USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 49 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 TYR OH : rot 165:sc= -0.341 USER MOD Set 2.1: A 46 SER OG : rot 155:sc= 0.402 USER MOD Set 2.2: A 48 THR OG1 : rot -20:sc= -1.6 USER MOD Single : A 44 ASN : amide:sc= -9.28! C(o=-9.3!,f=-3.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0797 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= -0.201 (180deg=-2.12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -52:sc= 0.775 USER MOD Single : A 68 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 0.112 (180deg=0.00716) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.0493 (180deg=-0.457) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -107:sc= -0.814 (180deg=-1.12) USER MOD Single : A 91 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -5.09! C(o=-5.1!,f=-11!) USER MOD Single : A 105 GLN : amide:sc= -2.51 K(o=-2.5,f=-4.2) USER MOD Single : A 108 MET CE :methyl 152:sc= -2.86 (180deg=-3.88) USER MOD Single : A 110 HIS : no HE2:sc= -0.849 K(o=-0.85,f=-0.31) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -0.829 16.081 -0.792 1.00 0.00 N ATOM 78 CA GLY A 38 -1.232 14.867 -1.477 1.00 0.00 C ATOM 79 C GLY A 38 -0.858 13.616 -0.707 1.00 0.00 C ATOM 80 O GLY A 38 -0.467 12.609 -1.298 1.00 0.00 O ATOM 0 HA2 GLY A 38 -2.310 14.884 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.766 14.837 -2.462 1.00 0.00 H new ATOM 84 N ARG A 39 -0.975 13.679 0.615 1.00 0.00 N ATOM 85 CA ARG A 39 -0.644 12.544 1.467 1.00 0.00 C ATOM 86 C ARG A 39 -1.786 11.533 1.494 1.00 0.00 C ATOM 87 O ARG A 39 -2.954 11.895 1.347 1.00 0.00 O ATOM 88 CB ARG A 39 -0.334 13.018 2.888 1.00 0.00 C ATOM 89 CG ARG A 39 0.261 11.937 3.775 1.00 0.00 C ATOM 90 CD ARG A 39 1.126 12.532 4.875 1.00 0.00 C ATOM 91 NE ARG A 39 1.487 11.541 5.885 1.00 0.00 N ATOM 92 CZ ARG A 39 1.823 11.850 7.132 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.844 13.118 7.521 1.00 0.00 N ATOM 94 NH2 ARG A 39 2.139 10.891 7.993 1.00 0.00 N ATOM 0 H ARG A 39 -1.297 14.505 1.120 1.00 0.00 H new ATOM 0 HA ARG A 39 0.239 12.057 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.359 13.858 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.251 13.388 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.541 11.348 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.859 11.256 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.033 12.950 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.593 13.356 5.350 1.00 0.00 H new ATOM 0 HE ARG A 39 1.481 10.557 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.602 13.858 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.102 13.353 8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.124 9.915 7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.397 11.130 8.950 1.00 0.00 H new ATOM 108 N LEU A 40 -1.442 10.264 1.683 1.00 0.00 N ATOM 109 CA LEU A 40 -2.438 9.199 1.729 1.00 0.00 C ATOM 110 C LEU A 40 -1.999 8.083 2.671 1.00 0.00 C ATOM 111 O LEU A 40 -0.834 7.686 2.680 1.00 0.00 O ATOM 112 CB LEU A 40 -2.676 8.635 0.327 1.00 0.00 C ATOM 113 CG LEU A 40 -3.162 9.633 -0.724 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.928 9.089 -2.125 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.634 9.956 -0.514 1.00 0.00 C ATOM 0 H LEU A 40 -0.480 9.947 1.807 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.369 9.622 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.746 8.190 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.407 7.830 0.400 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.590 10.554 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.280 9.813 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.863 8.911 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.473 8.153 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.962 10.668 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.222 9.042 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.774 10.390 0.476 1.00 0.00 H new ATOM 127 N PHE A 41 -2.941 7.578 3.462 1.00 0.00 N ATOM 128 CA PHE A 41 -2.652 6.506 4.407 1.00 0.00 C ATOM 129 C PHE A 41 -2.807 5.141 3.745 1.00 0.00 C ATOM 130 O PHE A 41 -3.879 4.798 3.246 1.00 0.00 O ATOM 131 CB PHE A 41 -3.577 6.605 5.622 1.00 0.00 C ATOM 132 CG PHE A 41 -3.289 5.578 6.679 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.984 5.258 7.016 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.324 4.933 7.337 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.716 4.314 7.989 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.062 3.989 8.311 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.757 3.678 8.637 1.00 0.00 C ATOM 0 H PHE A 41 -3.911 7.894 3.467 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.619 6.615 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.485 7.600 6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.610 6.496 5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.166 5.752 6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.347 5.171 7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.694 4.074 8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.878 3.494 8.817 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.550 2.939 9.397 1.00 0.00 H new ATOM 147 N VAL A 42 -1.728 4.364 3.743 1.00 0.00 N ATOM 148 CA VAL A 42 -1.743 3.035 3.143 1.00 0.00 C ATOM 149 C VAL A 42 -1.420 1.962 4.177 1.00 0.00 C ATOM 150 O VAL A 42 -0.575 2.161 5.050 1.00 0.00 O ATOM 151 CB VAL A 42 -0.737 2.933 1.981 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.957 1.649 1.196 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.848 4.148 1.073 1.00 0.00 C ATOM 0 H VAL A 42 -0.832 4.632 4.150 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.749 2.872 2.757 1.00 0.00 H new ATOM 0 HB VAL A 42 0.271 2.909 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.237 1.594 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.823 0.792 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.968 1.640 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.130 4.060 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.857 4.206 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.637 5.051 1.646 1.00 0.00 H new ATOM 163 N ARG A 43 -2.098 0.824 4.071 1.00 0.00 N ATOM 164 CA ARG A 43 -1.884 -0.282 4.997 1.00 0.00 C ATOM 165 C ARG A 43 -2.029 -1.624 4.284 1.00 0.00 C ATOM 166 O ARG A 43 -2.452 -1.682 3.131 1.00 0.00 O ATOM 167 CB ARG A 43 -2.874 -0.200 6.160 1.00 0.00 C ATOM 168 CG ARG A 43 -4.296 -0.578 5.777 1.00 0.00 C ATOM 169 CD ARG A 43 -5.268 -0.314 6.916 1.00 0.00 C ATOM 170 NE ARG A 43 -5.160 -1.316 7.972 1.00 0.00 N ATOM 171 CZ ARG A 43 -5.737 -1.196 9.162 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.460 -0.121 9.446 1.00 0.00 N ATOM 173 NH2 ARG A 43 -5.591 -2.151 10.072 1.00 0.00 N ATOM 0 H ARG A 43 -2.800 0.644 3.353 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.869 -0.205 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.536 -0.857 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.871 0.815 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.601 -0.010 4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.332 -1.632 5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.077 0.675 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.287 -0.305 6.528 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.611 -2.155 7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.574 0.616 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.902 -0.031 10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.035 -2.979 9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.035 -2.057 10.986 1.00 0.00 H new ATOM 187 N ASN A 44 -1.675 -2.699 4.981 1.00 0.00 N ATOM 188 CA ASN A 44 -1.765 -4.040 4.415 1.00 0.00 C ATOM 189 C ASN A 44 -0.691 -4.255 3.352 1.00 0.00 C ATOM 190 O ASN A 44 -0.992 -4.615 2.214 1.00 0.00 O ATOM 191 CB ASN A 44 -3.151 -4.268 3.809 1.00 0.00 C ATOM 192 CG ASN A 44 -3.581 -5.721 3.880 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.916 -6.229 4.950 1.00 0.00 O ATOM 194 ND2 ASN A 44 -3.573 -6.397 2.736 1.00 0.00 N ATOM 0 H ASN A 44 -1.323 -2.668 5.938 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.605 -4.758 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.880 -3.650 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.148 -3.943 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.852 -7.378 2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.288 -5.935 1.873 1.00 0.00 H new ATOM 201 N LEU A 45 0.562 -4.031 3.732 1.00 0.00 N ATOM 202 CA LEU A 45 1.682 -4.201 2.812 1.00 0.00 C ATOM 203 C LEU A 45 2.449 -5.483 3.119 1.00 0.00 C ATOM 204 O LEU A 45 3.112 -5.589 4.151 1.00 0.00 O ATOM 205 CB LEU A 45 2.622 -2.998 2.896 1.00 0.00 C ATOM 206 CG LEU A 45 2.298 -1.827 1.967 1.00 0.00 C ATOM 207 CD1 LEU A 45 1.927 -2.331 0.581 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.174 -0.981 2.548 1.00 0.00 C ATOM 0 H LEU A 45 0.828 -3.731 4.670 1.00 0.00 H new ATOM 0 HA LEU A 45 1.282 -4.273 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.621 -2.632 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.635 -3.338 2.680 1.00 0.00 H new ATOM 0 HG LEU A 45 3.187 -1.203 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.700 -1.483 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.762 -2.893 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.053 -2.978 