USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -118:sc= -0.0903 (180deg=-0.61) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= -0.618 USER MOD Set 2.2: A 7 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.41 F(o=-3.6!,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.35! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.8! C(o=-7.8!,f=-17!) USER MOD Single : A 33 MET CE :methyl -163:sc= -9.22! (180deg=-10.4!) USER MOD Single : A 34 GLN : amide:sc=-0.000204 K(o=-0.0002,f=-2.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -71:sc= -5.57! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0096 USER MOD Single : A 56 CYS SG : rot -100:sc= -15.5! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -8.81! C(o=-8.8!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.995! USER MOD Single : A 75 TYR OH : rot 175:sc= -11.1! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.866 4.384 1.574 1.00 0.00 N ATOM 66 CA PHE A 5 -9.839 4.073 2.605 1.00 0.00 C ATOM 67 C PHE A 5 -10.518 3.745 3.932 1.00 0.00 C ATOM 68 O PHE A 5 -9.898 3.779 4.976 1.00 0.00 O ATOM 69 CB PHE A 5 -8.919 5.281 2.784 1.00 0.00 C ATOM 70 CG PHE A 5 -7.749 5.171 1.832 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.796 4.283 0.750 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.614 5.956 2.028 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.707 4.190 -0.124 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.538 5.856 1.142 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.580 4.978 0.075 1.00 0.00 C ATOM 0 HA PHE A 5 -9.253 3.212 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.470 6.202 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.561 5.329 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.671 3.671 0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.566 6.640 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.743 3.503 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.664 6.472 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.741 4.905 -0.601 1.00 0.00 H new ATOM 85 N SER A 6 -11.787 3.439 3.900 1.00 0.00 N ATOM 86 CA SER A 6 -12.511 3.106 5.159 1.00 0.00 C ATOM 87 C SER A 6 -11.648 2.170 6.011 1.00 0.00 C ATOM 88 O SER A 6 -10.593 1.734 5.601 1.00 0.00 O ATOM 89 CB SER A 6 -13.829 2.412 4.821 1.00 0.00 C ATOM 90 OG SER A 6 -14.318 1.743 5.977 1.00 0.00 O ATOM 0 H SER A 6 -12.355 3.405 3.053 1.00 0.00 H new ATOM 0 HA SER A 6 -12.714 4.022 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.559 3.143 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.680 1.699 4.010 1.00 0.00 H new ATOM 0 HG SER A 6 -15.165 1.298 5.764 1.00 0.00 H new ATOM 96 N SER A 7 -12.087 1.855 7.196 1.00 0.00 N ATOM 97 CA SER A 7 -11.275 0.959 8.067 1.00 0.00 C ATOM 98 C SER A 7 -10.789 -0.246 7.250 1.00 0.00 C ATOM 99 O SER A 7 -11.553 -1.147 6.965 1.00 0.00 O ATOM 100 CB SER A 7 -12.140 0.463 9.227 1.00 0.00 C ATOM 101 OG SER A 7 -13.495 0.394 8.805 1.00 0.00 O ATOM 0 H SER A 7 -12.967 2.176 7.599 1.00 0.00 H new ATOM 0 HA SER A 7 -10.417 1.508 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.799 -0.519 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.046 1.136 10.080 1.00 0.00 H new ATOM 0 HG SER A 7 -14.052 0.075 9.545 1.00 0.00 H new ATOM 107 N PRO A 8 -9.523 -0.220 6.894 1.00 0.00 N ATOM 108 CA PRO A 8 -8.897 -1.297 6.104 1.00 0.00 C ATOM 109 C PRO A 8 -8.652 -2.523 6.983 1.00 0.00 C ATOM 110 O PRO A 8 -8.735 -2.460 8.193 1.00 0.00 O ATOM 111 CB PRO A 8 -7.579 -0.681 5.628 1.00 0.00 C ATOM 112 CG PRO A 8 -7.259 0.469 6.608 1.00 0.00 C ATOM 113 CD PRO A 8 -8.595 0.873 7.259 1.00 0.00 C ATOM 0 HA PRO A 8 -9.516 -1.640 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.781 -1.424 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.670 -0.308 4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.541 0.147 7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.812 1.313 6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.498 0.968 8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.946 1.835 6.884 1.00 0.00 H new ATOM 121 N ASP A 9 -8.344 -3.640 6.384 1.00 0.00 N ATOM 122 CA ASP A 9 -8.089 -4.867 7.189 1.00 0.00 C ATOM 123 C ASP A 9 -6.660 -4.823 7.734 1.00 0.00 C ATOM 124 O ASP A 9 -6.344 -5.447 8.727 1.00 0.00 O ATOM 125 CB ASP A 9 -8.263 -6.100 6.301 1.00 0.00 C ATOM 126 CG ASP A 9 -9.732 -6.234 5.893 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.527 -5.425 6.344 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.037 -7.142 5.138 1.00 0.00 O ATOM 0 H ASP A 9 -8.258 -3.756 5.374 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.793 -4.917 8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.635 -6.014 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.940 -6.994 6.835 1.00 0.00 H new ATOM 133 N HIS A 10 -5.795 -4.090 7.088 1.00 0.00 N ATOM 134 CA HIS A 10 -4.386 -4.004 7.562 1.00 0.00 C ATOM 135 C HIS A 10 -3.850 -2.597 7.296 1.00 0.00 C ATOM 136 O HIS A 10 -4.522 -1.777 6.713 1.00 0.00 O ATOM 137 CB HIS A 10 -3.545 -5.021 6.794 1.00 0.00 C ATOM 138 CG HIS A 10 -3.709 -6.379 7.416 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.797 -7.208 7.528 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.660 -7.045 8.029 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.433 -8.371 8.199 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.134 -8.221 8.479 1.00 0.00 N flip ATOM 0 H HIS A 10 -6.004 -3.546 6.251 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.338 -4.215 8.630 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.853 -5.048 5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.496 -4.727 6.809 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.646 -6.686 8.128 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.064 -9.214 8.442 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.571 -8.913 8.973 1.00 0.00 H new ATOM 150 N THR A 11 -2.650 -2.304 7.722 1.00 0.00 N ATOM 151 CA THR A 11 -2.085 -0.946 7.482 1.00 0.00 C ATOM 152 C THR A 11 -0.574 -1.052 7.252 1.00 0.00 C ATOM 153 O THR A 11 0.050 -2.034 7.602 1.00 0.00 O ATOM 154 CB THR A 11 -2.340 -0.076 8.705 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.733 -0.058 8.990 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.847 1.350 8.441 1.00 0.00 C ATOM 0 H THR A 11 -2.038 -2.946 8.225 1.00 0.00 H new ATOM 0 HA THR A 11 -2.559 -0.505 6.605 1.00 0.00 H new ATOM 0 HB THR A 11 -1.800 -0.486 9.559 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.898 0.501 9.778 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.032 1.968 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.778 1.332 8.229 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.379 1.767 7.586 1.00 0.00 H new ATOM 164 N LEU A 12 0.019 -0.042 6.678 1.00 0.00 N ATOM 165 CA LEU A 12 1.491 -0.075 6.440 1.00 0.00 C ATOM 166 C LEU A 12 2.066 1.333 6.528 1.00 0.00 C ATOM 167 O LEU A 12 1.890 2.135 5.639 1.00 0.00 O ATOM 168 CB LEU A 12 1.786 -0.614 5.039 1.00 0.00 C ATOM 169 CG LEU A 12 3.256 -0.306 4.652 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.168 -0.533 5.861 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.692 -1.246 3.536 1.00 0.00 C ATOM 0 H LEU A 12 -0.452 0.806 6.363 1.00 0.00 H new ATOM 0 HA LEU A 12 1.942 -0.718 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.611 -1.689 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.108 -0.161 4.316 1.00 0.00 H new ATOM 0 HG LEU A 12 3.327 0.731 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.200 -0.315 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.864 0.125 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.090 -1.571 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.725 -1.031 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.614 -2.278 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.049 -1.102 2.667 1.00 0.00 H new ATOM 183 N ASP A 13 2.797 1.626 7.557 1.00 0.00 N ATOM 184 CA ASP A 13 3.416 2.971 7.642 1.00 0.00 C ATOM 185 C ASP A 13 4.591 2.987 6.668 1.00 0.00 C ATOM 186 O ASP A 13 5.380 2.063 6.632 1.00 0.00 O ATOM 187 CB ASP A 13 3.915 3.227 9.066 1.00 0.00 C ATOM 188 CG ASP A 13 4.291 4.701 9.220 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.423 5.479 9.579 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.441 5.028 8.975 1.00 0.00 O ATOM 0 H ASP A 13 2.993 1.000 8.338 1.00 0.00 H new ATOM 0 HA ASP A 13 2.693 3.748 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.141 2.961 9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.779 2.597 9.278 1.00 0.00 H new ATOM 195 N ALA A 14 4.744 4.016 5.884 1.00 0.00 N ATOM 196 CA ALA A 14 5.897 4.033 4.945 1.00 0.00 C ATOM 197 C ALA A 14 6.463 5.450 4.927 1.00 0.00 C ATOM 198 O ALA A 14 7.240 5.867 4.067 1.00 0.00 O ATOM 199 CB ALA A 14 5.461 3.551 3.570 1.00 0.00 C ATOM 0 H ALA A 14 4.133 4.832 5.852 1.00 0.00 H new ATOM 0 HA ALA A 14 6.683 3.350 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.314 3.568 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.078 2.533 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.679 4.206 3.186 1.00 0.00 H new ATOM 205 N LEU A 15 6.091 6.167 