USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 956 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 45 GLN : amide:sc= -6.66! C(o=-6.8!,f=-5.9!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 11 LYS NZ :NH3+ -126:sc= -0.0708 (180deg=-2.88!) USER MOD Single : A 14 ASN : amide:sc= -2.33 K(o=-2.3,f=-7.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -1:sc= -3.68! USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0588 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= 0 USER MOD Single : A 30 THR OG1 : rot -76:sc= -0.18 USER MOD Single : A 37 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=-0.014) USER MOD Single : A 41 GLN : amide:sc=-0.00912 K(o=-0.0091,f=-0.59) USER MOD Single : A 42 THR OG1 : rot 86:sc= 0.473 USER MOD Single : A 46 ASN : amide:sc= -7.22! C(o=-7.2!,f=-22!) USER MOD Single : A 48 CYS SG : rot -37:sc= -3.11 USER MOD Single : A 53 SER OG : rot 74:sc= 1.09 USER MOD Single : A 60 THR OG1 : rot 120:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= -0.185 (180deg=-0.509) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -121:sc= -2.48 (180deg=-7.77!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot -142:sc= -9.98! USER MOD Single : A 111 LYS NZ :NH3+ -119:sc= 0.00656 (180deg=-0.101) USER MOD Single : A 117 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-4!) USER MOD Single : A 122 MET CE :methyl -167:sc=-0.00341 (180deg=-0.229) USER MOD Single : A 124 CYS SG : rot 11:sc= 0.885 USER MOD Single : A 133 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.91) USER MOD Single : A 134 GLN : amide:sc= -5.27! C(o=-5.3!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -4.503 -23.730 -2.282 1.00 0.00 N ATOM 112 CA LYS A 11 -3.648 -22.979 -3.245 1.00 0.00 C ATOM 113 C LYS A 11 -2.606 -22.154 -2.491 1.00 0.00 C ATOM 114 O LYS A 11 -1.465 -22.054 -2.899 1.00 0.00 O ATOM 115 CB LYS A 11 -4.513 -22.053 -4.105 1.00 0.00 C ATOM 116 CG LYS A 11 -5.045 -20.895 -3.262 1.00 0.00 C ATOM 117 CD LYS A 11 -6.109 -20.139 -4.064 1.00 0.00 C ATOM 118 CE LYS A 11 -6.439 -18.808 -3.388 1.00 0.00 C ATOM 119 NZ LYS A 11 -7.131 -19.053 -2.091 1.00 0.00 N ATOM 0 HA LYS A 11 -3.138 -23.695 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.927 -21.666 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.344 -22.613 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.472 -21.272 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.231 -20.223 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.751 -19.960 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.011 -20.746 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.524 -18.239 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.073 -18.207 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.028 -18.527 -2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.323 -20.070 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.525 -18.733 -1.308 1.00 0.00 H new ATOM 133 N PHE A 12 -2.988 -21.554 -1.404 1.00 0.00 N ATOM 134 CA PHE A 12 -2.014 -20.731 -0.641 1.00 0.00 C ATOM 135 C PHE A 12 -0.849 -21.592 -0.102 1.00 0.00 C ATOM 136 O PHE A 12 0.291 -21.168 -0.101 1.00 0.00 O ATOM 137 CB PHE A 12 -2.736 -19.999 0.514 1.00 0.00 C ATOM 138 CG PHE A 12 -1.735 -19.544 1.562 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.317 -20.450 2.545 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.232 -18.232 1.562 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.398 -20.054 3.526 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.315 -17.838 2.547 1.00 0.00 C ATOM 143 CZ PHE A 12 0.103 -18.747 3.526 1.00 0.00 C ATOM 0 H PHE A 12 -3.928 -21.596 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.586 -19.991 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.280 -19.139 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.472 -20.662 0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.705 -21.458 2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.551 -17.530 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.077 -20.756 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.070 -16.829 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.812 -18.440 4.281 1.00 0.00 H new ATOM 153 N GLU A 13 -1.109 -22.769 0.406 1.00 0.00 N ATOM 154 CA GLU A 13 0.016 -23.573 0.981 1.00 0.00 C ATOM 155 C GLU A 13 0.914 -24.212 -0.091 1.00 0.00 C ATOM 156 O GLU A 13 2.060 -24.521 0.179 1.00 0.00 O ATOM 157 CB GLU A 13 -0.532 -24.647 1.925 1.00 0.00 C ATOM 158 CG GLU A 13 -1.248 -25.743 1.143 1.00 0.00 C ATOM 159 CD GLU A 13 -1.993 -26.663 2.113 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.550 -26.787 3.238 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.001 -27.217 1.711 1.00 0.00 O ATOM 0 H GLU A 13 -2.031 -23.203 0.449 1.00 0.00 H new ATOM 0 HA GLU A 13 0.645 -22.878 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.284 -25.081 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.221 -24.194 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.949 -25.300 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.528 -26.318 0.561 1.00 0.00 H new ATOM 168 N ASN A 14 0.435 -24.439 -1.292 1.00 0.00 N ATOM 169 CA ASN A 14 1.312 -25.089 -2.332 1.00 0.00 C ATOM 170 C ASN A 14 1.881 -24.056 -3.306 1.00 0.00 C ATOM 171 O ASN A 14 2.854 -24.324 -3.989 1.00 0.00 O ATOM 172 CB ASN A 14 0.496 -26.124 -3.102 1.00 0.00 C ATOM 173 CG ASN A 14 -0.762 -25.476 -3.679 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.693 -24.478 -4.360 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.919 -26.016 -3.430 1.00 0.00 N ATOM 0 H ASN A 14 -0.510 -24.208 -1.599 1.00 0.00 H new ATOM 0 HA ASN A 14 2.148 -25.570 -1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.098 -26.548 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.221 -26.946 -2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.769 -25.598 -3.809 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.976 -26.857 -2.856 1.00 0.00 H new ATOM 182 N GLU A 15 1.313 -22.882 -3.380 1.00 0.00 N ATOM 183 CA GLU A 15 1.873 -21.864 -4.316 1.00 0.00 C ATOM 184 C GLU A 15 3.058 -21.175 -3.654 1.00 0.00 C ATOM 185 O GLU A 15 2.951 -20.607 -2.583 1.00 0.00 O ATOM 186 CB GLU A 15 0.802 -20.846 -4.710 1.00 0.00 C ATOM 187 CG GLU A 15 -0.216 -21.507 -5.636 1.00 0.00 C ATOM 188 CD GLU A 15 -1.252 -20.478 -6.077 1.00 0.00 C ATOM 189 OE1 GLU A 15 -1.204 -19.367 -5.577 1.00 0.00 O ATOM 190 OE2 GLU A 15 -2.087 -20.823 -6.896 1.00 0.00 O ATOM 0 H GLU A 15 0.498 -22.587 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 15 2.210 -22.358 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.304 -20.464 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.262 -19.993 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.288 -21.926 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.706 -22.334 -5.123 1.00 0.00 H new ATOM 197 N GLU A 16 4.193 -21.235 -4.290 1.00 0.00 N ATOM 198 CA GLU A 16 5.423 -20.607 -3.723 1.00 0.00 C ATOM 199 C GLU A 16 5.491 -19.124 -4.123 1.00 0.00 C ATOM 200 O GLU A 16 6.441 -18.434 -3.816 1.00 0.00 O ATOM 201 CB GLU A 16 6.655 -21.332 -4.275 1.00 0.00 C ATOM 202 CG GLU A 16 6.682 -22.796 -3.807 1.00 0.00 C ATOM 203 CD GLU A 16 8.016 -23.436 -4.213 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.047 -22.913 -3.820 1.00 0.00 O ATOM 205 OE2 GLU A 16 7.982 -24.431 -4.917 1.00 0.00 O ATOM 0 H GLU A 16 4.325 -21.697 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 16 5.397 -20.684 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.647 -21.294 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.560 -20.823 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.556 -22.846 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.852 -23.346 -4.250 1.00 0.00 H new ATOM 212 N PHE A 17 4.503 -18.634 -4.821 1.00 0.00 N ATOM 213 CA PHE A 17 4.519 -17.205 -5.272 1.00 0.00 C ATOM 214 C PHE A 17 4.633 -16.236 -4.076 1.00 0.00 C ATOM 215 O PHE A 17 4.985 -15.083 -4.252 1.00 0.00 O ATOM 216 CB PHE A 17 3.214 -16.938 -6.071 1.00 0.00 C ATOM 217 CG PHE A 17 2.730 -15.505 -5.888 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.535 -14.433 -6.294 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.482 -15.257 -5.301 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.091 -13.112 -6.109 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.040 -13.943 -5.117 1.00 0.00 C ATOM 222 CZ PHE A 17 1.842 -12.869 -5.518 1.00 0.00 C ATOM 0 H PHE A 17 3.678 -19.163 -5.102 1.00 0.00 H new ATOM 0 HA PHE A 17 5.391 -17.032 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.388 -17.132 -7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.438 -17.630 -5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.496 -14.621 -6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.860 -16.083 -4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.711 -12.285 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.077 -13.757 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.500 -11.855 -5.373 1.00 0.00 H new ATOM 232 N PHE A 18 4.325 -16.662 -2.883 1.00 0.00 N ATOM 233 CA PHE A 18 4.386 -15.711 -1.736 1.00 0.00 C ATOM 234 C PHE A 18 5.852 -15.447 -1.335 1.00 0.00 C ATOM 235 O PHE A 18 6.314 -14.331 -1.401 1.00 0.00 O ATOM 236 CB PHE A 18 3.602 -16.319 -0.563 1.00 0.00 C ATOM 237 CG PHE A 18 2.250 -16.778 -1.067 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.250 -15.840 -1.359 1.00 0.00 C ATOM 239 CD2 PHE A 18 1.998 -18.143 -1.239 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.003 -16.269 -1.829 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.757 -18.571 -1.707 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.244 -17.636 -2.005 1.00 0.00 C ATOM 0 H PHE A 18 4.037 -17.613 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 18 3.944 -14.755 -2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.151 -17.159 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.479 -15.583 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.442 -14.786 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.766 -18.866 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.767 -15.547 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.566 -19.626 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.204 -17.969 -2.370 1.00 0.00 H new ATOM 252 N ARG A 19 6.599 -16.446 -0.956 1.00 0.00 N ATOM 253 CA ARG A 19 8.028 -16.194 -0.590 1.00 0.00 C ATOM 254 C ARG A 19 8.801 -15.620 -1.797 1.00 0.00 C ATOM 255 O ARG A 19 9.748 -14.882 -1.627 1.00 0.00 O ATOM 256 CB ARG A 19 8.692 -17.492 -0.083 1.00 0.00 C ATOM 257 CG ARG A 19 8.084 -18.719 -0.791 1.00 0.00 C ATOM 258 CD ARG A 19 6.924 -19.301 0.040 1.00 0.00 C ATOM 259 NE ARG A 19 7.468 -20.132 1.168 1.00 0.00 N ATOM 260 CZ ARG A 19 8.241 -21.158 0.944 