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.957 -0.152 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.281 -1.595 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.478 -0.589 3.519 1.00 0.00 H new ATOM 220 N SER A 46 2.356 -6.453 2.216 1.00 0.00 N ATOM 221 CA SER A 46 3.040 -7.729 2.391 1.00 0.00 C ATOM 222 C SER A 46 4.523 -7.516 2.678 1.00 0.00 C ATOM 223 O SER A 46 5.189 -6.728 2.006 1.00 0.00 O ATOM 224 CB SER A 46 2.870 -8.598 1.143 1.00 0.00 C ATOM 225 OG SER A 46 2.939 -9.976 1.468 1.00 0.00 O ATOM 0 H SER A 46 1.814 -6.380 1.355 1.00 0.00 H new ATOM 0 HA SER A 46 2.593 -8.239 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.912 -8.380 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.645 -8.353 0.417 1.00 0.00 H new ATOM 0 HG SER A 46 2.448 -10.495 0.798 1.00 0.00 H new ATOM 231 N TYR A 47 5.032 -8.223 3.680 1.00 0.00 N ATOM 232 CA TYR A 47 6.436 -8.110 4.059 1.00 0.00 C ATOM 233 C TYR A 47 7.346 -8.380 2.865 1.00 0.00 C ATOM 234 O TYR A 47 8.481 -7.905 2.814 1.00 0.00 O ATOM 235 CB TYR A 47 6.760 -9.084 5.193 1.00 0.00 C ATOM 236 CG TYR A 47 5.597 -9.334 6.128 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.022 -8.293 6.846 1.00 0.00 C ATOM 238 CD2 TYR A 47 5.074 -10.611 6.291 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.961 -8.517 7.702 1.00 0.00 C ATOM 240 CE2 TYR A 47 4.012 -10.844 7.144 1.00 0.00 C ATOM 241 CZ TYR A 47 3.459 -9.794 7.847 1.00 0.00 C ATOM 242 OH TYR A 47 2.401 -10.020 8.697 1.00 0.00 O ATOM 0 H TYR A 47 4.494 -8.880 4.245 1.00 0.00 H new ATOM 0 HA TYR A 47 6.612 -7.091 4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.081 -10.033 4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.600 -8.693 5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.411 -7.292 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.505 -11.435 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.527 -7.697 8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.617 -11.843 7.260 1.00 0.00 H new ATOM 0 HH TYR A 47 2.168 -10.972 8.683 1.00 0.00 H new ATOM 252 N THR A 48 6.839 -9.147 1.905 1.00 0.00 N ATOM 253 CA THR A 48 7.605 -9.482 0.711 1.00 0.00 C ATOM 254 C THR A 48 7.889 -8.240 -0.127 1.00 0.00 C ATOM 255 O THR A 48 8.730 -8.265 -1.025 1.00 0.00 O ATOM 256 CB THR A 48 6.865 -10.515 -0.159 1.00 0.00 C ATOM 257 OG1 THR A 48 5.711 -9.915 -0.759 1.00 0.00 O ATOM 258 CG2 THR A 48 6.443 -11.719 0.671 1.00 0.00 C ATOM 0 H THR A 48 5.901 -9.548 1.931 1.00 0.00 H new ATOM 0 HA THR A 48 8.548 -9.911 1.051 1.00 0.00 H new ATOM 0 HB THR A 48 7.546 -10.853 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.461 -9.112 -0.256 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.922 -12.435 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.326 -12.191 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.778 -11.394 1.471 1.00 0.00 H new ATOM 266 N SER A 49 7.183 -7.155 0.174 1.00 0.00 N ATOM 267 CA SER A 49 7.358 -5.903 -0.554 1.00 0.00 C ATOM 268 C SER A 49 8.550 -5.122 -0.011 1.00 0.00 C ATOM 269 O SER A 49 8.831 -5.149 1.187 1.00 0.00 O ATOM 270 CB SER A 49 6.090 -5.053 -0.459 1.00 0.00 C ATOM 271 OG SER A 49 6.364 -3.694 -0.756 1.00 0.00 O ATOM 0 H SER A 49 6.485 -7.117 0.917 1.00 0.00 H new ATOM 0 HA SER A 49 7.549 -6.142 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.339 -5.436 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.670 -5.132 0.544 1.00 0.00 H new ATOM 0 HG SER A 49 5.537 -3.172 -0.690 1.00 0.00 H new ATOM 277 N SER A 50 9.248 -4.425 -0.902 1.00 0.00 N ATOM 278 CA SER A 50 10.413 -3.638 -0.515 1.00 0.00 C ATOM 279 C SER A 50 10.193 -2.158 -0.815 1.00 0.00 C ATOM 280 O SER A 50 9.500 -1.804 -1.767 1.00 0.00 O ATOM 281 CB SER A 50 11.660 -4.138 -1.248 1.00 0.00 C ATOM 282 OG SER A 50 11.827 -5.535 -1.074 1.00 0.00 O ATOM 0 H SER A 50 9.027 -4.389 -1.897 1.00 0.00 H new ATOM 0 HA SER A 50 10.559 -3.756 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.578 -3.908 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.540 -3.614 -0.875 1.00 0.00 H new ATOM 0 HG SER A 50 12.629 -5.831 -1.553 1.00 0.00 H new ATOM 288 N GLU A 51 10.789 -1.300 0.007 1.00 0.00 N ATOM 289 CA GLU A 51 10.657 0.142 -0.169 1.00 0.00 C ATOM 290 C GLU A 51 10.745 0.520 -1.645 1.00 0.00 C ATOM 291 O GLU A 51 9.984 1.358 -2.127 1.00 0.00 O ATOM 292 CB GLU A 51 11.742 0.876 0.622 1.00 0.00 C ATOM 293 CG GLU A 51 11.420 2.338 0.884 1.00 0.00 C ATOM 294 CD GLU A 51 12.664 3.185 1.070 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.375 2.983 2.077 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.927 4.049 0.208 1.00 0.00 O ATOM 0 H GLU A 51 11.367 -1.578 0.800 1.00 0.00 H new ATOM 0 HA GLU A 51 9.678 0.440 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.891 0.369 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.684 0.812 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.837 2.733 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.796 2.415 1.775 1.00 0.00 H new ATOM 303 N GLU A 52 11.679 -0.105 -2.356 1.00 0.00 N ATOM 304 CA GLU A 52 11.867 0.167 -3.776 1.00 0.00 C ATOM 305 C GLU A 52 10.617 -0.202 -4.570 1.00 0.00 C ATOM 306 O GLU A 52 10.149 0.572 -5.406 1.00 0.00 O ATOM 307 CB GLU A 52 13.072 -0.609 -4.311 1.00 0.00 C ATOM 308 CG GLU A 52 13.340 -0.373 -5.788 1.00 0.00 C ATOM 309 CD GLU A 52 14.161 -1.482 -6.416 1.00 0.00 C ATOM 310 OE1 GLU A 52 13.624 -2.597 -6.583 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.341 -1.235 -6.742 1.00 0.00 O ATOM 0 H GLU A 52 12.316 -0.802 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 52 12.050 1.235 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.957 -0.328 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.911 -1.674 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.391 -0.285 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.863 0.576 -5.912 1.00 0.00 H new ATOM 318 N ASP A 53 10.083 -1.388 -4.304 1.00 0.00 N ATOM 319 CA ASP A 53 8.887 -1.861 -4.993 1.00 0.00 C ATOM 320 C ASP A 53 7.747 -0.856 -4.854 1.00 0.00 C ATOM 321 O ASP A 53 7.087 -0.511 -5.835 1.00 0.00 O ATOM 322 CB ASP A 53 8.457 -3.220 -4.439 1.00 0.00 C ATOM 323 CG ASP A 53 9.283 -4.361 -4.999 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.479 -4.143 -5.286 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.735 -5.473 -5.148 1.00 0.00 O ATOM 0 H ASP A 53 10.459 -2.041 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 53 9.125 -1.969 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.545 -3.211 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.406 -3.388 -4.672 1.00 0.00 H new ATOM 330 N LEU A 54 7.521 -0.392 -3.630 1.00 0.00 N ATOM 331 CA LEU A 54 6.460 0.572 -3.362 1.00 0.00 C ATOM 332 C LEU A 54 6.696 1.869 -4.130 1.00 0.00 C ATOM 333 O LEU A 54 5.800 2.371 -4.808 1.00 0.00 O ATOM 334 CB LEU A 54 6.375 0.862 -1.862 1.00 0.00 C ATOM 335 CG LEU A 54 5.788 -0.252 -0.995 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.926 0.090 0.480 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.329 -0.494 -1.354 1.00 0.00 C ATOM 0 H LEU A 54 8.058 -0.668 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 54 5.517 0.140 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.378 1.088 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.775 1.760 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 54 6.346 -1.168 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.503 -0.715 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.980 0.212 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.394 1.018 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.927 -1.290 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.758 0.420 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.256 -0.785 -2.402 1.00 0.00 H new ATOM 349 N GLU A 55 7.908 2.405 -4.019 1.00 0.00 N ATOM 350 CA GLU A 55 8.261 3.642 -4.704 1.00 0.00 C ATOM 351 C GLU A 55 7.784 3.617 -6.154 1.00 0.00 C ATOM 352 O GLU A 55 7.022 4.482 -6.585 1.00 0.00 O ATOM 353 CB GLU A 55 9.774 3.864 -4.657 1.00 0.00 C ATOM 354 CG GLU A 55 10.267 4.421 -3.332 1.00 0.00 C ATOM 355 CD GLU A 55 11.741 4.774 -3.359 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.573 3.846 -3.432 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.062 5.980 -3.309 1.00 0.00 O ATOM 0 H GLU A 55 8.661 2.002 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 55 7.764 4.465 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.278 2.918 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.057 4.548 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.689 5.310 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.087 3.689 -2.545 1.00 0.00 H new ATOM 364 N LYS A 56 8.240 2.618 -6.902 1.00 0.00 N ATOM 365 CA LYS A 56 7.861 2.476 -8.303 1.00 0.00 C ATOM 366 C LYS A 56 6.345 2.392 -8.451 1.00 0.00 C ATOM 367 O LYS A 56 5.751 3.095 -9.269 1.00 0.00 O ATOM 368 CB LYS A 56 8.514 1.230 -8.906 1.00 0.00 C ATOM 369 CG LYS A 56 9.967 1.433 -9.296 1.00 0.00 C ATOM 370 CD LYS A 56 10.851 1.629 -8.076 1.00 0.00 C ATOM 371 CE LYS A 56 12.284 1.949 -8.471 1.00 0.00 C ATOM 372 NZ LYS A 56 13.048 2.554 -7.344 1.00 0.00 N ATOM 0 H LYS A 56 8.873 1.894 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 56 8.212 3.358 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.450 0.413 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.949 0.925 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.316 0.571 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.051 