5.940 1.00 0.00 N ATOM 206 CA LEU A 15 6.584 7.527 6.146 1.00 0.00 C ATOM 207 C LEU A 15 7.948 7.384 6.788 1.00 0.00 C ATOM 208 O LEU A 15 8.083 6.996 7.931 1.00 0.00 O ATOM 209 CB LEU A 15 5.647 8.261 7.074 1.00 0.00 C ATOM 210 CG LEU A 15 4.208 7.803 6.834 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.257 8.632 7.688 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.865 7.990 5.359 1.00 0.00 C ATOM 0 H LEU A 15 5.440 5.844 6.656 1.00 0.00 H new ATOM 0 HA LEU A 15 6.644 8.087 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.929 8.075 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.727 9.336 6.910 1.00 0.00 H new ATOM 0 HG LEU A 15 4.108 6.752 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.232 8.303 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.507 8.502 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.351 9.684 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.840 7.665 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.964 9.042 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.546 7.396 4.749 1.00 0.00 H new ATOM 224 N GLY A 16 8.952 7.626 6.030 1.00 0.00 N ATOM 225 CA GLY A 16 10.332 7.437 6.537 1.00 0.00 C ATOM 226 C GLY A 16 10.822 6.085 6.008 1.00 0.00 C ATOM 227 O GLY A 16 11.963 5.707 6.183 1.00 0.00 O ATOM 0 H GLY A 16 8.886 7.952 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.982 8.243 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.348 7.454 7.627 1.00 0.00 H new ATOM 231 N LEU A 17 9.953 5.369 5.330 1.00 0.00 N ATOM 232 CA LEU A 17 10.326 4.063 4.746 1.00 0.00 C ATOM 233 C LEU A 17 10.725 4.312 3.322 1.00 0.00 C ATOM 234 O LEU A 17 10.195 5.183 2.674 1.00 0.00 O ATOM 235 CB LEU A 17 9.121 3.129 4.718 1.00 0.00 C ATOM 236 CG LEU A 17 8.718 2.707 6.123 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.087 1.325 6.037 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.936 2.630 7.028 1.00 0.00 C ATOM 0 H LEU A 17 8.987 5.650 5.160 1.00 0.00 H new ATOM 0 HA LEU A 17 11.125 3.613 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.283 3.627 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.356 2.246 4.124 1.00 0.00 H new ATOM 0 HG LEU A 17 8.020 3.436 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.789 0.999 7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.210 1.365 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.809 0.620 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.627 2.327 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.640 1.900 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.415 3.608 7.077 1.00 0.00 H new ATOM 250 N ARG A 18 11.623 3.561 2.808 1.00 0.00 N ATOM 251 CA ARG A 18 11.993 3.796 1.403 1.00 0.00 C ATOM 252 C ARG A 18 12.268 2.474 0.727 1.00 0.00 C ATOM 253 O ARG A 18 12.739 1.539 1.338 1.00 0.00 O ATOM 254 CB ARG A 18 13.198 4.707 1.341 1.00 0.00 C ATOM 255 CG ARG A 18 14.201 4.317 2.427 1.00 0.00 C ATOM 256 CD ARG A 18 15.403 5.260 2.375 1.00 0.00 C ATOM 257 NE ARG A 18 16.648 4.493 2.658 1.00 0.00 N ATOM 258 CZ ARG A 18 17.403 4.821 3.670 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.995 5.984 3.694 1.00 0.00 N ATOM 260 NH2 ARG A 18 17.568 3.985 4.659 1.00 0.00 N ATOM 0 H ARG A 18 12.115 2.804 3.283 1.00 0.00 H new ATOM 0 HA ARG A 18 11.172 4.284 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.667 4.638 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.889 5.744 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.728 4.367 3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.527 3.287 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.468 5.730 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.283 6.061 3.105 1.00 0.00 H new ATOM 0 HE ARG A 18 16.911 3.710 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.867 6.637 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.585 6.240 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.107 3.075 4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.158 4.241 5.450 1.00 0.00 H new ATOM 274 N CYS A 19 11.972 2.382 -0.523 1.00 0.00 N ATOM 275 CA CYS A 19 12.200 1.094 -1.232 1.00 0.00 C ATOM 276 C CYS A 19 13.594 0.587 -0.889 1.00 0.00 C ATOM 277 O CYS A 19 14.524 1.363 -0.791 1.00 0.00 O ATOM 278 CB CYS A 19 12.080 1.314 -2.737 1.00 0.00 C ATOM 279 SG CYS A 19 12.719 -0.128 -3.628 1.00 0.00 S ATOM 0 H CYS A 19 11.583 3.134 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 19 11.457 0.359 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.038 1.485 -3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.635 2.206 -3.028 1.00 0.00 H new ATOM 0 HG CYS A 19 12.610 0.070 -4.908 1.00 0.00 H new ATOM 285 N PRO A 20 13.707 -0.705 -0.723 1.00 0.00 N ATOM 286 CA PRO A 20 12.585 -1.670 -0.839 1.00 0.00 C ATOM 287 C PRO A 20 11.855 -1.860 0.505 1.00 0.00 C ATOM 288 O PRO A 20 11.005 -2.710 0.632 1.00 0.00 O ATOM 289 CB PRO A 20 13.298 -2.976 -1.179 1.00 0.00 C ATOM 290 CG PRO A 20 14.741 -2.836 -0.632 1.00 0.00 C ATOM 291 CD PRO A 20 15.002 -1.336 -0.427 1.00 0.00 C ATOM 0 HA PRO A 20 11.839 -1.343 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.790 -3.827 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.305 -3.147 -2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.851 -3.378 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.461 -3.260 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.326 -1.123 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.785 -0.972 -1.093 1.00 0.00 H new ATOM 299 N GLU A 21 12.239 -1.135 1.515 1.00 0.00 N ATOM 300 CA GLU A 21 11.628 -1.323 2.882 1.00 0.00 C ATOM 301 C GLU A 21 10.097 -1.252 2.909 1.00 0.00 C ATOM 302 O GLU A 21 9.468 -2.091 3.519 1.00 0.00 O ATOM 303 CB GLU A 21 12.190 -0.285 3.841 1.00 0.00 C ATOM 304 CG GLU A 21 13.604 -0.690 4.262 1.00 0.00 C ATOM 305 CD GLU A 21 14.286 0.485 4.964 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.616 1.162 5.727 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.465 0.689 4.726 1.00 0.00 O ATOM 0 H GLU A 21 12.955 -0.411 1.464 1.00 0.00 H new ATOM 0 HA GLU A 21 11.894 -2.335 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.208 0.695 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.548 -0.200 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.563 -1.551 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.183 -0.990 3.388 1.00 0.00 H new ATOM 314 N PRO A 22 9.537 -0.273 2.278 1.00 0.00 N ATOM 315 CA PRO A 22 8.078 -0.104 2.251 1.00 0.00 C ATOM 316 C PRO A 22 7.489 -1.217 1.413 1.00 0.00 C ATOM 317 O PRO A 22 6.773 -2.070 1.897 1.00 0.00 O ATOM 318 CB PRO A 22 7.888 1.269 1.618 1.00 0.00 C ATOM 319 CG PRO A 22 9.191 1.584 0.856 1.00 0.00 C ATOM 320 CD PRO A 22 10.284 0.726 1.513 1.00 0.00 C ATOM 0 HA PRO A 22 7.588 -0.155 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.033 1.269 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.692 2.024 2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.091 1.345 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.435 2.644 0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.927 0.259 0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.927 1.324 2.158 1.00 0.00 H new ATOM 328 N VAL A 23 7.830 -1.244 0.169 1.00 0.00 N ATOM 329 CA VAL A 23 7.349 -2.346 -0.696 1.00 0.00 C ATOM 330 C VAL A 23 7.570 -3.660 0.054 1.00 0.00 C ATOM 331 O VAL A 23 6.887 -4.641 -0.168 1.00 0.00 O ATOM 332 CB VAL A 23 8.184 -2.376 -1.970 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.922 -3.683 -2.725 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.814 -1.188 -2.858 1.00 0.00 C ATOM 0 H VAL A 23 8.421 -0.552 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 23 6.296 -2.206 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 23 9.240 -2.314 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.520 -3.703 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.194 -4.529 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.865 -3.748 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.414 -1.213 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.757 -1.244 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.007 -0.259 -2.322 1.00 0.00 H new ATOM 344 N MET A 24 8.538 -3.684 0.940 1.00 0.00 N ATOM 345 CA MET A 24 8.819 -4.936 1.699 1.00 0.00 C ATOM 346 C MET A 24 7.740 -5.148 2.760 1.00 0.00 C ATOM 347 O MET A 24 7.261 -6.246 2.960 1.00 0.00 O ATOM 348 CB MET A 24 10.185 -4.825 2.378 1.00 0.00 C ATOM 349 CG MET A 24 11.281 -5.213 1.384 1.00 0.00 C ATOM 350 SD MET A 24 11.756 -6.939 1.652 1.00 0.00 S ATOM 351 CE MET A 24 13.028 -7.026 0.368 1.00 0.00 C ATOM 0 H MET A 24 9.141 -2.893 1.167 1.00 0.00 H new ATOM 0 HA MET A 24 8.821 -5.782 1.011 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.345 -3.807 2.733 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.223 -5.477 3.251 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.925 -5.077 0.363 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.147 -4.563 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.464 -8.025 0.355 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.580 -6.813 -0.603 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.807 -6.293 0.577 1.00 0.00 H new ATOM 361 N MET A 25 7.352 -4.108 3.443 1.00 0.00 N ATOM 362 CA MET A 25 6.305 -4.254 4.488 1.00 0.00 C ATOM 363 C MET A 25 5.022 -4.757 3.838 1.00 0.00 C ATOM 364 O MET A 25 4.361 -5.629 4.354 1.00 0.00 O ATOM 365 CB MET A 25 6.054 -2.901 5.151 1.00 0.00 C ATOM 366 CG MET A 25 7.007 -2.729 6.336 1.00 0.00 C ATOM 367 SD MET A 25 6.657 -3.994 7.581 1.00 0.00 S ATOM 368 CE MET A 25 8.174 -3.793 8.546 1.00 0.00 C ATOM 0 H MET A 25 7.716 -3.163 3.322 1.00 0.00 H new ATOM 0 HA MET A 25 6.634 -4.966 5.245 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.204 -2.097 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.020 -2.836 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.041 -2.811 6.000 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.890 -1.735 6.769 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.168 -4.492 9.383 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.038 -3.993 7.912 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.231 -2.773 8.926 1.00 0.00 H new ATOM 378 N VAL A 26 4.663 -4.224 2.703 1.00 0.00 N ATOM 379 CA VAL A 26 3.423 -4.706 2.030 1.00 0.00 C ATOM 380 C VAL A 26 3.605 -6.172 1.659 1.00 0.00 C ATOM 381 O VAL A 26 2.658 -6.916 1.580 1.00 0.00 O ATOM 382 CB VAL A 26 3.169 -3.916 0.750 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.003 -4.546 -0.017 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.802 -2.481 1.093 1.00 0.00 C ATOM 0 H VAL A 26 5.168 -3.483 2.216 1.00 0.00 H new ATOM 0 HA VAL A 26 2.580 -4.576 2.708 1.00 0.00 H new ATOM 0 HB VAL A 26 4.073 -3.932 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.822 -3.981 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.249 -5.577 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.107 -4.528 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.622 -1.922 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.901 -2.473 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.620 -2.018 1.645 1.00 0.00 H new ATOM 394 N ARG A 27 4.817 -6.587 1.418 1.00 0.00 N ATOM 395 CA ARG A 27 5.058 -8.012 1.047 1.00 0.00 C ATOM 396 C ARG A 27 4.777 -8.903 2.248 1.00 0.00 C ATOM 397 O ARG A 27 3.964 -9.785 2.192 1.00 0.00 O ATOM 398 CB ARG A 27 6.514 -8.213 0.634 1.00 0.00 C ATOM 399 CG ARG A 27 6.575 -8.706 -0.810 1.00 0.00 C ATOM 400 CD ARG A 27 7.251 -10.073 -0.846 1.00 0.00 C ATOM 401 NE ARG A 27 8.627 -9.935 -1.403 1.00 0.00 N ATOM 402 CZ ARG A 27 8.825 -9.240 -2.490 1.00 0.00 C ATOM 403 NH1 ARG A 27 7.986 -9.331 -3.485 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.862 -8.452 -2.582 1.00 0.00 N ATOM 0 H ARG A 27 5.652 -6.003 1.461 1.00 0.00 H new ATOM 0 HA ARG A 27 4.401 -8.269 0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.063 -7.276 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.994 -8.934 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.570 -8.773 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.129 -7.997 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.295 -10.495 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.668 -10.762 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 27 9.414 -10.384 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.175 -9.945 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.141 -8.788 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.518 -8.379 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.016 -7.909 -3.432 1.00 0.00 H new ATOM 418 N LYS A 28 5.455 -8.669 3.329 1.00 0.00 N ATOM 419 CA LYS A 28 5.242 -9.498 4.556 1.00 0.00 C ATOM 420 C LYS A 28 3.772 -9.407 4.947 1.00 0.00 C ATOM 421 O LYS A 28 3.168 -10.357 5.397 1.00 0.00 O ATOM 422 CB LYS A 28 6.113 -8.966 5.698 1.00 0.00 C ATOM 423 CG LYS A 28 7.584 -9.011 5.282 1.00 0.00 C ATOM 424 CD LYS A 28 8.465 -9.110 6.530 1.00 0.00 C ATOM 425 CE LYS A 28 9.689 -8.207 6.364 1.00 0.00 C ATOM 426 NZ LYS A 28 9.256 -6.781 6.353 1.00 0.00 N ATOM 0 H LYS A 28 6.156 -7.934 3.424 1.00 0.00 H new ATOM 0 HA LYS A 28 5.516 -10.535 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.825 -7.944 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.960 -9.565 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.762 -9.866 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.840 -8.117 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.898 -8.814 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.780 -10.142 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.394 -8.378 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.209 -8.448 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.501 -6.351 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.227 -6.730 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.737 -6.266 7.118 1.00 0.00 H new ATOM 440 N THR A 29 3.198 -8.262 4.735 1.00 0.00 N ATOM 441 CA THR A 29 1.760 -8.051 5.032 1.00 0.00 C ATOM 442 C THR A 29 0.979 -8.839 3.994 1.00 0.00 C ATOM 443 O THR A 29 -0.066 -9.397 4.250 1.00 0.00 O ATOM 444 CB THR A 29 1.493 -6.550 4.883 1.00 0.00 C ATOM 445 OG1 THR A 29 1.679 -5.908 6.135 1.00 0.00 O ATOM 446 CG2 THR A 29 0.080 -6.267 4.361 1.00 0.00 C ATOM 0 H THR A 29 3.677 -7.444 4.359 1.00 0.00 H new ATOM 0 HA THR A 29 1.473 -8.376 6.032 1.00 0.00 H new ATOM 0 HB THR A 29 2.199 -6.157 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.510 -4.948 6.038 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.066 -5.191 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.047 -6.734 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.653 -6.675 5.056 1.00 0.00 H new ATOM 454 N VAL A 30 1.528 -8.905 2.826 1.00 0.00 N ATOM 455 CA VAL A 30 0.895 -9.663 1.729 1.00 0.00 C ATOM 456 C VAL A 30 1.019 -11.142 2.084 1.00 0.00 C ATOM 457 O VAL A 30 0.217 -11.968 1.697 1.00 0.00 O ATOM 458 CB VAL A 30 1.670 -9.361 0.442 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.475 -10.480 -0.564 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.192 -8.045 -0.178 1.00 0.00 C ATOM 0 H VAL A 30 2.410 -8.455 2.580 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.153 -9.396 1.589 1.00 0.00 H new ATOM 0 HB VAL A 30 2.727 -9.277 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.031 -10.253 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.838 -11.417 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.415 -10.576 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.754 -7.848 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.130 -8.118 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.351 -7.231 0.529 1.00 0.00 H new ATOM 470 N ARG A 31 2.025 -11.458 2.846 1.00 0.00 N ATOM 471 CA ARG A 31 2.243 -12.857 3.283 1.00 0.00 C ATOM 472 C ARG A 31 1.270 -13.147 4.419 1.00 0.00 C ATOM 473 O ARG A 31 0.808 -14.257 4.592 1.00 0.00 O ATOM 474 CB ARG A 31 3.677 -13.023 3.795 1.00 0.00 C ATOM 475 CG ARG A 31 4.678 -12.689 2.682 1.00 0.00 C ATOM 476 CD ARG A 31 6.084 -13.130 3.100 1.00 0.00 C ATOM 477 NE ARG A 31 5.996 -14.354 3.947 1.00 0.00 N ATOM 478 CZ ARG A 31 6.536 -15.471 3.541 1.00 0.00 C ATOM 479 NH1 ARG A 31 5.848 -16.299 2.802 1.00 0.00 N ATOM 480 NH2 ARG A 31 7.763 -15.762 3.876 1.00 0.00 N ATOM 0 H ARG A 31 2.717 -10.792 3.189 1.00 0.00 H new ATOM 0 HA ARG A 31 2.083 -13.542 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.843 -12.370 4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.832 -14.046 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.389 -13.190 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.668 -11.618 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.690 -13.330 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.578 -12.330 3.651 1.00 0.00 H new ATOM 0 HE ARG A 31 5.513 -14.318 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.888 -16.073 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.271 -17.172 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.300 -15.117 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.185 -16.635 3.559 1.00 0.00 H new ATOM 494 N ASN A 32 0.948 -12.144 5.197 1.00 0.00 N ATOM 495 CA ASN A 32 -0.005 -12.361 6.320 1.00 0.00 C ATOM 496 C ASN A 32 -1.391 -11.859 5.912 1.00 0.00 C ATOM 497 O ASN A 32 -2.318 -11.860 6.697 1.00 0.00 O ATOM 498 CB ASN A 32 0.476 -11.615 7.570 1.00 0.00 C ATOM 499 CG ASN A 32 0.435 -10.103 7.335 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.347 -9.616 6.543 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.249 -9.331 8.002 1.00 0.00 N ATOM 0 H ASN A 32 1.302 -11.192 5.102 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.058 -13.426 6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.153 -11.875 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.491 -11.924 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.228 -8.321 7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.907 -9.737 8.668 1.00 0.00 H new ATOM 508 N MET A 33 -1.541 -11.436 4.684 1.00 0.00 N ATOM 509 CA MET A 33 -2.868 -10.941 4.227 1.00 0.00 C ATOM 510 C MET A 33 -3.632 -12.062 3.525 1.00 0.00 C ATOM 511 O MET A 33 -3.114 -13.134 3.284 1.00 0.00 O ATOM 512 CB MET A 33 -2.688 -9.774 3.253 1.00 0.00 C ATOM 513 CG MET A 33 -2.709 -8.454 4.024 