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.349 -21.649 -0.260 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.875 -21.720 1.937 1.00 0.00 N ATOM 0 H ARG A 19 6.291 -17.416 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 19 8.056 -15.459 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.766 -17.454 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.555 -17.581 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.724 -18.435 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.851 -19.479 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.308 -18.493 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.281 -19.911 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 19 7.228 -19.888 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.828 -21.230 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.955 -22.452 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.765 -21.356 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.481 -22.523 1.766 1.00 0.00 H new ATOM 276 N LYS A 20 8.427 -15.952 -3.013 1.00 0.00 N ATOM 277 CA LYS A 20 9.172 -15.398 -4.191 1.00 0.00 C ATOM 278 C LYS A 20 9.067 -13.879 -4.238 1.00 0.00 C ATOM 279 O LYS A 20 10.001 -13.203 -4.630 1.00 0.00 O ATOM 280 CB LYS A 20 8.628 -15.983 -5.495 1.00 0.00 C ATOM 281 CG LYS A 20 9.002 -17.464 -5.572 1.00 0.00 C ATOM 282 CD LYS A 20 8.526 -18.034 -6.905 1.00 0.00 C ATOM 283 CE LYS A 20 8.787 -19.540 -6.960 1.00 0.00 C ATOM 284 NZ LYS A 20 8.045 -20.112 -8.119 1.00 0.00 N ATOM 0 H LYS A 20 7.650 -16.573 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 20 10.220 -15.677 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.545 -15.866 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.040 -15.446 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.081 -17.584 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.546 -18.010 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.462 -17.837 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.043 -17.538 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.855 -19.735 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.463 -20.014 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.214 -21.137 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.027 -19.934 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.375 -19.664 -8.998 1.00 0.00 H new ATOM 298 N LEU A 21 7.937 -13.326 -3.862 1.00 0.00 N ATOM 299 CA LEU A 21 7.776 -11.837 -3.911 1.00 0.00 C ATOM 300 C LEU A 21 7.091 -11.315 -2.649 1.00 0.00 C ATOM 301 O LEU A 21 7.390 -10.228 -2.194 1.00 0.00 O ATOM 302 CB LEU A 21 6.935 -11.459 -5.132 1.00 0.00 C ATOM 303 CG LEU A 21 7.753 -11.698 -6.408 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.856 -11.495 -7.630 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.949 -10.716 -6.467 1.00 0.00 C ATOM 0 H LEU A 21 7.123 -13.839 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 21 8.766 -11.387 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.021 -12.053 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.634 -10.413 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 21 8.137 -12.718 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.435 -11.664 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.025 -12.200 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.468 -10.476 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.522 -10.895 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.578 -9.691 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.589 -10.870 -5.598 1.00 0.00 H new ATOM 317 N SER A 22 6.175 -12.055 -2.082 1.00 0.00 N ATOM 318 CA SER A 22 5.488 -11.548 -0.856 1.00 0.00 C ATOM 319 C SER A 22 6.459 -11.622 0.328 1.00 0.00 C ATOM 320 O SER A 22 6.340 -12.452 1.208 1.00 0.00 O ATOM 321 CB SER A 22 4.237 -12.372 -0.545 1.00 0.00 C ATOM 322 OG SER A 22 4.617 -13.600 0.051 1.00 0.00 O ATOM 0 H SER A 22 5.876 -12.974 -2.407 1.00 0.00 H new ATOM 0 HA SER A 22 5.181 -10.516 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.581 -11.818 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.674 -12.558 -1.460 1.00 0.00 H new ATOM 0 HG SER A 22 5.594 -13.643 0.117 1.00 0.00 H new ATOM 328 N ARG A 23 7.431 -10.752 0.336 1.00 0.00 N ATOM 329 CA ARG A 23 8.459 -10.729 1.428 1.00 0.00 C ATOM 330 C ARG A 23 8.943 -9.285 1.603 1.00 0.00 C ATOM 331 O ARG A 23 8.441 -8.381 0.952 1.00 0.00 O ATOM 332 CB ARG A 23 9.646 -11.626 1.032 1.00 0.00 C ATOM 333 CG ARG A 23 10.318 -11.063 -0.225 1.00 0.00 C ATOM 334 CD ARG A 23 11.354 -12.052 -0.745 1.00 0.00 C ATOM 335 NE ARG A 23 12.391 -12.266 0.299 1.00 0.00 N ATOM 336 CZ ARG A 23 13.247 -13.239 0.174 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.167 -14.050 -0.848 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.185 -13.398 1.068 1.00 0.00 N ATOM 0 H ARG A 23 7.563 -10.039 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 23 8.030 -11.097 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.365 -11.677 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.301 -12.643 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.569 -10.870 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.795 -10.109 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.876 -12.998 -0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.812 -11.671 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 23 12.432 -11.651 