USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 LYS NZ :NH3+ 164:sc= 0.4 (180deg=-0.241) USER MOD Single : A 11 MET CE :methyl 150:sc= -2.26! (180deg=-4.65!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 21 SER OG : rot 129:sc= 0.679 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -20:sc= 1.02 USER MOD Single : A 47 GLN : amide:sc= -0.0097 X(o=-0.0097,f=0) USER MOD Single : A 61 TYR OH : rot 53:sc= 0.952 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -132:sc= -4.79! (180deg=-8.12!) USER MOD Single : A 72 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-5!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 74 HIS : no HE2:sc= -4.62! C(o=-4.6!,f=-6.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.779 -2.928 2.295 1.00 0.00 N ATOM 63 CA LEU A 8 12.967 -1.725 2.339 1.00 0.00 C ATOM 64 C LEU A 8 11.777 -1.882 1.390 1.00 0.00 C ATOM 65 O LEU A 8 10.625 -1.775 1.809 1.00 0.00 O ATOM 66 CB LEU A 8 13.821 -0.489 2.054 1.00 0.00 C ATOM 67 CG LEU A 8 14.344 0.264 3.279 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.072 1.544 2.868 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.216 0.540 4.275 1.00 0.00 C ATOM 0 HA LEU A 8 12.560 -1.578 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.674 -0.794 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.233 0.203 1.451 1.00 0.00 H new ATOM 0 HG LEU A 8 15.072 -0.371 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.433 2.059 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.917 1.292 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.386 2.195 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.614 1.076 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.447 1.145 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.782 -0.404 4.604 1.00 0.00 H new ATOM 80 N ARG A 9 12.097 -2.134 0.129 1.00 0.00 N ATOM 81 CA ARG A 9 11.068 -2.307 -0.883 1.00 0.00 C ATOM 82 C ARG A 9 10.206 -3.528 -0.560 1.00 0.00 C ATOM 83 O ARG A 9 9.008 -3.539 -0.841 1.00 0.00 O ATOM 84 CB ARG A 9 11.687 -2.480 -2.271 1.00 0.00 C ATOM 85 CG ARG A 9 10.616 -2.411 -3.362 1.00 0.00 C ATOM 86 CD ARG A 9 10.665 -3.649 -4.260 1.00 0.00 C ATOM 87 NE ARG A 9 10.604 -4.876 -3.434 1.00 0.00 N ATOM 88 CZ ARG A 9 10.399 -6.104 -3.928 1.00 0.00 C ATOM 89 NH1 ARG A 9 10.233 -6.278 -5.246 1.00 0.00 N ATOM 90 NH2 ARG A 9 10.359 -7.160 -3.103 1.00 0.00 N ATOM 0 H ARG A 9 13.053 -2.222 -0.215 1.00 0.00 H new ATOM 0 HA ARG A 9 10.447 -1.411 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.433 -1.704 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.205 -3.437 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.630 -2.329 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.763 -1.515 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.832 -3.632 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.581 -3.644 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 9 10.726 -4.780 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.263 -5.475 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.077 -7.214 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.485 -7.028 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.203 -8.095 -3.479 1.00 0.00 H new ATOM 101 N LYS A 10 10.848 -4.528 0.025 1.00 0.00 N ATOM 102 CA LYS A 10 10.154 -5.752 0.390 1.00 0.00 C ATOM 103 C LYS A 10 9.179 -5.459 1.532 1.00 0.00 C ATOM 104 O LYS A 10 8.117 -6.074 1.618 1.00 0.00 O ATOM 105 CB LYS A 10 11.158 -6.862 0.708 1.00 0.00 C ATOM 106 CG LYS A 10 10.491 -7.995 1.493 1.00 0.00 C ATOM 107 CD LYS A 10 9.256 -8.517 0.760 1.00 0.00 C ATOM 108 CE LYS A 10 8.078 -8.687 1.721 1.00 0.00 C ATOM 109 NZ LYS A 10 6.801 -8.385 1.035 1.00 0.00 N ATOM 0 H LYS A 10 11.842 -4.516 0.256 1.00 0.00 H new ATOM 0 HA LYS A 10 9.562 -6.119 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.578 -7.254 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.987 -6.453 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.202 -8.808 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.207 -7.638 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.983 -7.826 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.486 -9.472 0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.059 -9.707 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.202 -8.026 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.009 -8.757 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.698 -7.355 0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.798 -8.830 0.095 1.00 0.00 H new ATOM 119 N MET A 11 9.573 -4.520 2.379 1.00 0.00 N ATOM 120 CA MET A 11 8.747 -4.138 3.511 1.00 0.00 C ATOM 121 C MET A 11 7.459 -3.457 3.045 1.00 0.00 C ATOM 122 O MET A 11 6.361 -3.901 3.378 1.00 0.00 O ATOM 123 CB MET A 11 9.529 -3.185 4.417 1.00 0.00 C ATOM 124 CG MET A 11 10.237 -3.951 5.537 1.00 0.00 C ATOM 125 SD MET A 11 9.956 -3.141 7.102 1.00 0.00 S ATOM 126 CE MET A 11 11.175 -1.841 7.001 1.00 0.00 C ATOM 0 H MET A 11 10.454 -4.012 2.304 1.00 0.00 H new ATOM 0 HA MET A 11 8.481 -5.040 4.062 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.263 -2.636 3.827 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.851 -2.448 4.848 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.868 -4.976 5.577 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.306 -4.005 5.333 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.828 -0.972 7.560 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.117 -2.192 7.423 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.326 -1.564 5.958 1.00 0.00 H new ATOM 134 N VAL A 12 7.636 -2.388 2.282 1.00 0.00 N ATOM 135 CA VAL A 12 6.501 -1.640 1.766 1.00 0.00 C ATOM 136 C VAL A 12 5.672 -2.546 0.852 1.00 0.00 C ATOM 137 O VAL A 12 4.461 -2.369 0.732 1.00 0.00 O ATOM 138 CB VAL A 12 6.986 -0.369 1.067 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.251 -0.640 0.250 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.884 0.228 0.189 1.00 0.00 C ATOM 0 H VAL A 12 8.548 -2.022 2.009 1.00 0.00 H new ATOM 0 HA VAL A 12 5.853 -1.319 2.581 1.00 0.00 H new ATOM 0 HB VAL A 12 7.235 0.362 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.574 0.280 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.041 -0.998 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.040 -1.396 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.255 1.131 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.590 -0.497 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.021 0.477 0.807 1.00 0.00 H new ATOM 150 N GLU A 13 6.358 -3.494 0.232 1.00 0.00 N ATOM 151 CA GLU A 13 5.700 -4.428 -0.666 1.00 0.00 C ATOM 152 C GLU A 13 4.514 -5.094 0.034 1.00 0.00 C ATOM 153 O GLU A 13 3.462 -5.290 -0.571 1.00 0.00 O ATOM 154 CB GLU A 13 6.686 -5.474 -1.188 1.00 0.00 C ATOM 155 CG GLU A 13 7.432 -4.959 -2.421 1.00 0.00 C ATOM 156 CD GLU A 13 6.717 -5.380 -3.708 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.491 -5.608 -3.628 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.415 -5.462 -4.742 1.00 0.00 O ATOM 0 H GLU A 13 7.363 -3.636 0.333 1.00 0.00 H new ATOM 0 HA GLU A 13 5.323 -3.871 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.401 -5.727 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.151 -6.390 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.505 -3.872 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.451 -5.347 -2.423 1.00 0.00 H new ATOM 163 N GLU A 14 4.724 -5.423 1.300 1.00 0.00 N ATOM 164 CA GLU A 14 3.685 -6.062 2.090 1.00 0.00 C ATOM 165 C GLU A 14 2.704 -5.015 2.622 1.00 0.00 C ATOM 166 O GLU A 14 1.492 -5.234 2.612 1.00 0.00 O ATOM 167 CB GLU A 14 4.290 -6.878 3.234 1.00 0.00 C ATOM 168 CG GLU A 14 4.340 -6.058 4.525 1.00 0.00 C ATOM 169 CD GLU A 14 5.097 -6.810 5.622 1.00 0.00 C ATOM 170 OE1 GLU A 14 5.920 -7.675 5.254 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.836 -6.501 6.805 1.00 0.00 O ATOM 0 H GLU A 14 5.599 -5.259 1.799 1.00 0.00 H new ATOM 0 HA GLU A 14 3.138 -6.751 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.699 -7.780 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.296 -7.200 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.825 -5.101 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.326 -5.840 4.861 1.00 0.00 H new ATOM 176 N VAL A 15 3.262 -3.902 3.073 1.00 0.00 N ATOM 177 CA VAL A 15 2.450 -2.822 3.609 1.00 0.00 C ATOM 178 C VAL A 15 1.255 -2.582 2.684 1.00 0.00 C ATOM 179 O VAL A 15 0.125 -2.933 3.021 1.00 0.00 O ATOM 180 CB VAL A 15 3.310 -1.572 3.811 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.437 -0.327 3.976 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.253 -1.743 5.004 1.00 0.00 C ATOM 0 H VAL A 15 4.266 -3.724 3.079 1.00 0.00 H new ATOM 0 HA VAL A 15 2.055 -3.090 4.589 1.00 0.00 H new ATOM 0 HB VAL A 15 3.920 -1.437 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.073 0.547 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.826 -0.190 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.789 -0.449 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.853 -0.841 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.669 -1.915 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.910 -2.595 4.829 1.00 0.00 H new ATOM 192 N PHE A 16 1.544 -1.985 1.538 1.00 0.00 N ATOM 193 CA PHE A 16 0.508 -1.693 0.563 1.00 0.00 C ATOM 194 C PHE A 16 -0.464 -2.867 0.428 1.00 0.00 C ATOM 195 O PHE A 16 -1.673 -2.668 0.321 1.00 0.00 O ATOM 196 CB PHE A 16 1.206 -1.469 -0.780 1.00 0.00 C ATOM 197 CG PHE A 16 1.819 -0.076 -0.937 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.152 1.016 -0.478 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.032 0.070 -1.537 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.722 2.309 -0.624 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.601 1.362 -1.683 1.00 0.00 C ATOM 202 CZ PHE A 16 2.934 2.454 -1.224 1.00 0.00 C ATOM 0 H PHE A 16 2.482 -1.695 1.262 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.061 -0.818 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.991 -2.216 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.487 -1.631 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.189 0.901 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.562 -0.798 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.193 3.177 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.564 1.478 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.367 3.437 -1.336 1.00 0.00 H new ATOM 211 N ASP A 17 0.101 -4.066 0.440 1.00 0.00 N ATOM 212 CA ASP A 17 -0.701 -5.272 0.321 1.00 0.00 C ATOM 213 C ASP A 17 -1.605 -5.401 1.549 1.00 0.00 C ATOM 214 O ASP A 17 -2.829 -5.349 1.431 1.00 0.00 O ATOM 215 CB ASP A 17 0.185 -6.518 0.254 1.00 0.00 C ATOM 216 CG ASP A 17 0.480 -7.025 -1.159 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.504 -6.173 -2.074 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.676 -8.252 -1.291 1.00 0.00 O ATOM 0 H ASP A 17 1.104 -4.228 0.530 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.289 -5.197 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.131 -6.300 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.295 -7.318 0.818 1.00 0.00 H new ATOM 222 N VAL A 18 -0.968 -5.567 2.698 1.00 0.00 N ATOM 223 CA VAL A 18 -1.700 -5.704 3.947 1.00 0.00 C ATOM 224 C VAL A 18 -2.841 -4.686 3.978 1.00 0.00 C ATOM 225 O VAL A 18 -3.999 -5.051 4.173 1.00 0.00 O ATOM 226 CB VAL A 18 -0.743 -5.567 5.132 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.491 -5.126 6.393 1.00 0.00 C ATOM 228 CG2 VAL A 18 0.020 -6.871 5.375 1.00 0.00 C ATOM 0 H VAL A 18 0.047 -5.610 2.791 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.147 -6.695 4.021 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.015 -4.794 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.787 -5.036 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.967 -4.162 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.252 -5.866 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.693 -6.746 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.688 -7.672 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.598 -7.125 4.487 1.00 0.00 H new ATOM 238 N LEU A 19 -2.474 -3.427 3.784 1.00 0.00 N ATOM 239 CA LEU A 19 -3.452 -2.353 3.787 1.00 0.00 C ATOM 240 C LEU A 19 -4.588 -2.700 2.821 1.00 0.00 C ATOM 241 O LEU A 19 -5.747 -2.785 3.224 1.00 0.00 O ATOM 242 CB LEU A 19 -2.778 -1.013 3.489 1.00 0.00 C ATOM 243 CG LEU A 19 -1.601 -0.638 4.391 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.273 0.851 4.275 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.865 -1.056 5.839 1.00 0.00 C ATOM 0 H LEU A 19 -1.512 -3.127 3.624 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.897 -2.246 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.429 -1.026 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.530 -0.227 3.561 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.723 -1.188 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.433 1.090 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.011 1.087 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.141 1.439 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.013 -0.778 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.760 -0.553 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.011 -2.135 5.885 1.00 0.00 H new ATOM 256 N TYR A 20 -4.214 -2.889 1.564 1.00 0.00 N ATOM 257 CA TYR A 20 -5.186 -3.224 0.537 1.00 0.00 C ATOM 258 C TYR A 20 -6.101 -4.360 0.999 1.00 0.00 C ATOM 259 O TYR A 20 -7.324 -4.252 0.912 1.00 0.00 O ATOM 260 CB TYR A 20 -4.377 -3.697 -0.671 1.00 0.00 C ATOM 261 CG TYR A 20 -5.233 -4.141 -1.859 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.241 -3.323 -2.326 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.996 -5.359 -2.463 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.048 -3.741 -3.444 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.803 -5.777 -3.581 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.788 -4.948 -4.015 1.00 0.00 C ATOM 267 OH TYR A 20 -7.550 -5.343 -5.071 1.00 0.00 O ATOM 0 H TYR A 20 -3.252 -2.817 1.234 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.815 -2.364 0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.718 -2.890 -0.993 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.739 -4.527 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.425 -2.369 -1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.206 -5.999 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.841 -3.111 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.629 -6.728 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.251 -6.224 -5.378 1.00 0.00 H new ATOM 276 N SER A 21 -5.475 -5.425 1.479 1.00 0.00 N ATOM 277 CA SER A 21 -6.218 -6.580 1.954 1.00 0.00 C ATOM 278 C SER A 21 -7.150 -6.168 3.095 1.00 0.00 C ATOM 279 O SER A 21 -8.289 -6.630 3.167 1.00 0.00 O ATOM 280 CB SER A 21 -5.272 -7.690 2.415 1.00 0.00 C ATOM 281 OG SER A 21 -5.977 -8.874 2.778 1.00 0.00 O ATOM 0 H SER A 21 -4.461 -5.512 1.549 1.00 0.00 H new ATOM 0 HA SER A 21 -6.815 -6.968 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.565 -7.919 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.689 -7.339 3.267 1.00 0.00 H new ATOM 0 HG SER A 21 -5.591 -9.642 2.308 1.00 0.00 H new ATOM 286 N GLU A 22 -6.634 -5.306 3.957 1.00 0.00 N ATOM 287 CA GLU A 22 -7.406 -4.827 5.092 1.00 0.00 C ATOM 288 C GLU A 22 -8.675 -4.119 4.609 1.00 0.00 C ATOM 289 O GLU A 22 -9.772 -4.411 5.083 1.00 0.00 O ATOM 290 CB GLU A 22 -6.567 -3.904 5.977 1.00 0.00 C ATOM 291 CG GLU A 22 -5.483 -4.691 6.717 1.00 0.00 C ATOM 292 CD GLU A 22 -5.969 -5.127 8.101 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.760 -6.094 8.145 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.539 -4.483 9.082 1.00 0.00 O ATOM 0 H GLU A 22 -5.690 -4.926 3.893 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.699 -5.686 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.105 -3.129 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.212 -3.400 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.203 -5.568 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.588 -4.077 6.819 1.00 0.00 H new ATOM 299 N ALA A 23 -8.483 -3.203 3.672 1.00 0.00 N ATOM 300 CA ALA A 23 -9.597 -2.452 3.120 1.00 0.00 C ATOM 301 C ALA A 23 -10.507 -3.399 2.336 1.00 0.00 C ATOM 302 O ALA A 23 -11.708 -3.161 2.224 1.00 0.00 O ATOM 303 CB ALA A 23 -9.063 -1.307 2.256 1.00 0.00 C ATOM 0 H ALA A 23 -7.572 -2.964 3.281 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.193 -2.008 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.899 -0.743 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.447 -0.647 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.462 -1.714 1.443 1.00 0.00 H new ATOM 309 N LEU A 24 -9.898 -4.454 1.812 1.00 0.00 N ATOM 310 CA LEU A 24 -10.639 -5.438 1.042 1.00 0.00 C ATOM 311 C LEU A 24 -11.422 -6.343 1.995 1.00 0.00 C ATOM 312 O LEU A 24 -12.405 -6.966 1.598 1.00 0.00 O ATOM 313 CB LEU A 24 -9.701 -6.200 0.103 1.00 0.00 C ATOM 314 CG LEU A 24 -9.763 -5.804 -1.373 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.662 -6.502 -2.175 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.153 -6.074 -1.954 1.00 0.00 C ATOM 0 H LEU A 24 -8.901 -4.648 1.906 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.368 -4.946 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.678 -6.062 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.925 -7.264 0.183 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.585 -4.731 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.729 -6.203 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.687 -6.218 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.785 -7.582 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.171 -5.784 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.384 -7.136 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.896 -5.495 -1.405 1.00 0.00 H new ATOM 327 N GLY A 25 -10.956 -6.386 3.235 1.00 0.00 N ATOM 328 CA GLY A 25 -11.601 -7.204 4.248 1.00 0.00 C ATOM 329 C GLY A 25 -11.464 -8.692 3.920 1.00 0.00 C ATOM 330 O GLY A 25 -12.389 -9.470 4.152 1.00 0.00 O ATOM 0 H GLY A 25 -10.140 -5.868 3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.157 -7.000 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.656 -6.939 4.317 1.00 0.00 H new ATOM 334 N ARG A 26 -10.304 -9.044 3.386 1.00 0.00 N ATOM 335 CA ARG A 26 -10.035 -10.425 3.024 1.00 0.00 C ATOM 336 C ARG A 26 -9.374 -11.161 4.191 1.00 0.00 C ATOM 337 O ARG A 26 -9.067 -10.557 5.217 1.00 0.00 O ATOM 338 CB ARG A 26 -9.123 -10.504 1.797 1.00 0.00 C ATOM 339 CG ARG A 26 -9.803 -9.898 0.569 1.00 0.00 C ATOM 340 CD ARG A 26 -10.413 -10.988 -0.315 1.00 0.00 C ATOM 341 NE ARG A 26 -11.816 -10.646 -0.643 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.670 -11.482 -1.249 1.00 0.00 C ATOM 343 NH1 