1.00 0.00 C ATOM 514 SD MET A 33 -3.410 -7.151 2.981 1.00 0.00 S ATOM 515 CE MET A 33 -5.085 -7.829 2.836 1.00 0.00 C ATOM 0 H MET A 33 -0.802 -11.413 3.981 1.00 0.00 H new ATOM 0 HA MET A 33 -3.430 -10.605 5.098 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.745 -9.878 2.716 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.483 -9.784 2.507 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.299 -8.562 4.934 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.698 -8.184 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.599 -7.353 2.001 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.029 -8.904 2.663 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.636 -7.638 3.757 1.00 0.00 H new ATOM 525 N GLN A 34 -4.866 -11.809 3.194 1.00 0.00 N ATOM 526 CA GLN A 34 -5.696 -12.831 2.503 1.00 0.00 C ATOM 527 C GLN A 34 -6.377 -12.171 1.305 1.00 0.00 C ATOM 528 O GLN A 34 -6.601 -10.976 1.310 1.00 0.00 O ATOM 529 CB GLN A 34 -6.756 -13.369 3.467 1.00 0.00 C ATOM 530 CG GLN A 34 -6.070 -14.016 4.671 1.00 0.00 C ATOM 531 CD GLN A 34 -5.860 -15.507 4.399 1.00 0.00 C ATOM 532 OE1 GLN A 34 -5.599 -15.902 3.281 1.00 0.00 O ATOM 533 NE2 GLN A 34 -5.965 -16.357 5.383 1.00 0.00 N ATOM 0 H GLN A 34 -5.341 -10.925 3.376 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.071 -13.659 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.407 -12.559 3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.387 -14.098 2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.112 -13.532 4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.678 -13.881 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.184 -16.025 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.828 -17.353 5.213 1.00 0.00 H new ATOM 542 N PRO A 35 -6.685 -12.958 0.311 1.00 0.00 N ATOM 543 CA PRO A 35 -7.338 -12.455 -0.906 1.00 0.00 C ATOM 544 C PRO A 35 -8.782 -12.075 -0.596 1.00 0.00 C ATOM 545 O PRO A 35 -9.555 -12.860 -0.084 1.00 0.00 O ATOM 546 CB PRO A 35 -7.244 -13.626 -1.884 1.00 0.00 C ATOM 547 CG PRO A 35 -7.037 -14.894 -1.022 1.00 0.00 C ATOM 548 CD PRO A 35 -6.437 -14.414 0.315 1.00 0.00 C ATOM 0 HA PRO A 35 -6.877 -11.556 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.151 -13.707 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.415 -13.488 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.982 -15.413 -0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.368 -15.597 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.916 -14.899 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.372 -14.638 0.379 1.00 0.00 H new ATOM 556 N GLY A 36 -9.128 -10.855 -0.870 1.00 0.00 N ATOM 557 CA GLY A 36 -10.493 -10.369 -0.565 1.00 0.00 C ATOM 558 C GLY A 36 -10.389 -9.470 0.663 1.00 0.00 C ATOM 559 O GLY A 36 -11.356 -9.222 1.354 1.00 0.00 O ATOM 0 H GLY A 36 -8.513 -10.164 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.903 -9.818 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.165 -11.205 -0.373 1.00 0.00 H new ATOM 563 N GLU A 37 -9.202 -8.989 0.944 1.00 0.00 N ATOM 564 CA GLU A 37 -9.014 -8.116 2.135 1.00 0.00 C ATOM 565 C GLU A 37 -8.479 -6.757 1.688 1.00 0.00 C ATOM 566 O GLU A 37 -8.351 -6.492 0.512 1.00 0.00 O ATOM 567 CB GLU A 37 -8.016 -8.778 3.083 1.00 0.00 C ATOM 568 CG GLU A 37 -8.768 -9.670 4.071 1.00 0.00 C ATOM 569 CD GLU A 37 -7.915 -9.885 5.323 1.00 0.00 C ATOM 570 OE1 GLU A 37 -7.680 -8.918 6.029 1.00 0.00 O ATOM 571 OE2 GLU A 37 -7.511 -11.013 5.553 1.00 0.00 O ATOM 0 H GLU A 37 -8.359 -9.165 0.398 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.966 -7.975 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.297 -9.370 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.450 -8.018 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.718 -9.210 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.999 -10.629 3.607 1.00 0.00 H new ATOM 578 N THR A 38 -8.166 -5.887 2.613 1.00 0.00 N ATOM 579 CA THR A 38 -7.646 -4.549 2.216 1.00 0.00 C ATOM 580 C THR A 38 -6.475 -4.146 3.115 1.00 0.00 C ATOM 581 O THR A 38 -6.329 -4.625 4.223 1.00 0.00 O ATOM 582 CB THR A 38 -8.764 -3.514 2.325 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.655 -3.888 3.367 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.519 -3.455 0.998 1.00 0.00 C ATOM 0 H THR A 38 -8.248 -6.045 3.617 1.00 0.00 H new ATOM 0 HA THR A 38 -7.294 -4.596 1.185 1.00 0.00 H new ATOM 0 HB THR A 38 -8.342 -2.535 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.372 -3.224 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.319 -2.718 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.832 -3.171 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.945 -4.434 0.778 1.00 0.00 H new ATOM 592 N LEU A 39 -5.633 -3.276 2.631 1.00 0.00 N ATOM 593 CA LEU A 39 -4.455 -2.835 3.427 1.00 0.00 C ATOM 594 C LEU A 39 -4.161 -1.363 3.117 1.00 0.00 C ATOM 595 O LEU A 39 -3.829 -1.013 2.004 1.00 0.00 O ATOM 596 CB LEU A 39 -3.249 -3.689 3.019 1.00 0.00 C ATOM 597 CG LEU A 39 -1.956 -3.092 3.586 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.677 -3.692 4.961 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.794 -3.419 2.647 1.00 0.00 C ATOM 0 H LEU A 39 -5.712 -2.848 1.709 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.654 -2.949 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.377 -4.708 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.186 -3.745 1.932 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.064 -2.011 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.757 -3.267 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.506 -3.465 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.568 -4.773 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.127 -2.996 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.689 -4.501 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.991 -2.994 1.663 1.00 0.00 H new ATOM 611 N LEU A 40 -4.254 -0.500 4.091 1.00 0.00 N ATOM 612 CA LEU A 40 -3.951 0.933 3.832 1.00 0.00 C ATOM 613 C LEU A 40 -2.447 1.124 3.996 1.00 0.00 C ATOM 614 O LEU A 40 -1.807 0.432 4.762 1.00 0.00 O ATOM 615 CB LEU A 40 -4.695 1.822 4.830 1.00 0.00 C ATOM 616 CG LEU A 40 -4.197 3.261 4.689 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.550 3.789 3.296 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.861 4.139 5.752 1.00 0.00 C ATOM 0 H LEU A 40 -4.525 -0.724 5.048 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.270 1.210 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.768 1.776 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.530 1.465 5.847 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.116 3.285 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.195 4.815 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.075 3.165 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.631 3.764 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.506 5.164 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.943 4.115 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.608 3.764 6.744 1.00 0.00 H new ATOM 630 N ILE A 41 -1.866 2.020 3.256 1.00 0.00 N ATOM 631 CA ILE A 41 -0.394 2.198 3.351 1.00 0.00 C ATOM 632 C ILE A 41 -0.018 3.667 3.190 1.00 0.00 C ATOM 633 O ILE A 41 -0.276 4.265 2.169 1.00 0.00 O ATOM 634 CB ILE A 41 0.243 1.401 2.214 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.517 0.075 2.054 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.720 1.146 2.525 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.342 -0.943 1.305 1.00 0.00 C ATOM 0 H ILE A 41 -2.341 2.633 2.594 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.045 1.855 4.325 1.00 0.00 H new ATOM 0 HB ILE A 41 0.184 1.962 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.786 -0.318 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.447 0.245 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.170 0.577 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.239 2.099 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.804 0.580 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.210 -1.877 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.589 -0.554 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.260 -1.125 1.863 1.00 0.00 H new ATOM 649 N ILE A 42 0.633 4.252 4.158 1.00 0.00 N ATOM 650 CA ILE A 42 1.043 5.653 3.983 1.00 0.00 C ATOM 651 C ILE A 42 2.481 5.633 3.529 1.00 0.00 C ATOM 652 O ILE A 42 3.163 4.637 3.644 1.00 0.00 O ATOM 653 CB ILE A 42 0.930 6.427 5.284 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.311 5.971 6.041 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.818 7.924 4.966 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.598 6.984 7.136 1.00 0.00 C ATOM 0 H ILE A 42 0.891 3.820 5.045 1.00 0.00 H new ATOM 0 HA ILE A 42 0.397 6.144 3.256 1.00 0.00 H new ATOM 0 HB ILE A 42 1.812 6.247 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.162 5.892 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.152 4.982 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.736 8.488 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.705 8.248 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.067 