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.435 -13.920 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.837 -14.813 -0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.246 -12.761 1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.857 -14.160 0.972 1.00 0.00 H new ATOM 352 N GLU A 24 9.907 -9.062 2.468 1.00 0.00 N ATOM 353 CA GLU A 24 10.456 -7.682 2.652 1.00 0.00 C ATOM 354 C GLU A 24 11.194 -7.277 1.368 1.00 0.00 C ATOM 355 O GLU A 24 12.174 -7.895 0.998 1.00 0.00 O ATOM 356 CB GLU A 24 11.420 -7.663 3.845 1.00 0.00 C ATOM 357 CG GLU A 24 12.521 -8.719 3.670 1.00 0.00 C ATOM 358 CD GLU A 24 13.141 -9.026 5.036 1.00 0.00 C ATOM 359 OE1 GLU A 24 12.827 -8.314 5.976 1.00 0.00 O ATOM 360 OE2 GLU A 24 13.915 -9.965 5.121 1.00 0.00 O ATOM 0 H GLU A 24 10.336 -9.778 3.054 1.00 0.00 H new ATOM 0 HA GLU A 24 9.647 -6.978 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.869 -6.674 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.870 -7.853 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.105 -9.627 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.285 -8.355 2.983 1.00 0.00 H new ATOM 367 N CYS A 25 10.738 -6.254 0.679 1.00 0.00 N ATOM 368 CA CYS A 25 11.428 -5.821 -0.585 1.00 0.00 C ATOM 369 C CYS A 25 11.609 -4.303 -0.582 1.00 0.00 C ATOM 370 O CYS A 25 10.843 -3.586 0.033 1.00 0.00 O ATOM 371 CB CYS A 25 10.576 -6.231 -1.782 1.00 0.00 C ATOM 372 SG CYS A 25 10.667 -8.026 -2.005 1.00 0.00 S ATOM 0 H CYS A 25 9.920 -5.701 0.935 1.00 0.00 H new ATOM 0 HA CYS A 25 12.407 -6.296 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.541 -5.926 -1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.926 -5.724 -2.681 1.00 0.00 H new ATOM 0 HG CYS A 25 9.939 -8.374 -3.024 1.00 0.00 H new ATOM 378 N GLU A 26 12.594 -3.800 -1.273 1.00 0.00 N ATOM 379 CA GLU A 26 12.781 -2.322 -1.308 1.00 0.00 C ATOM 380 C GLU A 26 11.595 -1.701 -2.061 1.00 0.00 C ATOM 381 O GLU A 26 11.058 -2.297 -2.976 1.00 0.00 O ATOM 382 CB GLU A 26 14.099 -1.977 -2.009 1.00 0.00 C ATOM 383 CG GLU A 26 15.264 -2.615 -1.235 1.00 0.00 C ATOM 384 CD GLU A 26 16.594 -2.287 -1.920 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.956 -1.124 -1.941 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.234 -3.211 -2.394 1.00 0.00 O ATOM 0 H GLU A 26 13.271 -4.342 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 26 12.822 -1.924 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.085 -2.342 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.227 -0.896 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.274 -2.247 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.129 -3.695 -1.185 1.00 0.00 H new ATOM 393 N ILE A 27 11.162 -0.519 -1.675 1.00 0.00 N ATOM 394 CA ILE A 27 9.995 0.123 -2.366 1.00 0.00 C ATOM 395 C ILE A 27 10.208 1.624 -2.532 1.00 0.00 C ATOM 396 O ILE A 27 10.903 2.269 -1.753 1.00 0.00 O ATOM 397 CB ILE A 27 8.711 -0.101 -1.550 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.715 0.723 -0.240 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.599 -1.572 -1.196 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.370 0.568 0.494 1.00 0.00 C ATOM 0 H ILE A 27 11.566 0.026 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 27 9.903 -0.335 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 27 7.866 0.222 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.529 0.390 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.895 1.774 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.691 -1.739 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.561 -2.164 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.465 -1.871 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.388 1.153 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.563 0.923 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.206 -0.482 0.735 1.00 0.00 H new ATOM 412 N LYS A 28 9.562 2.198 -3.505 1.00 0.00 N ATOM 413 CA LYS A 28 9.669 3.659 -3.698 1.00 0.00 C ATOM 414 C LYS A 28 8.376 4.178 -4.325 1.00 0.00 C ATOM 415 O LYS A 28 7.722 3.493 -5.092 1.00 0.00 O ATOM 416 CB LYS A 28 10.864 3.972 -4.601 1.00 0.00 C ATOM 417 CG LYS A 28 10.691 3.251 -5.938 1.00 0.00 C ATOM 418 CD LYS A 28 11.961 3.411 -6.780 1.00 0.00 C ATOM 419 CE LYS A 28 11.741 2.807 -8.166 1.00 0.00 C ATOM 420 NZ LYS A 28 12.907 3.131 -9.035 1.00 0.00 N ATOM 0 H LYS A 28 8.964 1.713 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 28 9.821 4.150 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.941 5.047 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.790 3.655 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.487 2.194 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.834 3.659 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.219 4.466 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.800 2.919 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.619 1.727 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.825 3.201 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.760 2.721 -9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.003 4.163 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.773 2.735 -8.616 1.00 0.00 H new ATOM 434 N TYR A 29 8.014 5.385 -3.989 1.00 0.00 N ATOM 435 CA TYR A 29 6.771 6.001 -4.533 1.00 0.00 C ATOM 436 C TYR A 29 6.958 6.330 -6.025 1.00 0.00 C ATOM 437 O TYR A 29 8.026 6.708 -6.454 1.00 0.00 O ATOM 438 CB TYR A 