 0.00 C ATOM 1151 C THR A 80 -0.288 -13.893 -19.174 1.00 0.00 C ATOM 1152 O THR A 80 -0.304 -13.022 -18.314 1.00 0.00 O ATOM 1153 CB THR A 80 -0.557 -15.813 -17.576 1.00 0.00 C ATOM 1154 OG1 THR A 80 -0.168 -17.166 -17.302 1.00 0.00 O ATOM 1155 CG2 THR A 80 -2.069 -15.738 -17.715 1.00 0.00 C ATOM 0 H THR A 80 1.938 -15.675 -17.856 1.00 0.00 H new ATOM 0 HA THR A 80 -0.182 -15.987 -19.672 1.00 0.00 H new ATOM 0 HB THR A 80 -0.250 -15.167 -16.753 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.800 -17.205 -17.156 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.537 -16.086 -16.794 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.366 -14.707 -17.906 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.390 -16.367 -18.545 1.00 0.00 H new ATOM 1163 N LYS A 81 -0.650 -13.679 -20.412 1.00 0.00 N ATOM 1164 CA LYS A 81 -0.944 -12.338 -20.879 1.00 0.00 C ATOM 1165 C LYS A 81 -2.407 -12.012 -20.746 1.00 0.00 C ATOM 1166 O LYS A 81 -3.256 -12.620 -21.400 1.00 0.00 O ATOM 1167 CB LYS A 81 -0.497 -12.142 -22.327 1.00 0.00 C ATOM 1168 CG LYS A 81 -0.714 -10.724 -22.830 1.00 0.00 C ATOM 1169 CD LYS A 81 -0.390 -10.580 -24.307 1.00 0.00 C ATOM 1170 CE LYS A 81 -1.357 -11.368 -25.176 1.00 0.00 C ATOM 1171 NZ LYS A 81 -1.137 -11.108 -26.624 1.00 0.00 N ATOM 0 H LYS A 81 -0.750 -14.409 -21.117 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.381 -11.653 -20.245 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.560 -12.394 -22.412 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.042 -12.836 -22.967 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.751 -10.435 -22.658 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.092 -10.038 -22.255 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.426 -9.527 -24.586 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.628 -10.924 -24.491 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.240 -12.433 -24.976 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.381 -11.105 -24.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.815 -11.663 -27.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.274 -10.096 -26.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.168 -11.383 -26.883 1.00 0.00 H new ATOM 1185 N VAL A 82 -2.704 -11.043 -19.900 1.00 0.00 N ATOM 1186 CA VAL A 82 -4.042 -10.519 -19.819 1.00 0.00 C ATOM 1187 C VAL A 82 -4.053 -9.047 -20.140 1.00 0.00 C ATOM 1188 O VAL A 82 -3.388 -8.237 -19.494 1.00 0.00 O ATOM 1189 CB VAL A 82 -4.715 -10.757 -18.463 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -5.233 -12.161 -18.380 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -3.795 -10.482 -17.315 1.00 0.00 C ATOM 0 H VAL A 82 -2.035 -10.609 -19.264 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.623 -11.069 -20.559 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.546 -10.056 -18.390 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.709 -12.317 -17.412 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.962 -12.327 -19.173 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.406 -12.861 -18.495 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.319 -10.665 -16.377 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.926 -11.137 -17.380 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.469 -9.443 -17.351 1.00 0.00 H new ATOM 1201 N LYS A 83 -4.789 -8.725 -21.169 1.00 0.00 N ATOM 1202 CA LYS A 83 -4.907 -7.356 -21.625 1.00 0.00 C ATOM 1203 C LYS A 83 -6.241 -6.772 -21.208 1.00 0.00 C ATOM 1204 O LYS A 83 -7.233 -7.497 -21.095 1.00 0.00 O ATOM 1205 CB LYS A 83 -4.753 -7.286 -23.143 1.00 0.00 C ATOM 1206 CG LYS A 83 -5.729 -8.170 -23.885 1.00 0.00 C ATOM 1207 CD LYS A 83 -5.520 -8.092 -25.382 1.00 0.00 C ATOM 1208 CE LYS A 83 -6.359 -9.127 -26.103 1.00 0.00 C ATOM 1209 NZ LYS A 83 -7.810 -8.982 -25.806 1.00 0.00 N ATOM 0 H LYS A 83 -5.325 -9.398 -21.717 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.111 -6.770 -21.165 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.889 -6.254 -23.468 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.737 -7.574 -23.412 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.612 -9.202 -23.553 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.749 -7.871 -23.643 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.781 -7.095 -25.738 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.466 -8.247 -25.614 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.199 -9.037 -27.177 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.029 -10.125 -25.