ARG A 26 -12.270 -12.713 -1.598 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.924 -11.087 -1.507 1.00 0.00 N ATOM 0 H ARG A 26 -9.539 -8.396 3.195 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.988 -10.898 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.190 -9.977 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.865 -11.544 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.581 -9.204 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.077 -9.323 -0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.832 -11.093 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.374 -11.949 0.199 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.153 -9.717 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.315 -13.014 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.921 -13.349 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.228 -10.150 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.574 -11.723 -1.968 1.00 0.00 H new ATOM 355 N ALA A 27 -9.176 -12.456 3.995 1.00 0.00 N ATOM 356 CA ALA A 27 -8.557 -13.281 5.019 1.00 0.00 C ATOM 357 C ALA A 27 -7.053 -13.381 4.749 1.00 0.00 C ATOM 358 O ALA A 27 -6.243 -13.214 5.659 1.00 0.00 O ATOM 359 CB ALA A 27 -9.236 -14.653 5.049 1.00 0.00 C ATOM 0 H ALA A 27 -9.433 -12.954 3.143 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.686 -12.831 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.772 -15.272 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.295 -14.530 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.125 -15.135 4.078 1.00 0.00 H new ATOM 365 N SER A 28 -6.727 -13.653 3.494 1.00 0.00 N ATOM 366 CA SER A 28 -5.336 -13.777 3.092 1.00 0.00 C ATOM 367 C SER A 28 -4.829 -12.441 2.547 1.00 0.00 C ATOM 368 O SER A 28 -5.621 -11.585 2.154 1.00 0.00 O ATOM 369 CB SER A 28 -5.161 -14.878 2.045 1.00 0.00 C ATOM 370 OG SER A 28 -5.867 -16.066 2.396 1.00 0.00 O ATOM 0 H SER A 28 -7.402 -13.791 2.742 1.00 0.00 H new ATOM 0 HA SER A 28 -4.749 -14.051 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.514 -14.519 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.101 -15.106 1.932 1.00 0.00 H new ATOM 0 HG SER A 28 -5.732 -16.744 1.702 1.00 0.00 H new ATOM 375 N VAL A 29 -3.511 -12.304 2.539 1.00 0.00 N ATOM 376 CA VAL A 29 -2.888 -11.087 2.048 1.00 0.00 C ATOM 377 C VAL A 29 -2.758 -11.163 0.526 1.00 0.00 C ATOM 378 O VAL A 29 -2.019 -11.996 0.003 1.00 0.00 O ATOM 379 CB VAL A 29 -1.548 -10.864 2.752 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.815 -9.653 2.168 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.740 -10.713 4.262 1.00 0.00 C ATOM 0 H VAL A 29 -2.857 -13.016 2.865 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.509 -10.221 2.278 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.929 -11.745 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.134 -9.517 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.628 -9.818 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.428 -8.761 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.772 -10.556 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.386 -9.859 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.199 -11.617 4.663 1.00 0.00 H new ATOM 391 N VAL A 30 -3.487 -10.283 -0.144 1.00 0.00 N ATOM 392 CA VAL A 30 -3.464 -10.241 -1.596 1.00 0.00 C ATOM 393 C VAL A 30 -2.513 -9.132 -2.054 1.00 0.00 C ATOM 394 O VAL A 30 -2.257 -8.185 -1.314 1.00 0.00 O ATOM 395 CB VAL A 30 -4.884 -10.071 -2.138 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.634 -11.405 -2.137 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.651 -9.011 -1.345 1.00 0.00 C ATOM 0 H VAL A 30 -4.098 -9.593 0.293 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.087 -11.181 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.810 -9.728 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.641 -11.257 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.104 -12.121 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.692 -11.789 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.657 -8.910 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.710 -9.311 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.132 -8.055 -1.419 1.00 0.00 H new ATOM 407 N PRO A 31 -2.002 -9.294 -3.304 1.00 0.00 N ATOM 408 CA PRO A 31 -1.085 -8.320 -3.869 1.00 0.00 C ATOM 409 C PRO A 31 -1.828 -7.052 -4.299 1.00 0.00 C ATOM 410 O PRO A 31 -3.057 -7.005 -4.257 1.00 0.00 O ATOM 411 CB PRO A 31 -0.414 -9.036 -5.029 1.00 0.00 C ATOM 412 CG PRO A 31 -1.308 -10.220 -5.360 1.00 0.00 C ATOM 413 CD PRO A 31 -2.282 -10.405 -4.209 1.00 0.00 C ATOM 0 HA PRO A 31 -0.343 -7.975 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.308 -8.374 -5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.588 -9.367 -4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.847 -10.043 -6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.711 -11.121 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.315 -10.382 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.133 -11.365 -3.715 1.00 0.00 H new ATOM 418 N LEU A 32 -1.051 -6.058 -4.703 1.00 0.00 N ATOM 419 CA LEU A 32 -1.620 -4.795 -5.140 1.00 0.00 C ATOM 420 C LEU A 32 -1.241 -4.548 -6.602 1.00 0.00 C ATOM 421 O LEU A 32 -0.120 -4.136 -6.895 1.00 0.00 O ATOM 422 CB LEU A 32 -1.204 -3.664 -4.197 1.00 0.00 C ATOM 423 CG LEU A 32 -1.409 -2.243 -4.723 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.760 -2.108 -5.429 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.243 -1.213 -3.602 1.00 0.00 C ATOM 0 H LEU A 32 -0.033 -6.102 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.708 -4.832 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.762 -3.770 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.149 -3.791 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.636 -2.040 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.880 -1.088 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.802 -2.801 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.562 -2.339 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.394 -0.211 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.977 -1.405 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.239 -1.289 -3.184 1.00 0.00 H new ATOM 436 N PRO A 33 -2.223 -4.817 -7.504 1.00 0.00 N ATOM 437 CA PRO A 33 -2.004 -4.629 -8.928 1.00 0.00 C ATOM 438 C PRO A 33 -2.027 -3.144 -9.295 1.00 0.00 C ATOM 439 O PRO A 33 -3.059 -2.618 -9.707 1.00 0.00 O ATOM 440 CB PRO A 33 -3.108 -5.425 -9.605 1.00 0.00 C ATOM 441 CG PRO A 33 -4.173 -5.646 -8.543 1.00 0.00 C ATOM 442 CD PRO A 33 -3.563 -5.306 -7.193 1.00 0.00 C ATOM 0 HA PRO A 33 -1.024 -4.978 -9.252 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.514 -4.882 -10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.730 -6.375 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.042 -5.018 -8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.517 -6.680 -8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.150 -4.549 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.524 -6.181 -6.544 1.00 0.00 H new ATOM 447 N TYR A 34 -0.875 -2.509 -9.130 1.00 0.00 N ATOM 448 CA TYR A 34 -0.750 -1.094 -9.439 1.00 0.00 C ATOM 449 C TYR A 34 -1.105 -0.819 -10.901 1.00 0.00 C ATOM 450 O TYR A 34 -1.933 0.044 -11.191 1.00 0.00 O ATOM 451 CB TYR A 34 0.721 -0.740 -9.208 1.00 0.00 C ATOM 452 CG TYR A 34 1.215 -1.032 -7.790 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.978 -0.126 -6.777 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.900 -2.201 -7.524 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.443 -0.400 -5.441 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.365 -2.474 -6.189 1.00 0.00 C ATOM 457 CZ TYR A 34 2.114 -1.561 -5.214 1.00 0.00 C ATOM 458 OH TYR A 34 2.554 -1.820 -3.953 1.00 0.00 O ATOM 0 H TYR A 34 -0.021 -2.948 -8.787 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.424 -0.504 -8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.334 -1.296 -9.917 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.867 0.319 -9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.444 0.789 -6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.087 -2.910 -8.317 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.263 0.300 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.902 -3.385 -5.967 1.00 0.00 H new ATOM 0 HH TYR A 34 2.599 -0.984 -3.444 1.00 0.00 H new ATOM 467 N GLU A 35 -0.461 -1.568 -11.784 1.00 0.00 N ATOM 468 CA GLU A 35 -0.699 -1.415 -13.209 1.00 0.00 C ATOM 469 C GLU A 35 -2.192 -1.220 -13.481 1.00 0.00 C ATOM 470 O GLU A 35 -2.569 -0.549 -14.440 1.00 0.00 O ATOM 471 CB GLU A 35 -0.152 -2.613 -13.988 1.00 0.00 C ATOM 472 CG GLU A 35 -0.841 -3.908 -13.556 1.00 0.00 C ATOM 473 CD GLU A 35 -0.242 -5.116 -14.280 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.840 -5.563 -13.840 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.879 -5.565 -15.257 1.00 0.00 O ATOM 0 H GLU A 35 0.225 -2.282 -11.540 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.168 -0.527 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.302 -2.456 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.923 -2.697 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.738 -4.037 -12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.908 -3.845 -13.768 1.00 0.00 H new ATOM 480 N ARG A 36 -3.001 -1.819 -12.620 1.00 0.00 N ATOM 481 CA ARG A 36 -4.445 -1.720 -12.754 1.00 0.00 