29 6.483 7.279 -3.740 1.00 0.00 C ATOM 439 CG TYR A 29 5.124 7.829 -4.104 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.964 8.602 -5.258 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.024 7.573 -3.274 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.701 9.111 -5.586 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.762 8.083 -3.603 1.00 0.00 C ATOM 444 CZ TYR A 29 2.602 8.851 -4.759 1.00 0.00 C ATOM 445 OH TYR A 29 1.361 9.355 -5.089 1.00 0.00 O ATOM 0 H TYR A 29 8.537 5.982 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 29 5.934 5.309 -4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.523 7.068 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.251 8.024 -3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.812 8.806 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.150 6.981 -2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.575 9.705 -6.479 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.914 7.883 -2.964 1.00 0.00 H new ATOM 0 HH TYR A 29 0.672 8.898 -4.563 1.00 0.00 H new ATOM 455 N THR A 30 5.919 6.187 -6.818 1.00 0.00 N ATOM 456 CA THR A 30 6.036 6.492 -8.276 1.00 0.00 C ATOM 457 C THR A 30 5.825 7.989 -8.515 1.00 0.00 C ATOM 458 O THR A 30 4.876 8.569 -8.033 1.00 0.00 O ATOM 459 CB THR A 30 4.971 5.717 -9.047 1.00 0.00 C ATOM 460 OG1 THR A 30 3.723 5.864 -8.391 1.00 0.00 O ATOM 461 CG2 THR A 30 5.354 4.241 -9.104 1.00 0.00 C ATOM 0 H THR A 30 4.997 5.872 -6.515 1.00 0.00 H new ATOM 0 HA THR A 30 7.030 6.203 -8.618 1.00 0.00 H new ATOM 0 HB THR A 30 4.896 6.105 -10.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.705 5.298 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.593 3.689 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.315 4.134 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.428 3.845 -8.091 1.00 0.00 H new ATOM 469 N GLY A 31 6.687 8.618 -9.274 1.00 0.00 N ATOM 470 CA GLY A 31 6.517 10.083 -9.553 1.00 0.00 C ATOM 471 C GLY A 31 7.798 10.639 -10.192 1.00 0.00 C ATOM 472 O GLY A 31 8.845 10.026 -10.134 1.00 0.00 O ATOM 0 H GLY A 31 7.500 8.185 -9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.669 10.240 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.299 10.617 -8.628 1.00 0.00 H new ATOM 476 N PHE A 32 7.720 11.790 -10.815 1.00 0.00 N ATOM 477 CA PHE A 32 8.929 12.369 -11.475 1.00 0.00 C ATOM 478 C PHE A 32 9.815 13.086 -10.447 1.00 0.00 C ATOM 479 O PHE A 32 9.676 14.271 -10.203 1.00 0.00 O ATOM 480 CB PHE A 32 8.476 13.349 -12.560 1.00 0.00 C ATOM 481 CG PHE A 32 7.656 12.596 -13.590 1.00 0.00 C ATOM 482 CD1 PHE A 32 8.292 11.823 -14.572 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.259 12.670 -13.561 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.529 11.128 -15.518 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.502 11.973 -14.510 1.00 0.00 C ATOM 486 CZ PHE A 32 6.136 11.205 -15.486 1.00 0.00 C ATOM 0 H PHE A 32 6.872 12.352 -10.894 1.00 0.00 H new ATOM 0 HA PHE A 32 9.517 11.568 -11.923 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.884 14.151 -12.120 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.341 13.814 -13.033 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.370 11.764 -14.599 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.765 13.265 -12.807 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.019 10.532 -16.273 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.424 12.030 -14.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.549 10.670 -16.217 1.00 0.00 H new ATOM 496 N ARG A 33 10.726 12.363 -9.855 1.00 0.00 N ATOM 497 CA ARG A 33 11.659 12.936 -8.838 1.00 0.00 C ATOM 498 C ARG A 33 12.561 14.035 -9.429 1.00 0.00 C ATOM 499 O ARG A 33 13.459 14.521 -8.768 1.00 0.00 O ATOM 500 CB ARG A 33 12.519 11.798 -8.289 1.00 0.00 C ATOM 501 CG ARG A 33 11.600 10.773 -7.613 1.00 0.00 C ATOM 502 CD ARG A 33 12.436 9.736 -6.859 1.00 0.00 C ATOM 503 NE ARG A 33 13.426 9.137 -7.805 1.00 0.00 N ATOM 504 CZ ARG A 33 13.054 8.533 -8.900 1.00 0.00 C ATOM 505 NH1 ARG A 33 11.801 8.198 -9.084 1.00 0.00 N ATOM 506 NH2 ARG A 33 13.959 8.218 -9.792 1.00 0.00 N ATOM 0 H ARG A 33 10.867 11.370 -10.039 1.00 0.00 H new ATOM 0 HA ARG A 33 11.071 13.401 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.083 11.327 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.246 12.184 -7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.924 11.278 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.981 10.278 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.951 10.204 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.792 8.960 -6.445 1.00 0.00 H new ATOM 0 HE ARG A 33 14.421 9.202 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.106 8.409 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.520 7.726 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.939 8.445 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.684 7.746 -10.653 1.00 0.00 H new ATOM 520 N ASP A 34 12.365 14.420 -10.659 1.00 0.00 N ATOM 521 CA ASP A 34 13.258 15.455 -11.251 1.00 0.00 C ATOM 522 C ASP A 34 12.905 16.847 -10.701 1.00 0.00 C ATOM 523 O ASP A 34 13.550 17.820 -11.025 1.00 0.00 O ATOM 524 CB ASP A 34 13.083 15.461 -12.775 1.00 0.00 C ATOM 525 CG ASP A 34 11.668 15.929 -13.128 1.00 0.00 C ATOM 526 OD1 ASP A 34 10.903 16.194 -12.213 1.00 0.00 O ATOM 527 OD2 ASP A 34 11.368 16.011 -14.307 1.00 0.00 O ATOM 0 