USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 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 28 TYR OH : rot 180:sc= -0.0156 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -129:sc= 0.886 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -153:sc= -0.148 (180deg=-0.701) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -140:sc= -1.61 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.698 K(o=-0.7,f=-0.0081) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0749 K(o=-0.075,f=-3.8!) USER MOD Single : A 75 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.46) USER MOD Single : A 76 HIS : no HE2:sc= 0.147 K(o=0.15,f=-0.52) USER MOD Single : A 79 THR OG1 : rot 140:sc= -0.921 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0652 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 159:sc= -0.0626 USER MOD Single : A 96 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.32) USER MOD Single : A 103 SER OG : rot 160:sc= -1.96! USER MOD Single : A 105 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -2.922 -14.160 -9.483 1.00 0.00 N ATOM 57 CA VAL A 20 -3.170 -12.826 -8.947 1.00 0.00 C ATOM 58 C VAL A 20 -3.091 -11.761 -10.039 1.00 0.00 C ATOM 59 O VAL A 20 -2.638 -12.031 -11.152 1.00 0.00 O ATOM 60 CB VAL A 20 -2.160 -12.472 -7.840 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.340 -13.385 -6.639 1.00 0.00 C ATOM 62 CG2 VAL A 20 -0.737 -12.551 -8.372 1.00 0.00 C ATOM 0 HA VAL A 20 -4.177 -12.841 -8.530 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.347 -11.448 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.617 -13.119 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.350 -13.272 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.183 -14.420 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.036 -12.298 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.536 -13.563 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.618 -11.849 -9.197 1.00 0.00 H new ATOM 72 N GLU A 21 -3.532 -10.553 -9.710 1.00 0.00 N ATOM 73 CA GLU A 21 -3.508 -9.446 -10.659 1.00 0.00 C ATOM 74 C GLU A 21 -2.768 -8.250 -10.072 1.00 0.00 C ATOM 75 O GLU A 21 -3.129 -7.746 -9.006 1.00 0.00 O ATOM 76 CB GLU A 21 -4.935 -9.046 -11.045 1.00 0.00 C ATOM 77 CG GLU A 21 -5.250 -9.260 -12.516 1.00 0.00 C ATOM 78 CD GLU A 21 -6.567 -8.631 -12.927 1.00 0.00 C ATOM 79 OE1 GLU A 21 -6.705 -7.398 -12.787 1.00 0.00 O ATOM 80 OE2 GLU A 21 -7.459 -9.372 -13.391 1.00 0.00 O ATOM 0 H GLU A 21 -3.911 -10.315 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.980 -9.774 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.640 -9.621 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.088 -7.995 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.446 -8.840 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.281 -10.329 -12.725 1.00 0.00 H new ATOM 87 N LEU A 22 -1.729 -7.804 -10.769 1.00 0.00 N ATOM 88 CA LEU A 22 -0.932 -6.672 -10.318 1.00 0.00 C ATOM 89 C LEU A 22 -1.774 -5.405 -10.213 1.00 0.00 C ATOM 90 O LEU A 22 -2.772 -5.250 -10.916 1.00 0.00 O ATOM 91 CB LEU A 22 0.235 -6.440 -11.275 1.00 0.00 C ATOM 92 CG LEU A 22 1.479 -7.271 -10.979 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.560 -7.001 -12.011 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.989 -6.975 -9.576 1.00 0.00 C ATOM 0 H LEU A 22 -1.419 -8.211 -11.651 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.548 -6.907 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.097 -6.657 -12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.505 -5.384 -11.247 1.00 0.00 H new ATOM 0 HG LEU A 22 1.213 -8.327 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.439 -7.603 -11.783 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.190 -7.261 -13.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.828 -5.945 -11.989 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.877 -7.575 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.240 -5.917 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.215 -7.221 -8.848 1.00 0.00 H new ATOM 106 N HIS A 23 -1.360 -4.500 -9.331 1.00 0.00 N ATOM 107 CA HIS A 23 -2.071 -3.245 -9.134 1.00 0.00 C ATOM 108 C HIS A 23 -1.152 -2.183 -8.537 1.00 0.00 C ATOM 109 O HIS A 23 -0.765 -2.269 -7.370 1.00 0.00 O ATOM 110 CB HIS A 23 -3.282 -3.458 -8.225 1.00 0.00 C ATOM 111 CG HIS A 23 -4.440 -4.109 -8.913 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.816 -3.805 -10.204 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.310 -5.056 -8.483 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.866 -4.536 -10.538 1.00 0.00 C ATOM 115 NE2 HIS A 23 -6.184 -5.302 -9.512 1.00 0.00 N ATOM 0 H HIS A 23 -0.535 -4.614 -8.742 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.413 -2.895 -10.108 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.984 -4.071 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.601 -2.495 -7.827 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.314 -5.529 -7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.377 -4.510 -11.489 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.955 -5.969 -9.488 1.00 0.00 H new ATOM 124 N LYS A 24 -0.812 -1.179 -9.342 1.00 0.00 N ATOM 125 CA LYS A 24 0.053 -0.097 -8.890 1.00 0.00 C ATOM 126 C LYS A 24 -0.703 0.809 -7.925 1.00 0.00 C ATOM 127 O LYS A 24 -1.659 1.481 -8.312 1.00 0.00 O ATOM 128 CB LYS A 24 0.561 0.714 -10.085 1.00 0.00 C ATOM 129 CG LYS A 24 2.077 0.775 -10.178 1.00 0.00 C ATOM 130 CD LYS A 24 2.646 -0.473 -10.834 1.00 0.00 C ATOM 131 CE LYS A 24 2.139 -0.632 -12.258 1.00 0.00 C ATOM 132 NZ LYS A 24 3.136 -1.317 -13.128 1.00 0.00 N ATOM 0 H LYS A 24 -1.123 -1.094 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 24 0.910 -0.528 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.166 0.279 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.168 1.729 -10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.372 1.655 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.500 0.887 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.735 -0.420 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.372 -1.351 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.210 -1.202 -12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.908 0.349 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.753 -1.406 -14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.014 -0.760 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.338 -2.263 -12.746 1.00 0.00 H new ATOM 146 N VAL A 25 -0.286 0.810 -6.664 1.00 0.00 N ATOM 147 CA VAL A 25 -0.947 1.618 -5.649 1.00 0.00 C ATOM 148 C VAL A 25 0.016 2.596 -4.983 1.00 0.00 C ATOM 149 O VAL A 25 1.181 2.279 -4.744 1.00 0.00 O ATOM 150 CB VAL A 25 -1.594 0.736 -4.557 1.00 0.00 C ATOM 151 CG1 VAL A 25 -3.105 0.919 -4.544 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.229 -0.732 -4.749 1.00 0.00 C ATOM 0 H VAL A 25 0.504 0.262 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.722 2.182 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.202 1.055 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.541 0.289 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.343 1.963 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.514 0.636 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.698 -1.329 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.581 -1.070 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.147 -0.848 -4.694 1.00 0.00 H new ATOM 162 N THR A 26 -0.495 3.782 -4.673 1.00 0.00 N ATOM 163 CA THR A 26 0.291 4.817 -4.015 1.00 0.00 C ATOM 164 C THR A 26 -0.511 5.425 -2.869 1.00 0.00 C ATOM 165 O THR A 26 -1.466 6.169 -3.093 1.00 0.00 O ATOM 166 CB THR A 26 0.687 5.903 -5.017 1.00 0.00 C ATOM 167 OG1 THR A 26 1.469 5.357 -6.065 1.00 0.00 O ATOM 168 CG2 THR A 26 1.478 7.034 -4.397 1.00 0.00 C ATOM 0 H THR A 26 -1.459 4.051 -4.869 1.00 0.00 H new ATOM 0 HA THR A 26 1.200 4.368 -3.615 1.00 0.00 H new ATOM 0 HB THR A 26 -0.254 6.304 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.283 5.891 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.725 7.768 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.883 7.510 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.397 6.640 -3.962 1.00 0.00 H new ATOM 176 N LEU A 27 -0.135 5.085 -1.640 1.00 0.00 N ATOM 177 CA LEU A 27 -0.840 5.581 -0.462 1.00 0.00 C ATOM 178 C LEU A 27 -0.189 6.836 0.108 1.00 0.00 C ATOM 179 O LEU A 27 0.869 7.270 -0.347 1.00 0.00 O ATOM 180 CB LEU A 27 -0.886 4.499 0.617 1.00 0.00 C ATOM 181 CG LEU A 27 -1.704 3.260 0.255 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.797 2.145 -0.239 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.519 2.795 1.454 1.00 0.00 C ATOM 0 H LEU A 27 0.652 4.470 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.852 5.839 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.134 4.189 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.297 4.933 1.529 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.391 3.523 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.398 1.272 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.256 2.481 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.085 1.881 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.096 1.912 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.848 2.550 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.197 3.590 1.764 1.00 0.00 H new ATOM 195 N TYR A 28 -0.839 7.405 1.119 1.00 0.00 N ATOM 196 CA TYR A 28 -0.345 8.604 1.782 1.00 0.00 C ATOM 197 C TYR A 28 -0.506 8.475 3.294 1.00 0.00 C ATOM 198 O TYR A 28 -1.613 8.278 3.793 1.00 0.00 O ATOM 199 CB TYR A 28 -1.097 9.839 1.280 1.00 0.00 C ATOM 200 CG TYR A 28 -0.807 10.179 -0.164 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.267 9.368 -1.194 1.00 0.00 C ATOM 202 CD2 TYR A 28 -0.074 11.310 -0.498 1.00 0.00 C ATOM 203 CE1 TYR A 28 -1.004 9.674 -2.515 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.192 11.625 -1.816 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.274 10.804 -2.821 1.00 0.00 C ATOM 206 OH TYR A 28 -0.010 11.113 -4.135 1.00 0.00 O ATOM 0 H TYR A 28 -1.717 7.050 1.498 1.00 0.00 H new ATOM 0 HA TYR A 28 0.713 8.718 1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.168 9.675 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.835 10.693 1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.840 8.483 