C ATOM 482 C ARG A 36 -4.975 -0.548 -11.926 1.00 0.00 C ATOM 483 O ARG A 36 -5.459 0.439 -12.479 1.00 0.00 O ATOM 484 CB ARG A 36 -5.130 -3.009 -12.299 1.00 0.00 C ATOM 485 CG ARG A 36 -5.376 -3.947 -13.483 1.00 0.00 C ATOM 486 CD ARG A 36 -6.674 -3.586 -14.207 1.00 0.00 C ATOM 487 NE ARG A 36 -7.376 -4.818 -14.632 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.948 -5.686 -13.786 1.00 0.00 C ATOM 489 NH1 ARG A 36 -7.906 -5.462 -12.466 1.00 0.00 N ATOM 490 NH2 ARG A 36 -8.563 -6.778 -14.261 1.00 0.00 N ATOM 0 H ARG A 36 -2.684 -2.375 -11.826 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.670 -1.556 -13.808 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.511 -3.511 -11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.078 -2.771 -11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.539 -3.888 -14.179 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.426 -4.977 -13.131 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.316 -3.000 -13.549 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.455 -2.964 -15.075 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.428 -5.019 -15.631 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.439 -4.631 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.341 -6.123 -11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.596 -6.948 -15.266 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.998 -7.439 -13.617 1.00 0.00 H new ATOM 501 N LEU A 37 -4.867 -0.696 -10.614 1.00 0.00 N ATOM 502 CA LEU A 37 -5.331 0.338 -9.704 1.00 0.00 C ATOM 503 C LEU A 37 -4.891 1.707 -10.227 1.00 0.00 C ATOM 504 O LEU A 37 -5.643 2.677 -10.147 1.00 0.00 O ATOM 505 CB LEU A 37 -4.862 0.046 -8.277 1.00 0.00 C ATOM 506 CG LEU A 37 -5.170 -1.355 -7.744 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.320 -1.341 -6.222 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.398 -1.948 -8.436 1.00 0.00 C ATOM 0 H LEU A 37 -4.465 -1.516 -10.159 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.420 0.347 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.784 0.202 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.319 0.776 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.325 -2.003 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.539 -2.349 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.393 -0.990 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.136 -0.674 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.594 -2.944 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.262 -1.308 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.214 -2.015 -9.508 1.00 0.00 H new ATOM 519 N LEU A 38 -3.675 1.741 -10.753 1.00 0.00 N ATOM 520 CA LEU A 38 -3.127 2.975 -11.290 1.00 0.00 C ATOM 521 C LEU A 38 -4.040 3.492 -12.403 1.00 0.00 C ATOM 522 O LEU A 38 -4.348 4.682 -12.456 1.00 0.00 O ATOM 523 CB LEU A 38 -1.676 2.770 -11.729 1.00 0.00 C ATOM 524 CG LEU A 38 -0.668 2.496 -10.610 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.660 1.993 -11.179 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.482 3.730 -9.726 1.00 0.00 C ATOM 0 H LEU A 38 -3.054 0.934 -10.819 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.097 3.746 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.644 1.937 -12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.353 3.658 -12.272 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.067 1.704 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.358 1.806 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.492 1.069 -11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.077 2.745 -11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.239 3.509 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.115 4.559 -10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.437 4.003 -9.277 1.00 0.00 H new ATOM 537 N ARG A 39 -4.445 2.572 -13.266 1.00 0.00 N ATOM 538 CA ARG A 39 -5.316 2.920 -14.376 1.00 0.00 C ATOM 539 C ARG A 39 -6.595 3.584 -13.860 1.00 0.00 C ATOM 540 O ARG A 39 -7.042 4.590 -14.409 1.00 0.00 O ATOM 541 CB ARG A 39 -5.688 1.682 -15.194 1.00 0.00 C ATOM 542 CG ARG A 39 -6.648 2.042 -16.330 1.00 0.00 C ATOM 543 CD ARG A 39 -6.716 0.920 -17.367 1.00 0.00 C ATOM 544 NE ARG A 39 -7.556 1.339 -18.511 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.986 0.509 -19.472 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.655 -0.790 -19.432 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.744 0.977 -20.472 1.00 0.00 N ATOM 0 H ARG A 39 -4.186 1.586 -13.219 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.774 3.616 -15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.786 1.229 -15.605 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.150 0.938 -14.545 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.643 2.228 -15.925 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.321 2.965 -16.809 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.713 0.672 -17.713 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.128 0.019 -16.913 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.825 2.321 -18.572 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.077 -1.146 -18.671 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.982 -1.422 -20.163 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.994 1.965 -20.503 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.071 0.345 -21.203 1.00 0.00 H new ATOM 558 N GLU A 40 -7.147 2.995 -12.809 1.00 0.00 N ATOM 559 CA GLU A 40 -8.364 3.516 -12.213 1.00 0.00 C ATOM 560 C GLU A 40 -8.111 3.926 -10.760 1.00 0.00 C ATOM 561 O GLU A 40 -8.034 3.074 -9.876 1.00 0.00 O ATOM 562 CB GLU A 40 -9.501 2.495 -12.304 1.00 0.00 C ATOM 563 CG GLU A 40 -8.952 1.071 -12.392 1.00 0.00 C ATOM 564 CD GLU A 40 -10.079 0.062 -12.624 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.142 0.244 -11.990 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.853 -0.867 -13.427 1.00 0.00 O ATOM 0 H GLU A 40 -6.773 2.162 -12.355 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.668 4.401 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.147 2.586 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.115 2.707 -13.179 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.228 1.006 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.422 0.824 -11.472 1.00 0.00 H new ATOM 571 N PRO A 41 -7.985 5.264 -10.554 1.00 0.00 N ATOM 572 CA PRO A 41 -7.741 5.796 -9.224 1.00 0.00 C ATOM 573 C PRO A 41 -9.013 5.750 -8.374 1.00 0.00 C ATOM 574 O PRO A 41 -8.944 5.589 -7.156 1.00 0.00 O ATOM 575 CB PRO A 41 -7.231 7.209 -9.454 1.00 0.00 C ATOM 576 CG PRO A 41 -7.645 7.578 -10.869 1.00 0.00 C ATOM 577 CD PRO A 41 -8.070 6.302 -11.577 1.00 0.00 C ATOM 0 HA PRO A 41 -7.013 5.210 -8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.659 7.901 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.148 7.257 -9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.465 8.296 -10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.818 8.051 -11.398 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.082 6.387 -11.972 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.416 6.081 -12.421 1.00 0.00 H new ATOM 582 N GLY A 42 -10.143 5.896 -9.050 1.00 0.00 N ATOM 583 CA GLY A 42 -11.428 5.873 -8.372 1.00 0.00 C ATOM 584 C GLY A 42 -11.703 4.496 -7.762 1.00 0.00 C ATOM 585 O GLY A 42 -12.462 4.378 -6.802 1.00 0.00 O ATOM 0 H GLY A 42 -10.196 6.031 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.443 6.631 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.220 6.127 -9.077 1.00 0.00 H new ATOM 589 N LEU A 43 -11.068 3.490 -8.346 1.00 0.00 N ATOM 590 CA LEU A 43 -11.234 2.126 -7.873 1.00 0.00 C ATOM 591 C LEU A 43 -10.624 1.997 -6.475 1.00 0.00 C ATOM 592 O LEU A 43 -11.206 1.363 -5.597 1.00 0.00 O ATOM 593 CB LEU A 43 -10.661 1.133 -8.887 1.00 0.00 C ATOM 594 CG LEU A 43 -11.126 -0.317 -8.741 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.540 -0.498 -9.298 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.128 -1.280 -9.388 1.00 0.00 C ATOM 0 H LEU A 43 -10.438 3.592 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.292 1.881 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.919 1.477 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.574 1.154 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.165 -0.558 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.846 -1.538 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.231 0.147 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.551 -0.232 -10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.482 -2.304 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.034 -1.048 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.156 -1.175 -8.906 1.00 0.00 H new ATOM 607 N LEU A 44 -9.461 2.611 -6.313 1.00 0.00 N ATOM 608 CA LEU A 44 -8.767 2.573 -5.037 1.00 0.00 C ATOM 609 C LEU A 44 -7.807 3.761 -4.948 1.00 0.00 C ATOM 610 O LEU A 44 -6.854 3.854 -5.720 1.00 0.00 O ATOM 611 CB LEU A 44 -8.086 1.217 -4.837 1.00 0.00 C ATOM 612 CG LEU A 44 -6.980 1.171 -3.781 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.433 1.842 -2.483 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.504 -0.264 -3.549 1.00 0.00 C ATOM 0 H LEU A 44 -8.982 3.137 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.476 2.672 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.848 0.486 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.664 0.901 