H ASP A 34 11.633 14.067 -11.275 1.00 0.00 H new ATOM 0 HA ASP A 34 14.290 15.220 -10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.820 16.121 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.257 14.462 -13.175 1.00 0.00 H new ATOM 532 N ARG A 35 11.905 16.951 -9.856 1.00 0.00 N ATOM 533 CA ARG A 35 11.552 18.285 -9.277 1.00 0.00 C ATOM 534 C ARG A 35 12.392 18.494 -8.007 1.00 0.00 C ATOM 535 O ARG A 35 12.734 17.538 -7.339 1.00 0.00 O ATOM 536 CB ARG A 35 10.055 18.337 -8.921 1.00 0.00 C ATOM 537 CG ARG A 35 9.206 18.476 -10.202 1.00 0.00 C ATOM 538 CD ARG A 35 9.401 19.864 -10.836 1.00 0.00 C ATOM 539 NE ARG A 35 8.156 20.251 -11.563 1.00 0.00 N ATOM 540 CZ ARG A 35 8.008 21.473 -11.992 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.930 22.362 -11.765 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.935 21.821 -12.633 1.00 0.00 N ATOM 0 H ARG A 35 11.322 16.174 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 35 11.758 19.069 -10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.770 17.432 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.861 19.178 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.487 17.702 -10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.153 18.324 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.630 20.600 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.247 19.848 -11.523 1.00 0.00 H new ATOM 0 HE ARG A 35 7.423 19.561 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.772 22.104 -11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.811 23.317 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.199 21.136 -12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.828 22.779 -12.965 1.00 0.00 H new ATOM 556 N PRO A 36 12.732 19.720 -7.661 1.00 0.00 N ATOM 557 CA PRO A 36 13.537 20.003 -6.436 1.00 0.00 C ATOM 558 C PRO A 36 13.097 19.153 -5.237 1.00 0.00 C ATOM 559 O PRO A 36 12.127 18.421 -5.301 1.00 0.00 O ATOM 560 CB PRO A 36 13.276 21.488 -6.163 1.00 0.00 C ATOM 561 CG PRO A 36 12.976 22.089 -7.503 1.00 0.00 C ATOM 562 CD PRO A 36 12.409 20.959 -8.389 1.00 0.00 C ATOM 0 HA PRO A 36 14.590 19.765 -6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.440 21.621 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.144 21.962 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.257 22.902 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.878 22.511 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.334 21.067 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.863 20.966 -9.380 1.00 0.00 H new ATOM 570 N HIS A 37 13.788 19.257 -4.139 1.00 0.00 N ATOM 571 CA HIS A 37 13.398 18.457 -2.949 1.00 0.00 C ATOM 572 C HIS A 37 11.956 18.787 -2.583 1.00 0.00 C ATOM 573 O HIS A 37 11.346 18.122 -1.775 1.00 0.00 O ATOM 574 CB HIS A 37 14.334 18.772 -1.772 1.00 0.00 C ATOM 575 CG HIS A 37 15.741 18.392 -2.146 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.144 17.069 -2.279 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.855 19.152 -2.411 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.453 17.075 -2.607 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.935 18.319 -2.698 1.00 0.00 N ATOM 0 H HIS A 37 14.602 19.859 -4.014 1.00 0.00 H new ATOM 0 HA HIS A 37 13.481 17.394 -3.176 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.284 19.833 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.020 18.223 -0.884 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.888 20.231 -2.399 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.040 16.184 -2.775 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.889 18.598 -2.928 1.00 0.00 H new ATOM 587 N GLU A 38 11.406 19.804 -3.184 1.00 0.00 N ATOM 588 CA GLU A 38 10.002 20.180 -2.887 1.00 0.00 C ATOM 589 C GLU A 38 9.069 19.016 -3.201 1.00 0.00 C ATOM 590 O GLU A 38 7.922 19.014 -2.802 1.00 0.00 O ATOM 591 CB GLU A 38 9.605 21.383 -3.750 1.00 0.00 C ATOM 592 CG GLU A 38 9.494 20.949 -5.216 1.00 0.00 C ATOM 593 CD GLU A 38 9.422 22.181 -6.116 1.00 0.00 C ATOM 594 OE1 GLU A 38 10.158 23.120 -5.869 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.634 22.159 -7.050 1.00 0.00 O ATOM 0 H GLU A 38 11.874 20.393 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 38 9.920 20.433 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.654 21.791 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.346 22.176 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.353 20.337 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.606 20.332 -5.356 1.00 0.00 H new ATOM 602 N GLU A 39 9.520 18.046 -3.944 1.00 0.00 N ATOM 603 CA GLU A 39 8.608 16.931 -4.293 1.00 0.00 C ATOM 604 C GLU A 39 8.340 16.097 -3.051 1.00 0.00 C ATOM 605 O GLU A 39 7.292 15.499 -2.910 1.00 0.00 O ATOM 606 CB GLU A 39 9.231 16.075 -5.421 1.00 0.00 C ATOM 607 CG GLU A 39 10.262 15.060 -4.887 1.00 0.00 C ATOM 608 CD GLU A 39 11.476 15.799 -4.336 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.460 16.125 -3.161 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.402 16.024 -5.098 1.00 0.00 O ATOM 0 H GLU A 39 10.466 17.979 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 39 7.659 17.325 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.440 15.542 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.712 16.730 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.812 14.448 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.568 