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.357 -9.606 -26.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.989 -9.243 -24.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.099 -7.995 -25.962 1.00 0.00 H new ATOM 1223 N ASN A 84 -6.242 -5.466 -20.970 1.00 0.00 N ATOM 1224 CA ASN A 84 -7.450 -4.728 -20.625 1.00 0.00 C ATOM 1225 C ASN A 84 -7.919 -5.064 -19.220 1.00 0.00 C ATOM 1226 O ASN A 84 -9.117 -5.242 -18.995 1.00 0.00 O ATOM 1227 CB ASN A 84 -8.581 -5.000 -21.625 1.00 0.00 C ATOM 1228 CG ASN A 84 -8.447 -4.221 -22.915 1.00 0.00 C ATOM 1229 OD1 ASN A 84 -9.447 -3.878 -23.547 1.00 0.00 O ATOM 1230 ND2 ASN A 84 -7.224 -3.938 -23.321 1.00 0.00 N ATOM 0 H ASN A 84 -5.403 -4.888 -21.011 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.196 -3.669 -20.668 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.604 -6.065 -21.854 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.535 -4.753 -21.158 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.082 -3.417 -24.187 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.421 -4.240 -22.769 1.00 0.00 H new ATOM 1237 N ILE A 85 -6.991 -5.138 -18.264 1.00 0.00 N ATOM 1238 CA ILE A 85 -7.325 -5.422 -16.873 1.00 0.00 C ATOM 1239 C ILE A 85 -8.183 -4.331 -16.229 1.00 0.00 C ATOM 1240 O ILE A 85 -8.544 -3.328 -16.851 1.00 0.00 O ATOM 1241 CB ILE A 85 -6.030 -5.534 -16.040 1.00 0.00 C ATOM 1242 CG1 ILE A 85 -5.295 -4.187 -16.037 1.00 0.00 C ATOM 1243 CG2 ILE A 85 -5.134 -6.630 -16.596 1.00 0.00 C ATOM 1244 CD1 ILE A 85 -4.131 -4.122 -15.076 1.00 0.00 C ATOM 0 H ILE A 85 -5.994 -5.003 -18.433 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.891 -6.354 -16.880 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.290 -5.795 -15.014 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.933 -3.981 -17.044 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.004 -3.399 -15.786 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.225 -6.696 -15.997 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.661 -7.583 -16.561 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.872 -6.397 -17.628 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.665 -3.138 -15.134 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.487 -4.295 -14.061 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.399 -4.886 -15.339 1.00 0.00 H new ATOM 1256 N ARG A 86 -8.467 -4.549 -14.960 1.00 0.00 N ATOM 1257 CA ARG A 86 -9.169 -3.601 -14.118 1.00 0.00 C ATOM 1258 C ARG A 86 -8.381 -3.410 -12.828 1.00 0.00 C ATOM 1259 O ARG A 86 -8.077 -4.389 -12.144 1.00 0.00 O ATOM 1260 CB ARG A 86 -10.564 -4.146 -13.791 1.00 0.00 C ATOM 1261 CG ARG A 86 -11.266 -3.422 -12.650 1.00 0.00 C ATOM 1262 CD ARG A 86 -11.964 -2.168 -13.135 1.00 0.00 C ATOM 1263 NE ARG A 86 -13.105 -2.490 -13.990 1.00 0.00 N ATOM 1264 CZ ARG A 86 -13.128 -2.305 -15.308 1.00 0.00 C ATOM 1265 NH1 ARG A 86 -12.098 -1.745 -15.924 1.00 0.00 N ATOM 1266 NH2 ARG A 86 -14.193 -2.673 -16.003 1.00 0.00 N ATOM 0 H ARG A 86 -8.210 -5.409 -14.475 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.268 -2.647 -14.635 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.185 -4.081 -14.684 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.479 -5.203 -13.538 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.993 -4.089 -12.187 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.539 -3.161 -11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.302 -1.584 -12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.258 -1.547 -13.686 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.937 -2.882 -13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.281 -1.453 -15.388 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.122 -1.606 -16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.991 -3.096 -15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.216 -2.534 -17.013 1.00 0.00 H new ATOM 1280 N LEU A 87 -8.027 -2.177 -12.488 1.00 0.00 N ATOM 1281 CA LEU