2.301 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.452 2.437 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.834 0.727 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.782 1.037 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.283 2.635 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.033 2.220 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.031 3.590 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.615 2.274 -6.441 1.00 0.00 H new ATOM 386 N LEU A 57 5.725 1.528 -7.655 1.00 0.00 N ATOM 387 CA LEU A 57 4.277 1.353 -7.696 1.00 0.00 C ATOM 388 C LEU A 57 3.565 2.702 -7.700 1.00 0.00 C ATOM 389 O LEU A 57 2.995 3.111 -8.712 1.00 0.00 O ATOM 390 CB LEU A 57 3.810 0.521 -6.501 1.00 0.00 C ATOM 391 CG LEU A 57 2.309 0.547 -6.210 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.544 -0.207 -7.285 1.00 0.00 C ATOM 393 CD2 LEU A 57 2.022 -0.041 -4.836 1.00 0.00 C ATOM 0 H LEU A 57 6.202 0.938 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 57 4.026 0.828 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.110 -0.514 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.338 0.869 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 57 1.975 1.585 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.478 -0.178 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.724 0.258 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.881 -1.243 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.949 -0.014 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.371 -1.073 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.540 0.543 -4.075 1.00 0.00 H new ATOM 405 N PHE A 58 3.605 3.389 -6.564 1.00 0.00 N ATOM 406 CA PHE A 58 2.964 4.693 -6.437 1.00 0.00 C ATOM 407 C PHE A 58 3.536 5.681 -7.450 1.00 0.00 C ATOM 408 O PHE A 58 2.813 6.516 -7.995 1.00 0.00 O ATOM 409 CB PHE A 58 3.145 5.238 -5.018 1.00 0.00 C ATOM 410 CG PHE A 58 2.573 4.344 -3.955 1.00 0.00 C ATOM 411 CD1 PHE A 58 1.202 4.224 -3.797 1.00 0.00 C ATOM 412 CD2 PHE A 58 3.407 3.624 -3.115 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.673 3.403 -2.819 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.883 2.800 -2.136 1.00 0.00 C ATOM 415 CZ PHE A 58 1.515 2.689 -1.988 1.00 0.00 C ATOM 0 H PHE A 58 4.074 3.065 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 58 1.900 4.568 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.208 5.383 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.672 6.218 -4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.539 4.778 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.478 3.707 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.398 3.320 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.544 2.244 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.104 2.045 -1.224 1.00 0.00 H new ATOM 425 N SER A 59 4.838 5.580 -7.696 1.00 0.00 N ATOM 426 CA SER A 59 5.509 6.466 -8.640 1.00 0.00 C ATOM 427 C SER A 59 4.776 6.489 -9.978 1.00 0.00 C ATOM 428 O SER A 59 4.652 7.537 -10.613 1.00 0.00 O ATOM 429 CB SER A 59 6.958 6.023 -8.847 1.00 0.00 C ATOM 430 OG SER A 59 7.433 6.411 -10.124 1.00 0.00 O ATOM 0 H SER A 59 5.450 4.893 -7.255 1.00 0.00 H new ATOM 0 HA SER A 59 5.501 7.473 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.589 6.460 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.029 4.940 -8.743 1.00 0.00 H new ATOM 0 HG SER A 59 8.362 6.117 -10.231 1.00 0.00 H new ATOM 436 N ALA A 60 4.292 5.326 -10.401 1.00 0.00 N ATOM 437 CA ALA A 60 3.570 5.212 -11.662 1.00 0.00 C ATOM 438 C ALA A 60 2.423 6.215 -11.731 1.00 0.00 C ATOM 439 O ALA A 60 2.262 6.921 -12.726 1.00 0.00 O ATOM 440 CB ALA A 60 3.046 3.795 -11.844 1.00 0.00 C ATOM 0 H ALA A 60 4.387 4.449 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 60 4.264 5.438 -12.471 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.509 3.724 -12.790 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.882 3.096 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.371 3.549 -11.024 1.00 0.00 H new ATOM 446 N TYR A 61 1.629 6.271 -10.668 1.00 0.00 N ATOM 447 CA TYR A 61 0.494 7.186 -10.609 1.00 0.00 C ATOM 448 C TYR A 61 0.963 8.637 -10.639 1.00 0.00 C ATOM 449 O TYR A 61 0.264 9.517 -11.141 1.00 0.00 O ATOM 450 CB TYR A 61 -0.329 6.930 -9.346 1.00 0.00 C ATOM 451 CG TYR A 61 -1.048 5.600 -9.351 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.260 5.445 -10.013 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.517 4.498 -8.692 1.00 0.00 C ATOM 454 CE1 TYR A 61 -2.921 4.232 -10.020 1.00 0.00 C ATOM 455 CE2 TYR A 61 -1.170 3.281 -8.695 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.372 3.153 -9.360 1.00 0.00 C ATOM 457 OH TYR A 61 -3.026 1.942 -9.364 1.00 0.00 O ATOM 0 H TYR A 61 1.750 5.694 -9.835 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.131 7.007 -11.484 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.329 6.974 -8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.061 7.729 -9.232 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.693 6.288 -10.531 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.423 4.595 -8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.862 4.129 -10.539 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.742 2.434 -8.179 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.505 1.287 -8.854 1.00 0.00 H new ATOM 467 N GLY A 62 2.153 8.880 -10.097 1.00 0.00 N ATOM 468 CA GLY A 62 2.696 10.225 -10.072 1.00 0.00 C ATOM 469 C GLY A 62 4.023 10.301 -9.343 1.00 0.00 C ATOM 470 O GLY A 62 4.468 9.338 -8.718 1.00 0.00 O ATOM 0 H GLY A 62 2.750 8.169 -9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.826 10.580 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.982 10.893 -9.591 1.00 0.00 H new ATOM 474 N PRO A 63 4.680 11.468 -9.421 1.00 0.00 N ATOM 475 CA PRO A 63 5.974 11.693 -8.770 1.00 0.00 C ATOM 476 C PRO A 63 5.857 11.747 -7.251 1.00 0.00 C ATOM 477 O PRO A 63 5.161 12.602 -6.701 1.00 0.00 O ATOM 478 CB PRO A 63 6.416 13.051 -9.321 1.00 0.00 C ATOM 479 CG PRO A 63 5.149 13.740 -9.694 1.00 0.00 C ATOM 480 CD PRO A 63 4.208 12.658 -10.149 1.00 0.00 C ATOM 0 HA PRO A 63 6.678 10.886 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.971 13.619 -8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.071 12.934 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.736 14.285 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.319 14.468 -10.487 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.173 12.896 -9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.254 12.513 -11.228 1.00 0.00 H new ATOM 488 N LEU A 64 6.543 10.831 -6.576 1.00 0.00 N ATOM 489 CA LEU A 64 6.516 10.774 -5.119 1.00 0.00 C ATOM 490 C LEU A 64 7.403 11.859 -4.516 1.00 0.00 C ATOM 491 O LEU A 64 8.586 11.959 -4.840 1.00 0.00 O ATOM 492 CB LEU A 64 6.974 9.398 -4.634 1.00 0.00 C ATOM 493 CG LEU A 64 6.211 8.199 -5.199 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.885 6.898 -4.793 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.763 8.220 -4.732 1.00 0.00 C ATOM 0 H LEU A 64 7.125 10.117 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 64 5.490 10.945 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.029 9.281 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.896 9.373 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 64 6.222 8.266 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.328 6.056 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.905 6.881 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.906 6.823 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.235 7.360 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.731 8.178 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.284 9.137 -5.074 1.00 0.00 H new ATOM 507 N SER A 65 6.823 12.669 -3.635 1.00 0.00 N ATOM 508 CA SER A 65 7.560 13.748 -2.988 1.00 0.00 C ATOM 509 C SER A 65 8.273 13.244 -1.737 1.00 0.00 C ATOM 510 O SER A 65 9.297 13.792 -1.331 1.00 0.00 O ATOM 511 CB SER A 65 6.613 14.893 -2.622 1.00 0.00 C ATOM 512 OG SER A 65 5.815 14.556 -1.501 1.00 0.00 O ATOM 0 H SER A 65 5.845 12.598 -3.353 1.00 0.00 H new ATOM 0 HA SER A 65 8.309 14.115 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.191 15.791 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.972 15.125 -3.472 1.00 0.00 H new ATOM 0 HG SER A 65 5.373 13.696 -1.661 1.00 0.00 H new ATOM 518 N GLU A 66 7.724 12.195 -1.132 1.00 0.00 N ATOM 519 CA GLU A 66 8.308 11.617 0.073 1.00 0.00 C ATOM 520 C GLU A 66 7.639 10.290 0.419 1.00 0.00 C ATOM 521 O GLU A 66 6.420 10.149 0.310 1.00 0.00 O ATOM 522 CB GLU A 66 8.175 12.589 1.247 1.00 0.00 C ATOM 523 CG GLU A 66 8.482 11.960 2.596 1.00 0.00 C ATOM 524 CD GLU A 66 8.977 12.971 3.612 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.035 13.589 3.368 1.00 0.00 O ATOM 526 OE2 GLU A 66 8.307 13.144 4.651 1.00 0.00 O ATOM 0 H GLU A 66 6.877 11.729 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 66 9.365 11.432 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.847 13.432 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.161 12.988 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.584 11.475 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.234 11.182 2.467 1.00 0.00 H new ATOM 533 N LEU A 67 8.444 9.320 0.836 1.00 0.00 N ATOM 534 CA LEU A 67 7.932 8.003 1.198 1.00 0.00 C ATOM 535 C LEU A 67 8.263 7.669 2.649 1.00 0.00 C ATOM 536 O LEU A 67 9.299 8.082 