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.294 11.954 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.368 9.032 -3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.762 12.510 -2.058 1.00 0.00 H new ATOM 0 HH TYR A 28 0.514 11.940 -4.178 1.00 0.00 H new ATOM 216 N LYS A 29 0.603 8.577 4.018 1.00 0.00 N ATOM 217 CA LYS A 29 0.576 8.460 5.473 1.00 0.00 C ATOM 218 C LYS A 29 0.908 9.790 6.141 1.00 0.00 C ATOM 219 O LYS A 29 1.612 10.626 5.573 1.00 0.00 O ATOM 220 CB LYS A 29 1.559 7.382 5.935 1.00 0.00 C ATOM 221 CG LYS A 29 1.607 7.204 7.445 1.00 0.00 C ATOM 222 CD LYS A 29 2.752 6.295 7.865 1.00 0.00 C ATOM 223 CE LYS A 29 3.638 6.959 8.908 1.00 0.00 C ATOM 224 NZ LYS A 29 4.687 7.811 8.284 1.00 0.00 N ATOM 0 H LYS A 29 1.530 8.740 3.624 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.434 8.175 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.286 6.432 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.557 7.635 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.720 8.177 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.663 6.785 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.351 5.364 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.350 6.034 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.024 7.567 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.111 6.193 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.269 8.245 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.289 7.226 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.236 8.557 7.717 1.00 0.00 H new ATOM 238 N ASP A 30 0.397 9.977 7.354 1.00 0.00 N ATOM 239 CA ASP A 30 0.639 11.201 8.109 1.00 0.00 C ATOM 240 C ASP A 30 1.692 10.974 9.189 1.00 0.00 C ATOM 241 O ASP A 30 1.696 9.940 9.856 1.00 0.00 O ATOM 242 CB ASP A 30 -0.660 11.699 8.743 1.00 0.00 C ATOM 243 CG ASP A 30 -0.575 13.152 9.172 1.00 0.00 C ATOM 244 OD1 ASP A 30 -0.051 13.972 8.389 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.031 13.468 10.290 1.00 0.00 O ATOM 0 H ASP A 30 -0.188 9.295 7.836 1.00 0.00 H new ATOM 0 HA ASP A 30 1.011 11.958 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.477 11.580 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.899 11.081 9.608 1.00 0.00 H new ATOM 250 N SER A 31 2.584 11.945 9.353 1.00 0.00 N ATOM 251 CA SER A 31 3.647 11.854 10.351 1.00 0.00 C ATOM 252 C SER A 31 3.087 11.503 11.728 1.00 0.00 C ATOM 253 O SER A 31 3.784 10.923 12.561 1.00 0.00 O ATOM 254 CB SER A 31 4.418 13.173 10.425 1.00 0.00 C ATOM 255 OG SER A 31 4.999 13.496 9.175 1.00 0.00 O ATOM 0 H SER A 31 2.593 12.807 8.807 1.00 0.00 H new ATOM 0 HA SER A 31 4.324 11.057 10.045 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.746 13.973 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.197 13.100 11.183 1.00 0.00 H new ATOM 0 HG SER A 31 5.484 14.344 9.249 1.00 0.00 H new ATOM 261 N GLY A 32 1.827 11.857 11.961 1.00 0.00 N ATOM 262 CA GLY A 32 1.201 11.570 13.237 1.00 0.00 C ATOM 263 C GLY A 32 0.730 10.134 13.345 1.00 0.00 C ATOM 264 O GLY A 32 0.832 9.517 14.406 1.00 0.00 O ATOM 0 H GLY A 32 1.229 12.337 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.909 11.778 14.040 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.352 12.239 13.380 1.00 0.00 H new ATOM 268 N MET A 33 0.210 9.599 12.246 1.00 0.00 N ATOM 269 CA MET A 33 -0.281 8.225 12.221 1.00 0.00 C ATOM 270 C MET A 33 0.866 7.240 12.022 1.00 0.00 C ATOM 271 O MET A 33 1.929 7.601 11.518 1.00 0.00 O ATOM 272 CB MET A 33 -1.315 8.050 11.109 1.00 0.00 C ATOM 273 CG MET A 33 -2.660 8.687 11.425 1.00 0.00 C ATOM 274 SD MET A 33 -3.887 7.484 11.975 1.00 0.00 S ATOM 275 CE MET A 33 -4.099 6.511 10.487 1.00 0.00 C ATOM 0 H MET A 33 0.117 10.096 11.360 1.00 0.00 H new ATOM 0 HA MET A 33 -0.752 8.018 13.182 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.924 8.484 10.189 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.461 6.986 10.923 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.527 9.443 12.198 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.032 9.200 10.538 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.097 6.073 10.478 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.975 7.151 9.613 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.354 5.716 10.463 1.00 0.00 H new ATOM 285 N GLU A 34 0.643 5.990 12.421 1.00 0.00 N ATOM 286 CA GLU A 34 1.658 4.952 12.284 1.00 0.00 C ATOM 287 C GLU A 34 1.299 3.985 11.164 1.00 0.00 C ATOM 288 O GLU A 34 2.173 3.427 10.501 1.00 0.00 O ATOM 289 CB GLU A 34 1.826 4.194 13.603 1.00 0.00 C ATOM 290 CG GLU A 34 3.237 4.256 14.165 1.00 0.00 C ATOM 291 CD GLU A 34 4.166 3.245 13.521 1.00 0.00 C ATOM 292 OE1 GLU A 34 4.210 3.189 12.274 1.00 0.00 O ATOM 293 OE2 GLU A 34 4.850 2.509 14.264 1.00 0.00 O ATOM 0 H GLU A 34 -0.231 5.673 12.841 1.00 0.00 H new ATOM 0 HA GLU A 34 2.603 5.433 12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.133 4.603 14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.550 3.151 13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.639 5.258 14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.204 4.080 15.240 1.00 0.00 H new ATOM 300 N ASP A 35 0.005 3.802 10.957 1.00 0.00 N ATOM 301 CA ASP A 35 -0.490 2.910 9.916 1.00 0.00 C ATOM 302 C ASP A 35 -0.561 3.633 8.575 1.00 0.00 C ATOM 303 O ASP A 35 -0.368 4.848 8.506 1.00 0.00 O ATOM 304 CB ASP A 35 -1.870 2.368 10.291 1.00 0.00 C ATOM 305 CG ASP A 35 -1.827 1.475 11.516 1.00 0.00 C ATOM 306 OD1 ASP A 35 -1.319 1.927 12.563 1.00 0.00 O ATOM 307 OD2 ASP A 35 -2.301 0.323 11.428 1.00 0.00 O ATOM 0 H ASP A 35 -0.727 4.261 11.499 1.00 0.00 H new ATOM 0 HA ASP A 35 0.205 2.075 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.547 3.202 10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.278 1.807 9.450 1.00 0.00 H new ATOM 312 N PHE A 36 -0.841 2.886 7.512 1.00 0.00 N ATOM 313 CA PHE A 36 -0.936 3.466 6.178 1.00 0.00 C ATOM 314 C PHE A 36 -2.329 3.264 5.589 1.00 0.00 C ATOM 315 O PHE A 36 -2.487 3.131 4.376 1.00 0.00 O ATOM 316 CB PHE A 36 0.124 2.865 5.253 1.00 0.00 C ATOM 317 CG PHE A 36 1.058 3.892 4.680 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.654 4.709 3.634 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.336 4.047 5.192 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.509 5.658 3.109 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.197 4.996 4.670 1.00 0.00 C ATOM 322 CZ PHE A 36 2.783 5.802 3.628 1.00 0.00 C ATOM 0 H PHE A 36 -1.006 1.880 7.548 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.756 4.537 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.703 2.125 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.371 2.338 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.340 4.602 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.664 3.420 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.183 6.287 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.191 5.106 5.077 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.453 6.544 3.219 1.00 0.00 H new ATOM 332 N GLY A 37 -3.334 3.254 6.456 1.00 0.00 N ATOM 333 CA GLY A 37 -4.702 3.079 6.003 1.00 0.00 C ATOM 334 C GLY A 37 -5.039 1.642 5.655 1.00 0.00 C ATOM 335 O GLY A 37 -6.125 1.365 5.146 1.00 0.00 O ATOM 0 H GLY A 37 -3.227 3.364 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.382 3.426 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.871 3.707 5.128 1.00 0.00 H new ATOM 339 N PHE A 38 -4.120 0.720 5.927 1.00 0.00 N ATOM 340 CA PHE A 38 -4.355 -0.689 5.634 1.00 0.00 C ATOM 341 C PHE A 38 -3.243 -1.568 6.199 1.00 0.00 C ATOM 342 O PHE A 38 -2.067 -1.383 5.883 1.00 0.00 O ATOM 343 CB PHE A 38 -4.499 -0.902 4.121 1.00 0.00 C ATOM 344 CG PHE A 38 -3.199 -0.961 3.364 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.525 0.199 3.013 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.662 -2.181 2.984 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.340 0.140 2.301 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.482 -2.245 2.270 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.820 -1.085 1.928 1.00 0.00 C ATOM 0 H PHE A 38 -3.212 0.921 6.347 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.286 -0.983 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.045 -1.830 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.105 -0.094 3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.929 1.159 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.174 -3.094 3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.822 1.050 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.078 -3.203 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.103 -1.133 1.370 1.00 0.00 H new ATOM 359 N SER A 39 -3.628 -2.528 7.036 1.00 0.00 N ATOM 360 CA SER A 39 -2.670 -3.441 7.646 1.00 0.00 C ATOM 361 C SER A 39 -2.567 -4.727 6.836 1.00 0.00 C ATOM 362 O SER A 39 -3.552 -5.187 6.258 1.00 0.00 O ATOM 363 CB SER A 39 -3.079 -3.759 9.085 1.00 0.00 C ATOM 364 OG SER A 39 -2.457 -2.876 10.001 1.00 0.00 O ATOM 0 H SER A 39 -4.598 -2.692 7.306 1.00 0.00 H new ATOM 0 HA SER A 39 -1.694 -2.956 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.162 -3.685 9.183 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.807 -4.787 9.325 1.00 0.00 H new ATOM 0 HG SER A 39 -2.737 -3.100 10.913 1.00 0.00 H new ATOM 370 N VAL A 40 -1.369 -5.299 6.795 1.00 0.00 N ATOM 371 CA VAL A 40 -1.135 -6.530 6.051 1.00 0.00 C ATOM 372 C VAL A 40 -0.871 -7.704 6.991 1.00 0.00 C ATOM 373 O VAL A 40 -0.506 -7.513 8.151 1.00 0.00 O ATOM 374 CB VAL A 40 0.051 -6.375 5.082 1.00 0.00 C ATOM 375 CG1 VAL A 40 -0.223 -5.267 4.076 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.339 -6.102 5.846 1.00 0.00 C ATOM 0 H VAL A 40 -0.545 -4.929 7.269 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.039 -6.734 5.477 1.00 0.00 H new ATOM 0 HB VAL A 40 0.172 -7.311 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.626 -5.172 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.118 -5.509 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.374 -4.325 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.164 -5.996 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.233 -5.183 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.544 -6.932 6.522 1.00 0.00 H new ATOM 386 N ALA A 41 -1.058 -8.919 6.481 1.00 0.00 N ATOM 387 CA ALA A 41 -0.843 -10.124 