A 87 -7.373 -1.918 -11.215 1.00 0.00 C ATOM 1282 C LEU A 87 -8.432 -1.815 -10.136 1.00 0.00 C ATOM 1283 O LEU A 87 -9.286 -0.927 -10.187 1.00 0.00 O ATOM 1284 CB LEU A 87 -6.571 -0.615 -11.269 1.00 0.00 C ATOM 1285 CG LEU A 87 -5.523 -0.530 -12.376 1.00 0.00 C ATOM 1286 CD1 LEU A 87 -4.881 0.844 -12.394 1.00 0.00 C ATOM 1287 CD2 LEU A 87 -4.470 -1.610 -12.207 1.00 0.00 C ATOM 0 H LEU A 87 -8.180 -1.352 -13.068 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.685 -2.734 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.268 0.215 -11.389 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.072 -0.477 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.022 -0.691 -13.332 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.136 0.887 -13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.645 1.601 -12.571 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.399 1.033 -11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.734 -1.529 -13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.974 -1.487 -11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.945 -2.590 -12.248 1.00 0.00 H new ATOM 1299 N VAL A 88 -8.387 -2.711 -9.171 1.00 0.00 N ATOM 1300 CA VAL A 88 -9.439 -2.781 -8.172 1.00 0.00 C ATOM 1301 C VAL A 88 -9.111 -1.865 -7.001 1.00 0.00 C ATOM 1302 O VAL A 88 -7.989 -1.373 -6.885 1.00 0.00 O ATOM 1303 CB VAL A 88 -9.656 -4.221 -7.654 1.00 0.00 C ATOM 1304 CG1 VAL A 88 -11.107 -4.438 -7.256 1.00 0.00 C ATOM 1305 CG2 VAL A 88 -9.222 -5.252 -8.685 1.00 0.00 C ATOM 0 H VAL A 88 -7.641 -3.397 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.362 -2.456 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.033 -4.352 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.236 -5.458 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.377 -3.736 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.750 -4.275 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.388 -6.254 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.804 -5.121 -9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.163 -5.120 -8.908 1.00 0.00 H new ATOM 1364 N ASP A 93 -4.685 -6.145 -6.081 1.00 0.00 N ATOM 1365 CA ASP A 93 -5.985 -6.189 -6.718 1.00 0.00 C ATOM 1366 C ASP A 93 -5.934 -5.908 -8.205 1.00 0.00 C ATOM 1367 O ASP A 93 -6.065 -4.768 -8.645 1.00 0.00 O ATOM 1368 CB ASP A 93 -6.950 -5.231 -6.030 1.00 0.00 C ATOM 1369 CG ASP A 93 -7.453 -5.760 -4.700 1.00 0.00 C ATOM 1370 OD1 ASP A 93 -6.791 -5.524 -3.666 1.00 0.00 O ATOM 1371 OD2 ASP A 93 -8.510 -6.425 -4.677 1.00 0.00 O ATOM 0 HA ASP A 93 -6.346 -7.212 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.453 -4.274 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.800 -5.044 -6.687 1.00 0.00 H new ATOM 1376 N ILE A 94 -5.743 -6.959 -8.982 1.00 0.00 N ATOM 1377 CA ILE A 94 -5.811 -6.844 -10.427 1.00 0.00 C ATOM 1378 C ILE A 94 -6.877 -7.752 -10.980 1.00 0.00 C ATOM 1379 O ILE A 94 -6.752 -8.968 -10.949 1.00 0.00 O ATOM 1380 CB ILE A 94 -4.471 -7.194 -11.072 1.00 0.00 C ATOM 1381 CG1 ILE A 94 -3.377 -6.344 -10.448 1.00 0.00 C ATOM 1382 CG2 ILE A 94 -4.526 -6.983 -12.581 1.00 0.00 C ATOM 1383 CD1 ILE A 94 -2.007 -6.918 -10.630 1.00 0.00 C ATOM 0 H ILE A 94 -5.540 -7.898 -8.638 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.056 -5.808 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.252 -8.247 -10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.407 -5.346 -10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.578 -6.230 -9.383 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.561 -7.238 -13.019 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.299 -7.620 -13.010 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.757 -5.939 -12.794 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.273 -6.263 -10.161 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.961 -7.904 -10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.788 -7.006 -11.694 1.00 0.00 H new ATOM 1395 N ASP A 95 -7.926 -7.159 -11.481 1.00 0.00 N ATOM 1396 CA ASP A 95 -9.003 -7.927 -12.038 1.00 0.00 C ATOM 1397 C ASP A 95 -8.797 -8.058 -13.530 1.00 0.00 C ATOM 1398 O ASP A 95 -8.440 -7.096 -14.206 1.00 0.00 O ATOM 1399 CB ASP A 95 -10.333 -7.253 -11.721 1.00 0.00 C ATOM 1400 