14.384 -5.685 1.00 0.00 H new ATOM 617 N ARG A 40 9.266 16.037 -2.147 1.00 0.00 N ATOM 618 CA ARG A 40 9.008 15.207 -0.947 1.00 0.00 C ATOM 619 C ARG A 40 7.754 15.716 -0.225 1.00 0.00 C ATOM 620 O ARG A 40 6.857 14.954 0.065 1.00 0.00 O ATOM 621 CB ARG A 40 10.227 15.262 -0.007 1.00 0.00 C ATOM 622 CG ARG A 40 10.276 16.586 0.753 1.00 0.00 C ATOM 623 CD ARG A 40 11.618 16.696 1.470 1.00 0.00 C ATOM 624 NE ARG A 40 11.577 17.864 2.380 1.00 0.00 N ATOM 625 CZ ARG A 40 12.494 18.016 3.297 1.00 0.00 C ATOM 626 NH1 ARG A 40 13.479 17.163 3.400 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.430 19.035 4.106 1.00 0.00 N ATOM 0 H ARG A 40 10.168 16.512 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 40 8.843 14.173 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.182 14.434 0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.142 15.137 -0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.147 17.421 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.459 16.638 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.821 15.785 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.425 16.809 0.746 1.00 0.00 H new ATOM 0 HE ARG A 40 10.830 18.552 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.536 16.370 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.191 17.290 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.667 19.707 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.142 19.161 4.825 1.00 0.00 H new ATOM 641 N GLN A 41 7.666 16.995 0.053 1.00 0.00 N ATOM 642 CA GLN A 41 6.458 17.522 0.759 1.00 0.00 C ATOM 643 C GLN A 41 5.233 17.577 -0.169 1.00 0.00 C ATOM 644 O GLN A 41 4.181 17.101 0.181 1.00 0.00 O ATOM 645 CB GLN A 41 6.776 18.909 1.323 1.00 0.00 C ATOM 646 CG GLN A 41 7.038 19.880 0.169 1.00 0.00 C ATOM 647 CD GLN A 41 7.615 21.198 0.686 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.481 21.211 1.537 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.170 22.322 0.183 1.00 0.00 N ATOM 0 H GLN A 41 8.374 17.692 -0.177 1.00 0.00 H new ATOM 0 HA GLN A 41 6.206 16.843 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.945 19.266 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.648 18.857 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.731 19.429 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.109 20.071 -0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.442 22.308 -0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.551 23.211 0.506 1.00 0.00 H new ATOM 658 N THR A 42 5.351 18.153 -1.335 1.00 0.00 N ATOM 659 CA THR A 42 4.159 18.256 -2.234 1.00 0.00 C ATOM 660 C THR A 42 3.619 16.871 -2.564 1.00 0.00 C ATOM 661 O THR A 42 2.426 16.669 -2.627 1.00 0.00 O ATOM 662 CB THR A 42 4.546 18.955 -3.531 1.00 0.00 C ATOM 663 OG1 THR A 42 5.220 20.171 -3.233 1.00 0.00 O ATOM 664 CG2 THR A 42 3.276 19.243 -4.324 1.00 0.00 C ATOM 0 H THR A 42 6.213 18.555 -1.704 1.00 0.00 H new ATOM 0 HA THR A 42 3.390 18.830 -1.717 1.00 0.00 H new ATOM 0 HB THR A 42 5.211 18.321 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.174 19.992 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.535 19.744 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.765 18.306 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.619 19.885 -3.738 1.00 0.00 H new ATOM 672 N ARG A 43 4.457 15.916 -2.794 1.00 0.00 N ATOM 673 CA ARG A 43 3.917 14.573 -3.106 1.00 0.00 C ATOM 674 C ARG A 43 3.059 14.073 -1.946 1.00 0.00 C ATOM 675 O ARG A 43 2.020 13.491 -2.156 1.00 0.00 O ATOM 676 CB ARG A 43 5.077 13.594 -3.354 1.00 0.00 C ATOM 677 CG ARG A 43 5.808 13.930 -4.657 1.00 0.00 C ATOM 678 CD ARG A 43 5.015 13.425 -5.872 1.00 0.00 C ATOM 679 NE ARG A 43 5.828 13.660 -7.093 1.00 0.00 N ATOM 680 CZ ARG A 43 5.498 13.102 -8.226 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.428 12.355 -8.304 1.00 0.00 N ATOM 682 NH2 ARG A 43 6.237 13.294 -9.281 1.00 0.00 N ATOM 0 H ARG A 43 5.474 15.999 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 43 3.300 14.636 -4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.777 13.634 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.694 12.575 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.950 15.008 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.800 13.477 -4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.791 12.364 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.061 13.947 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 43 6.650 14.262 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.848 12.207 -7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.173 11.920 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.071 13.879 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.982 12.860 -10.168 1.00 0.00 H new ATOM 696 N PHE A 44 3.468 14.271 -0.718 1.00 0.00 N ATOM 697 CA PHE A 44 2.629 13.748 0.392 1.00 0.00 C ATOM 698 C PHE A 44 1.242 14.402 0.438 1.00 0.00 C ATOM 699 O PHE A 44 0.246 13.708 0.532 1.00 0.00 O ATOM 700 CB PHE A 44 3.328 13.937 1.746 1.00 0.00 C ATOM 701 CG PHE A 44 4.552 13.047 1.821 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.432 11.654 1.684 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.806 13.616 2.013 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.572 10.844 1.740 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.943 12.813 2.063 1.00 0.00 C ATOM 706 CZ PHE A 