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.127 1.737 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.628 1.795 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.684 2.884 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.310 1.325 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.718 -0.269 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.340 -0.874 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.114 -0.673 -4.481 1.00 0.00 H new ATOM 625 N ALA A 45 -8.094 4.643 -4.001 1.00 0.00 N ATOM 626 CA ALA A 45 -7.269 5.821 -3.802 1.00 0.00 C ATOM 627 C ALA A 45 -6.396 5.624 -2.560 1.00 0.00 C ATOM 628 O ALA A 45 -6.891 5.231 -1.505 1.00 0.00 O ATOM 629 CB ALA A 45 -8.162 7.059 -3.695 1.00 0.00 C ATOM 0 H ALA A 45 -8.887 4.565 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.604 5.971 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.542 7.943 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.739 7.172 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.842 6.946 -2.850 1.00 0.00 H new ATOM 635 N VAL A 46 -5.112 5.906 -2.727 1.00 0.00 N ATOM 636 CA VAL A 46 -4.167 5.764 -1.633 1.00 0.00 C ATOM 637 C VAL A 46 -4.011 7.110 -0.921 1.00 0.00 C ATOM 638 O VAL A 46 -3.667 8.110 -1.548 1.00 0.00 O ATOM 639 CB VAL A 46 -2.841 5.207 -2.156 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.870 4.933 -1.006 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.068 3.948 -2.995 1.00 0.00 C ATOM 0 H VAL A 46 -4.704 6.232 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.538 5.049 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.391 5.962 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.936 4.538 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.672 5.860 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.310 4.205 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.110 3.573 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.550 3.185 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.706 4.188 -3.846 1.00 0.00 H new ATOM 651 N GLN A 47 -4.271 7.090 0.377 1.00 0.00 N ATOM 652 CA GLN A 47 -4.164 8.296 1.180 1.00 0.00 C ATOM 653 C GLN A 47 -3.139 8.100 2.300 1.00 0.00 C ATOM 654 O GLN A 47 -2.721 6.976 2.572 1.00 0.00 O ATOM 655 CB GLN A 47 -5.526 8.699 1.749 1.00 0.00 C ATOM 656 CG GLN A 47 -6.365 9.429 0.698 1.00 0.00 C ATOM 657 CD GLN A 47 -6.108 10.936 0.742 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.458 11.625 1.688 1.00 0.00 O ATOM 659 NE2 GLN A 47 -5.479 11.410 -0.329 1.00 0.00 N ATOM 0 H GLN A 47 -4.556 6.258 0.893 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.821 9.107 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.058 7.812 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.385 9.342 2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.127 9.045 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.423 9.232 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.214 10.779 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.261 12.404 -0.394 1.00 0.00 H new ATOM 666 N GLY A 48 -2.765 9.210 2.917 1.00 0.00 N ATOM 667 CA GLY A 48 -1.797 9.174 4.000 1.00 0.00 C ATOM 668 C GLY A 48 -0.417 8.752 3.490 1.00 0.00 C ATOM 669 O GLY A 48 0.362 8.147 4.223 1.00 0.00 O ATOM 0 H GLY A 48 -3.115 10.140 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.731 10.157 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.133 8.478 4.769 1.00 0.00 H new ATOM 673 N LEU A 49 -0.158 9.089 2.234 1.00 0.00 N ATOM 674 CA LEU A 49 1.113 8.753 1.617 1.00 0.00 C ATOM 675 C LEU A 49 2.197 9.696 2.146 1.00 0.00 C ATOM 676 O LEU A 49 1.891 10.719 2.755 1.00 0.00 O ATOM 677 CB LEU A 49 0.985 8.756 0.093 1.00 0.00 C ATOM 678 CG LEU A 49 0.592 7.425 -0.550 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.063 7.647 -1.915 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.794 6.482 -0.638 1.00 0.00 C ATOM 0 H LEU A 49 -0.807 9.591 1.628 1.00 0.00 H new ATOM 0 HA LEU A 49 1.412 7.740 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.245 9.505 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.937 9.074 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.149 6.944 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.333 6.685 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.960 8.254 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.636 8.160 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.487 5.543 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.575 6.944 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.177 6.286 0.364 1.00 0.00 H new ATOM 691 N PRO A 50 3.474 9.307 1.885 1.00 0.00 N ATOM 692 CA PRO A 50 4.604 10.105 2.328 1.00 0.00 C ATOM 693 C PRO A 50 4.770 11.352 1.456 1.00 0.00 C ATOM 694 O PRO A 50 5.283 11.270 0.341 1.00 0.00 O ATOM 695 CB PRO A 50 5.799 9.168 2.258 1.00 0.00 C ATOM 696 CG PRO A 50 5.382 8.028 1.342 1.00 0.00 C ATOM 697 CD PRO A 50 3.874 8.101 1.166 1.00 0.00 C ATOM 0 HA PRO A 50 4.476 10.491 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.676 9.683 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.063 8.797 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.883 8.110 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.671 7.068 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.601 8.159 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.385 7.216 1.574 1.00 0.00 H new ATOM 702 N GLU A 51 4.325 12.477 1.997 1.00 0.00 N ATOM 703 CA GLU A 51 4.417 13.738 1.282 1.00 0.00 C ATOM 704 C GLU A 51 5.660 13.753 0.390 1.00 0.00 C ATOM 705 O GLU A 51 6.688 13.175 0.740 1.00 0.00 O ATOM 706 CB GLU A 51 4.428 14.920 2.254 1.00 0.00 C ATOM 707 CG GLU A 51 5.737 14.969 3.045 1.00 0.00 C ATOM 708 CD GLU A 51 5.599 15.863 4.278 1.00 0.00 C ATOM 709 OE1 GLU A 51 5.220 17.039 4.087 1.00 0.00 O ATOM 710 OE2 GLU A 51 5.876 15.351 5.385 1.00 0.00 O ATOM 0 H GLU A 51 3.900 12.541 2.922 1.00 0.00 H new ATOM 0 HA GLU A 51 3.536 13.838 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.298 15.851 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.586 14.837 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.019 13.962 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.538 15.344 2.407 1.00 0.00 H new ATOM 715 N GLY A 52 5.525 14.419 -0.748 1.00 0.00 N ATOM 716 CA GLY A 52 6.623 14.516 -1.694 1.00 0.00 C ATOM 717 C GLY A 52 6.856 13.180 -2.402 1.00 0.00 C ATOM 718 O GLY A 52 7.997 12.744 -2.552 1.00 0.00 O ATOM 0 H GLY A 52 4.671 14.897 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.406 15.289 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.531 14.819 -1.173 1.00 0.00 H new ATOM 722 N LEU A 53 5.758 12.568 -2.820 1.00 0.00 N ATOM 723 CA LEU A 53 5.830 11.290 -3.508 1.00 0.00 C ATOM 724 C LEU A 53 4.575 11.107 -4.365 1.00 0.00 C ATOM 725 O LEU A 53 3.800 12.045 -4.545 1.00 0.00 O ATOM 726 CB LEU A 53 6.063 10.155 -2.509 1.00 0.00 C ATOM 727 CG LEU A 53 7.522 9.761 -2.272 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.639 8.761 -1.118 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.163 9.230 -3.555 1.00 0.00 C ATOM 0 H LEU A 53 4.814 12.933 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 53 6.685 11.269 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.625 10.443 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.521 9.275 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 53 8.074 10.655 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.686 8.497 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.246 9.210 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.069 7.863 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.200 8.957 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.616 8.352 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.131 10.002 -4.324 1.00 0.00 H new ATOM 740 N ALA A 54 4.415 9.893 -4.870 1.00 0.00 N ATOM 741 CA ALA A 54 3.268 9.576 -5.704 1.00 0.00 C ATOM 742 C ALA A 54 2.986 8.074 -5.625 1.00 0.00 C ATOM 743 O ALA A 54 3.913 7.265 -5.593 1.00 0.00 O ATOM 744 CB ALA A 54 3.531 10.045 -7.136 1.00 0.00 C ATOM 0 H ALA A 54 5.060 9.117 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 54 2.380 10.098 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.670 9.807 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.696 11.122 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.414 9.540 -7.528 1.00 0.00 H new ATOM 750 N PHE A 55 1.704 7.745 -5.598 1.00 0.00 N ATOM 751 CA PHE A 55 1.288 6.354 -5.523 1.00 0.00 C ATOM 752 C PHE A 55 1.784 5.568 -6.738 1.00 0.00 C ATOM 753 O PHE A 55 1.333 5.802 -7.859 1.00 0.00 O ATOM 754 CB PHE A 55 -0.242 6.344 -5.514 1.00 0.00 C ATOM 755 CG PHE A 55 -0.856 4.961 -5.738 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.415 3.896 -5.017 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.843 4.796 -6.660 1.00 0.00 C ATOM 758 CE1 PHE A 55 -0.985 2.612 -5.225 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.413 3.513 -6.868 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.972 2.448 -6.146 1.00 0.00 C ATOM 0 H PHE A 55 0.938 8.418 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 55 1.703 5.889 -4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.592 6.735 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.604 7.021 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.369 4.027 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.193 5.642 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.635 1.766 