CG ASP A 95 -11.534 -8.073 -12.151 1.00 0.00 C ATOM 1401 OD1 ASP A 95 -11.920 -9.001 -11.407 1.00 0.00 O ATOM 1402 OD2 ASP A 95 -12.116 -7.774 -13.212 1.00 0.00 O ATOM 0 H ASP A 95 -8.057 -6.148 -11.515 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.019 -8.925 -11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.393 -7.067 -10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.368 -6.282 -12.215 1.00 0.00 H new ATOM 1407 N CYS A 96 -8.990 -9.252 -14.032 1.00 0.00 N ATOM 1408 CA CYS A 96 -8.728 -9.532 -15.426 1.00 0.00 C ATOM 1409 C CYS A 96 -9.872 -10.325 -16.017 1.00 0.00 C ATOM 1410 O CYS A 96 -10.448 -11.184 -15.354 1.00 0.00 O ATOM 1411 CB CYS A 96 -7.407 -10.288 -15.577 1.00 0.00 C ATOM 1412 SG CYS A 96 -7.282 -11.779 -14.562 1.00 0.00 S ATOM 0 H CYS A 96 -9.329 -10.050 -13.495 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.643 -8.590 -15.968 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.277 -10.563 -16.624 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.587 -9.618 -15.320 1.00 0.00 H new ATOM 0 HG CYS A 96 -8.034 -11.652 -13.509 1.00 0.00 H new ATOM 1418 N LYS A 97 -10.210 -10.027 -17.256 1.00 0.00 N ATOM 1419 CA LYS A 97 -11.290 -10.721 -17.922 1.00 0.00 C ATOM 1420 C LYS A 97 -10.704 -11.698 -18.923 1.00 0.00 C ATOM 1421 O LYS A 97 -9.997 -11.305 -19.852 1.00 0.00 O ATOM 1422 CB LYS A 97 -12.237 -9.734 -18.610 1.00 0.00 C ATOM 1423 CG LYS A 97 -12.691 -8.597 -17.704 1.00 0.00 C ATOM 1424 CD LYS A 97 -13.990 -7.974 -18.190 1.00 0.00 C ATOM 1425 CE LYS A 97 -15.180 -8.866 -17.870 1.00 0.00 C ATOM 1426 NZ LYS A 97 -16.435 -8.371 -18.492 1.00 0.00 N ATOM 0 H LYS A 97 -9.752 -9.310 -17.819 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.876 -11.268 -17.183 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.740 -9.315 -19.485 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.113 -10.274 -18.970 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.825 -8.972 -16.689 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.915 -7.833 -17.662 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.126 -6.999 -17.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.936 -7.807 -19.266 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.978 -9.878 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.310 -8.922 -16.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.219 -9.009 -18.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.644 -7.415 -18.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.322 -8.342 -19.525 1.00 0.00 H new ATOM 1440 N ILE A 98 -10.995 -12.971 -18.725 1.00 0.00 N ATOM 1441 CA ILE A 98 -10.369 -14.024 -19.499 1.00 0.00 C ATOM 1442 C ILE A 98 -11.419 -14.799 -20.282 1.00 0.00 C ATOM 1443 O ILE A 98 -12.221 -15.537 -19.701 1.00 0.00 O ATOM 1444 CB ILE A 98 -9.590 -14.985 -18.579 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -8.594 -14.193 -17.730 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -8.870 -16.048 -19.399 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -8.127 -14.931 -16.500 1.00 0.00 C ATOM 0 H ILE A 98 -11.665 -13.300 -18.030 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.670 -13.564 -20.198 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.295 -15.490 -17.918 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.728 -13.940 -18.342 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.055 -13.253 -17.426 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.326 -16.716 -18.731 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.599 -16.622 -19.972 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.169 -15.568 -20.082 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.423 -14.308 -15.947 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.984 -15.161 -15.866 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.636 -15.858 -16.796 1.00 0.00 H new ATOM 1459 N ASP A 99 -11.421 -14.608 -21.598 1.00 0.00 N ATOM 1460 CA ASP A 99 -12.371 -15.293 -22.469 1.00 0.00 C ATOM 1461 C ASP A 99 -12.294 -16.785 -22.260 1.00 0.00 C ATOM 1462 O ASP A 99 -11.219 -17.380 -22.341 1.00 0.00 O ATOM 1463 CB ASP A 99 -12.091 -15.002 -23.937 1.00 0.00 C ATOM 1464 CG ASP A 99 -13.120 -15.623 -24.861 1.00 0.00 C ATOM 1465 OD1 ASP A 