7.274 1.00 0.00 C ATOM 388 C ALA A 41 0.285 -10.973 6.693 1.00 0.00 C ATOM 389 O ALA A 41 0.864 -10.632 5.663 1.00 0.00 O ATOM 390 CB ALA A 41 -2.127 -10.935 7.362 1.00 0.00 C ATOM 0 H ALA A 41 -1.358 -9.094 5.522 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.550 -9.819 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.951 -11.831 7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.905 -10.334 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.446 -11.221 6.360 1.00 0.00 H new ATOM 396 N ASP A 42 0.593 -12.079 7.363 1.00 0.00 N ATOM 397 CA ASP A 42 1.652 -12.976 6.912 1.00 0.00 C ATOM 398 C ASP A 42 1.101 -14.055 5.985 1.00 0.00 C ATOM 399 O ASP A 42 -0.101 -14.318 5.967 1.00 0.00 O ATOM 400 CB ASP A 42 2.345 -13.624 8.112 1.00 0.00 C ATOM 401 CG ASP A 42 3.835 -13.802 7.895 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.418 -13.014 7.121 1.00 0.00 O ATOM 403 OD2 ASP A 42 4.417 -14.728 8.497 1.00 0.00 O ATOM 0 H ASP A 42 0.125 -12.376 8.219 1.00 0.00 H new ATOM 0 HA ASP A 42 2.379 -12.384 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.181 -13.010 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.891 -14.595 8.309 1.00 0.00 H new ATOM 408 N GLY A 43 1.992 -14.676 5.218 1.00 0.00 N ATOM 409 CA GLY A 43 1.583 -15.723 4.297 1.00 0.00 C ATOM 410 C GLY A 43 2.152 -17.076 4.677 1.00 0.00 C ATOM 411 O GLY A 43 3.357 -17.211 4.891 1.00 0.00 O ATOM 0 H GLY A 43 2.992 -14.473 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.495 -15.781 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.907 -15.465 3.289 1.00 0.00 H new ATOM 415 N LEU A 44 1.285 -18.078 4.764 1.00 0.00 N ATOM 416 CA LEU A 44 1.710 -19.425 5.125 1.00 0.00 C ATOM 417 C LEU A 44 1.977 -20.271 3.892 1.00 0.00 C ATOM 418 O LEU A 44 3.073 -20.799 3.704 1.00 0.00 O ATOM 419 CB LEU A 44 0.653 -20.096 6.008 1.00 0.00 C ATOM 420 CG LEU A 44 1.176 -20.656 7.332 1.00 0.00 C ATOM 421 CD1 LEU A 44 2.343 -21.601 7.088 1.00 0.00 C ATOM 422 CD2 LEU A 44 1.588 -19.525 8.262 1.00 0.00 C ATOM 0 H LEU A 44 0.284 -17.983 4.590 1.00 0.00 H new ATOM 0 HA LEU A 44 2.642 -19.343 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.132 -19.371 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.193 -20.907 5.444 1.00 0.00 H new ATOM 0 HG LEU A 44 0.374 -21.219 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.702 -21.990 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.016 -22.429 6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.149 -21.063 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.958 -19.941 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.375 -18.935 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.727 -18.887 8.463 1.00 0.00 H new ATOM 434 N LEU A 45 0.957 -20.402 3.065 1.00 0.00 N ATOM 435 CA LEU A 45 1.054 -21.195 1.844 1.00 0.00 C ATOM 436 C LEU A 45 1.668 -20.395 0.703 1.00 0.00 C ATOM 437 O LEU A 45 2.514 -20.894 -0.039 1.00 0.00 O ATOM 438 CB LEU A 45 -0.327 -21.712 1.434 1.00 0.00 C ATOM 439 CG LEU A 45 -1.000 -22.634 2.456 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.380 -22.108 2.827 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.101 -24.052 1.912 1.00 0.00 C ATOM 0 H LEU A 45 0.046 -19.969 3.214 1.00 0.00 H new ATOM 0 HA LEU A 45 1.709 -22.041 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.979 -20.858 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.233 -22.248 0.490 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.385 -22.652 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.841 -22.777 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.286 -21.112 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.003 -22.058 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.582 -24.692 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.692 -24.049 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.102 -24.432 1.698 1.00 0.00 H new ATOM 453 N GLU A 46 1.229 -19.158 0.571 1.00 0.00 N ATOM 454 CA GLU A 46 1.722 -18.274 -0.482 1.00 0.00 C ATOM 455 C GLU A 46 2.976 -17.515 -0.044 1.00 0.00 C ATOM 456 O GLU A 46 3.421 -16.602 -0.739 1.00 0.00 O ATOM 457 CB GLU A 46 0.635 -17.280 -0.897 1.00 0.00 C ATOM 458 CG GLU A 46 -0.759 -17.887 -0.955 1.00 0.00 C ATOM 459 CD GLU A 46 -1.566 -17.385 -2.135 1.00 0.00 C ATOM 460 OE1 GLU A 46 -0.984 -17.234 -3.231 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.779 -17.142 -1.966 1.00 0.00 O ATOM 0 H GLU A 46 0.528 -18.736 1.180 1.00 0.00 H new ATOM 0 HA GLU A 46 1.986 -18.900 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.630 -16.447 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.884 -16.870 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.676 -18.972 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.290 -17.656 -0.032 1.00 0.00 H new ATOM 468 N LYS A 47 3.541 -17.902 1.105 1.00 0.00 N ATOM 469 CA LYS A 47 4.748 -17.266 1.648 1.00 0.00 C ATOM 470 C LYS A 47 4.880 -15.807 1.209 1.00 0.00 C ATOM 471 O LYS A 47 5.453 -15.512 0.160 1.00 0.00 O ATOM 472 CB LYS A 47 5.991 -18.052 1.221 1.00 0.00 C ATOM 473 CG LYS A 47 6.661 -18.796 2.365 1.00 0.00 C ATOM 474 CD LYS A 47 7.324 -17.836 3.340 1.00 0.00 C ATOM 475 CE LYS A 47 8.384 -18.534 4.177 1.00 0.00 C ATOM 476 NZ LYS A 47 9.762 -18.194 3.726 1.00 0.00 N ATOM 0 H LYS A 47 3.178 -18.660 1.682 1.00 0.00 H new ATOM 0 HA LYS A 47 4.660 -17.275 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.711 -18.767 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.710 -17.365 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.921 -19.398 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.406 -19.484 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.778 -17.013 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.569 -17.403 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.265 -18.251 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.239 -19.613 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.455 -18.690 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.885 -18.487 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.910 -17.168 3.805 1.00 0.00 H new ATOM 490 N GLY A 48 4.349 -14.900 2.022 1.00 0.00 N ATOM 491 CA GLY A 48 4.417 -13.486 1.703 1.00 0.00 C ATOM 492 C GLY A 48 3.566 -12.641 2.631 1.00 0.00 C ATOM 493 O GLY A 48 3.325 -13.021 3.777 1.00 0.00 O ATOM 0 H GLY A 48 3.872 -15.119 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.453 -13.153 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.090 -13.332 0.675 1.00 0.00 H new ATOM 497 N VAL A 49 3.109 -11.494 2.138 1.00 0.00 N ATOM 498 CA VAL A 49 2.279 -10.600 2.934 1.00 0.00 C ATOM 499 C VAL A 49 1.198 -9.949 2.078 1.00 0.00 C ATOM 500 O VAL A 49 1.454 -9.537 0.946 1.00 0.00 O ATOM 501 CB VAL A 49 3.124 -9.502 3.610 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.251 -8.587 4.460 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.230 -10.120 4.453 1.00 0.00 C ATOM 0 H VAL A 49 3.300 -11.163 1.192 1.00 0.00 H new ATOM 0 HA VAL A 49 1.807 -11.207 3.707 1.00 0.00 H new ATOM 0 HB VAL A 49 3.583 -8.899 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.872 -7.821 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.500 -8.111 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.756 -9.173 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.815 -9.329 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.790 -10.752 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.878 -10.723 3.817 1.00 0.00 H new ATOM 513 N TYR A 50 -0.008 -9.859 2.626 1.00 0.00 N ATOM 514 CA TYR A 50 -1.132 -9.258 1.912 1.00 0.00 C ATOM 515 C TYR A 50 -1.932 -8.351 2.841 1.00 0.00 C ATOM 516 O TYR A 50 -1.742 -8.370 4.056 1.00 0.00 O ATOM 517 CB TYR A 50 -2.044 -10.341 1.324 1.00 0.00 C ATOM 518 CG TYR A 50 -1.482 -11.740 1.432 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.387 -12.128 0.671 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.042 -12.667 2.301 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.134 -13.403 0.772 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.526 -13.944 2.407 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.440 -14.307 1.641 1.00 0.00 C ATOM 524 OH TYR A 50 0.075 -15.580 1.748 1.00 0.00 O ATOM 0 H TYR A 50 -0.234 -10.194 3.562 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.731 -8.659 1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.007 -10.307 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.230 -10.115 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.064 -11.422 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.893 -12.385 2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.986 -13.690 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.972 -14.655 3.087 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.659 -16.224 1.826 1.00 0.00 H new ATOM 534 N VAL A 51 -2.825 -7.555 2.264 1.00 0.00 N ATOM 535 CA VAL A 51 -3.649 -6.642 3.043 1.00 0.00 C ATOM 536 C VAL A 51 -4.706 -7.395 3.847 1.00 0.00 C ATOM 537 O VAL A 51 -5.527 -8.123 3.289 1.00 0.00 O ATOM 538 CB VAL A 51 -4.344 -5.605 2.141 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.140 -4.610 2.975 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.323 -4.887 1.276 1.00 0.00 C ATOM 0 H VAL A 51 -2.996 -7.524 1.259 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.980 -6.124 3.731 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.041 -6.130 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.622 -3.887 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.899 -5.141 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.469 -4.088 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.830 -4.158 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.601 -4.376 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.804 -5.612 0.649 1.00 0.00 H new ATOM 550 N LYS A 52 -4.674 -7.210 5.162 1.00 0.00 N ATOM 551 CA LYS A 52 -5.622 -7.864 6.055 1.00 0.00 C ATOM 552 C LYS A 52 -6.867 -7.007 6.243 1.00 0.00 C ATOM 553 O LYS A 52 -7.972 -7.522 6.419 1.00 0.00 O ATOM 554 CB LYS A 52 -4.954 -8.145 7.407 1.00 0.00 C ATOM 555 CG LYS A 52 -5.913 -8.595 8.501 1.00 0.00 C ATOM 556 CD LYS A 52 -5.839 -10.097 8.725 1.00 0.00 C ATOM 557 CE LYS A 52 -5.916 -10.444 10.203 1.00 0.00 C ATOM 558 NZ LYS A 52 -6.474 -11.806 10.426 1.00 0.00 N ATOM 0 H LYS A 52 -3.998 -6.610 5.634 