3.171 1.00 0.00 O ATOM 537 CB LEU A 67 8.515 6.935 0.272 1.00 0.00 C ATOM 538 CG LEU A 67 8.000 5.510 0.482 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.590 5.365 -0.070 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.936 4.503 -0.171 1.00 0.00 C ATOM 0 H LEU A 67 9.455 9.420 0.932 1.00 0.00 H new ATOM 0 HA LEU A 67 6.848 8.020 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.311 7.225 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.598 6.930 0.393 1.00 0.00 H new ATOM 0 HG LEU A 67 7.972 5.309 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.240 4.345 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.925 6.060 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.593 5.586 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.554 3.495 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.997 4.703 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.929 4.589 0.271 1.00 0.00 H new ATOM 552 N HIS A 68 7.377 6.918 3.296 1.00 0.00 N ATOM 553 CA HIS A 68 7.577 6.526 4.687 1.00 0.00 C ATOM 554 C HIS A 68 7.299 5.038 4.877 1.00 0.00 C ATOM 555 O HIS A 68 6.145 4.618 4.961 1.00 0.00 O ATOM 556 CB HIS A 68 6.672 7.348 5.605 1.00 0.00 C ATOM 557 CG HIS A 68 6.735 6.927 7.041 1.00 0.00 C ATOM 558 ND1 HIS A 68 5.926 5.944 7.573 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.517 7.359 8.057 1.00 0.00 C ATOM 560 CE1 HIS A 68 6.207 5.792 8.855 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.170 6.639 9.173 1.00 0.00 N ATOM 0 H HIS A 68 6.514 6.569 2.879 1.00 0.00 H new ATOM 0 HA HIS A 68 8.618 6.719 4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.951 8.399 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.643 7.266 5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.274 8.128 8.000 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.731 5.094 9.528 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.588 6.741 10.098 1.00 0.00 H new ATOM 570 N TYR A 69 8.363 4.247 4.944 1.00 0.00 N ATOM 571 CA TYR A 69 8.234 2.805 5.121 1.00 0.00 C ATOM 572 C TYR A 69 8.847 2.362 6.446 1.00 0.00 C ATOM 573 O TYR A 69 10.045 2.097 6.548 1.00 0.00 O ATOM 574 CB TYR A 69 8.905 2.065 3.963 1.00 0.00 C ATOM 575 CG TYR A 69 8.315 0.699 3.694 1.00 0.00 C ATOM 576 CD1 TYR A 69 6.940 0.521 3.604 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.132 -0.412 3.530 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.396 -0.725 3.359 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.597 -1.662 3.283 1.00 0.00 C ATOM 580 CZ TYR A 69 7.229 -1.813 3.199 1.00 0.00 C ATOM 581 OH TYR A 69 6.692 -3.057 2.954 1.00 0.00 O ATOM 0 H TYR A 69 9.325 4.579 4.878 1.00 0.00 H new ATOM 0 HA TYR A 69 7.172 2.560 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.824 2.671 3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.968 1.956 4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.285 1.371 3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.204 -0.297 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.325 -0.847 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.247 -2.516 3.157 1.00 0.00 H new ATOM 0 HH TYR A 69 7.395 -3.659 2.631 1.00 0.00 H new ATOM 591 N PRO A 70 8.005 2.278 7.487 1.00 0.00 N ATOM 592 CA PRO A 70 8.440 1.866 8.825 1.00 0.00 C ATOM 593 C PRO A 70 8.815 0.389 8.884 1.00 0.00 C ATOM 594 O PRO A 70 8.158 -0.452 8.270 1.00 0.00 O ATOM 595 CB PRO A 70 7.212 2.141 9.697 1.00 0.00 C ATOM 596 CG PRO A 70 6.057 2.069 8.759 1.00 0.00 C ATOM 597 CD PRO A 70 6.564 2.578 7.438 1.00 0.00 C ATOM 0 HA PRO A 70 9.335 2.399 9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.120 1.404 10.495 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.275 3.120 10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.691 1.046 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.225 2.675 9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.078 2.077 6.601 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.380 3.646 7.321 1.00 0.00 H new ATOM 605 N ILE A 71 9.874 0.081 9.625 1.00 0.00 N ATOM 606 CA ILE A 71 10.335 -1.294 9.764 1.00 0.00 C ATOM 607 C ILE A 71 10.796 -1.578 11.189 1.00 0.00 C ATOM 608 O ILE A 71 11.295 -0.689 11.880 1.00 0.00 O ATOM 609 CB ILE A 71 11.489 -1.603 8.791 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.109 -1.190 7.368 1.00 0.00 C ATOM 611 CG2 ILE A 71 11.844 -3.081 8.843 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.026 -2.052 6.757 1.00 0.00 C ATOM 0 H ILE A 71 10.429 0.766 10.138 1.00 0.00 H new ATOM 0 HA ILE A 71 9.488 -1.936 9.524 1.00 0.00 H new ATOM 0 HB ILE A 71 12.364 -1.029 9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.775 -0.153 7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.996 -1.234 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.661 -3.284 8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.152 -3.346 9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 71 10.974 -3.674 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.808 -1.701 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.365 -3.087 6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.124 -1.989 7.366 1.00 0.00 H new ATOM 624 N ASP A 72 10.629 -2.823 11.622 1.00 0.00 N ATOM 625 CA ASP A 72 11.031 -3.225 12.965 1.00 0.00 C ATOM 626 C ASP A 72 12.548 -3.348 13.064 1.00 0.00 C ATOM 627 O ASP A 72 13.195 -3.907 12.178 1.00 0.00 O ATOM 628 CB ASP A 72 10.374 -4.555 13.340 1.00 0.00 C ATOM 629 CG ASP A 72 10.125 -4.677 14.831 1.00 0.00 C ATOM 630 OD1 ASP A 72 11.111 -4.746 15.593 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.943 -4.706 15.235 1.00 0.00 O ATOM 0 H ASP A 72 10.218 -3.571 11.063 1.00 0.00 H new ATOM 0 HA ASP A 72 10.700 -2.455 13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.428 -4.653 12.807 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.011 -5.377 13.012 1.00 0.00 H new ATOM 636 N SER A 73 13.110 -2.821 14.147 1.00 0.00 N ATOM 637 CA SER A 73 14.552 -2.867 14.360 1.00 0.00 C ATOM 638 C SER A 73 14.984 -4.242 14.858 1.00 0.00 C ATOM 639 O SER A 73 16.168 -4.487 15.091 1.00 0.00 O ATOM 640 CB SER A 73 14.975 -1.793 15.364 1.00 0.00 C ATOM 641 OG SER A 73 14.731 -2.214 16.695 1.00 0.00 O ATOM 0 H SER A 73 12.589 -2.357 14.891 1.00 0.00 H new ATOM 0 HA SER A 73 15.041 -2.675 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.035 -1.570 15.238 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.430 -0.870 15.165 1.00 0.00 H new ATOM 0 HG SER A 73 15.012 -1.511 17.317 1.00 0.00 H new ATOM 647 N LEU A 74 14.015 -5.138 15.018 1.00 0.00 N ATOM 648 CA LEU A 74 14.294 -6.490 15.488 1.00 0.00 C ATOM 649 C LEU A 74 14.164 -7.499 14.351 1.00 0.00 C ATOM 650 O LEU A 74 15.112 -8.216 14.030 1.00 0.00 O ATOM 651 CB LEU A 74 13.342 -6.862 16.626 1.00 0.00 C ATOM 652 CG LEU A 74 13.049 -5.758 17.643 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.744 -6.037 18.372 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.197 -5.626 18.633 1.00 0.00 C ATOM 0 H LEU A 74 13.030 -4.952 14.829 1.00 0.00 H new ATOM 0 HA LEU A 74 15.319 -6.516 15.857 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.397 -7.188 16.191 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.760 -7.717 17.158 1.00 0.00 H new ATOM 0 HG LEU A 74 12.948 -4.814 17.107 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.552 -5.241 19.092 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.927 -6.080 17.652 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.816 -6.990 18.896 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.971 -4.836 19.349 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.330 -6.569 19.163 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.113 -5.379 18.097 1.00 0.00 H new ATOM 666 N THR A 75 12.983 -7.549 13.743 1.00 0.00 N ATOM 667 CA THR A 75 12.728 -8.468 12.641 1.00 0.00 C ATOM 668 C THR A 75 13.176 -7.871 11.312 1.00 0.00 C ATOM 669 O THR A 75 13.303 -8.579 10.313 1.00 0.00 O ATOM 670 CB THR A 75 11.235 -8.835 12.549 1.00 0.00 C ATOM 671 OG1 THR A 75 10.489 -7.727 12.034 1.00 0.00 O ATOM 672 CG2 THR A 75 10.689 -9.230 13.913 1.00 0.00 C ATOM 0 H THR A 75 12.187 -6.963 13.996 1.00 0.00 H new ATOM 0 HA THR A 75 13.304 -9.371 12.843 1.00 0.00 H new ATOM 0 HB THR A 75 11.134 -9.686 11.875 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.541 -7.969 11.977 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.633 -9.485 13.822 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.239 -10.092 14.289 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.803 -8.396 14.606 1.00 0.00 H new ATOM 680 N LYS A 76 13.415 -6.564 11.306 1.00 0.00 N ATOM 681 CA LYS A 76 13.851 -5.871 10.100 1.00 0.00 C ATOM 682 C LYS A 76 12.801 -5.981 8.999 1.00 0.00 C ATOM 683 O LYS A 76 13.127 -5.970 7.812 1.00 0.00 O ATOM 684 CB LYS A 76 15.182 -6.446 9.610 1.00 0.00 C ATOM 685 CG LYS A 76 16.275 -6.432 10.663 1.00 0.00 C ATOM 686 CD LYS A 76 16.789 -5.024 10.916 1.00 0.00 C ATOM 687 CE LYS A 76 18.227 -5.035 11.411 1.00 0.00 C ATOM 688 NZ LYS A 76 18.308 -5.298 12.874 1.00 0.00 N ATOM 0 H LYS A 76 13.314 -5.963 12.124 1.00 0.00 H new ATOM 0 HA LYS A 76 13.985 -4.817 10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.024 -7.471 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.517 -5.876 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.891 -6.852 11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.099 -7.069 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.724 -4.441 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.154 -4.531 11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.790 -5.798 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.695 -4.076 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.147 -4.824 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.454 -4.932 13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.380 -6.322 13.039 1.00 0.00 H new ATOM 702 N LYS A 77 11.538 -6.087 9.400 1.00 0.00 N ATOM 703 CA LYS A 77 10.439 -6.197 8.449 1.00 0.00 C ATOM 704 C LYS A 77 9.312 -5.233 8.806 1.00 0.00 C ATOM 705 O LYS A 77 9.102 -4.890 9.970 1.00 0.00 O ATOM 706 CB LYS A 77 9.907 -7.631 8.416 1.00 0.00 C ATOM 707 CG LYS A 77 10.844 -8.612 7.733 1.00 0.00 C ATOM 708 CD LYS A 77 10.081 -9.761 7.095 1.00 0.00 C ATOM 709 CE LYS A 77 10.988 -10.950 6.823 1.00 0.00 C ATOM 710 NZ LYS A 77 10.442 -11.832 5.754 1.00 0.00 N ATOM 0 H LYS A 77 11.251 -6.099 10.379 1.00 0.00 H new ATOM 0 HA LYS A 77 10.819 -5.935 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.726 -7.966 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.946 -7.641 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.424 -8.092 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.554 -9.005 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.266 -10.067 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.630 -9.425 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.976 -10.594 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.116 -11.526 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.090 -12.631 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.511 -12.193 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.344 -11.289 4.872 1.00 0.00 H new ATOM 724 N PRO A 78 8.568 -4.786 7.783 1.00 0.00 N ATOM 725 CA PRO A 78 7.449 -3.858 7.966 1.00 0.00 C ATOM 726 C PRO A 78 6.264 -4.509 8.670 1.00 0.00 C ATOM 727 O PRO A 78 5.892 -5.642 8.364 1.00 0.00 O ATOM 728 CB PRO A 78 7.072 -3.471 6.533 1.00 0.00 C ATOM 729 CG PRO A 78 7.528 -4.617 5.699 1.00 0.00 C ATOM 730 CD PRO A 78 8.762 -5.153 6.371 1.00 0.00 C ATOM 0 HA PRO A 78 7.722 -3.010 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.998 -3.313 6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.559 -2.544 6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.756 -5.383 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.746 -4.296 4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.852 -6.232 6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.668 -4.708 5.961 1.00 0.00 H new ATOM 738 N LYS A 79 5.673 -3.786 9.616 1.00 0.00 N ATOM 739 CA LYS A 79 4.529 -4.293 10.364 1.00 0.00 C ATOM 740 C LYS A 79 3.320 -4.474 9.452 1.00 0.00 C ATOM 741 O LYS A 79 2.451 -5.305 9.715 1.00 0.00 O ATOM 742 CB LYS A 79 4.179 -3.339 11.508 1.00 0.00 C ATOM 743 CG LYS A 79 5.147 -3.408 12.676 1.00 0.00 C ATOM 744 CD LYS A 79 5.289 -2.061 13.365 1.00 0.00 C ATOM 745 CE LYS A 79 6.635 -1.929 14.059 1.00 0.00 C ATOM 746 NZ LYS A 79 7.761 -1.896 13.085 1.00 0.00 N ATOM 0 H LYS A 79 5.968 -2.847 9.883 1.00 0.00 H new ATOM 0 HA LYS A 79 4.799 -5.265 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.157 -2.319 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.175 -3.567 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.799 -4.150 13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.123 -3.741 12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.177 -1.262 12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.489 -1.938 14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.647 -1.019 14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.773 -2.764 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.572 -1.400 13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.038 -2.868 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.461 -1.396 12.224 1.00 0.00 H new ATOM 760 N GLY A 80 3.271 -3.693 8.377 1.00 0.00 N ATOM 761 CA GLY A 80 2.166 -3.784 7.442 1.00 0.00 C ATOM 762 C GLY A 80 1.445 -2.463 7.265 1.00 0.00 C ATOM 763 O GLY A 80 0.221 -2.426 7.143 1.00 0.00 O ATOM 0 H GLY A 80 3.978 -2.998 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.539 -4.123 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.459 -4.536 7.792 1.00 0.00 H new ATOM 767 N PHE A 81 2.206 -1.373 7.252 1.00 0.00 N ATOM 768 CA PHE A 81 1.632 -0.042 7.091 1.00 0.00 C ATOM 769 C PHE A 81 2.703 0.966 6.682 1.00 0.00 C ATOM 770 O PHE A 81 3.857 0.863 7.096 1.00 0.00 O ATOM 771 CB PHE A 81 0.961 0.408 8.390 1.00 0.00 C ATOM 772 CG PHE A 81 1.925 0.956 9.403 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.300 2.290 9.371 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.455 0.139 10.388 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.186 2.798 10.302 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.341 0.641 11.322 1.00 0.00 C ATOM 777 CZ PHE A 81 3.708 1.972 11.279 1.00 0.00 C ATOM 0 H PHE A 81 3.221 -1.385 7.351 1.00 0.00 H new ATOM 0 HA PHE A 81 0.882 -0.090 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.216 1.170 8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.429 -0.437 8.827 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.895 2.940 8.610 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.172 -0.903 10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.470 3.839 10.266 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.746 -0.007 12.085 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.401 2.366 12.007 1.00 0.00 H new ATOM 787 N ALA A 82 2.310 1.939 5.867 1.00 0.00 N ATOM 788 CA ALA A 82 3.234 2.967 5.404 1.00 0.00 C ATOM 789 C ALA A 82 2.496 4.256 5.061 1.00 0.00 C ATOM 790 O ALA A 82 1.269 4.272 4.959 1.00 0.00 O ATOM 791 CB ALA A 82 4.016 2.468 4.197 1.00 0.00 C ATOM 0 H ALA A 82 1.358 2.037 5.514 1.00 0.00 H new ATOM 0 HA ALA A 82 3.932 3.183 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.702 3.245 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.582 1.578 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.324 2.222 3.391 1.00 0.00 H new ATOM 797 N PHE A 83 3.250 5.336 4.885 1.00 0.00 N ATOM 798 CA PHE A 83 2.666 6.631 4.556 1.00 0.00 C ATOM 799 C PHE A 83 3.278 7.194 3.277 1.00 0.00 C ATOM 800 O PHE A 83 4.477 7.469 3.218 1.00 0.00 O ATOM 801 CB PHE A 83 2.870 7.615 5.710 1.00 0.00 C ATOM 802 CG PHE A 83 1.869 7.456 6.818 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.567 7.903 6.662 1.00 0.00 C ATOM 804 CD2 PHE A 83 2.230 6.859 8.015 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.357 7.758 7.680 1.00 0.00 C ATOM 806 CE2 PHE A 83 1.310 6.711 9.036 1.00 0.00 C ATOM 807 CZ PHE A 83 0.016 7.162 8.869 1.00 0.00 C ATOM 0 H PHE A 83 4.267 5.340 4.965 1.00 0.00 H new ATOM 0 HA PHE A 83 1.597 6.489 4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.873 7.484 6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.813 8.633 5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.270 8.370 5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.241 6.505 8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.369 8.110 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.603 6.243 9.964 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.703 7.049 9.667 1.00 0.00 H new ATOM 817 N VAL A 84 2.447 7.364 2.254 1.00 0.00 N ATOM 818 CA VAL A 84 2.905 7.895 0.976 1.00 0.00 C ATOM 819 C VAL A 84 2.481 9.349 0.801 1.00 0.00 C ATOM 820 O VAL A 84 1.367 9.730 1.161 1.00 0.00 O ATOM 821 CB VAL A 84 2.360 7.067 -0.204 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.885 7.610 -1.524 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.725 5.600 -0.038 1.00 0.00 C ATOM 0 H VAL A 84 1.452 7.141 2.286 1.00 0.00 H new ATOM 0 HA VAL A 84 3.993 7.835 0.980 1.00 0.00 H new ATOM 0 HB VAL A 84 1.273 7.148 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.490 7.013 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.568 8.646 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.974 7.561 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.332 5.030 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.810 5.497 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.295 5.221 0.889 1.00 0.00 H new ATOM 833 N THR A 85 3.377 10.158 0.244 1.00 0.00 N ATOM 834 CA THR A 85 3.097 11.571 0.022 1.00 0.00 C ATOM 835 C THR A 85 3.369 11.964 -1.426 1.00 0.00 C ATOM 836 O THR A 85 4.521 12.028 -1.856 1.00 0.00 O ATOM 837 CB THR A 85 3.939 12.464 0.952 1.00 0.00 C ATOM 838 OG1 THR A 85 3.755 12.064 2.314 1.00 0.00 O ATOM 839 CG2 THR A 85 3.555 13.927 0.791 1.00 0.00 C ATOM 0 H THR A 85 4.303 9.858 -0.062 1.00 0.00 H new ATOM 0 HA THR A 85 2.041 11.723 0.245 1.00 0.00 H new ATOM 0 HB THR A 85 4.988 12.348 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.295 12.636 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.163 14.538 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.725 14.236 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.502 14.056 1.040 1.00 0.00 H new ATOM 847 N PHE A 86 2.302 12.227 -2.173 1.00 0.00 N ATOM 848 CA PHE A 86 2.427 12.614 -3.574 1.00 0.00 C ATOM 849 C PHE A 86 2.686 14.112 -3.703 1.00 0.00 C ATOM 850 O PHE A 86 2.067 14.922 -3.014 1.00 0.00 O ATOM 851 CB PHE A 86 1.160 12.236 -4.344 1.00 0.00 C ATOM 852 CG PHE A 86 1.097 10.783 -4.718 1.00 0.00 C ATOM 853 CD1 PHE A 86 1.717 10.323 -5.868 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.417 9.877 -3.919 1.00 0.00 C ATOM 855 CE1 PHE A 86 1.660 