99 -14.322 -15.300 -24.735 1.00 0.00 O ATOM 1466 OD2 ASP A 99 -12.725 -16.421 -25.740 1.00 0.00 O ATOM 0 H ASP A 99 -10.776 -13.985 -22.084 1.00 0.00 H new ATOM 0 HA ASP A 99 -13.364 -14.925 -22.212 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -12.072 -13.923 -24.093 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.101 -15.379 -24.196 1.00 0.00 H new ATOM 1471 N GLY A 100 -13.428 -17.378 -21.982 1.00 0.00 N ATOM 1472 CA GLY A 100 -13.479 -18.797 -21.801 1.00 0.00 C ATOM 1473 C GLY A 100 -14.105 -19.170 -20.479 1.00 0.00 C ATOM 1474 O GLY A 100 -15.062 -19.943 -20.424 1.00 0.00 O ATOM 0 H GLY A 100 -14.322 -16.898 -21.878 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.050 -19.247 -22.613 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.470 -19.207 -21.854 1.00 0.00 H new ATOM 1478 N ILE A 101 -13.569 -18.601 -19.410 1.00 0.00 N ATOM 1479 CA ILE A 101 -14.043 -18.899 -18.070 1.00 0.00 C ATOM 1480 C ILE A 101 -14.728 -17.685 -17.451 1.00 0.00 C ATOM 1481 O ILE A 101 -15.745 -17.815 -16.768 1.00 0.00 O ATOM 1482 CB ILE A 101 -12.891 -19.371 -17.152 1.00 0.00 C ATOM 1483 CG1 ILE A 101 -11.779 -18.315 -17.075 1.00 0.00 C ATOM 1484 CG2 ILE A 101 -12.333 -20.691 -17.661 1.00 0.00 C ATOM 1485 CD1 ILE A 101 -10.677 -18.657 -16.094 1.00 0.00 C ATOM 0 H ILE A 101 -12.803 -17.928 -19.446 1.00 0.00 H new ATOM 0 HA ILE A 101 -14.767 -19.709 -18.159 1.00 0.00 H new ATOM 0 HB ILE A 101 -13.288 -19.514 -16.147 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -11.343 -18.187 -18.066 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -12.219 -17.358 -16.794 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -11.522 -21.018 -17.010 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -13.122 -21.443 -17.663 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.954 -20.559 -18.675 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.929 -17.864 -16.096 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -11.098 -18.756 -15.094 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.209 -19.598 -16.385 1.00 0.00 H new ATOM 1497 N GLY A 102 -14.159 -16.511 -17.685 1.00 0.00 N ATOM 1498 CA GLY A 102 -14.719 -15.289 -17.152 1.00 0.00 C ATOM 1499 C GLY A 102 -13.638 -14.408 -16.563 1.00 0.00 C ATOM 1500 O GLY A 102 -12.499 -14.435 -17.020 1.00 0.00 O ATOM 0 H GLY A 102 -13.312 -16.384 -18.240 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.242 -14.750 -17.942 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.457 -15.527 -16.386 1.00 0.00 H new ATOM 1504 N ALA A 103 -13.980 -13.637 -15.547 1.00 0.00 N ATOM 1505 CA ALA A 103 -13.012 -12.764 -14.900 1.00 0.00 C ATOM 1506 C ALA A 103 -12.295 -13.493 -13.766 1.00 0.00 C ATOM 1507 O ALA A 103 -12.827 -14.444 -13.191 1.00 0.00 O ATOM 1508 CB ALA A 103 -13.697 -11.508 -14.386 1.00 0.00 C ATOM 0 H ALA A 103 -14.919 -13.596 -15.151 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.263 -12.473 -15.637 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.962 -10.864 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.155 -10.976 -15.220 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.467 -11.783 -13.665 1.00 0.00 H new ATOM 1514 N MET A 104 -11.090 -13.036 -13.446 1.00 0.00 N ATOM 1515 CA MET A 104 -10.278 -13.657 -12.408 1.00 0.00 C ATOM 1516 C MET A 104 -9.430 -12.605 -11.693 1.00 0.00 C ATOM 1517 O MET A 104 -9.229 -11.505 -12.209 1.00 0.00 O ATOM 1518 CB MET A 104 -9.394 -14.755 -13.013 1.00 0.00 C ATOM 1519 CG MET A 104 -8.500 -15.455 -12.000 1.00 0.00 C ATOM 1520 SD MET A 104 -7.736 -16.953 -12.649 1.00 0.00 S ATOM 1521 CE MET A 104 -6.738 -17.455 -11.249 1.00 0.00 C ATOM 0 H MET A 104 -10.652 -12.232 -13.895 1.00 0.00 H new ATOM 0 HA MET A 104 -10.938 -14.116 -11.672 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.031 -15.497 -13.494 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.770 -14.317 -13.792 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.719 -14.767 -11.676 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.088 -15.707 -11.118 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.881 -18.030 -11.600 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.388 -16.571 -10.716 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.337 -18.070 -10.577 1.00 0.00 H new ATOM 1531 N LYS A 105 -8.935 -12.951 -10.509 1.00 0.00 N ATOM 1532 CA LYS A 105 -8.161 -12.027 -9.695 1.00 0.00 C ATOM 1533 C LYS A 105 -6.692 -12.434 -9.705 1.00 0.00 C ATOM 1534 O LYS A 105 -6.375 -13.622 -9.769 1.00 0.00 O ATOM 1535 CB LYS A 105 -8.675 -12.011 -8.252 1.00 0.00 C ATOM 1536 CG LYS A 105 -10.186 -11.877 -8.122 1.00 0.00 C ATOM 1537 CD LYS A 105 -10.887 -13.227 -8.154 1.00 0.00 C ATOM 1538 CE LYS A 105 -12.362 -13.105 -7.793 1.00 0.00 C ATOM 1539 NZ LYS A 105 -13.116 -12.247 -8.746 1.00 0.00 N ATOM 0 H LYS A 105 -9.059 -13.873 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.269 -11.027 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.360 -12.930 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.203 -11.185 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.425 -11.367 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.565 -11.253 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.791 -13.664 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -10.397 -13.908 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.810 -14.098 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.453 -12.692 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.116 -12.211 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.719 -11.286 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.040 -12.643 -9.705 1.00 0.00 H new ATOM 1553 N LEU A 106 -5.805 -11.453 -9.635 1.00 0.00 N ATOM 1554 CA LEU A 106 -4.375 -11.705 -9.701 1.00 0.00 C ATOM 1555 C LEU A 106 -3.633 -11.008 -8.566 1.00 0.00 C ATOM 1556 O LEU A 106 -3.972 -9.891 -8.167 1.00 0.00 O ATOM 1557 CB LEU A 106 -3.810 -11.228 -11.040 1.00 0.00 C ATOM 1558 CG LEU A 106 -4.383 -11.914 -12.281 1.00 0.00 C ATOM 1559 CD1 LEU A 106 -3.818 -11.275 -13.536 1.00 0.00 C ATOM 1560 CD2 LEU A 106 -4.084 -13.410 -12.259 1.00 0.00 C ATOM 0 H LEU A 106 -6.053 -10.469 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.229 -12.781 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.985 -10.156 -11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.730 -11.375 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.466 -11.787 -12.280 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.232 -11.770 -14.414 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.083 -10.218 -13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.733 -11.377 -13.539 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.501 -13.878 -13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.005 -13.565 -12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.532 -13.858 -11.372 1.00 0.00 H new ATOM 1572 N LYS A 107 -2.629 -11.699 -8.056 1.00 0.00 N ATOM 1573 CA LYS A 107 -1.755 -11.157 -7.044 1.00 0.00 C ATOM 1574 C LYS A 107 -0.756 -10.221 -7.683 1.00 0.00 C ATOM 1575 O LYS A 107 0.013 -10.623 -8.557 1.00 0.00 O ATOM 1576 CB LYS A 107 -1.037 -12.265 -6.276 1.00 0.00 C ATOM 1577 CG LYS A 107 -1.709 -12.620 -4.961 1.00 0.00 C ATOM 1578 CD LYS A 107 -0.860 -13.584 -4.153 1.00 0.00 C ATOM 1579 CE LYS A 107 -1.340 -13.685 -2.716 1.00 0.00 C ATOM 1580 NZ LYS A 107 -1.285 -12.372 -2.016 1.00 0.00 N ATOM 0 H LYS A 107 -2.401 -12.653 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.361 -10.602 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.986 -13.156 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.011 -11.954 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.884 -11.713 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.684 -13.066 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.888 -14.570 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.179 -13.254 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.363 -14.061 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.726 -14.408 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.049 -12.522 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.557 -11.774 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.210 -11.902 -2.087 1.00 0.00 H new ATOM 1594 N SER A 108 -0.786 -8.974 -7.251 1.00 0.00 N ATOM 1595 CA SER A 108 0.083 -7.950 -7.793 1.00 0.00 C ATOM 1596 C SER A 108 1.548 -8.348 -7.655 1.00 0.00 C ATOM 1597 O SER A 108 2.371 -8.054 -8.520 1.00 0.00 O ATOM 1598 