8.101 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.484 6.678 7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.254 7.039 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.771 7.963 6.690 1.00 0.00 H new ATOM 668 N ALA A 43 2.948 6.708 3.013 1.00 0.00 N ATOM 669 CA ALA A 43 4.346 6.735 2.548 1.00 0.00 C ATOM 670 C ALA A 43 4.774 8.176 2.376 1.00 0.00 C ATOM 671 O ALA A 43 4.161 8.928 1.659 1.00 0.00 O ATOM 672 CB ALA A 43 4.450 6.003 1.208 1.00 0.00 C ATOM 0 H ALA A 43 2.426 7.576 2.890 1.00 0.00 H new ATOM 0 HA ALA A 43 4.992 6.243 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.484 6.022 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.128 4.969 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.813 6.496 0.474 1.00 0.00 H new ATOM 678 N ASP A 44 5.847 8.556 2.974 1.00 0.00 N ATOM 679 CA ASP A 44 6.321 9.937 2.772 1.00 0.00 C ATOM 680 C ASP A 44 7.482 9.825 1.819 1.00 0.00 C ATOM 681 O ASP A 44 7.792 10.733 1.075 1.00 0.00 O ATOM 682 CB ASP A 44 6.735 10.601 4.092 1.00 0.00 C ATOM 683 CG ASP A 44 7.996 9.963 4.671 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.875 9.606 3.904 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.068 9.853 5.883 1.00 0.00 O ATOM 0 H ASP A 44 6.417 7.977 3.591 1.00 0.00 H new ATOM 0 HA ASP A 44 5.531 10.573 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.908 11.664 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.921 10.519 4.812 1.00 0.00 H new ATOM 690 N ASP A 45 8.100 8.674 1.799 1.00 0.00 N ATOM 691 CA ASP A 45 9.207 8.472 0.848 1.00 0.00 C ATOM 692 C ASP A 45 8.641 8.652 -0.569 1.00 0.00 C ATOM 693 O ASP A 45 7.517 8.274 -0.831 1.00 0.00 O ATOM 694 CB ASP A 45 9.735 7.070 1.061 1.00 0.00 C ATOM 695 CG ASP A 45 10.438 6.551 -0.194 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.611 6.846 -0.358 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.797 5.859 -0.965 1.00 0.00 O ATOM 0 H ASP A 45 7.882 7.878 2.398 1.00 0.00 H new ATOM 0 HA ASP A 45 10.021 9.182 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.430 7.063 1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.913 6.404 1.323 1.00 0.00 H new ATOM 702 N PRO A 46 9.418 9.247 -1.433 1.00 0.00 N ATOM 703 CA PRO A 46 9.001 9.518 -2.821 1.00 0.00 C ATOM 704 C PRO A 46 9.089 8.247 -3.659 1.00 0.00 C ATOM 705 O PRO A 46 8.495 8.135 -4.713 1.00 0.00 O ATOM 706 CB PRO A 46 10.011 10.560 -3.302 1.00 0.00 C ATOM 707 CG PRO A 46 11.256 10.416 -2.392 1.00 0.00 C ATOM 708 CD PRO A 46 10.787 9.695 -1.114 1.00 0.00 C ATOM 0 HA PRO A 46 7.970 9.864 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.273 10.394 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.594 11.565 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.038 9.846 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.676 11.393 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.435 8.853 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.797 10.364 -0.253 1.00 0.00 H new ATOM 716 N ALA A 47 9.835 7.295 -3.193 1.00 0.00 N ATOM 717 CA ALA A 47 9.988 6.019 -3.951 1.00 0.00 C ATOM 718 C ALA A 47 8.901 5.025 -3.537 1.00 0.00 C ATOM 719 O ALA A 47 8.818 3.934 -4.065 1.00 0.00 O ATOM 720 CB ALA A 47 11.366 5.417 -3.665 1.00 0.00 C ATOM 0 H ALA A 47 10.351 7.340 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 47 9.892 6.226 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.478 4.485 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.141 6.118 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.462 5.219 -2.598 1.00 0.00 H new ATOM 726 N THR A 48 8.068 5.381 -2.599 1.00 0.00 N ATOM 727 CA THR A 48 6.998 4.439 -2.169 1.00 0.00 C ATOM 728 C THR A 48 5.774 4.611 -3.067 1.00 0.00 C ATOM 729 O THR A 48 5.153 3.652 -3.478 1.00 0.00 O ATOM 730 CB THR A 48 6.605 4.736 -0.720 1.00 0.00 C ATOM 731 OG1 THR A 48 6.660 6.136 -0.492 1.00 0.00 O ATOM 732 CG2 THR A 48 7.566 4.024 0.228 1.00 0.00 C ATOM 0 H THR A 48 8.081 6.278 -2.114 1.00 0.00 H new ATOM 0 HA THR A 48 7.367 3.416 -2.245 1.00 0.00 H new ATOM 0 HB THR A 48 5.591 4.379 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.595 6.429 -0.478 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.284 4.237 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.519 2.949 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.582 4.377 0.049 1.00 0.00 H new ATOM 740 N THR A 49 5.419 5.825 -3.377 1.00 0.00 N ATOM 741 CA THR A 49 4.230 6.038 -4.252 1.00 0.00 C ATOM 742 C THR A 49 4.427 5.253 -5.540 1.00 0.00 C ATOM 743 O THR A 49 3.485 4.808 -6.161 1.00 0.00 O ATOM 744 CB THR A 49 4.078 7.521 -4.616 1.00 0.00 C ATOM 745 OG1 THR A 49 4.785 7.782 -5.821 1.00 0.00 O ATOM 746 CG2 THR A 49 4.640 8.400 -3.506 1.00 0.00 C ATOM 0 H THR A 49 5.894 6.673 -3.067 1.00 0.00 H new ATOM 0 HA THR A 49 3.340 5.707 -3.717 1.00 0.00 H new ATOM 0 HB THR A 49 3.019 7.747 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.689 8.728 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.525 9.449 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.101 8.205 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.697 8.176 -3.365 1.00 0.00 H new ATOM 754 N ARG A 50 5.647 5.117 -5.965 1.00 0.00 N ATOM 755 CA ARG A 50 5.901 4.392 -7.243 1.00 0.00 C ATOM 756 C ARG A 50 6.269 2.925 -7.008 1.00 0.00 C ATOM 757 O ARG A 50 5.927 2.060 -7.790 1.00 0.00 O ATOM 758 CB ARG A 50 7.051 5.075 -7.977 1.00 0.00 C ATOM 759 CG ARG A 50 6.563 6.389 -8.591 1.00 0.00 C ATOM 760 CD ARG A 50 6.730 6.333 -10.110 1.00 0.00 C ATOM 761 NE ARG A 50 7.142 7.673 -10.616 1.00 0.00 N ATOM 762 CZ ARG A 50 7.878 7.772 -11.691 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.093 6.722 -12.437 1.00 0.00 N ATOM 764 NH2 ARG A 50 8.396 8.922 -12.022 1.00 0.00 N ATOM 0 H ARG A 50 6.477 5.472 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 50 4.984 4.419 -7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.872 5.268 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.438 4.419 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.517 6.556 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.129 7.226 -8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.478 5.586 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.794 6.028 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 50 6.848 8.515 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.686 5.822 -12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.668 6.801 -13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.227 9.744 -11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.971 9.000 -12.861 1.00 0.00 H new ATOM 778 N ASP A 51 7.009 2.643 -5.979 1.00 0.00 N ATOM 779 CA ASP A 51 7.450 1.234 -5.746 1.00 0.00 C ATOM 780 C ASP A 51 6.447 0.436 -4.909 1.00 0.00 C ATOM 781 O ASP A 51 6.132 -0.691 -5.227 1.00 0.00 O ATOM 782 CB ASP A 51 8.793 1.259 -5.016 1.00 0.00 C ATOM 783 CG ASP A 51 9.822 2.010 -5.862 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.569 2.193 -7.042 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.845 2.389 -5.317 1.00 0.00 O ATOM 0 H ASP A 51 7.330 3.320 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 51 7.530 0.745 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.682 1.743 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.135 0.241 -4.828 1.00 0.00 H new ATOM 790 N ILE A 52 5.969 0.983 -3.834 1.00 0.00 N ATOM 791 CA ILE A 52 5.017 0.214 -2.976 1.00 0.00 C ATOM 792 C ILE A 52 3.859 -0.337 -3.801 1.00 0.00 C ATOM 793 O ILE A 52 3.568 -1.515 -3.731 1.00 0.00 O ATOM 794 CB ILE A 52 4.508 1.111 -1.839 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.423 0.938 -0.630 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.071 0.739 -1.445 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.779 1.590 0.593 1.00 0.00 C ATOM 0 H ILE A 52 6.190 1.924 -3.508 1.00 0.00 H new ATOM 0 HA ILE A 52 5.542 -0.638 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 52 4.513 2.147 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.598 -0.121 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.394 1.391 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.735 1.390 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.414 0.861 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.042 -0.298 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.432 1.467 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.627 2.652 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.818 1.117 0.794 1.00 0.00 H new ATOM 809 N PRO A 53 3.227 0.508 -4.554 1.00 0.00 N ATOM 810 CA PRO A 53 2.101 0.085 -5.384 1.00 0.00 C ATOM 811 C PRO A 53 2.599 -0.747 -6.543 1.00 0.00 C ATOM 812 O PRO A 53 2.122 -1.829 -6.780 1.00 0.00 O ATOM 813 CB PRO A 53 1.474 1.385 -5.846 1.00 0.00 C ATOM 814 CG PRO A 53 2.554 2.477 -5.693 1.00 0.00 C ATOM 815 CD PRO A 53 3.573 1.938 -4.671 1.00 0.00 C ATOM 0 HA PRO A 53 1.381 -0.541 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.145 1.309 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.594 1.624 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.035 2.685 -6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.115 3.413 