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.929 -8.809 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.193 -8.913 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.441 -7.243 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.676 -8.076 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.931 -8.316 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.655 -10.586 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.909 -10.483 8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.920 -10.383 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.536 -9.709 10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.510 -12.004 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.434 -11.857 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.868 -12.510 9.958 1.00 0.00 H new ATOM 572 N ASN A 53 -6.676 -5.699 6.208 1.00 0.00 N ATOM 573 CA ASN A 53 -7.780 -4.760 6.377 1.00 0.00 C ATOM 574 C ASN A 53 -7.383 -3.357 5.932 1.00 0.00 C ATOM 575 O ASN A 53 -6.205 -2.998 5.952 1.00 0.00 O ATOM 576 CB ASN A 53 -8.234 -4.735 7.839 1.00 0.00 C ATOM 577 CG ASN A 53 -7.136 -4.273 8.776 1.00 0.00 C ATOM 578 OD1 ASN A 53 -7.043 -3.090 9.106 1.00 0.00 O ATOM 579 ND2 ASN A 53 -6.296 -5.207 9.210 1.00 0.00 N ATOM 0 H ASN A 53 -5.767 -5.260 6.064 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.606 -5.096 5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.095 -4.074 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.562 -5.732 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.536 -4.956 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.411 -6.175 8.910 1.00 0.00 H new ATOM 586 N ILE A 54 -8.375 -2.569 5.529 1.00 0.00 N ATOM 587 CA ILE A 54 -8.135 -1.207 5.075 1.00 0.00 C ATOM 588 C ILE A 54 -9.083 -0.224 5.757 1.00 0.00 C ATOM 589 O ILE A 54 -10.287 -0.465 5.843 1.00 0.00 O ATOM 590 CB ILE A 54 -8.306 -1.100 3.549 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.452 -2.172 2.849 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.951 0.304 3.072 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.625 -1.661 1.686 1.00 0.00 C ATOM 0 H ILE A 54 -9.354 -2.853 5.508 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.109 -0.953 5.341 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.349 -1.280 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.783 -2.621 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.109 -2.964 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.077 0.364 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.607 1.029 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.915 0.525 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.056 -2.485 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.285 -1.239 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.938 -0.891 2.038 1.00 0.00 H new ATOM 605 N ARG A 55 -8.530 0.886 6.238 1.00 0.00 N ATOM 606 CA ARG A 55 -9.325 1.907 6.913 1.00 0.00 C ATOM 607 C ARG A 55 -10.307 2.564 5.942 1.00 0.00 C ATOM 608 O ARG A 55 -9.911 3.043 4.880 1.00 0.00 O ATOM 609 CB ARG A 55 -8.410 2.970 7.524 1.00 0.00 C ATOM 610 CG ARG A 55 -7.800 2.556 8.853 1.00 0.00 C ATOM 611 CD ARG A 55 -7.671 3.738 9.802 1.00 0.00 C ATOM 612 NE ARG A 55 -8.421 3.531 11.040 1.00 0.00 N ATOM 613 CZ ARG A 55 -7.992 2.779 12.051 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.820 2.160 11.976 1.00 0.00 N ATOM 615 NH2 ARG A 55 -8.737 2.644 13.139 1.00 0.00 N ATOM 0 H ARG A 55 -7.535 1.101 6.173 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.894 1.424 7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.609 3.196 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.978 3.889 7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.418 1.785 9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.817 2.117 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.619 3.900 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.030 4.641 9.308 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.327 3.990 11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.243 2.259 11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.496 1.585 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.639 3.116 13.201 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.408 2.068 13.914 1.00 0.00 H new ATOM 629 N PRO A 56 -11.608 2.598 6.293 1.00 0.00 N ATOM 630 CA PRO A 56 -12.638 3.202 5.439 1.00 0.00 C ATOM 631 C PRO A 56 -12.357 4.671 5.138 1.00 0.00 C ATOM 632 O PRO A 56 -12.378 5.512 6.036 1.00 0.00 O ATOM 633 CB PRO A 56 -13.921 3.070 6.266 1.00 0.00 C ATOM 634 CG PRO A 56 -13.645 1.974 7.238 1.00 0.00 C ATOM 635 CD PRO A 56 -12.175 2.053 7.538 1.00 0.00 C ATOM 0 HA PRO A 56 -12.689 2.712 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.157 4.002 6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.775 2.830 5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.236 2.098 8.145 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.907 1.003 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.972 2.701 8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.759 1.074 7.775 1.00 0.00 H new ATOM 643 N ALA A 57 -12.093 4.969 3.863 1.00 0.00 N ATOM 644 CA ALA A 57 -11.807 6.335 3.417 1.00 0.00 C ATOM 645 C ALA A 57 -10.327 6.683 3.557 1.00 0.00 C ATOM 646 O ALA A 57 -9.860 7.672 2.991 1.00 0.00 O ATOM 647 CB ALA A 57 -12.664 7.348 4.167 1.00 0.00 C ATOM 0 H ALA A 57 -12.071 4.275 3.115 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.060 6.382 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.431 8.353 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.718 7.137 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.457 7.280 5.235 1.00 0.00 H new ATOM 653 N GLY A 58 -9.589 5.872 4.310 1.00 0.00 N ATOM 654 CA GLY A 58 -8.172 6.126 4.500 1.00 0.00 C ATOM 655 C GLY A 58 -7.397 6.080 3.196 1.00 0.00 C ATOM 656 O GLY A 58 -7.985 5.905 2.129 1.00 0.00 O ATOM 0 H GLY A 58 -9.946 5.046 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.040 7.103 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.762 5.388 5.189 1.00 0.00 H new ATOM 660 N PRO A 59 -6.062 6.231 3.250 1.00 0.00 N ATOM 661 CA PRO A 59 -5.217 6.200 2.054 1.00 0.00 C ATOM 662 C PRO A 59 -5.352 4.885 1.293 1.00 0.00 C ATOM 663 O PRO A 59 -5.252 4.852 0.067 1.00 0.00 O ATOM 664 CB PRO A 59 -3.792 6.365 2.600 1.00 0.00 C ATOM 665 CG PRO A 59 -3.887 6.048 4.053 1.00 0.00 C ATOM 666 CD PRO A 59 -5.274 6.439 4.475 1.00 0.00 C ATOM 0 HA PRO A 59 -5.495 6.976 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.098 5.693 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.426 7.379 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.709 4.988 4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.137 6.598 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.635 5.821 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.317 7.475 4.812 1.00 0.00 H new ATOM 674 N GLY A 60 -5.587 3.804 2.030 1.00 0.00 N ATOM 675 CA GLY A 60 -5.738 2.503 1.407 1.00 0.00 C ATOM 676 C GLY A 60 -6.956 2.433 0.509 1.00 0.00 C ATOM 677 O GLY A 60 -6.912 1.834 -0.565 1.00 0.00 O ATOM 0 H GLY A 60 -5.675 3.806 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.846 2.276 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.815 1.739 2.181 1.00 0.00 H new ATOM 681 N ASP A 61 -8.044 3.058 0.944 1.00 0.00 N ATOM 682 CA ASP A 61 -9.275 3.075 0.168 1.00 0.00 C ATOM 683 C ASP A 61 -9.127 4.010 -1.023 1.00 0.00 C ATOM 684 O ASP A 61 -9.700 3.776 -2.088 1.00 0.00 O ATOM 685 CB ASP A 61 -10.451 3.516 1.044 1.00 0.00 C ATOM 686 CG ASP A 61 -11.589 2.514 1.029 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.970 2.066 -0.073 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.098 2.177 2.118 1.00 0.00 O ATOM 0 H ASP A 61 -8.097 3.559 1.831 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.473 2.067 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.106 3.655 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.817 4.483 0.697 1.00 0.00 H new ATOM 693 N LEU A 62 -8.348 5.069 -0.834 1.00 0.00 N ATOM 694 CA LEU A 62 -8.116 6.043 -1.889 1.00 0.00 C ATOM 695 C LEU A 62 -7.154 5.490 -2.936 1.00 0.00 C ATOM 696 O LEU A 62 -7.286 5.776 -4.126 1.00 0.00 O ATOM 697 CB LEU A 62 -7.560 7.341 -1.301 1.00 0.00 C ATOM 698 CG LEU A 62 -8.478 8.049 -0.305 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.755 9.211 0.357 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.743 8.533 -0.999 1.00 0.00 C ATOM 0 H LEU A 62 -7.867 5.273 0.042 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.070 6.253 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.614 7.121 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.340 8.027 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.760 7.336 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.425 9.702 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.879 8.839 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.442 9.926 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.386 9.035 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.478 9.230 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.273 7.681 -1.425 1.00 0.00 H new ATOM 712 N GLY A 63 -6.188 4.697 -2.483 1.00 0.00 N ATOM 713 CA GLY A 63 -5.218 4.116 -3.392 1.00 0.00 C ATOM 714 C GLY A 63 -5.831 3.066 -4.298 1.00 0.00 C ATOM 715 O GLY A 63 -5.771 3.182 -5.523 1.00 0.00 O ATOM 0 H GLY A 63 -6.060 4.447 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.777 4.905 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.408 3.667 -2.817 1.00 0.00 H new ATOM 719 N GLY A 64 -6.423 2.039 -3.696 1.00 0.00 N ATOM 720 CA GLY A 64 -7.042 0.981 -4.473 1.00 0.00 C ATOM 721 C GLY A 64 -6.524 -0.396 -4.106 1.00 0.00 C ATOM 722 O GLY A 64 -6.268 -1.223 -4.980 1.00 0.00 O ATOM 0 H GLY A 64 -6.485 1.921 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.121 1.010 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.862 1.162 -5.533 1.00 0.00 H new ATOM 726 N LEU A 65 -6.370 -0.645 -2.809 1.00 0.00 N ATOM 727 CA LEU A 65 -5.882 -1.934 -2.332 1.00 0.00 C ATOM 728 C LEU A 65 -7.020 -2.766 -1.752 1.00 0.00 C ATOM 729 O LEU A 65 -7.710 -2.335 -0.827 1.00 0.00 O ATOM 730 CB LEU A 65 -4.793 -1.738 -1.274 1.00 0.00 C ATOM 731 CG LEU A 65 -3.763 -0.652 -1.595 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.899 0.515 -0.632 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.352 -1.221 -1.549 1.00 0.00 C ATOM 0 H LEU A 65 -6.576 0.028 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.459 -2.467 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.270 -1.495 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.269 -2.684 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.953 -0.288 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.158 1.277 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.899 0.941 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.737 0.166 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.634 -0.434 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.151 -1.615 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.259 -2.023 -2.281 1.00 0.00 H new ATOM 745 N LYS A 66 -7.211 -3.961 -2.300 1.00 0.00 N ATOM 746 CA LYS A 66 -8.266 -4.855 -1.834 1.00 0.00 C ATOM 747 C LYS A 66 -7.680 -6.006 -1.020 1.00 0.00 C ATOM 748 O LYS A 66 -6.483 -6.286 -1.097 1.00 0.00 O ATOM 749 CB LYS A 66 -9.056 -5.404 -3.024 1.00 0.00 C ATOM 750 CG LYS A 66 -10.383 -4.695 -3.252 1.00 0.00 C ATOM 751 CD LYS A 66 -10.575 -4.320 -4.714 1.00 0.00 C ATOM 752 CE LYS A 66 -10.356 -2.833 -4.941 1.00 0.00 C ATOM 753 NZ LYS A 66 -11.640 -2.079 -4.961 1.00 0.00 N ATOM 0 H LYS A 66 -6.650 -4.333 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.938 -4.286 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.448 -5.318 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.243 -6.466 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.201 -5.340 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.426 -3.796 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.880 -4.890 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.581 -4.593 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.714 -2.436 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.832 -2.683 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.447 -1.069 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.243 -2.440 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.128 -2.201 -4.051 1.00 0.00 H new ATOM 767 N PRO A 67 -8.519 -6.693 -0.224 1.00 0.00 N ATOM 768 CA PRO A 67 -8.087 -7.819 0.606 1.00 0.00 C ATOM 769 C PRO A 67 -7.264 -8.833 -0.183 1.00 0.00 C ATOM 770 O PRO A 67 -7.598 -9.160 -1.322 1.00 0.00 O ATOM 771 CB PRO A 67 -9.403 -8.452 1.091 1.00 0.00 C ATOM 772 CG PRO A 67 -10.488 -7.782 0.313 1.00 0.00 C ATOM 773 CD PRO A 67 -9.955 -6.434 -0.072 1.00 0.00 C ATOM 0 HA PRO A 67 -7.440 -7.494 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.406 -9.528 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.539 -8.300 2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.750 -8.364 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.394 -7.686 0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.402 -6.070 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.154 -5.685 0.694 1.00 0.00 H new ATOM 781 N TYR A 68 -6.184 -9.315 0.432 1.00 0.00 N ATOM 782 CA TYR A 68 -5.286 -10.291 -0.192 1.00 0.00 C ATOM 783 C TYR A 68 -4.236 -9.599 -1.059 1.00 0.00 C ATOM 784 O TYR A 68 -3.370 -10.255 -1.638 1.00 0.00 O ATOM 785 CB TYR A 68 -6.062 -11.322 -1.020 1.00 0.00 C ATOM 786 CG TYR A 68 -7.191 -11.974 -0.256 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.928 -12.825 0.810 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.517 -11.738 -0.596 1.00 0.00 C ATOM 789 CE1 TYR A 68 -7.954 -13.423 1.514 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.549 -12.332 0.103 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.262 -13.174 1.159 1.00 0.00 C ATOM 792 OH TYR A 68 -10.288 -13.767 1.858 1.00 0.00 O ATOM 0 H TYR A 68 -5.906 -9.042 1.375 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.776 -10.819 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.467 -10.835 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.373 -12.093 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.904 -13.022 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.745 -11.079 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.732 -14.083 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.575 -12.139 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.147 -13.485 1.480 1.00 0.00 H new ATOM 802 N ASP A 69 -4.314 -8.271 -1.138 1.00 0.00 N ATOM 803 CA ASP A 69 -3.369 -7.484 -1.922 1.00 0.00 C ATOM 804 C ASP A 69 -1.935 -7.816 -1.530 1.00 0.00 C ATOM 805 O ASP A 69 -1.356 -7.180 -0.648 1.00 0.00 O ATOM 806 CB ASP A 69 -3.637 -5.991 -1.726 1.00 0.00 C ATOM 807 CG ASP A 69 -4.427 -5.389 -2.871 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.341 -6.068 -3.382 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.131 -4.238 -3.254 1.00 0.00 O ATOM 0 H ASP A 69 -5.028 -7.717 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.504 -7.733 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.183 -5.842 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.688 -5.464 -1.627 1.00 0.00 H new ATOM 814 N ARG A 70 -1.373 -8.823 -2.182 1.00 0.00 N ATOM 815 CA ARG A 70 -0.014 -9.254 -1.901 1.00 0.00 C ATOM 816 C ARG A 70 1.002 -8.301 -2.522 1.00 0.00 C ATOM 817 O ARG A 70 1.258 -8.347 -3.725 1.00 0.00 O ATOM 818 CB ARG A 70 0.195 -10.672 -2.429 1.00 0.00 C ATOM 819 CG ARG A 70 1.606 -11.201 -2.225 1.00 0.00 C ATOM 820 CD ARG A 70 1.701 -12.680 -2.562 1.00 0.00 C ATOM 821 NE ARG A 70 1.551 -12.925 -3.995 1.00 0.00 N ATOM 822 CZ ARG A 70 1.812 -14.093 -4.578 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.238 -15.123 -3.856 1.00 0.00 N ATOM 824 NH2 ARG A 70 1.650 -14.231 -5.886 1.00 0.00 N ATOM 0 H ARG A 70 -1.841 -9.359 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 70 0.137 -9.246 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.509 -11.341 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.040 -10.692 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.300 -10.639 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.909 -11.042 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.663 -13.067 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.930 -13.226 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 70 1.228 -12.156 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.367 -15.022 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.436 -16.016 -4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.325 -13.442 -6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.850 -15.126 -6.333 1.00 0.00 H new ATOM 838 N LEU A 71 1.578 -7.438 -1.689 1.00 0.00 N ATOM 839 CA LEU A 71 2.569 -6.471 -2.150 1.00 0.00 C ATOM 840 C LEU A 71 3.730 -7.174 -2.847 1.00 0.00 C ATOM 841 O LEU A 71 4.465 -7.939 -2.222 1.00 0.00 O ATOM 842 CB LEU A 71 3.093 -5.653 -0.970 1.00 0.00 C ATOM 843 CG LEU A 71 2.012 -4.978 -0.119 1.00 0.00 C ATOM 844 CD1 LEU A 71 2.102 -5.439 1.328 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.131 -3.464 -0.206 1.00 0.00 C ATOM 0 H LEU A 71 1.375 -7.389 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 71 2.088 -5.804 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.684 -6.306 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.767 -4.885 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 71 1.037 -5.269 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.326 -4.948 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.964 -6.519 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.081 -5.180 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.355 -3.002 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.111 -3.155 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.012 -3.149 -1.243 1.00 0.00 H new ATOM 857 N LEU A 72 3.888 -6.917 -4.141 1.00 0.00 N ATOM 858 CA LEU A 72 4.962 -7.536 -4.906 1.00 0.00 C ATOM 859 C LEU A 72 6.274 -6.779 -4.724 1.00 0.00 C ATOM 860 O LEU A 72 7.242 -7.315 -4.183 1.00 0.00 O ATOM 861 CB LEU A 72 4.603 -7.611 -6.393 1.00 0.00 C ATOM 862 CG LEU A 72 3.358 -8.441 -6.748 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.548 -9.122 -8.095 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.044 -9.483 -5.679 1.00 0.00 C ATOM 0 H LEU A 72 3.290 -6.289 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 72 5.092 -8.550 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.455 -6.596 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.456 -8.025 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 72 2.512 -7.755 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.660 -9.707 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.705 -8.367 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.415 -9.781 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.158 -10.047 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.889 -10.164 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.861 -8.984 -4.727 1.00 0.00 H new ATOM 876 N GLN A 73 6.305 -5.531 -5.183 1.00 0.00 N ATOM 877 CA GLN A 73 7.504 -4.709 -5.072 1.00 0.00 C ATOM 878 C GLN A 73 7.171 -3.318 -4.546 1.00 0.00 C ATOM 879 O GLN A 73 6.561 -2.508 -5.244 1.00 0.00 O ATOM 880 CB GLN A 73 8.200 -4.600 -6.430 1.00 0.00 C ATOM 881 CG GLN A 73 7.266 -4.208 -7.563 1.00 0.00 C ATOM 882 CD GLN A 73 7.936 -3.318 -8.591 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.389 -2.289 -8.989 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.126 -3.711 -9.027 1.00 0.00 N ATOM 0 H GLN A 73 5.516 -5.069 -5.634 1.00 0.00 H new ATOM 0 HA GLN A 73 8.176 -5.191 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.001 -3.864 -6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.665 -5.557 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.898 -5.109 -8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.399 -3.692 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.542 -4.571 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.625 -3.153 -9.720 1.00 0.00 H new ATOM 893 N VAL A 74 7.581 -3.047 -3.312 1.00 0.00 N ATOM 894 CA VAL A 74 7.332 -1.752 -2.693 1.00 0.00 C ATOM 895 C VAL A 74 8.468 -0.779 -2.991 1.00 0.00 C ATOM 896 O VAL A 74 9.630 -1.061 -2.702 1.00 0.00 O ATOM 897 CB VAL A 74 7.171 -1.880 -1.167 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.738 -0.553 -0.560 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.176 -2.981 -0.826 1.00 0.00 C ATOM 0 H VAL A 74 8.087 -3.707 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 74 6.404 -1.370 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 