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.197 3.382 -7.599 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.406 1.472 -6.304 1.00 0.00 H new ATOM 769 N ARG A 56 2.706 4.654 -6.476 1.00 0.00 N ATOM 770 CA ARG A 56 3.268 3.832 -7.535 1.00 0.00 C ATOM 771 C ARG A 56 3.979 2.615 -6.940 1.00 0.00 C ATOM 772 O ARG A 56 4.198 2.548 -5.731 1.00 0.00 O ATOM 773 CB ARG A 56 4.260 4.630 -8.383 1.00 0.00 C ATOM 774 CG ARG A 56 4.850 5.796 -7.585 1.00 0.00 C ATOM 775 CD ARG A 56 6.258 6.139 -8.076 1.00 0.00 C ATOM 776 NE ARG A 56 6.648 7.483 -7.596 1.00 0.00 N ATOM 777 CZ ARG A 56 7.611 8.230 -8.153 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.287 7.769 -9.214 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.897 9.438 -7.649 1.00 0.00 N ATOM 0 H ARG A 56 3.078 4.464 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 56 2.447 3.502 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.062 3.975 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.759 5.010 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.205 6.670 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.883 5.537 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.969 5.395 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.289 6.110 -9.165 1.00 0.00 H new ATOM 0 HE ARG A 56 6.153 7.865 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.069 6.850 -9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.020 8.338 -9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.382 9.789 -6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.630 10.007 -8.073 1.00 0.00 H new ATOM 790 N ARG A 57 4.319 1.682 -7.817 1.00 0.00 N ATOM 791 CA ARG A 57 5.002 0.471 -7.395 1.00 0.00 C ATOM 792 C ARG A 57 6.060 0.798 -6.340 1.00 0.00 C ATOM 793 O ARG A 57 6.646 1.879 -6.357 1.00 0.00 O ATOM 794 CB ARG A 57 5.671 -0.227 -8.581 1.00 0.00 C ATOM 795 CG ARG A 57 4.984 -1.558 -8.893 1.00 0.00 C ATOM 796 CD ARG A 57 5.479 -2.133 -10.222 1.00 0.00 C ATOM 797 NE ARG A 57 4.346 -2.720 -10.972 1.00 0.00 N ATOM 798 CZ ARG A 57 4.480 -3.645 -11.931 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.698 -4.094 -12.264 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.396 -4.122 -12.559 1.00 0.00 N ATOM 0 H ARG A 57 4.134 1.740 -8.818 1.00 0.00 H new ATOM 0 HA ARG A 57 4.255 -0.199 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.633 0.420 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.724 -0.401 -8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.179 -2.269 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.905 -1.413 -8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.951 -1.349 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.238 -2.894 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 57 3.405 -2.400 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.523 -3.731 -11.787 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.800 -4.799 -12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.469 -3.780 -12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.499 -4.827 -13.289 1.00 0.00 H new ATOM 811 N PRO A 58 6.281 -0.182 -5.424 1.00 0.00 N ATOM 812 CA PRO A 58 7.260 -0.009 -4.364 1.00 0.00 C ATOM 813 C PRO A 58 8.684 -0.147 -4.905 1.00 0.00 C ATOM 814 O PRO A 58 9.636 0.321 -4.283 1.00 0.00 O ATOM 815 CB PRO A 58 6.912 -1.068 -3.330 1.00 0.00 C ATOM 816 CG PRO A 58 6.051 -2.091 -4.055 1.00 0.00 C ATOM 817 CD PRO A 58 5.607 -1.477 -5.372 1.00 0.00 C ATOM 0 HA PRO A 58 7.229 0.986 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.813 -1.531 -2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.374 -0.631 -2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.614 -3.007 -4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.186 -2.360 -3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.890 -2.105 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.524 -1.361 -5.410 1.00 0.00 H new ATOM 822 N ALA A 59 8.785 -0.793 -6.057 1.00 0.00 N ATOM 823 CA ALA A 59 10.078 -0.997 -6.690 1.00 0.00 C ATOM 824 C ALA A 59 10.425 0.227 -7.538 1.00 0.00 C ATOM 825 O ALA A 59 11.565 0.379 -7.977 1.00 0.00 O ATOM 826 CB ALA A 59 10.045 -2.287 -7.511 1.00 0.00 C ATOM 0 H ALA A 59 7.993 -1.182 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 59 10.860 -1.108 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.014 -2.441 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.824 -3.130 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.273 -2.211 -8.277 1.00 0.00 H new ATOM 832 N GLU A 60 9.423 1.068 -7.745 1.00 0.00 N ATOM 833 CA GLU A 60 9.609 2.274 -8.534 1.00 0.00 C ATOM 834 C GLU A 60 9.970 3.451 -7.626 1.00 0.00 C ATOM 835 O GLU A 60 10.465 4.475 -8.097 1.00 0.00 O ATOM 836 CB GLU A 60 8.362 2.584 -9.364 1.00 0.00 C ATOM 837 CG GLU A 60 8.214 1.595 -10.522 1.00 0.00 C ATOM 838 CD GLU A 60 8.149 2.328 -11.863 1.00 0.00 C ATOM 839 OE1 GLU A 60 9.237 2.634 -12.396 1.00 0.00 O ATOM 840 OE2 GLU A 60 7.011 2.567 -12.325 1.00 0.00 O ATOM 0 H GLU A 60 8.479 0.938 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 60 10.434 2.108 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.478 2.540 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.424 3.600 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.055 0.902 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.311 1.000 -10.384 1.00 0.00 H new ATOM 845 N TYR A 61 9.711 3.267 -6.340 1.00 0.00 N ATOM 846 CA TYR A 61 10.003 4.302 -5.362 1.00 0.00 C ATOM 847 C TYR A 61 11.508 4.409 -5.110 1.00 0.00 C ATOM 848 O TYR A 61 12.276 3.549 -5.539 1.00 0.00 O ATOM 849 CB TYR A 61 9.310 3.866 -4.068 1.00 0.00 C ATOM 850 CG TYR A 61 7.895 4.421 -3.904 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.603 5.705 -4.317 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.908 3.637 -3.342 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.270 6.227 -4.161 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.575 4.158 -3.186 1.00 0.00 C ATOM 855 CZ TYR A 61 5.322 5.428 -3.604 1.00 0.00 C ATOM 856 OH TYR A 61 4.063 5.920 -3.457 1.00 0.00 O ATOM 0 H TYR A 61 9.302 2.417 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 61 9.657 5.273 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.268 2.777 -4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.915 4.184 -3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.375 6.319 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.136 2.632 -3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.029 7.230 -4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.794 3.555 -2.747 1.00 0.00 H new ATOM 0 HH TYR A 61 3.743 6.263 -4.317 1.00 0.00 H new ATOM 865 N ASP A 62 11.885 5.472 -4.415 1.00 0.00 N ATOM 866 CA ASP A 62 13.285 5.702 -4.101 1.00 0.00 C ATOM 867 C ASP A 62 13.629 5.002 -2.785 1.00 0.00 C ATOM 868 O ASP A 62 12.780 4.345 -2.186 1.00 0.00 O ATOM 869 CB ASP A 62 13.572 7.196 -3.931 1.00 0.00 C ATOM 870 CG ASP A 62 12.448 8.127 -4.389 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.920 7.877 -5.494 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.143 9.067 -3.624 1.00 0.00 O ATOM 0 H ASP A 62 11.246 6.183 -4.061 1.00 0.00 H new ATOM 0 HA ASP A 62 13.885 5.310 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.781 7.393 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.477 7.442 -4.487 1.00 0.00 H new ATOM 876 N PRO A 63 14.911 5.171 -2.363 1.00 0.00 N ATOM 877 CA PRO A 63 15.380 4.562 -1.129 1.00 0.00 C ATOM 878 C PRO A 63 14.842 5.314 0.091 1.00 0.00 C ATOM 879 O PRO A 63 14.442 4.697 1.077 1.00 0.00 O ATOM 880 CB PRO A 63 16.896 4.594 -1.225 1.00 0.00 C ATOM 881 CG PRO A 63 17.225 5.630 -2.287 1.00 0.00 C ATOM 882 CD PRO A 63 15.945 5.942 -3.046 1.00 0.00 C ATOM 0 HA PRO A 63 15.024 3.539 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.342 4.861 -0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.291 3.615 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.626 6.533 -1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.989 5.251 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.722 7.009 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 63 16.026 5.654 -4.094 1.00 0.00 H new ATOM 887 N LYS A 64 14.851 6.634 -0.016 1.00 0.00 N ATOM 888 CA LYS A 64 14.370 7.475 1.066 1.00 0.00 C ATOM 889 C LYS A 64 12.842 7.419 1.109 1.00 0.00 C ATOM 890 O LYS A 64 12.237 7.674 2.149 1.00 0.00 O ATOM 891 CB LYS A 64 14.930 8.893 0.932 1.00 0.00 C ATOM 892 CG LYS A 64 16.380 8.958 1.414 1.00 0.00 C ATOM 893 CD LYS A 64 17.352 8.954 0.231 1.00 0.00 C ATOM 894 CE LYS A 64 18.468 9.980 0.435 1.00 0.00 C ATOM 895 NZ LYS A 64 18.026 11.322 -0.008 1.00 0.00 N ATOM 0 H LYS A 64 15.184 7.142 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 64 14.730 7.104 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.874 9.213 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.319 9.585 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.529 9.859 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.589 8.109 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.784 7.960 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.812 9.177 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.752 10.013 1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.354 9.679 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.795 12.006 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.777 11.290 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.194 11.613 