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.598 2.075 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.488 2.450 -3.713 1.00 0.00 H new ATOM 823 N GLY A 54 3.571 -0.274 -7.257 1.00 0.00 N ATOM 824 CA GLY A 54 4.089 -1.093 -8.377 1.00 0.00 C ATOM 825 C GLY A 54 4.360 -2.495 -7.847 1.00 0.00 C ATOM 826 O GLY A 54 4.343 -3.462 -8.583 1.00 0.00 O ATOM 0 H GLY A 54 4.024 0.629 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.365 -1.126 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.002 -0.654 -8.780 1.00 0.00 H new ATOM 830 N PHE A 55 4.586 -2.620 -6.565 1.00 0.00 N ATOM 831 CA PHE A 55 4.830 -3.967 -5.996 1.00 0.00 C ATOM 832 C PHE A 55 3.492 -4.709 -5.883 1.00 0.00 C ATOM 833 O PHE A 55 3.352 -5.820 -6.354 1.00 0.00 O ATOM 834 CB PHE A 55 5.485 -3.830 -4.609 1.00 0.00 C ATOM 835 CG PHE A 55 5.073 -4.988 -3.722 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.057 -6.293 -4.230 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.685 -4.751 -2.403 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.652 -7.354 -3.422 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.284 -5.817 -1.595 1.00 0.00 C ATOM 840 CZ PHE A 55 4.265 -7.117 -2.105 1.00 0.00 C ATOM 0 H PHE A 55 4.611 -1.850 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 55 5.501 -4.531 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.570 -3.808 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.189 -2.887 -4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.359 -6.478 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.695 -3.746 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.638 -8.359 -3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.988 -5.636 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.950 -7.938 -1.478 1.00 0.00 H new ATOM 850 N CYS A 56 2.515 -4.120 -5.246 1.00 0.00 N ATOM 851 CA CYS A 56 1.214 -4.826 -5.097 1.00 0.00 C ATOM 852 C CYS A 56 0.663 -5.217 -6.461 1.00 0.00 C ATOM 853 O CYS A 56 0.073 -6.259 -6.619 1.00 0.00 O ATOM 854 CB CYS A 56 0.228 -3.904 -4.394 1.00 0.00 C ATOM 855 SG CYS A 56 0.587 -3.907 -2.622 1.00 0.00 S ATOM 0 H CYS A 56 2.562 -3.191 -4.827 1.00 0.00 H new ATOM 0 HA CYS A 56 1.363 -5.732 -4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.307 -2.893 -4.793 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.794 -4.238 -4.572 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.246 -4.696 -2.012 1.00 0.00 H new ATOM 861 N THR A 57 0.841 -4.395 -7.447 1.00 0.00 N ATOM 862 CA THR A 57 0.308 -4.735 -8.795 1.00 0.00 C ATOM 863 C THR A 57 1.045 -5.949 -9.367 1.00 0.00 C ATOM 864 O THR A 57 0.487 -6.732 -10.109 1.00 0.00 O ATOM 865 CB THR A 57 0.510 -3.548 -9.731 1.00 0.00 C ATOM 866 OG1 THR A 57 -0.026 -2.375 -9.132 1.00 0.00 O ATOM 867 CG2 THR A 57 -0.203 -3.824 -11.052 1.00 0.00 C ATOM 0 H THR A 57 1.331 -3.503 -7.383 1.00 0.00 H new ATOM 0 HA THR A 57 -0.753 -4.968 -8.706 1.00 0.00 H new ATOM 0 HB THR A 57 1.574 -3.402 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.105 -1.612 -9.733 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.062 -2.978 -11.725 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.211 -4.724 -11.508 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.268 -3.967 -10.868 1.00 0.00 H new ATOM 875 N PHE A 58 2.299 -6.095 -9.051 1.00 0.00 N ATOM 876 CA PHE A 58 3.082 -7.240 -9.601 1.00 0.00 C ATOM 877 C PHE A 58 2.712 -8.553 -8.896 1.00 0.00 C ATOM 878 O PHE A 58 2.792 -9.615 -9.482 1.00 0.00 O ATOM 879 CB PHE A 58 4.576 -6.966 -9.408 1.00 0.00 C ATOM 880 CG PHE A 58 5.356 -7.621 -10.522 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.429 -9.017 -10.603 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.009 -6.830 -11.475 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.154 -9.621 -11.638 1.00 0.00 C ATOM 884 CE2 PHE A 58 6.734 -7.434 -12.510 1.00 0.00 C ATOM 885 CZ PHE A 58 6.806 -8.829 -12.591 1.00 0.00 C ATOM 0 H PHE A 58 2.819 -5.471 -8.434 1.00 0.00 H new ATOM 0 HA PHE A 58 2.849 -7.341 -10.661 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.762 -5.892 -9.402 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.906 -7.352 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.926 -9.628 -9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.954 -5.753 -11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.210 -10.698 -11.701 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.237 -6.823 -13.245 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.365 -9.295 -13.389 1.00 0.00 H new ATOM 895 N MET A 59 2.326 -8.508 -7.648 1.00 0.00 N ATOM 896 CA MET A 59 1.981 -9.780 -6.940 1.00 0.00 C ATOM 897 C MET A 59 0.521 -10.174 -7.189 1.00 0.00 C ATOM 898 O MET A 59 0.035 -11.139 -6.633 1.00 0.00 O ATOM 899 CB MET A 59 2.220 -9.626 -5.446 1.00 0.00 C ATOM 900 CG MET A 59 3.643 -10.072 -5.097 1.00 0.00 C ATOM 901 SD MET A 59 3.865 -11.809 -5.559 1.00 0.00 S ATOM 902 CE MET A 59 5.576 -11.976 -4.997 1.00 0.00 C ATOM 0 H MET A 59 2.235 -7.658 -7.092 1.00 0.00 H new ATOM 0 HA MET A 59 2.622 -10.568 -7.334 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.072 -8.587 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.496 -10.222 -4.890 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.369 -9.450 -5.621 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.824 -9.943 -4.030 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.924 -12.991 -5.188 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.206 -11.268 -5.535 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.630 -11.770 -3.928 1.00 0.00 H new ATOM 912 N GLU A 60 -0.174 -9.446 -8.024 1.00 0.00 N ATOM 913 CA GLU A 60 -1.603 -9.784 -8.325 1.00 0.00 C ATOM 914 C GLU A 60 -2.531 -9.172 -7.272 1.00 0.00 C ATOM 915 O GLU A 60 -3.641 -9.622 -7.070 1.00 0.00 O ATOM 916 CB GLU A 60 -1.791 -11.304 -8.356 1.00 0.00 C ATOM 917 CG GLU A 60 -2.774 -11.675 -9.468 1.00 0.00 C ATOM 918 CD GLU A 60 -2.800 -13.194 -9.642 1.00 0.00 C ATOM 919 OE1 GLU A 60 -3.439 -13.852 -8.838 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.179 -13.674 -10.576 1.00 0.00 O ATOM 0 H GLU A 60 0.186 -8.627 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.856 -9.371 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.833 -11.796 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.165 -11.654 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.771 -11.310 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.480 -11.197 -10.402 1.00 0.00 H new ATOM 927 N HIS A 61 -2.093 -8.137 -6.616 1.00 0.00 N ATOM 928 CA HIS A 61 -2.938 -7.473 -5.597 1.00 0.00 C ATOM 929 C HIS A 61 -3.627 -6.283 -6.258 1.00 0.00 C ATOM 930 O HIS A 61 -3.369 -5.978 -7.405 1.00 0.00 O ATOM 931 CB HIS A 61 -2.050 -6.993 -4.456 1.00 0.00 C ATOM 932 CG HIS A 61 -1.213 -8.141 -3.977 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.439 -9.438 -4.407 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.148 -8.209 -3.117 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.529 -10.225 -3.811 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.283 -9.528 -3.013 1.00 0.00 N ATOM 0 H HIS A 61 -1.172 -7.719 -6.747 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.685 -8.161 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.412 -6.176 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.661 -6.605 -3.640 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.164 -9.740 -5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.290 -7.368 -2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.462 -11.293 -3.959 1.00 0.00 H new ATOM 944 N GLU A 62 -4.514 -5.615 -5.577 1.00 0.00 N ATOM 945 CA GLU A 62 -5.204 -4.475 -6.231 1.00 0.00 C ATOM 946 C GLU A 62 -5.014 -3.190 -5.446 1.00 0.00 C ATOM 947 O GLU A 62 -5.110 -3.160 -4.240 1.00 0.00 O ATOM 948 CB GLU A 62 -6.697 -4.764 -6.307 1.00 0.00 C ATOM 949 CG GLU A 62 -7.020 -5.479 -7.619 1.00 0.00 C ATOM 950 CD GLU A 62 -7.483 -4.454 -8.657 1.00 0.00 C ATOM 951 OE1 GLU A 62 -7.792 -3.341 -8.264 1.00 0.00 O ATOM 952 OE2 GLU A 62 -7.520 -4.800 -9.827 1.00 0.00 O ATOM 0 H GLU A 62 -4.787 -5.805 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.776 -4.353 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.001 -5.381 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.261 -3.833 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.140 -6.009 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.798 -6.225 -7.457 1.00 0.00 H new ATOM 959 N LEU A 63 -4.816 -2.118 -6.145 1.00 0.00 N ATOM 960 CA LEU A 63 -4.696 -0.795 -5.480 1.00 0.00 C ATOM 961 C LEU A 63 -6.130 -0.320 -5.288 1.00 0.00 C ATOM 962 O LEU A 63 -6.781 0.097 -6.225 1.00 0.00 O ATOM 963 CB LEU A 63 -3.910 0.168 -6.390 1.00 0.00 C ATOM 964 CG LEU A 63 -4.338 1.623 -6.152 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.802 2.111 -4.805 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.768 2.502 -7.268 1.00 0.00 C ATOM 0 H LEU A 63 -4.731 -2.098 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.163 -0.843 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.842 0.064 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.075 -0.097 