74 8.137 -2.149 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.630 -0.664 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.490 0.207 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.784 -0.250 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.075 -3.057 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.207 -2.744 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.533 -3.930 -1.225 1.00 0.00 H new ATOM 909 N ASN A 75 8.122 0.365 -3.575 1.00 0.00 N ATOM 910 CA ASN A 75 9.110 1.386 -3.919 1.00 0.00 C ATOM 911 C ASN A 75 10.332 0.773 -4.607 1.00 0.00 C ATOM 912 O ASN A 75 11.466 1.175 -4.347 1.00 0.00 O ATOM 913 CB ASN A 75 9.542 2.147 -2.663 1.00 0.00 C ATOM 914 CG ASN A 75 8.686 3.372 -2.407 1.00 0.00 C ATOM 915 OD1 ASN A 75 8.844 4.402 -3.062 1.00 0.00 O ATOM 916 ND2 ASN A 75 7.771 3.266 -1.451 1.00 0.00 N ATOM 0 H ASN A 75 7.163 0.610 -3.821 1.00 0.00 H new ATOM 0 HA ASN A 75 8.643 2.080 -4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.487 1.482 -1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.584 2.450 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.165 4.058 -1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.674 2.393 -0.932 1.00 0.00 H new ATOM 923 N HIS A 76 10.084 -0.200 -5.487 1.00 0.00 N ATOM 924 CA HIS A 76 11.147 -0.882 -6.235 1.00 0.00 C ATOM 925 C HIS A 76 11.709 -2.076 -5.463 1.00 0.00 C ATOM 926 O HIS A 76 12.292 -2.984 -6.054 1.00 0.00 O ATOM 927 CB HIS A 76 12.280 0.086 -6.595 1.00 0.00 C ATOM 928 CG HIS A 76 12.835 -0.131 -7.970 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.221 -1.368 -8.441 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.070 0.743 -8.977 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.668 -1.247 -9.678 1.00 0.00 C ATOM 932 NE2 HIS A 76 13.586 0.023 -10.028 1.00 0.00 N ATOM 0 H HIS A 76 9.146 -0.537 -5.702 1.00 0.00 H new ATOM 0 HA HIS A 76 10.696 -1.254 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.912 1.109 -6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.084 -0.020 -5.866 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.169 -2.241 -7.916 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.886 1.807 -8.958 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.038 -2.051 -10.298 1.00 0.00 H new ATOM 941 N VAL A 77 11.534 -2.073 -4.144 1.00 0.00 N ATOM 942 CA VAL A 77 12.030 -3.161 -3.309 1.00 0.00 C ATOM 943 C VAL A 77 11.062 -4.339 -3.308 1.00 0.00 C ATOM 944 O VAL A 77 9.866 -4.169 -3.079 1.00 0.00 O ATOM 945 CB VAL A 77 12.256 -2.698 -1.857 1.00 0.00 C ATOM 946 CG1 VAL A 77 12.945 -3.786 -1.049 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.065 -1.409 -1.827 1.00 0.00 C ATOM 0 H VAL A 77 11.054 -1.332 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 77 12.983 -3.476 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 77 11.284 -2.502 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.096 -3.440 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.324 -4.682 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 77 13.910 -4.018 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.215 -1.097 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.033 -1.576 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.527 -0.629 -2.367 1.00 0.00 H new ATOM 957 N ARG A 78 11.586 -5.532 -3.568 1.00 0.00 N ATOM 958 CA ARG A 78 10.766 -6.736 -3.598 1.00 0.00 C ATOM 959 C ARG A 78 10.268 -7.089 -2.201 1.00 0.00 C ATOM 960 O ARG A 78 11.028 -7.054 -1.233 1.00 0.00 O ATOM 961 CB ARG A 78 11.563 -7.907 -4.179 1.00 0.00 C ATOM 962 CG ARG A 78 12.081 -7.650 -5.584 1.00 0.00 C ATOM 963 CD ARG A 78 12.673 -8.910 -6.199 1.00 0.00 C ATOM 964 NE ARG A 78 13.895 -9.330 -5.517 1.00 0.00 N ATOM 965 CZ ARG A 78 14.428 -10.543 -5.633 1.00 0.00 C ATOM 966 NH1 ARG A 78 13.852 -11.459 -6.401 1.00 0.00 N ATOM 967 NH2 ARG A 78 15.542 -10.842 -4.978 1.00 0.00 N ATOM 0 H ARG A 78 12.575 -5.690 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 78 9.902 -6.542 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.406 -8.123 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.932 -8.796 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.268 -7.285 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.839 -6.867 -5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.939 -9.714 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.889 -8.732 -7.253 1.00 0.00 H new ATOM 0 HE ARG A 78 14.367 -8.653 -4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.995 -11.235 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.266 -12.387 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.989 -10.142 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.952 -11.772 -5.066 1.00 0.00 H new ATOM 981 N THR A 79 8.986 -7.428 -2.101 1.00 0.00 N ATOM 982 CA THR A 79 8.387 -7.786 -0.821 1.00 0.00 C ATOM 983 C THR A 79 7.336 -8.877 -0.994 1.00 0.00 C ATOM 984 O THR A 79 6.372 -8.950 -0.232 1.00 0.00 O ATOM 985 CB THR A 79 7.760 -6.554 -0.168 1.00 0.00 C ATOM 986 OG1 THR A 79 6.603 -6.146 -0.876 1.00 0.00 O ATOM 987 CG2 THR A 79 8.699 -5.370 -0.100 1.00 0.00 C ATOM 0 H THR A 79 8.343 -7.462 -2.892 1.00 0.00 H new ATOM 0 HA THR A 79 9.176 -8.171 -0.175 1.00 0.00 H new ATOM 0 HB THR A 79 7.513 -6.859 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.910 -5.872 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.192 -4.530 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.580 -5.638 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.003 -5.088 -1.108 1.00 0.00 H new ATOM 995 N ARG A 80 7.528 -9.725 -1.998 1.00 0.00 N ATOM 996 CA ARG A 80 6.596 -10.814 -2.269 1.00 0.00 C ATOM 997 C ARG A 80 6.728 -11.911 -1.217 1.00 0.00 C ATOM 998 O ARG A 80 5.745 -12.312 -0.596 1.00 0.00 O ATOM 999 CB ARG A 80 6.847 -11.393 -3.662 1.00 0.00 C ATOM 1000 CG ARG A 80 6.495 -10.437 -4.790 1.00 0.00 C ATOM 1001 CD ARG A 80 7.245 -10.769 -6.073 1.00 0.00 C ATOM 1002 NE ARG A 80 7.393 -12.210 -6.274 1.00 0.00 N ATOM 1003 CZ ARG A 80 8.463 -12.911 -5.899 1.00 0.00 C ATOM 1004 NH1 ARG A 80 9.479 -12.317 -5.284 1.00 0.00 N ATOM 1005 NH2 ARG A 80 8.514 -14.215 -6.135 1.00 0.00 N ATOM 0 H ARG A 80 8.321 -9.680 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 80 5.583 -10.414 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.897 -11.671 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.265 -12.307 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.422 -10.476 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.729 -9.416 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.715 -10.339 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.231 -10.305 -6.045 1.00 0.00 H new ATOM 0 HE ARG A 80 6.630 -12.710 -6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.445 -11.315 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.293 -12.862 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.736 -14.679 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.332 -14.753 -5.849 1.00 0.00 H new ATOM 1019 N ASP A 81 7.954 -12.389 -1.021 1.00 0.00 N ATOM 1020 CA ASP A 81 8.219 -13.436 -0.041 1.00 0.00 C ATOM 1021 C ASP A 81 8.623 -12.840 1.307 1.00 0.00 C ATOM 1022 O ASP A 81 9.254 -13.506 2.127 1.00 0.00 O ATOM 1023 CB ASP A 81 9.318 -14.372 -0.551 1.00 0.00 C ATOM 1024 CG ASP A 81 8.797 -15.763 -0.858 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.721 -16.589 0.076 1.00 0.00 O ATOM 1026 OD2 ASP A 81 8.464 -16.026 -2.033 1.00 0.00 O ATOM 0 H ASP A 81 8.779 -12.068 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 81 7.301 -14.006 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.764 -13.948 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.109 -14.440 0.196 1.00 0.00 H new ATOM 1031 N PHE A 82 8.254 -11.581 1.532 1.00 0.00 N ATOM 1032 CA PHE A 82 8.577 -10.898 2.776 1.00 0.00 C ATOM 1033 C PHE A 82 7.591 -11.275 3.874 1.00 0.00 C ATOM 1034 O PHE A 82 6.561 -11.896 3.612 1.00 0.00 O ATOM 1035 CB PHE A 82 8.556 -9.382 2.568 1.00 0.00 C ATOM 1036 CG PHE A 82 9.876 -8.807 2.139 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.695 -9.493 1.255 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.295 -7.577 2.617 1.00 0.00 C ATOM 1039 CE1 PHE A 82 11.907 -8.962 0.859 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.506 -7.041 2.225 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.314 -7.734 1.345 1.00 0.00 C ATOM 0 H PHE A 82 7.730 -11.014 0.865 1.00 0.00 H new ATOM 0 HA PHE A 82 9.576 -11.208 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.804 -9.139 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.247 -8.902 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.382 -10.453 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.667 -7.030 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.536 -9.506 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.821 -6.081 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.262 -7.317 1.037 1.00 0.00 H new ATOM 1051 N ASP A 83 7.910 -10.887 5.101 1.00 0.00 N ATOM 1052 CA ASP A 83 7.048 -11.170 6.241 1.00 0.00 C ATOM 1053 C ASP A 83 6.380 -9.892 6.726 1.00 0.00 C ATOM 1054 O ASP A 83 6.868 -8.791 6.471 1.00 0.00 O ATOM 1055 CB ASP A 83 7.856 -11.805 7.375 1.00 0.00 C ATOM 1056 CG ASP A 83 8.111 -13.282 7.147 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.129 -14.046 7.046 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.295 -13.674 7.068 1.00 0.00 O ATOM 0 H ASP A 83 8.761 -10.374 5.333 1.00 0.00 H new ATOM 0 HA ASP A 83 6.276 -11.872 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.809 -11.286 7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.322 -11.672 8.316 1.00 0.00 H new ATOM 1063 N CYS A 84 5.260 -10.037 7.428 1.00 0.00 N ATOM 1064 CA CYS A 84 4.531 -8.885 7.943 1.00 0.00 C ATOM 1065 C CYS A 84 5.464 -7.959 8.716 1.00 0.00 C ATOM 1066 O CYS A 84 5.351 -6.738 8.635 1.00 0.00 O ATOM 1067 CB CYS A 84 3.383 -9.342 8.846 1.00 0.00 C ATOM 1068 SG CYS A 84 3.875 -10.523 10.123 1.00 0.00 S ATOM 0 H CYS A 84 4.839 -10.939 7.652 1.00 0.00 H new ATOM 0 HA CYS A 84 4.119 -8.336 7.096 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.942 -8.468 9.325 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.607 -9.793 8.228 1.00 0.00 H new ATOM 0 HG CYS A 84 2.838 -10.848 10.836 1.00 0.00 H new ATOM 1074 N CYS A 85 6.390 -8.552 9.461 1.00 0.00 N ATOM 1075 CA