0.544 1.00 0.00 H new ATOM 905 N ALA A 65 12.261 7.085 -0.034 1.00 0.00 N ATOM 906 CA ALA A 65 10.815 6.992 -0.140 1.00 0.00 C ATOM 907 C ALA A 65 10.321 5.812 0.700 1.00 0.00 C ATOM 908 O ALA A 65 9.526 5.991 1.621 1.00 0.00 O ATOM 909 CB ALA A 65 10.418 6.866 -1.612 1.00 0.00 C ATOM 0 H ALA A 65 12.766 6.875 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 65 10.343 7.894 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.333 6.796 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.766 7.742 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.871 5.970 -2.036 1.00 0.00 H new ATOM 915 N LEU A 66 10.812 4.632 0.351 1.00 0.00 N ATOM 916 CA LEU A 66 10.431 3.423 1.061 1.00 0.00 C ATOM 917 C LEU A 66 10.529 3.669 2.567 1.00 0.00 C ATOM 918 O LEU A 66 9.671 3.229 3.330 1.00 0.00 O ATOM 919 CB LEU A 66 11.260 2.232 0.576 1.00 0.00 C ATOM 920 CG LEU A 66 11.175 1.919 -0.918 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.216 0.873 -1.320 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.757 1.496 -1.310 1.00 0.00 C ATOM 0 H LEU A 66 11.471 4.487 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 66 9.393 3.167 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.304 2.414 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.947 1.347 1.131 1.00 0.00 H new ATOM 0 HG LEU A 66 11.404 2.830 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.133 0.669 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.215 1.250 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.043 -0.046 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.724 1.279 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.475 0.604 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.061 2.303 -1.082 1.00 0.00 H new ATOM 933 N MET A 67 11.585 4.372 2.952 1.00 0.00 N ATOM 934 CA MET A 67 11.807 4.683 4.354 1.00 0.00 C ATOM 935 C MET A 67 10.762 5.673 4.869 1.00 0.00 C ATOM 936 O MET A 67 10.391 5.638 6.042 1.00 0.00 O ATOM 937 CB MET A 67 13.205 5.278 4.531 1.00 0.00 C ATOM 938 CG MET A 67 14.237 4.182 4.807 1.00 0.00 C ATOM 939 SD MET A 67 15.882 4.873 4.783 1.00 0.00 S ATOM 940 CE MET A 67 16.273 4.686 3.052 1.00 0.00 C ATOM 0 H MET A 67 12.296 4.735 2.317 1.00 0.00 H new ATOM 0 HA MET A 67 11.720 3.761 4.928 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.486 5.829 3.633 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.199 5.992 5.355 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.041 3.722 5.776 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.153 3.395 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.262 4.240 2.949 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.533 4.041 2.579 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.264 5.663 2.569 1.00 0.00 H new ATOM 948 N ALA A 68 10.314 6.535 3.967 1.00 0.00 N ATOM 949 CA ALA A 68 9.319 7.534 4.316 1.00 0.00 C ATOM 950 C ALA A 68 7.928 6.896 4.277 1.00 0.00 C ATOM 951 O ALA A 68 6.992 7.404 4.892 1.00 0.00 O ATOM 952 CB ALA A 68 9.439 8.727 3.366 1.00 0.00 C ATOM 0 H ALA A 68 10.622 6.562 2.995 1.00 0.00 H new ATOM 0 HA ALA A 68 9.485 7.904 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.692 9.477 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.435 9.161 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.275 8.394 2.341 1.00 0.00 H new ATOM 958 N ILE A 69 7.837 5.793 3.549 1.00 0.00 N ATOM 959 CA ILE A 69 6.577 5.082 3.423 1.00 0.00 C ATOM 960 C ILE A 69 6.320 4.279 4.700 1.00 0.00 C ATOM 961 O ILE A 69 5.198 4.252 5.205 1.00 0.00 O ATOM 962 CB ILE A 69 6.567 4.232 2.150 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.703 5.110 0.905 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.321 3.345 2.094 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.423 4.359 -0.218 1.00 0.00 C ATOM 0 H ILE A 69 8.616 5.374 3.040 1.00 0.00 H new ATOM 0 HA ILE A 69 5.751 5.785 3.316 1.00 0.00 H new ATOM 0 HB ILE A 69 7.433 3.570 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.715 5.421 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.255 6.017 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.338 2.751 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.308 2.681 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.428 3.970 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.507 5.005 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.419 4.071 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.856 3.466 -0.480 1.00 0.00 H new ATOM 976 N LEU A 70 7.376 3.645 5.186 1.00 0.00 N ATOM 977 CA LEU A 70 7.278 2.844 6.395 1.00 0.00 C ATOM 978 C LEU A 70 7.062 3.766 7.596 1.00 0.00 C ATOM 979 O LEU A 70 6.472 3.360 8.596 1.00 0.00 O ATOM 980 CB LEU A 70 8.498 1.930 6.533 1.00 0.00 C ATOM 981 CG LEU A 70 8.866 1.111 5.294 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.378 0.901 5.205 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.101 -0.213 5.266 1.00 0.00 C ATOM 0 H LEU A 70 8.305 3.669 4.765 1.00 0.00 H new ATOM 0 HA LEU A 70 6.415 2.180 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.357 2.542 6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.320 1.242 7.359 1.00 0.00 H new ATOM 0 HG LEU A 70 8.567 1.675 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.612 0.316 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.877 1.868 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.724 0.369 6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.381 -0.776 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.347 -0.794 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.030 -0.014 5.248 1.00 0.00 H new ATOM 994 N GLU A 71 7.551 4.990 7.459 1.00 0.00 N ATOM 995 CA GLU A 71 7.418 5.973 8.520 1.00 0.00 C ATOM 996 C GLU A 71 6.054 6.662 8.437 1.00 0.00 C ATOM 997 O GLU A 71 5.429 6.934 9.461 1.00 0.00 O ATOM 998 CB GLU A 71 8.554 6.996 8.466 1.00 0.00 C ATOM 999 CG GLU A 71 9.824 6.440 9.113 1.00 0.00 C ATOM 1000 CD GLU A 71 10.849 7.550 9.352 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.656 8.300 10.331 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.805 7.622 8.548 1.00 0.00 O ATOM 0 H GLU A 71 8.040 5.323 6.628 1.00 0.00 H new ATOM 0 HA GLU A 71 7.485 5.457 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.757 7.264 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.251 7.909 8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.574 5.961 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.257 5.672 8.472 1.00 0.00 H new ATOM 1007 N HIS A 72 5.634 6.926 7.209 1.00 0.00 N ATOM 1008 CA HIS A 72 4.357 7.579 6.979 1.00 0.00 C ATOM 1009 C HIS A 72 3.246 6.529 6.924 1.00 0.00 C ATOM 1010 O HIS A 72 2.064 6.870 6.930 1.00 0.00 O ATOM 1011 CB HIS A 72 4.410 8.452 5.723 1.00 0.00 C ATOM 1012 CG HIS A 72 5.372 9.611 5.821 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.040 10.896 5.428 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.659 9.667 6.271 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.087 11.680 5.636 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.089 10.917 6.159 1.00 0.00 N ATOM 0 H HIS A 72 6.156 6.699 6.362 1.00 0.00 H new ATOM 0 HA HIS A 72 4.134 8.251 7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.691 7.831 4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.411 8.838 5.519 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.231 8.835 6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.138 12.739 5.428 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.016 11.252 6.421 1.00 0.00 H new ATOM 1023 N SER A 73 3.664 5.273 6.874 1.00 0.00 N ATOM 1024 CA SER A 73 2.720 4.171 6.818 1.00 0.00 C ATOM 1025 C SER A 73 1.620 4.371 7.863 1.00 0.00 C ATOM 1026 O SER A 73 0.443 4.161 7.577 1.00 0.00 O ATOM 1027 CB SER A 73 3.424 2.830 7.041 1.00 0.00 C ATOM 1028 OG SER A 73 3.278 2.365 8.380 1.00 0.00 O ATOM 0 H SER A 73 4.645 4.994 6.871 1.00 0.00 H new ATOM 0 HA SER A 73 2.272 4.155 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.017 2.088 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.484 2.934 6.807 1.00 0.00 H new ATOM 0 HG SER A 73 3.740 1.507 8.480 1.00 0.00 H new ATOM 1033 N HIS A 74 2.043 4.776 9.051 1.00 0.00 N ATOM 1034 CA HIS A 74 1.108 5.007 10.140 1.00 0.00 C ATOM 1035 C HIS A 74 -0.039 5.895 9.651 1.00 0.00 C ATOM 1036 O HIS A 74 -1.129 5.876 10.220 1.00 0.00 O ATOM 1037 CB HIS A 74 1.828 5.586 11.359 1.00 0.00 C ATOM 1038 CG HIS A 74 1.692 7.084 11.499 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.540 7.692 11.968 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.574 8.088 11.228 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.731 9.003 11.974 1.00 0.00 C ATOM 1042 NE2 HIS A 74 1.993 9.246 11.515 1.00 0.00 N ATOM 0 H HIS A 74 3.021 4.950 9.284 1.00 0.00 H new ATOM 0 HA HIS A 74 0.676 4.059 10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.437 5.110 12.259 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.886 5.332 11.298 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.311 7.212 12.260 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.576 7.962 10.845 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.014 9.748 12.287 1.00 0.00 H new ATOM 1049 N ARG A 75 0.248 6.652 8.601 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.746 7.545 8.030 1.00 0.00 C ATOM 1051 C ARG A 75 -1.353 6.926 6.769 1.00 0.00 C ATOM 1052 O ARG A 75 -2.539 7.100 6.496 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.132 8.901 