8.986 -6.216 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.357 8.539 -4.261 1.00 0.00 C ATOM 857 CZ PHE A 86 0.980 8.093 -5.410 1.00 0.00 C ATOM 0 H PHE A 86 1.342 12.179 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 86 3.276 12.078 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.289 12.485 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.102 12.839 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.251 11.017 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.071 10.220 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.146 8.640 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.176 7.843 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.936 7.048 -5.678 1.00 0.00 H new ATOM 867 N MET A 87 3.607 14.473 -4.591 1.00 0.00 N ATOM 868 CA MET A 87 3.949 15.873 -4.811 1.00 0.00 C ATOM 869 C MET A 87 2.707 16.687 -5.159 1.00 0.00 C ATOM 870 O MET A 87 2.470 17.752 -4.588 1.00 0.00 O ATOM 871 CB MET A 87 4.984 15.997 -5.930 1.00 0.00 C ATOM 872 CG MET A 87 5.932 17.172 -5.753 1.00 0.00 C ATOM 873 SD MET A 87 6.974 17.449 -7.199 1.00 0.00 S ATOM 874 CE MET A 87 7.978 15.966 -7.181 1.00 0.00 C ATOM 0 H MET A 87 4.130 13.815 -5.170 1.00 0.00 H new ATOM 0 HA MET A 87 4.374 16.267 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 87 5.565 15.076 -5.980 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.466 16.099 -6.883 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.353 18.073 -5.549 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.564 16.996 -4.883 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.989 16.215 -6.858 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.545 15.242 -6.491 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.012 15.537 -8.183 1.00 0.00 H new ATOM 884 N PHE A 88 1.917 16.180 -6.100 1.00 0.00 N ATOM 885 CA PHE A 88 0.700 16.862 -6.525 1.00 0.00 C ATOM 886 C PHE A 88 -0.539 16.077 -6.102 1.00 0.00 C ATOM 887 O PHE A 88 -0.555 14.846 -6.103 1.00 0.00 O ATOM 888 CB PHE A 88 0.701 17.055 -8.043 1.00 0.00 C ATOM 889 CG PHE A 88 1.992 17.607 -8.576 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.200 18.975 -8.645 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.999 16.757 -9.006 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.387 19.485 -9.136 1.00 0.00 C ATOM 893 CE2 PHE A 88 4.188 17.262 -9.497 1.00 0.00 C ATOM 894 CZ PHE A 88 4.383 18.627 -9.561 1.00 0.00 C ATOM 0 H PHE A 88 2.098 15.300 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 88 0.673 17.839 -6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.499 16.098 -8.523 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.113 17.727 -8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.426 19.650 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.853 15.688 -8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.536 20.553 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.964 16.589 -9.830 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.312 19.024 -9.943 1.00 0.00 H new ATOM 904 N PRO A 89 -1.602 16.806 -5.730 1.00 0.00 N ATOM 905 CA PRO A 89 -2.865 16.200 -5.298 1.00 0.00 C ATOM 906 C PRO A 89 -3.606 15.523 -6.446 1.00 0.00 C ATOM 907 O PRO A 89 -4.280 14.512 -6.251 1.00 0.00 O ATOM 908 CB PRO A 89 -3.668 17.392 -4.771 1.00 0.00 C ATOM 909 CG PRO A 89 -3.113 18.571 -5.492 1.00 0.00 C ATOM 910 CD PRO A 89 -1.653 18.277 -5.704 1.00 0.00 C ATOM 0 HA PRO A 89 -2.709 15.414 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.733 17.271 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.556 17.499 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.623 18.722 -6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.247 19.483 -4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.287 18.708 -6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.040 18.686 -4.901 1.00 0.00 H new ATOM 918 N GLU A 90 -3.477 16.089 -7.642 1.00 0.00 N ATOM 919 CA GLU A 90 -4.137 15.539 -8.821 1.00 0.00 C ATOM 920 C GLU A 90 -3.839 14.049 -8.966 1.00 0.00 C ATOM 921 O GLU A 90 -4.743 13.242 -9.180 1.00 0.00 O ATOM 922 CB GLU A 90 -3.687 16.285 -10.079 1.00 0.00 C ATOM 923 CG GLU A 90 -2.187 16.230 -10.316 1.00 0.00 C ATOM 924 CD GLU A 90 -1.666 17.455 -11.042 1.00 0.00 C ATOM 925 OE1 GLU A 90 -1.441 18.487 -10.377 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.483 17.381 -12.275 1.00 0.00 O ATOM 0 H GLU A 90 -2.923 16.926 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.212 15.666 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.199 15.863 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.996 17.327 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.675 16.135 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.947 15.339 -10.896 1.00 0.00 H new ATOM 933 N HIS A 91 -2.563 13.693 -8.849 1.00 0.00 N ATOM 934 CA HIS A 91 -2.145 12.301 -8.967 1.00 0.00 C ATOM 935 C HIS A 91 -2.530 11.510 -7.721 1.00 0.00 C ATOM 936 O HIS A 91 -2.844 10.323 -7.800 1.00 0.00 O ATOM 937 CB HIS A 91 -0.634 12.217 -9.191 1.00 0.00 C ATOM 938 CG HIS A 91 -0.153 13.048 -10.341 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.991 13.817 -10.286 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.666 13.226 -11.581 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.159 14.434 -11.442 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.168 14.092 -12.246 1.00 0.00 N ATOM 0 H HIS A 91 -1.802 14.349 -8.673 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.657 11.866 -9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.122 12.536 -8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.358 11.177 -9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.564 12.772 -11.974 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.969 15.104 -11.688 1.00 0.00 H new ATOM 0 HE2 HIS A 91 0.042 14.418 -13.204 1.00 0.00 H new ATOM 951 N ALA A 92 -2.504 12.176 -6.571 1.00 0.00 N ATOM 952 CA ALA A 92 -2.852 11.536 -5.309 1.00 0.00 C ATOM 953 C ALA A 92 -4.284 11.013 -5.335 1.00 0.00 C ATOM 954 O ALA A 92 -4.630 10.084 -4.604 1.00 0.00 O ATOM 955 CB ALA A 92 -2.665 12.510 -4.154 1.00 0.00 C ATOM 0 H ALA A 92 -2.245 13.159 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.185 10.686 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.929 12.019 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.624 12.832 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.308 13.378 -4.302 1.00 0.00 H new ATOM 961 N VAL A 93 -5.114 11.614 -6.182 1.00 0.00 N ATOM 962 CA VAL A 93 -6.509 11.208 -6.303 1.00 0.00 C ATOM 963 C VAL A 93 -6.642 9.949 -7.152 1.00 0.00 C ATOM 964 O VAL A 93 -7.298 8.985 -6.755 1.00 0.00 O ATOM 965 CB VAL A 93 -7.366 12.326 -6.925 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.811 11.872 -7.072 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.280 13.592 -6.086 1.00 0.00 C ATOM 0 H VAL A 93 -4.844 12.384 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.869 11.003 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.977 12.548 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.402 12.675 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.853 10.994 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.215 11.621 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.892 14.372 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.643 13.386 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.244 13.926 -6.037 1.00 0.00 H new ATOM 977 N LYS A 94 -6.015 9.962 -8.323 1.00 0.00 N ATOM 978 CA LYS A 94 -6.061 8.821 -9.230 1.00 0.00 C ATOM 979 C LYS A 94 -5.652 7.539 -8.511 1.00 0.00 C ATOM 980 O LYS A 94 -6.387 6.552 -8.516 1.00 0.00 O ATOM 981 CB LYS A 94 -5.144 9.060 -10.431 1.00 0.00 C ATOM 982 CG LYS A 94 -4.855 7.804 -11.235 1.00 0.00 C ATOM 983 CD LYS A 94 -6.065 7.370 -12.045 1.00 0.00 C ATOM 984 CE LYS A 94 -5.688 6.343 -13.103 1.00 0.00 C ATOM 985 NZ LYS A 94 -5.288 6.988 -14.384 1.00 0.00 N ATOM 0 H LYS A 94 -5.468 10.751 -8.667 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.087 8.709 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.602 9.803 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.202 9.481 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.014 7.985 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.559 7.000 -10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.818 6.948 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.514 8.240 -12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.868 5.727 -12.735 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.533 5.677 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.039 6.255 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.079 7.556 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.466 7.604 -14.221 1.00 0.00 H new ATOM 999 N ALA A 95 -4.475 7.562 -7.894 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.971 6.402 -7.168 1.00 0.00 C ATOM 1001 C ALA A 95 -4.995 5.899 -6.157 1.00 0.00 C ATOM 1002 O ALA A 95 -5.322 4.713 -6.128 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.662 6.745 -6.471 1.00 0.00 C ATOM 0 H ALA A 95 -3.853 8.370 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.789 5.604 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.296 5.871 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.924 7.049 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.827 7.561 -5.768 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.498 6.808 -5.329 