CYS A 85 7.345 -7.787 10.241 1.00 0.00 C ATOM 1076 C CYS A 85 8.303 -7.014 9.338 1.00 0.00 C ATOM 1077 O CYS A 85 8.911 -6.031 9.760 1.00 0.00 O ATOM 1078 CB CYS A 85 8.133 -8.710 11.173 1.00 0.00 C ATOM 1079 SG CYS A 85 8.591 -7.951 12.749 1.00 0.00 S ATOM 0 H CYS A 85 6.497 -9.563 9.539 1.00 0.00 H new ATOM 0 HA CYS A 85 6.787 -7.068 10.840 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.539 -9.602 11.371 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.039 -9.037 10.662 1.00 0.00 H new ATOM 0 HG CYS A 85 9.252 -8.809 13.468 1.00 0.00 H new ATOM 1085 N LEU A 86 8.433 -7.465 8.093 1.00 0.00 N ATOM 1086 CA LEU A 86 9.316 -6.814 7.129 1.00 0.00 C ATOM 1087 C LEU A 86 8.549 -5.772 6.317 1.00 0.00 C ATOM 1088 O LEU A 86 9.103 -4.745 5.916 1.00 0.00 O ATOM 1089 CB LEU A 86 9.933 -7.857 6.193 1.00 0.00 C ATOM 1090 CG LEU A 86 11.460 -7.939 6.233 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.933 -8.388 7.606 1.00 0.00 C ATOM 1092 CD2 LEU A 86 11.971 -8.884 5.155 1.00 0.00 C ATOM 0 H LEU A 86 7.938 -8.279 7.728 1.00 0.00 H new ATOM 0 HA LEU A 86 10.113 -6.310 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.525 -8.836 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.623 -7.636 5.172 1.00 0.00 H new ATOM 0 HG LEU A 86 11.864 -6.946 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.022 -8.441 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.597 -7.674 8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.520 -9.372 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.059 -8.930 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.559 -9.880 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.662 -8.520 4.175 1.00 0.00 H new ATOM 1104 N VAL A 87 7.271 -6.043 6.085 1.00 0.00 N ATOM 1105 CA VAL A 87 6.424 -5.141 5.326 1.00 0.00 C ATOM 1106 C VAL A 87 6.000 -3.947 6.174 1.00 0.00 C ATOM 1107 O VAL A 87 5.884 -2.830 5.670 1.00 0.00 O ATOM 1108 CB VAL A 87 5.176 -5.871 4.790 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.238 -4.902 4.083 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.588 -6.998 3.854 1.00 0.00 C ATOM 0 H VAL A 87 6.799 -6.885 6.415 1.00 0.00 H new ATOM 0 HA VAL A 87 7.008 -4.780 4.479 1.00 0.00 H new ATOM 0 HB VAL A 87 4.639 -6.298 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.366 -5.443 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.917 -4.130 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.758 -4.438 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.698 -7.506 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.149 -6.587 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.213 -7.709 4.394 1.00 0.00 H new ATOM 1120 N VAL A 88 5.774 -4.183 7.464 1.00 0.00 N ATOM 1121 CA VAL A 88 5.370 -3.113 8.366 1.00 0.00 C ATOM 1122 C VAL A 88 6.375 -1.958 8.325 1.00 0.00 C ATOM 1123 O VAL A 88 5.995 -0.808 8.106 1.00 0.00 O ATOM 1124 CB VAL A 88 5.215 -3.616 9.818 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.916 -2.460 10.766 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.124 -4.674 9.901 1.00 0.00 C ATOM 0 H VAL A 88 5.863 -5.099 7.904 1.00 0.00 H new ATOM 0 HA VAL A 88 4.399 -2.756 8.023 1.00 0.00 H new ATOM 0 HB VAL A 88 6.159 -4.067 10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.811 -2.840 11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.733 -1.740 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.989 -1.972 10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.028 -5.018 10.931 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.177 -4.247 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.385 -5.516 9.260 1.00 0.00 H new ATOM 1136 N PRO A 89 7.676 -2.248 8.522 1.00 0.00 N ATOM 1137 CA PRO A 89 8.719 -1.220 8.487 1.00 0.00 C ATOM 1138 C PRO A 89 8.911 -0.659 7.082 1.00 0.00 C ATOM 1139 O PRO A 89 9.034 0.555 6.896 1.00 0.00 O ATOM 1140 CB PRO A 89 9.976 -1.963 8.944 1.00 0.00 C ATOM 1141 CG PRO A 89 9.714 -3.388 8.607 1.00 0.00 C ATOM 1142 CD PRO A 89 8.235 -3.589 8.783 1.00 0.00 C ATOM 0 HA PRO A 89 8.473 -0.363 9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.864 -1.592 8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.146 -1.833 10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.019 -3.610 7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.279 -4.054 9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.844 -4.330 8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.993 -3.937 9.787 1.00 0.00 H new ATOM 1150 N LEU A 90 8.923 -1.550 6.090 1.00 0.00 N ATOM 1151 CA LEU A 90 9.091 -1.138 4.703 1.00 0.00 C ATOM 1152 C LEU A 90 8.055 -0.080 4.336 1.00 0.00 C ATOM 1153 O LEU A 90 8.326 0.827 3.549 1.00 0.00 O ATOM 1154 CB LEU A 90 8.959 -2.342 3.771 1.00 0.00 C ATOM 1155 CG LEU A 90 10.237 -3.166 3.598 1.00 0.00 C ATOM 1156 CD1 LEU A 90 9.903 -4.588 3.176 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.160 -2.507 2.585 1.00 0.00 C ATOM 0 H LEU A 90 8.819 -2.556 6.224 1.00 0.00 H new ATOM 0 HA LEU A 90 10.087 -0.711 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.173 -2.994 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.635 -1.991 2.791 1.00 0.00 H new ATOM 0 HG LEU A 90 10.754 -3.208 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.824 -5.158 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.281 -5.057 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.364 -4.569 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.064 -3.105 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.652 -2.434 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.426 -1.508 2.931 1.00 0.00 H new ATOM 1169 N ILE A 91 6.872 -0.203 4.927 1.00 0.00 N ATOM 1170 CA ILE A 91 5.791 0.742 4.683 1.00 0.00 C ATOM 1171 C ILE A 91 5.999 2.024 5.485 1.00 0.00 C ATOM 1172 O ILE A 91 5.773 3.127 4.987 1.00 0.00 O ATOM 1173 CB ILE A 91 4.422 0.123 5.046 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.110 -1.052 4.116 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.313 1.167 4.977 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.999 -1.945 4.626 1.00 0.00 C ATOM 0 H ILE A 91 6.638 -0.950 5.580 1.00 0.00 H new ATOM 0 HA ILE A 91 5.799 0.982 3.620 1.00 0.00 H new ATOM 0 HB ILE A 91 4.475 -0.244 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.834 -0.666 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.012 -1.648 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.361 0.704 5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.528 1.973 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.256 1.571 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.831 -2.757 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.281 -2.360 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.084 -1.362 4.734 1.00 0.00 H new ATOM 1188 N ALA A 92 6.420 1.868 6.736 1.00 0.00 N ATOM 1189 CA ALA A 92 6.647 3.000 7.619 1.00 0.00 C ATOM 1190 C ALA A 92 7.900 3.788 7.243 1.00 0.00 C ATOM 1191 O ALA A 92 8.181 4.832 7.833 1.00 0.00 O ATOM 1192 CB ALA A 92 6.740 2.527 9.061 1.00 0.00 C ATOM 0 H ALA A 92 6.611 0.961 7.161 1.00 0.00 H new ATOM 0 HA ALA A 92 5.797 3.673 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.910 3.383 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.809 2.034 9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.567 1.824 9.161 1.00 0.00 H new ATOM 1198 N GLU A 93 8.657 3.290 6.269 1.00 0.00 N ATOM 1199 CA GLU A 93 9.880 3.969 5.843 1.00 0.00 C ATOM 1200 C GLU A 93 9.650 4.815 4.592 1.00 0.00 C ATOM 1201 O GLU A 93 10.559 5.507 4.131 1.00 0.00 O ATOM 1202 CB GLU A 93 10.993 2.954 5.586 1.00 0.00 C ATOM 1203 CG GLU A 93 10.633 1.912 4.543 1.00 0.00 C ATOM 1204 CD GLU A 93 11.854 1.311 3.871 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.658 0.662 4.571 1.00 0.00 O ATOM 1206 OE2 GLU A 93 12.003 1.492 2.645 1.00 0.00 O ATOM 0 H GLU A 93 8.450 2.428 5.764 1.00 0.00 H new ATOM 0 HA GLU A 93 10.180 4.636 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.890 3.484 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.238 2.451 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.054 1.117 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.994 2.367 3.786 1.00 0.00 H new ATOM 1213 N SER A 94 8.438 4.765 4.045 1.00 0.00 N ATOM 1214 CA SER A 94 8.116 5.539 2.851 1.00 0.00 C ATOM 1215 C SER A 94 8.214 7.029 3.135 1.00 0.00 C ATOM 1216 O SER A 94 8.548 7.826 2.257 1.00 0.00 O ATOM 1217 CB SER A 94 6.715 5.189 2.348 1.00 0.00 C ATOM 1218 OG SER A 94 5.756 5.306 3.383 1.00 0.00 O ATOM 0 H SER A 94 7.669 4.201 4.407 1.00 0.00 H new ATOM 0 HA SER A 94 8.839 5.286 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.446 5.849 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.710 4.172 1.957 1.00 0.00 H new ATOM 0 HG SER A 94 4.864 5.412 2.992 1.00 0.00 H new ATOM 1224 N GLY A 95 7.924 7.392 4.373 1.00 0.00 N ATOM 1225 CA GLY A 95 7.985 8.785 4.779 1.00 0.00 C ATOM 1226 C GLY A 95 6.639 9.478 4.706 1.00 0.00 C ATOM 1227 O GLY A 95 6.226 10.144 5.655 1.00 0.00 O ATOM 0 H GLY A 95 7.645 6.745 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.364 8.845 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.695 9.313 4.143 1.00 0.00 H new ATOM 1231 N ASN A 96 5.955 9.325 3.578 1.00 0.00 N ATOM 1232 CA ASN A 96 4.650 9.946 3.389 1.00 0.00 C ATOM 1233 C ASN A 96 3.931 9.357 2.178 1.00 0.00 C ATOM 1234 O ASN A 96 2.722 9.136 2.211 1.00 0.00 O ATOM 1235 CB ASN A 96 4.801 11.459 3.218 1.00 0.00 C ATOM 1236 CG ASN A 96 5.624 11.825 1.999 1.00 0.00 C ATOM 1237 OD1 ASN A 96 5.082 12.111 0.932 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.943 11.816 2.152 1.00 0.00 N ATOM 0 H ASN A 96 6.282 8.777 2.782 1.00 0.00 H new ATOM 0 HA ASN A 96 4.051 9.743 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.813 11.913 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.270 11.877 4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.549 12.052 1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.350 11.573 3.055 1.00 0.00 H new ATOM 1245 N LYS A 97 4.683 9.100 1.114 1.00 0.00 N ATOM 1246 CA LYS A 97 4.119 8.534 -0.103 1.00 0.00 C ATOM 1247 C LYS A 97 4.628 7.114 -0.307 1.00 0.00 C ATOM 1248 O LYS A 97 5.817 6.896 -0.538 1.00 0.00 O ATOM 1249 CB LYS A 97 4.474 9.400 -1.313 1.00 0.00 C ATOM 1250 CG LYS A 97 3.396 10.406 -1.676 1.00 0.00 C ATOM 1251 CD LYS A 97 3.803 11.256 -2.868 1.00 0.00 C ATOM 