CB SER A 108 -0.196 -6.633 -7.076 1.00 0.00 C ATOM 1599 OG SER A 108 -0.345 -6.837 -5.680 1.00 0.00 O ATOM 0 H SER A 108 -1.412 -8.645 -6.516 1.00 0.00 H new ATOM 0 HA SER A 108 -0.120 -7.831 -8.857 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.620 -5.934 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.101 -6.179 -7.480 1.00 0.00 H new ATOM 0 HG SER A 108 -0.522 -5.979 -5.241 1.00 0.00 H new ATOM 1605 N GLU A 109 1.866 -9.040 -6.573 1.00 0.00 N ATOM 1606 CA GLU A 109 3.223 -9.498 -6.333 1.00 0.00 C ATOM 1607 C GLU A 109 3.647 -10.614 -7.290 1.00 0.00 C ATOM 1608 O GLU A 109 4.806 -11.028 -7.278 1.00 0.00 O ATOM 1609 CB GLU A 109 3.377 -9.960 -4.891 1.00 0.00 C ATOM 1610 CG GLU A 109 2.448 -11.089 -4.524 1.00 0.00 C ATOM 1611 CD GLU A 109 1.175 -10.624 -3.840 1.00 0.00 C ATOM 1612 OE1 GLU A 109 0.405 -9.854 -4.453 1.00 0.00 O ATOM 1613 OE2 GLU A 109 0.926 -11.045 -2.690 1.00 0.00 O ATOM 0 H GLU A 109 1.199 -9.297 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 109 3.881 -8.649 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.407 -10.278 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.194 -9.117 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.186 -11.642 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.973 -11.782 -3.866 1.00 0.00 H new ATOM 1620 N PHE A 110 2.726 -11.129 -8.100 1.00 0.00 N ATOM 1621 CA PHE A 110 3.085 -12.156 -9.066 1.00 0.00 C ATOM 1622 C PHE A 110 2.974 -11.671 -10.509 1.00 0.00 C ATOM 1623 O PHE A 110 3.215 -12.438 -11.436 1.00 0.00 O ATOM 1624 CB PHE A 110 2.208 -13.392 -8.860 1.00 0.00 C ATOM 1625 CG PHE A 110 2.614 -14.227 -7.679 1.00 0.00 C ATOM 1626 CD1 PHE A 110 3.656 -15.133 -7.783 1.00 0.00 C ATOM 1627 CD2 PHE A 110 1.954 -14.110 -6.468 1.00 0.00 C ATOM 1628 CE1 PHE A 110 4.034 -15.905 -6.702 1.00 0.00 C ATOM 1629 CE2 PHE A 110 2.327 -14.880 -5.382 1.00 0.00 C ATOM 1630 CZ PHE A 110 3.368 -15.779 -5.499 1.00 0.00 C ATOM 0 H PHE A 110 1.743 -10.856 -8.106 1.00 0.00 H new ATOM 0 HA PHE A 110 4.131 -12.409 -8.894 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.173 -13.076 -8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.244 -14.007 -9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.180 -15.237 -8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.138 -13.409 -6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.850 -16.606 -6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.804 -14.778 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.661 -16.382 -4.652 1.00 0.00 H new ATOM 1640 N VAL A 111 2.652 -10.404 -10.715 1.00 0.00 N ATOM 1641 CA VAL A 111 2.423 -9.915 -12.071 1.00 0.00 C ATOM 1642 C VAL A 111 3.517 -8.961 -12.541 1.00 0.00 C ATOM 1643 O VAL A 111 4.343 -8.489 -11.752 1.00 0.00 O ATOM 1644 CB VAL A 111 1.059 -9.216 -12.202 1.00 0.00 C ATOM 1645 CG1 VAL A 111 -0.066 -10.168 -11.830 1.00 0.00 C ATOM 1646 CG2 VAL A 111 1.020 -7.968 -11.344 1.00 0.00 C ATOM 0 H VAL A 111 2.544 -9.706 -9.979 1.00 0.00 H new ATOM 0 HA VAL A 111 2.438 -10.800 -12.708 1.00 0.00 H new ATOM 0 HB VAL A 111 0.919 -8.918 -13.241 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.023 -9.656 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.046 -11.032 -12.494 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.064 -10.500 -10.800 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.048 -7.485 -11.448 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.181 -8.239 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.803 -7.281 -11.665 1.00 0.00 H new ATOM 1656 N ARG A 112 3.514 -8.709 -13.843 1.00 0.00 N ATOM 1657 CA ARG A 112 4.451 -7.799 -14.483 1.00 0.00 C ATOM 1658 C ARG A 112 3.754 -7.000 -15.565 1.00 0.00 C ATOM 1659 O ARG A 112 3.012 -7.552 -16.374 1.00 0.00 O ATOM 1660 CB ARG A 112 5.623 -8.575 -15.095 1.00 0.00 C ATOM 1661 CG ARG A 112 6.389 -7.812 -16.170 1.00 0.00 C ATOM 1662 CD ARG A 112 7.827 -8.298 -16.297 1.00 0.00 C ATOM 1663 NE ARG A 112 8.567 -7.567 -17.326 1.00 0.00 N ATOM 1664 CZ ARG A 112 9.324 -8.143 -18.259 1.00 0.00 C ATOM 1665 NH1 ARG A 112 9.427 -9.468 -18.318 1.00 0.00 N ATOM 1666 NH2 ARG A 112 9.973 -7.386 -19.135 1.00 0.00 N ATOM 0 H ARG A 112 2.852 -9.136 -14.491 1.00 0.00 H new ATOM 0 HA ARG A 112 4.834 -7.117 -13.724 1.00 0.00 H new ATOM 0 HB2 ARG A 112 6.315 -8.851 -14.300 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.244 -9.502 -15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 112 5.881 -7.927 -17.128 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.385 -6.748 -15.932 1.00 0.00 H new ATOM 0 HD2 ARG A 112 8.333 -8.185 -15.338 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.830 -9.362 -16.536 1.00 0.00 H new ATOM 0 HE ARG A 112 8.499 -6.549 -17.329 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.925 -10.049 -17.647 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.008 -9.903 -19.035 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.890 -6.370 -19.091 1.00 0.00 H new ATOM 0 HH22 ARG A 112 10.554 -7.820 -19.852 1.00 0.00 H new ATOM 1680 N LYS A 113 3.987 -5.704 -15.574 1.00 0.00 N ATOM 1681 CA LYS A 113 3.465 -4.859 -16.625 1.00 0.00 C ATOM 1682 C LYS A 113 4.101 -5.202 -17.963 1.00 0.00 C ATOM 1683 O LYS A 113 5.306 -5.442 -18.048 1.00 0.00 O ATOM 1684 CB LYS A 113 3.733 -3.392 -16.332 1.00 0.00 C ATOM 1685 CG LYS A 113 3.046 -2.483 -17.325 1.00 0.00 C ATOM 1686 CD LYS A 113 3.726 -1.140 -17.433 1.00 0.00 C ATOM 1687 CE LYS A 113 3.083 -0.317 -18.526 1.00 0.00 C ATOM 1688 NZ LYS A 113 1.751 0.203 -18.125 1.00 0.00 N ATOM 0 H LYS A 113 4.534 -5.214 -14.866 1.00 0.00 H new ATOM 0 HA LYS A 113 2.390 -5.034 -16.670 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.390 -3.155 -15.325 1.00 0.00 H new ATOM 0 HB3 LYS A 113 4.807 -3.208 -16.354 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.033 -2.961 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.008 -2.340 -17.026 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.658 -0.612 -16.482 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.786 -1.277 -17.646 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.735 0.518 -18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 113 2.978 -0.926 -19.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 1.355 0.775 -18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.114 -0.594 -17.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.850 0.792 -17.274 1.00 0.00 H new ATOM 1702 N VAL A 114 3.291 -5.203 -19.003 1.00 0.00 N ATOM 1703 CA VAL A 114 3.791 -5.401 -20.357 1.00 0.00 C ATOM 1704 C VAL A 114 3.834 -4.064 -21.082 1.00 0.00 C ATOM 1705 O VAL A 114 4.801 -3.743 -21.774 1.00 0.00 O ATOM 1706 CB VAL A 114 2.923 -6.388 -21.165 1.00 0.00 C ATOM 1707 CG1 VAL A 114 3.569 -6.699 -22.506 1.00 0.00 C ATOM 1708 CG2 VAL A 114 2.686 -7.663 -20.380 1.00 0.00 C ATOM 0 H VAL A 114 2.282 -5.069 -18.940 1.00 0.00 H new ATOM 0 HA VAL A 114 4.791 -5.828 -20.276 1.00 0.00 H new ATOM 0 HB VAL A 114 1.958 -5.917 -21.350 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.941 -7.397 -23.060 1.00 0.00 H new ATOM 0 HG12 VAL A 114 3.680 -5.778 -23.079 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.550 -7.145 -22.343 1.00 0.00 H new ATOM 0 HG21 VAL A 114 2.072 -8.344 -20.969 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.642 -8.137 -20.158 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.173 -7.426 -19.448 1.00 0.00 H new ATOM 1718 N GLY A 115 2.779 -3.278 -20.901 1.00 0.00 N ATOM 1719 CA GLY A 115 2.713 -1.974 -21.525 1.00 0.00 C ATOM 1720 C GLY A 115 2.310 -2.058 -22.978 1.00 0.00 C ATOM 1721 O GLY A 115 2.719 -1.233 -23.793 1.00 0.00 O ATOM 0 H GLY A 115 1.968 -3.523 -20.332 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.999 -1.351 -20.987 1.00 0.00 H new ATOM 0 HA3 GLY A 115 3.684 -1.486 -21.447 1.00 0.00 H new ATOM 1725 N SER A 116 1.530 -3.072 -23.312 1.00 0.00 N ATOM 1726 CA SER A 116 1.023 -3.219 -24.661 1.00 0.00 C ATOM 1727 C SER A 116 -0.271 -2.437 -24.814 1.00 0.00 C ATOM 1728 O SER A 116 -1.318 -2.906 -24.314 1.00 0.00 O ATOM 1729 CB SER A 116 0.809 -4.693 -24.996 1.00 0.00 C ATOM 1730 OG SER A 116 2.030 -5.408 -24.907 1.00 0.00 O ATOM 1731 OXT SER A 116 -0.230 -1.343 -25.413 1.00 0.00 O ATOM 0 H SER A 116 1.235 -3.804 -22.666 1.00 0.00 H new ATOM 0 HA SER A 116 1.757 -2.819 -25.360 1.00 0.00 H new ATOM 0 HB2 SER A 116 0.078 -5.124 -24.312 1.00 0.00 H new ATOM 0 HB3 SER A 116 0.399 -4.787 -26.002 1.00 0.00 H new ATOM 0 HG SER A 116 1.873 -6.351 -25.123 1.00 0.00 H new