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.426 1.682 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.110 3.144 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.200 1.485 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.714 2.052 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.068 3.537 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.680 2.435 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.149 2.161 -8.230 1.00 0.00 H new ATOM 978 N VAL A 64 -6.664 -0.437 -4.106 1.00 0.00 N ATOM 979 CA VAL A 64 -8.063 -0.058 -3.912 1.00 0.00 C ATOM 980 C VAL A 64 -8.227 1.469 -3.984 1.00 0.00 C ATOM 981 O VAL A 64 -9.081 1.958 -4.695 1.00 0.00 O ATOM 982 CB VAL A 64 -8.502 -0.638 -2.578 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.884 -0.143 -2.247 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.556 -2.160 -2.688 1.00 0.00 C ATOM 0 H VAL A 64 -6.182 -0.780 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.698 -0.457 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.797 -0.335 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.200 -0.559 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.876 0.945 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.579 -0.457 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.870 -2.583 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.268 -2.444 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.568 -2.541 -2.946 1.00 0.00 H new ATOM 994 N ALA A 65 -7.428 2.240 -3.287 1.00 0.00 N ATOM 995 CA ALA A 65 -7.601 3.728 -3.395 1.00 0.00 C ATOM 996 C ALA A 65 -6.251 4.444 -3.250 1.00 0.00 C ATOM 997 O ALA A 65 -5.506 4.192 -2.355 1.00 0.00 O ATOM 998 CB ALA A 65 -8.546 4.208 -2.292 1.00 0.00 C ATOM 0 H ALA A 65 -6.685 1.920 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.017 3.961 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.674 5.288 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.514 3.719 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.124 3.960 -1.318 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.904 5.332 -4.120 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.598 6.002 -3.956 1.00 0.00 C ATOM 1006 C LYS A 66 -4.773 7.365 -3.314 1.00 0.00 C ATOM 1007 O LYS A 66 -5.840 7.947 -3.311 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.959 6.191 -5.308 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.352 5.037 -6.198 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.604 5.395 -7.001 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.236 5.534 -8.477 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.386 5.095 -9.319 1.00 0.00 N ATOM 0 H LYS A 66 -6.457 5.622 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.970 5.380 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.281 7.134 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.875 6.239 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.533 4.795 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.539 4.149 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.363 4.623 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.032 6.327 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.980 6.569 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.356 4.932 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.136 5.189 -10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.610 4.101 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.215 5.688 -9.111 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.710 7.874 -2.783 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.753 9.204 -2.141 1.00 0.00 C ATOM 1028 C GLU A 67 -2.486 9.981 -2.504 1.00 0.00 C ATOM 1029 O GLU A 67 -1.396 9.649 -2.084 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.837 9.021 -0.640 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.303 8.983 -0.204 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.505 9.906 0.998 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.922 9.632 2.035 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.240 10.871 0.863 1.00 0.00 O ATOM 0 H GLU A 67 -2.798 7.418 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.623 9.761 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.337 8.097 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.319 9.837 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.946 9.295 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.589 7.964 0.055 1.00 0.00 H new ATOM 1041 N THR A 68 -2.625 11.014 -3.282 1.00 0.00 N ATOM 1042 CA THR A 68 -1.440 11.824 -3.680 1.00 0.00 C ATOM 1043 C THR A 68 -1.812 13.300 -3.574 1.00 0.00 C ATOM 1044 O THR A 68 -1.350 14.128 -4.332 1.00 0.00 O ATOM 1045 CB THR A 68 -1.057 11.492 -5.125 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.121 11.862 -5.991 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.791 9.991 -5.252 1.00 0.00 C ATOM 0 H THR A 68 -3.515 11.336 -3.663 1.00 0.00 H new ATOM 0 HA THR A 68 -0.594 11.602 -3.029 1.00 0.00 H new ATOM 0 HB THR A 68 -0.157 12.042 -5.399 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.877 11.652 -6.917 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.518 9.756 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.025 9.709 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.690 9.438 -4.979 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.655 13.629 -2.633 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.074 15.051 -2.468 1.00 0.00 C ATOM 1057 C ASP A 69 -1.984 15.837 -1.744 1.00 0.00 C ATOM 1058 O ASP A 69 -2.143 16.996 -1.420 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.362 15.108 -1.653 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.442 14.272 -2.341 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.835 14.633 -3.438 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -5.858 13.284 -1.759 1.00 0.00 O ATOM 0 H ASP A 69 -3.072 12.975 -1.971 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.239 15.490 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.184 14.732 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.696 16.141 -1.553 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.883 15.207 -1.492 1.00 0.00 N ATOM 1068 CA GLY A 70 0.228 15.875 -0.799 1.00 0.00 C ATOM 1069 C GLY A 70 0.715 14.981 0.319 1.00 0.00 C ATOM 1070 O GLY A 70 -0.041 14.503 1.142 1.00 0.00 O ATOM 0 H GLY A 70 -0.706 14.235 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.039 16.081 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.099 16.835 -0.399 1.00 0.00 H new ATOM 1074 N LEU A 71 1.975 14.751 0.321 1.00 0.00 N ATOM 1075 CA LEU A 71 2.602 13.880 1.347 1.00 0.00 C ATOM 1076 C LEU A 71 1.903 14.046 2.704 1.00 0.00 C ATOM 1077 O LEU A 71 1.462 15.123 3.055 1.00 0.00 O ATOM 1078 CB LEU A 71 4.075 14.251 1.504 1.00 0.00 C ATOM 1079 CG LEU A 71 4.807 14.015 0.195 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.952 15.020 0.055 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.373 12.596 0.187 1.00 0.00 C ATOM 0 H LEU A 71 2.627 15.137 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 71 2.506 12.844 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.167 15.296 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.527 13.655 2.297 1.00 0.00 H new ATOM 0 HG LEU A 71 4.115 14.142 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.475 14.847 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.550 16.033 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.648 14.897 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.900 12.420 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.065 12.476 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.558 11.879 0.285 1.00 0.00 H new ATOM 1093 N PRO A 72 1.846 12.958 3.427 1.00 0.00 N ATOM 1094 CA PRO A 72 2.391 11.682 2.959 1.00 0.00 C ATOM 1095 C PRO A 72 1.367 11.013 2.046 1.00 0.00 C ATOM 1096 O PRO A 72 0.172 11.154 2.220 1.00 0.00 O ATOM 1097 CB PRO A 72 2.554 10.863 4.224 1.00 0.00 C ATOM 1098 CG PRO A 72 1.548 11.453 5.231 1.00 0.00 C ATOM 1099 CD PRO A 72 1.252 12.897 4.772 1.00 0.00 C ATOM 0 HA PRO A 72 3.323 11.789 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.350 9.809 4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.573 10.928 4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.634 10.860 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.961 11.445 6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.181 13.099 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.699 13.631 5.442 1.00 0.00 H new ATOM 1107 N TYR A 73 1.825 10.285 1.088 1.00 0.00 N ATOM 1108 CA TYR A 73 0.895 9.589 0.159 1.00 0.00 C ATOM 1109 C TYR A 73 0.221 8.429 0.866 1.00 0.00 C ATOM 1110 O TYR A 73 0.708 7.938 1.857 1.00 0.00 O ATOM 1111 CB TYR A 73 1.657 8.964 -0.980 1.00 0.00 C ATOM 1112 CG TYR A 73 2.761 9.849 -1.438 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.504 10.938 -2.270 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.053 9.535 -1.060 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.563 11.728 -2.718 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.121 10.305 -1.510 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.879 