1252 CE LYS A 97 3.265 10.683 -4.169 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.050 11.742 -5.194 1.00 0.00 N ATOM 0 H LYS A 97 5.687 9.275 1.071 1.00 0.00 H new ATOM 0 HA LYS A 97 3.034 8.509 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.403 9.933 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.660 8.753 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.468 9.880 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.196 11.051 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.432 12.272 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.890 11.318 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.963 9.940 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.324 10.167 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.683 11.311 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.365 12.437 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.952 12.218 -5.396 1.00 0.00 H new ATOM 1267 N LEU A 98 3.724 6.148 -0.202 1.00 0.00 N ATOM 1268 CA LEU A 98 4.090 4.747 -0.357 1.00 0.00 C ATOM 1269 C LEU A 98 3.659 4.202 -1.715 1.00 0.00 C ATOM 1270 O LEU A 98 2.510 3.803 -1.897 1.00 0.00 O ATOM 1271 CB LEU A 98 3.458 3.914 0.763 1.00 0.00 C ATOM 1272 CG LEU A 98 4.401 2.950 1.493 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.601 1.815 2.105 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.462 2.400 0.548 1.00 0.00 C ATOM 0 H LEU A 98 2.735 6.309 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 98 5.176 4.677 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.026 4.595 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.635 3.337 0.341 1.00 0.00 H new ATOM 0 HG LEU A 98 4.910 3.499 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.275 1.133 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.879 2.220 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.073 1.276 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.117 1.719 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.979 1.863 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.051 3.223 0.143 1.00 0.00 H new ATOM 1286 N ASP A 99 4.595 4.165 -2.656 1.00 0.00 N ATOM 1287 CA ASP A 99 4.316 3.644 -3.988 1.00 0.00 C ATOM 1288 C ASP A 99 4.739 2.182 -4.068 1.00 0.00 C ATOM 1289 O ASP A 99 5.912 1.858 -3.882 1.00 0.00 O ATOM 1290 CB ASP A 99 5.051 4.463 -5.052 1.00 0.00 C ATOM 1291 CG ASP A 99 4.320 4.474 -6.380 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.096 3.382 -6.944 1.00 0.00 O ATOM 1293 OD2 ASP A 99 3.970 5.575 -6.856 1.00 0.00 O ATOM 0 H ASP A 99 5.553 4.489 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 99 3.245 3.719 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.172 5.487 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.051 4.054 -5.194 1.00 0.00 H new ATOM 1298 N LEU A 100 3.782 1.299 -4.325 1.00 0.00 N ATOM 1299 CA LEU A 100 4.075 -0.128 -4.400 1.00 0.00 C ATOM 1300 C LEU A 100 3.198 -0.837 -5.424 1.00 0.00 C ATOM 1301 O LEU A 100 2.171 -0.315 -5.856 1.00 0.00 O ATOM 1302 CB LEU A 100 3.877 -0.772 -3.027 1.00 0.00 C ATOM 1303 CG LEU A 100 2.638 -0.302 -2.264 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.421 -1.125 -2.657 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.877 -0.382 -0.763 1.00 0.00 C ATOM 0 H LEU A 100 2.804 1.542 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 100 5.113 -0.233 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.818 -1.853 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.758 -0.571 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 100 2.445 0.738 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.550 -0.774 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.238 -1.017 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.601 -2.175 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.986 -0.044 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.096 -1.413 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.721 0.253 -0.495 1.00 0.00 H new ATOM 1317 N VAL A 101 3.613 -2.046 -5.789 1.00 0.00 N ATOM 1318 CA VAL A 101 2.877 -2.861 -6.744 1.00 0.00 C ATOM 1319 C VAL A 101 2.438 -4.165 -6.092 1.00 0.00 C ATOM 1320 O VAL A 101 3.260 -5.031 -5.800 1.00 0.00 O ATOM 1321 CB VAL A 101 3.727 -3.180 -7.989 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.891 -3.892 -9.043 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.344 -1.908 -8.553 1.00 0.00 C ATOM 0 H VAL A 101 4.463 -2.484 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 101 2.004 -2.289 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 101 4.535 -3.848 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.510 -4.108 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.505 -4.825 -8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.058 -3.254 -9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.941 -2.152 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.552 -1.213 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.981 -1.447 -7.798 1.00 0.00 H new ATOM 1333 N ILE A 102 1.140 -4.295 -5.853 1.00 0.00 N ATOM 1334 CA ILE A 102 0.594 -5.490 -5.223 1.00 0.00 C ATOM 1335 C ILE A 102 -0.049 -6.410 -6.255 1.00 0.00 C ATOM 1336 O ILE A 102 -0.252 -6.020 -7.404 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.458 -5.121 -4.156 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.660 -4.441 -4.820 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.149 -4.216 -3.086 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.709 -5.417 -5.301 1.00 0.00 C ATOM 0 H ILE A 102 0.444 -3.586 -6.086 1.00 0.00 H new ATOM 0 HA ILE A 102 1.425 -6.010 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.796 -6.036 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.115 -3.750 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.312 -3.847 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.611 -3.969 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.976 -4.732 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.515 -3.300 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.532 -4.870 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.268 -6.093 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.084 -5.994 -4.456 1.00 0.00 H new ATOM 1352 N SER A 103 -0.373 -7.628 -5.835 1.00 0.00 N ATOM 1353 CA SER A 103 -0.999 -8.603 -6.720 1.00 0.00 C ATOM 1354 C SER A 103 -1.974 -9.485 -5.946 1.00 0.00 C ATOM 1355 O SER A 103 -1.620 -10.057 -4.915 1.00 0.00 O ATOM 1356 CB SER A 103 0.064 -9.469 -7.396 1.00 0.00 C ATOM 1357 OG SER A 103 -0.306 -9.788 -8.725 1.00 0.00 O ATOM 0 H SER A 103 -0.212 -7.964 -4.885 1.00 0.00 H new ATOM 0 HA SER A 103 -1.553 -8.060 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.019 -8.943 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.207 -10.386 -6.825 1.00 0.00 H new ATOM 0 HG SER A 103 0.490 -10.051 -9.232 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.203 -9.587 -6.442 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.220 -10.400 -5.783 1.00 0.00 C ATOM 1365 C ARG A 104 -5.175 -11.022 -6.796 1.00 0.00 C ATOM 1366 O ARG A 104 -5.461 -10.436 -7.840 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.009 -9.552 -4.784 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.762 -8.398 -5.426 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.224 -8.377 -5.008 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.112 -8.097 -6.134 1.00 0.00 N ATOM 1371 CZ ARG A 104 -9.416 -8.365 -6.135 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.988 -8.915 -5.073 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -10.149 -8.079 -7.202 1.00 0.00 N ATOM 0 H ARG A 104 -3.518 -9.120 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.711 -11.205 -5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.719 -10.191 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.323 -9.156 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.290 -7.456 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.695 -8.479 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.489 -9.338 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.369 -7.622 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.709 -7.671 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.429 -9.135 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.988 -9.118 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.714 -7.654 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.148 -8.284 -7.204 1.00 0.00 H new ATOM 1387 N ASN A 105 -5.666 -12.215 -6.477 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.592 -12.924 -7.350 1.00 0.00 C ATOM 1389 C ASN A 105 -7.886 -12.132 -7.527 1.00 0.00 C ATOM 1390 O ASN A 105 -8.365 -11.494 -6.591 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.905 -14.307 -6.773 1.00 0.00 C ATOM 1392 CG ASN A 105 -5.657 -15.134 -6.547 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -5.190 -15.831 -7.447 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -5.108 -15.063 -5.340 1.00 0.00 N ATOM 0 H ASN A 105 -5.436 -12.712 -5.616 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.120 -13.039 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.437 -14.192 -5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.572 -14.839 -7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.266 -15.599 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.528 -14.472 -4.623 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.475 -12.163 -8.737 1.00 0.00 N ATOM 1402 CA PRO A 106 -9.719 -11.442 -9.027 1.00 0.00 C ATOM 1403 C PRO A 106 -10.825 -11.777 -8.032 1.00 0.00 C ATOM 1404 O PRO A 106 -10.751 -12.854 -7.406 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.098 -11.929 -10.428 1.00 0.00 C ATOM 1406 CG PRO A 106 -8.809 -12.358 -11.041 1.00 0.00 C ATOM 1407 CD PRO A 106 -7.975 -12.899 -9.915 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.756 -10.957 -7.886 1.00 0.00 O ATOM 0 HA PRO A 106 -9.588 -10.362 -8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.808 -12.754 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.568 -11.136 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.974 -13.118 -11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.311 -11.520 -11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.103 -13.975 -9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.912 -12.720 -10.080 1.00 0.00 H new