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.483 6.456 -4.313 1.00 0.00 C ATOM 1011 C TYR A 96 -7.744 5.882 -4.953 1.00 0.00 C ATOM 1012 O TYR A 96 -8.546 5.226 -4.290 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.838 7.681 -3.470 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.148 7.546 -2.727 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.326 6.559 -1.766 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.208 8.406 -2.988 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.522 6.431 -1.086 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.407 8.287 -2.311 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.559 7.298 -1.362 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.752 7.175 -0.687 1.00 0.00 O ATOM 0 H TYR A 96 -5.240 7.795 -5.342 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.045 5.694 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.039 7.861 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.886 8.556 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.515 5.880 -1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.093 9.180 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.644 5.657 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.220 8.965 -2.524 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.377 7.863 -0.999 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.910 6.135 -6.247 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.070 5.643 -6.979 1.00 0.00 C ATOM 1032 C ALA A 97 -8.810 4.253 -7.550 1.00 0.00 C ATOM 1033 O ALA A 97 -9.728 3.445 -7.682 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.443 6.611 -8.092 1.00 0.00 C ATOM 0 H ALA A 97 -7.255 6.678 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.904 5.571 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.311 6.230 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.680 7.585 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.605 6.713 -8.782 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.553 3.983 -7.888 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.174 2.690 -8.447 1.00 0.00 C ATOM 1042 C GLU A 98 -6.642 1.762 -7.359 1.00 0.00 C ATOM 1043 O GLU A 98 -7.186 0.682 -7.127 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.118 2.872 -9.539 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.612 3.662 -10.739 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.268 2.784 -11.786 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -8.493 2.557 -11.686 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -6.559 2.323 -12.704 1.00 0.00 O ATOM 0 H GLU A 98 -6.781 4.641 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.064 2.237 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.251 3.378 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.782 1.891 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.325 4.416 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.774 4.193 -11.189 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.574 2.191 -6.693 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.968 1.400 -5.629 1.00 0.00 C ATOM 1057 C VAL A 99 -6.021 0.902 -4.646 1.00 0.00 C ATOM 1058 O VAL A 99 -6.178 -0.303 -4.446 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.908 2.212 -4.861 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.213 1.339 -3.827 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.899 2.817 -5.825 1.00 0.00 C ATOM 0 H VAL A 99 -5.111 3.082 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.487 0.545 -6.105 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.408 3.026 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.468 1.929 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.949 0.959 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.724 0.503 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.158 3.387 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.402 2.020 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.413 3.478 -6.523 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.742 1.836 -4.036 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.783 1.492 -3.074 1.00 0.00 C ATOM 1073 C ASP A 100 -8.638 0.339 -3.588 1.00 0.00 C ATOM 1074 O ASP A 100 -9.473 0.519 -4.474 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.664 2.709 -2.787 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.898 2.353 -1.983 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.777 2.186 -0.751 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.987 2.242 -2.585 1.00 0.00 O ATOM 0 H ASP A 100 -6.625 2.837 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.299 1.177 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.083 3.455 -2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -8.967 3.165 -3.730 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.423 -0.847 -3.027 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.182 -2.013 -3.443 1.00 0.00 C ATOM 1085 C GLY A 101 -8.377 -2.942 -4.330 1.00 0.00 C ATOM 1086 O GLY A 101 -8.942 -3.726 -5.092 1.00 0.00 O ATOM 0 H GLY A 101 -7.737 -1.022 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.518 -2.558 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.076 -1.690 -3.977 1.00 0.00 H new ATOM 1090 N GLN A 102 -7.054 -2.853 -4.231 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.171 -3.691 -5.033 1.00 0.00 C ATOM 1092 C GLN A 102 -5.364 -4.635 -4.148 1.00 0.00 C ATOM 1093 O GLN A 102 -5.266 -4.435 -2.937 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.227 -2.823 -5.867 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.988 -2.372 -5.110 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.950 -1.739 -6.016 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.518 -0.608 -5.790 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -2.542 -2.467 -7.049 1.00 0.00 N ATOM 0 H GLN A 102 -6.571 -2.210 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.789 -4.289 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.919 -3.381 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.769 -1.944 -6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.277 -1.657 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.546 -3.228 -4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.926 -3.400 -7.199 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.844 -2.093 -7.692 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.787 -5.665 -4.759 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.988 -6.639 -4.027 1.00 0.00 C ATOM 1109 C VAL A 103 -2.505 -6.484 -4.345 1.00 0.00 C ATOM 1110 O VAL A 103 -2.126 -6.253 -5.493 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.423 -8.080 -4.352 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.473 -9.082 -3.714 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.853 -8.321 -3.891 1.00 0.00 C ATOM 0 H VAL A 103 -4.859 -5.846 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.151 -6.448 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.385 -8.217 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.797 -10.095 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.465 -8.923 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.475 -8.948 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.144 -9.344 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.919 -8.165 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.521 -7.626 -4.400 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.669 -6.613 -3.320 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.226 -6.487 -3.490 1.00 0.00 C ATOM 1125 C PHE A 104 0.512 -7.553 -2.686 1.00 0.00 C ATOM 1126 O PHE A 104 0.523 -7.520 -1.456 1.00 0.00 O ATOM 1127 CB PHE A 104 0.240 -5.094 -3.059 1.00 0.00 C ATOM 1128 CG PHE A 104 1.541 -4.678 -3.682 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.688 -4.650 -5.060 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.619 -4.315 -2.890 1.00 0.00 C ATOM 1131 CE1 PHE A 104 2.884 -4.268 -5.636 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.817 -3.931 -3.461 1.00 0.00 C ATOM 1133 CZ PHE A 104 3.951 -3.908 -4.836 1.00 0.00 C ATOM 0 H PHE A 104 -1.966 -6.805 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 104 0.004 -6.629 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.528 -4.366 -3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.343 -5.074 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.857 -4.930 -5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.521 -4.333 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.985 -4.251 -6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.649 -3.649 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.887 -3.609 -5.284 1.00 0.00 H new ATOM 1143 N GLN A 105 1.125 -8.498 -3.391 1.00 0.00 N ATOM 1144 CA GLN A 105 1.864 -9.575 -2.743 1.00 0.00 C ATOM 1145 C GLN A 105 0.942 -10.419 -1.868 1.00 0.00 C ATOM 1146 O GLN A 105 1.374 -10.999 -0.873 1.00 0.00 O ATOM 1147 CB GLN A 105 3.005 -9.004 -1.899 1.00 0.00 C ATOM 1148 CG GLN A 105 4.203 -8.554 -2.720 1.00 0.00 C ATOM 1149 CD GLN A 105 3.813 -8.065 -4.101 1.00 0.00 C ATOM 1150 OE1 GLN A 105 3.552 -8.861 -5.003 1.00 0.00 O ATOM 1151 NE2 GLN A 105 3.771 -6.749 -4.273 1.00 0.00 N ATOM 0 H GLN A 105 1.125 -8.540 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 105 2.282 -10.214 -3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.631 -8.158 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.329 -9.759 