11.412 -2.341 1.00 0.00 C ATOM 1118 OH TYR A 73 5.932 12.180 -2.792 1.00 0.00 O ATOM 0 H TYR A 73 2.816 10.134 0.898 1.00 0.00 H new ATOM 0 HA TYR A 73 0.178 10.332 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.064 8.003 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.978 8.766 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.491 11.169 -2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.234 8.689 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.372 12.580 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.131 10.053 -1.222 1.00 0.00 H new ATOM 0 HH TYR A 73 5.629 13.102 -2.930 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.849 7.930 0.324 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.485 6.756 0.930 1.00 0.00 C ATOM 1130 C ARG A 74 -2.063 5.929 -0.185 1.00 0.00 C ATOM 1131 O ARG A 74 -2.422 6.430 -1.215 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.565 7.172 1.903 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.914 7.476 3.236 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.699 8.564 3.970 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.025 9.880 3.777 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.729 10.978 3.773 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.232 11.427 2.655 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -2.930 11.629 4.885 1.00 0.00 N ATOM 0 H ARG A 74 -1.305 8.292 -0.514 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.753 6.177 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.094 8.049 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.303 6.377 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.875 6.572 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.885 7.801 3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.720 8.608 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.762 8.328 5.032 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.014 9.922 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.074 10.919 1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.783 12.286 2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.537 11.280 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.481 12.488 4.881 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.148 4.670 0.008 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.687 3.813 -1.061 1.00 0.00 C ATOM 1154 C TYR A 75 -3.333 2.603 -0.441 1.00 0.00 C ATOM 1155 O TYR A 75 -2.699 1.861 0.285 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.576 3.339 -1.981 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.460 4.345 -2.029 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.600 5.551 -2.719 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.731 4.033 -1.410 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.474 6.445 -2.790 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.811 4.922 -1.463 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.683 6.129 -2.159 1.00 0.00 C ATOM 1163 OH TYR A 75 2.751 7.000 -2.234 1.00 0.00 O ATOM 0 H TYR A 75 -1.868 4.186 0.861 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.410 4.391 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.193 2.380 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.971 3.179 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.537 5.794 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.832 3.097 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.371 7.375 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.739 4.677 -0.969 1.00 0.00 H new ATOM 0 HH TYR A 75 3.484 6.667 -1.676 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.565 2.355 -0.726 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.168 1.172 -0.158 1.00 0.00 C ATOM 1175 C LEU A 76 -4.888 0.040 -1.126 1.00 0.00 C ATOM 1176 O LEU A 76 -4.754 0.273 -2.311 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.667 1.305 -0.041 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.200 0.009 0.537 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.923 -0.039 2.035 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.682 -0.062 0.264 1.00 0.00 C ATOM 0 H LEU A 76 -5.166 2.923 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.760 1.005 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.927 2.146 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.111 1.500 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.706 -0.845 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.308 -0.972 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.848 0.018 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.415 0.803 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.083 -0.989 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.179 0.787 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.855 -0.035 -0.812 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.804 -1.169 -0.681 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.542 -2.245 -1.646 1.00 0.00 C ATOM 1194 C ILE A 77 -5.295 -3.509 -1.251 1.00 0.00 C ATOM 1195 O ILE A 77 -4.956 -4.169 -0.289 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.045 -2.503 -1.655 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.326 -1.154 -1.776 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.679 -3.413 -2.829 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.880 -1.362 -2.223 1.00 0.00 C ATOM 0 H ILE A 77 -4.904 -1.454 0.293 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.883 -1.954 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.741 -3.001 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.848 -0.519 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.346 -0.636 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.604 -3.593 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.206 -4.362 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.966 -2.933 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.382 -0.396 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.358 -1.979 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.867 -1.860 -3.192 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.314 -3.863 -1.988 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.065 -5.097 -1.634 1.00 0.00 C ATOM 1213 C ARG A 78 -6.195 -6.314 -1.971 1.00 0.00 C ATOM 1214 O ARG A 78 -5.964 -6.628 -3.122 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.372 -5.156 -2.435 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.938 -6.579 -2.402 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.217 -6.641 -3.240 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.634 -8.063 -3.405 1.00 0.00 N ATOM 1219 CZ ARG A 78 -11.901 -8.378 -3.397 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.806 -7.455 -3.580 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.265 -9.616 -3.205 1.00 0.00 N ATOM 0 H ARG A 78 -6.653 -3.359 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.304 -5.094 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.097 -4.457 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.192 -4.851 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.202 -7.283 -2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.150 -6.873 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.010 -6.072 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.048 -6.185 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.929 -8.790 -3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.524 -6.486 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.795 -7.703 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.560 -10.339 -3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.255 -9.861 -3.199 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.713 -7.003 -0.967 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.860 -8.201 -1.217 1.00 0.00 C ATOM 1237 C LYS A 79 -5.660 -9.212 -2.015 1.00 0.00 C ATOM 1238 O LYS A 79 -6.774 -9.537 -1.662 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.445 -8.823 0.115 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.377 -9.891 -0.134 1.00 0.00 C ATOM 1241 CD LYS A 79 -4.032 -11.149 -0.710 1.00 0.00 C ATOM 1242 CE LYS A 79 -3.378 -12.389 -0.098 1.00 0.00 C ATOM 1243 NZ LYS A 79 -3.104 -13.389 -1.169 1.00 0.00 N ATOM 0 H LYS A 79 -5.875 -6.786 0.016 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.968 -7.909 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.057 -8.054 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.311 -9.266 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.624 -9.512 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.864 -10.130 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.101 -11.146 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.923 -11.165 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.450 -12.114 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.032 -12.822 0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.659 -14.232 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.997 -13.660 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.464 -12.974 -1.876 1.00 0.00 H new