7.680 1.00 0.00 C ATOM 1054 CG ARG A 75 0.952 9.288 8.687 1.00 0.00 C ATOM 1055 CD ARG A 75 0.959 10.798 8.933 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.375 11.241 9.398 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.721 12.523 9.573 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.165 13.497 9.324 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -1.955 12.832 9.997 1.00 0.00 N ATOM 0 H ARG A 75 1.154 6.665 8.132 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.526 7.695 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.295 8.863 6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.910 9.664 7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.783 8.764 9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.927 8.972 8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.715 11.050 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.227 11.323 8.016 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.074 10.525 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.104 13.262 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.099 14.473 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.630 12.091 10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.219 13.808 10.130 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.510 6.216 6.032 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.948 5.571 4.806 1.00 0.00 C ATOM 1072 C ILE A 76 -2.266 4.841 5.062 1.00 0.00 C ATOM 1073 O ILE A 76 -2.333 3.949 5.907 1.00 0.00 O ATOM 1074 CB ILE A 76 0.157 4.670 4.251 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.426 5.475 3.958 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.329 3.900 3.022 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.489 4.598 3.292 1.00 0.00 C ATOM 0 H ILE A 76 0.474 6.074 6.261 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.140 6.314 4.032 1.00 0.00 H new ATOM 0 HB ILE A 76 0.412 3.933 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.185 6.317 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.820 5.890 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.476 3.267 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.182 3.279 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.628 4.605 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.380 5.193 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.745 3.771 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.100 4.205 2.353 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.285 5.245 4.318 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.599 4.640 4.453 1.00 0.00 C ATOM 1090 C ARG A 77 -5.207 4.377 3.075 1.00 0.00 C ATOM 1091 O ARG A 77 -5.255 5.272 2.232 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.540 5.540 5.256 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.324 5.356 6.760 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.502 4.615 7.396 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.377 4.638 8.870 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.407 4.480 9.714 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -8.643 4.285 9.234 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -7.200 4.515 11.037 1.00 0.00 N ATOM 0 H ARG A 77 -3.227 5.985 3.619 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.476 3.696 4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.371 6.582 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.575 5.309 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.403 4.799 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.202 6.329 7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.441 5.080 7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.529 3.585 7.041 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.450 4.783 9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.800 4.257 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.426 4.165 9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.259 4.662 11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.983 4.395 11.679 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.659 3.146 2.886 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.262 2.755 1.624 1.00 0.00 C ATOM 1111 C PHE A 78 -7.754 3.097 1.600 1.00 0.00 C ATOM 1112 O PHE A 78 -8.432 3.006 2.623 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.097 1.238 1.500 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.745 0.805 0.931 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.594 1.214 1.528 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.694 0.010 -0.171 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.338 0.811 1.000 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.439 -0.393 -0.699 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.287 0.016 -0.102 1.00 0.00 C ATOM 0 H PHE A 78 -5.619 2.406 3.587 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.781 3.285 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.227 0.787 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.890 0.847 0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.634 1.845 2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.608 -0.315 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.424 1.136 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.399 -1.024 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.332 -0.291 -0.503 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.221 3.484 0.423 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.619 3.840 0.252 1.00 0.00 C ATOM 1130 C LYS A 79 -10.184 3.107 -0.967 1.00 0.00 C ATOM 1131 O LYS A 79 -9.737 3.330 -2.091 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.780 5.361 0.184 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.009 5.950 1.577 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.500 5.978 1.922 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.201 7.149 1.232 1.00 0.00 C ATOM 1136 NZ LYS A 79 -12.236 8.330 2.124 1.00 0.00 N ATOM 0 H LYS A 79 -7.656 3.559 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.202 3.518 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.889 5.805 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.619 5.613 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.471 5.359 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.603 6.961 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.965 5.041 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.626 6.060 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.680 7.399 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.216 6.862 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.715 9.116 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.753 8.092 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.264 8.612 2.365 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.155 2.247 -0.702 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.785 1.479 -1.763 1.00 0.00 C ATOM 1148 C LEU A 80 -13.012 2.235 -2.273 1.00 0.00 C ATOM 1149 O LEU A 80 -13.665 2.952 -1.515 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.092 0.058 -1.287 1.00 0.00 C ATOM 1151 CG LEU A 80 -10.942 -0.947 -1.390 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.403 -2.350 -0.992 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.317 -0.924 -2.786 1.00 0.00 C ATOM 0 H LEU A 80 -11.522 2.064 0.232 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.105 1.367 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.414 0.106 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.934 -0.323 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.166 -0.651 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.567 -3.045 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.764 -2.336 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.207 -2.670 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.503 -1.647 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.073 -1.182 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.929 0.073 -2.995 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.292 2.050 -3.555 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.430 2.705 -4.177 1.00 0.00 C ATOM 1166 C LYS A 81 -15.657 2.547 -3.276 1.00 0.00 C ATOM 1167 O LYS A 81 -15.858 1.494 -2.673 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.640 2.181 -5.599 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.304 0.803 -5.583 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.490 -0.207 -6.395 1.00 0.00 C ATOM 1171 CE LYS A 81 -15.337 -0.822 -7.512 1.00 0.00 C ATOM 1172 NZ LYS A 81 -15.081 -2.276 -7.615 1.00 0.00 N ATOM 0 H LYS A 81 -12.749 1.455 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.244 3.774 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.259 2.881 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.681 2.121 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.402 0.454 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.312 0.876 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.617 0.285 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.121 -0.994 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.394 -0.646 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.106 -0.338 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.499 -2.641 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.055 -2.448 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.508 -2.762 -6.801 1.00 0.00 H new