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.723 -7.756 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.904 -9.383 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.995 -6.126 -3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.515 -6.361 -5.181 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.331 -10.481 -2.247 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.294 -11.255 -1.486 1.00 0.00 C ATOM 1162 C GLY A 106 -1.864 -10.481 -0.314 1.00 0.00 C ATOM 1163 O GLY A 106 -2.306 -11.071 0.672 1.00 0.00 O ATOM 0 H GLY A 106 -0.712 -10.009 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.107 -11.565 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.817 -12.164 -1.120 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.853 -9.157 -0.420 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.370 -8.301 0.641 1.00 0.00 C ATOM 1169 C ARG A 107 -3.262 -7.204 0.068 1.00 0.00 C ATOM 1170 O ARG A 107 -2.836 -6.424 -0.784 1.00 0.00 O ATOM 1171 CB ARG A 107 -1.217 -7.676 1.429 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.776 -8.504 2.624 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.236 -7.626 3.742 1.00 0.00 C ATOM 1174 NE ARG A 107 0.472 -8.404 4.755 1.00 0.00 N ATOM 1175 CZ ARG A 107 -0.131 -9.233 5.599 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -1.447 -9.392 5.551 1.00 0.00 N ATOM 1177 NH2 ARG A 107 0.582 -9.906 6.493 1.00 0.00 N ATOM 0 H ARG A 107 -1.492 -8.653 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.967 -8.918 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.367 -7.535 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.518 -6.687 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.618 -9.088 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.008 -9.213 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.437 -6.878 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.060 -7.087 4.209 1.00 0.00 H new ATOM 0 HE ARG A 107 1.485 -8.305 4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.998 -8.877 4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.908 -10.029 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.594 -9.787 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.118 -10.543 7.141 1.00 0.00 H new ATOM 1191 N MET A 108 -4.503 -7.150 0.541 1.00 0.00 N ATOM 1192 CA MET A 108 -5.455 -6.148 0.076 1.00 0.00 C ATOM 1193 C MET A 108 -5.042 -4.752 0.533 1.00 0.00 C ATOM 1194 O MET A 108 -5.195 -4.400 1.703 1.00 0.00 O ATOM 1195 CB MET A 108 -6.859 -6.470 0.591 1.00 0.00 C ATOM 1196 CG MET A 108 -7.969 -5.834 -0.231 1.00 0.00 C ATOM 1197 SD MET A 108 -8.451 -6.843 -1.646 1.00 0.00 S ATOM 1198 CE MET A 108 -8.530 -5.602 -2.935 1.00 0.00 C ATOM 0 H MET A 108 -4.873 -7.788 1.246 1.00 0.00 H new ATOM 0 HA MET A 108 -5.462 -6.168 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.996 -7.551 0.596 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.944 -6.133 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.838 -5.669 0.406 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.641 -4.856 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.320 -6.065 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.526 -5.160 -2.954 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.792 -4.825 -2.738 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.518 -3.961 -0.397 1.00 0.00 N ATOM 1209 CA LEU A 109 -4.082 -2.603 -0.090 1.00 0.00 C ATOM 1210 C LEU A 109 -5.278 -1.697 0.184 1.00 0.00 C ATOM 1211 O LEU A 109 -6.183 -1.578 -0.643 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.254 -2.039 -1.246 1.00 0.00 C ATOM 1213 CG LEU A 109 -2.060 -2.883 -1.691 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.209 -2.118 -2.693 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -1.225 -3.302 -0.489 1.00 0.00 C ATOM 0 H LEU A 109 -4.385 -4.237 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.464 -2.639 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.913 -1.897 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.889 -1.053 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.437 -3.783 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.364 -2.735 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.811 -1.869 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.841 -1.201 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.379 -3.902 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.858 -2.414 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.839 -3.890 0.193 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.274 -1.057 1.349 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.357 -0.158 1.732 1.00 0.00 C ATOM 1229 C HIS A 110 -5.867 1.285 1.800 1.00 0.00 C ATOM 1230 O HIS A 110 -5.137 1.661 2.717 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.942 -0.575 3.082 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.786 -1.811 3.013 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.882 -2.019 3.823 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.689 -2.906 2.224 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.423 -3.189 3.535 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.718 -3.748 2.568 1.00 0.00 N ATOM 0 H HIS A 110 -4.533 -1.144 2.044 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.136 -0.223 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.127 -0.740 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.543 0.244 3.477 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -9.222 -1.371 4.533 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.942 -3.085 1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.294 -3.616 4.010 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.273 2.089 0.822 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.875 3.491 0.772 1.00 0.00 C ATOM 1247 C VAL A 111 -7.004 4.400 1.244 1.00 0.00 C ATOM 1248 O VAL A 111 -8.136 4.303 0.767 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.460 3.906 -0.652 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.748 5.250 -0.631 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.579 2.837 -1.282 1.00 0.00 C ATOM 0 H VAL A 111 -6.877 1.794 0.055 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.020 3.601 1.439 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.360 4.008 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.462 5.526 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.415 6.009 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.855 5.179 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.295 3.146 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.682 2.701 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.128 1.897 -1.333 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.690 5.284 2.185 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.678 6.212 2.723 1.00 0.00 C ATOM 1263 C LEU A 112 -7.170 7.649 2.655 1.00 0.00 C ATOM 1264 O LEU A 112 -5.993 7.928 2.882 1.00 0.00 O ATOM 1265 CB LEU A 112 -8.015 5.847 4.170 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.910 4.622 4.362 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.967 4.227 5.829 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.309 4.894 3.826 1.00 0.00 C ATOM 0 H LEU A 112 -5.759 5.377 2.591 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.580 6.136 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.082 5.678 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.501 6.704 4.636 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.482 3.792 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.608 3.354 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.963 3.990 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.370 5.054 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.932 4.012 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.745 5.738 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.252 5.127 2.763 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.078 8.583 2.337 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.746 10.007 2.234 1.00 0.00 C ATOM 1282 C PRO A 113 -7.436 10.630 3.591 1.00 0.00 C ATOM 1283 O PRO A 113 -8.115 10.355 4.580 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.013 10.625 1.639 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.109 9.696 2.033 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.499 8.322 2.053 1.00 0.00 C ATOM 0 HA PRO A 113 -6.852 10.174 1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.185 11.628 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.939 10.713 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.511 9.959 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.936 9.746 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.953 7.692 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.631 7.810 1.100 1.00 0.00 H new ATOM 1294 N SER A 114 -6.406 11.470 3.631 1.00 0.00 N ATOM 1295 CA SER A 114 -6.005 12.129 4.868 1.00 0.00 C ATOM 1296 C SER A 114 -5.746 13.614 4.633 1.00 0.00 C ATOM 1297 O SER A 114 -5.143 14.001 3.631 1.00 0.00 O ATOM 1298 CB SER A 114 -4.751 11.465 5.441 1.00 0.00 C ATOM 1299 OG SER A 114 -4.486 11.924 6.755 1.00 0.00 O ATOM 0 H SER A 114 -5.835 11.710 2.821 1.00 0.00 H new ATOM 0 HA SER A 114 -6.820 12.029 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.880 10.383 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.897 11.679 4.799 1.00 0.00 H new ATOM 0 HG SER A 114 -3.681 11.484 7.099 1.00 0.00 H new