44 6.828 11.425 1.925 1.00 0.00 C ATOM 0 H PHE A 44 4.322 14.758 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 44 2.493 12.684 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.617 14.980 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.641 13.695 2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.460 11.208 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.899 14.686 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.480 9.773 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.914 13.262 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.711 10.804 1.962 1.00 0.00 H new ATOM 716 N GLN A 45 1.140 15.708 0.401 1.00 0.00 N ATOM 717 CA GLN A 45 -0.228 16.322 0.489 1.00 0.00 C ATOM 718 C GLN A 45 -1.053 16.023 -0.755 1.00 0.00 C ATOM 719 O GLN A 45 -2.173 15.585 -0.659 1.00 0.00 O ATOM 720 CB GLN A 45 -0.145 17.857 0.661 1.00 0.00 C ATOM 721 CG GLN A 45 1.046 18.430 -0.130 1.00 0.00 C ATOM 722 CD GLN A 45 2.240 18.634 0.807 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.070 19.492 0.575 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.373 17.855 1.851 1.00 0.00 N ATOM 0 H GLN A 45 1.918 16.362 0.316 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.710 15.880 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.071 18.317 0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.039 18.104 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.318 17.751 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.767 19.378 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.675 17.136 2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.174 17.967 2.472 1.00 0.00 H new ATOM 733 N ASN A 46 -0.531 16.293 -1.909 1.00 0.00 N ATOM 734 CA ASN A 46 -1.326 16.045 -3.135 1.00 0.00 C ATOM 735 C ASN A 46 -1.626 14.562 -3.278 1.00 0.00 C ATOM 736 O ASN A 46 -2.635 14.175 -3.826 1.00 0.00 O ATOM 737 CB ASN A 46 -0.570 16.551 -4.365 1.00 0.00 C ATOM 738 CG ASN A 46 0.664 15.674 -4.599 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.002 14.868 -3.766 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.356 15.802 -5.696 1.00 0.00 N ATOM 0 H ASN A 46 0.404 16.672 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.269 16.586 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.219 16.526 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.270 17.589 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.181 15.222 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.073 16.482 -6.401 1.00 0.00 H new ATOM 747 N ALA A 47 -0.755 13.718 -2.810 1.00 0.00 N ATOM 748 CA ALA A 47 -1.001 12.264 -2.961 1.00 0.00 C ATOM 749 C ALA A 47 -1.932 11.797 -1.857 1.00 0.00 C ATOM 750 O ALA A 47 -2.768 10.948 -2.068 1.00 0.00 O ATOM 751 CB ALA A 47 0.323 11.504 -2.862 1.00 0.00 C ATOM 0 H ALA A 47 0.110 13.971 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.455 12.072 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.138 10.436 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.995 11.840 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.780 11.694 -1.891 1.00 0.00 H new ATOM 757 N CYS A 48 -1.809 12.337 -0.687 1.00 0.00 N ATOM 758 CA CYS A 48 -2.713 11.889 0.397 1.00 0.00 C ATOM 759 C CYS A 48 -4.170 12.210 0.021 1.00 0.00 C ATOM 760 O CYS A 48 -5.066 11.445 0.316 1.00 0.00 O ATOM 761 CB CYS A 48 -2.339 12.582 1.700 1.00 0.00 C ATOM 762 SG CYS A 48 -2.845 14.312 1.623 1.00 0.00 S ATOM 0 H CYS A 48 -1.133 13.058 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.612 10.812 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.824 12.086 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.264 12.513 1.866 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.664 14.764 0.417 1.00 0.00 H new ATOM 768 N ARG A 49 -4.431 13.321 -0.637 1.00 0.00 N ATOM 769 CA ARG A 49 -5.849 13.623 -1.007 1.00 0.00 C ATOM 770 C ARG A 49 -6.326 12.549 -1.989 1.00 0.00 C ATOM 771 O ARG A 49 -7.413 12.018 -1.867 1.00 0.00 O ATOM 772 CB ARG A 49 -5.959 15.025 -1.618 1.00 0.00 C ATOM 773 CG ARG A 49 -4.832 15.248 -2.618 1.00 0.00 C ATOM 774 CD ARG A 49 -5.012 16.604 -3.297 1.00 0.00 C ATOM 775 NE ARG A 49 -4.611 17.681 -2.343 1.00 0.00 N ATOM 776 CZ ARG A 49 -4.424 18.894 -2.775 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.493 19.132 -4.050 1.00 0.00 N ATOM 778 NH2 ARG A 49 -4.162 19.865 -1.939 1.00 0.00 N ATOM 0 H ARG A 49 -3.740 14.013 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.481 13.610 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.923 15.140 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.912 15.778 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.868 15.209 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.831 14.453 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.405 16.656 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.050 16.738 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.484 17.466 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.692 18.372 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.348 20.079 -4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.103 19.675 -0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.017 20.813 -2.287 1.00 0.00 H new ATOM 792 N ASP A 50 -5.478 12.164 -2.905 1.00 0.00 N ATOM 793 CA ASP A 50 -5.815 11.051 -3.840 1.00 0.00 C ATOM 794 C ASP A 50 -5.049 9.849 -3.306 1.00 0.00 C ATOM 795 O ASP A 50 -3.942 9.563 -3.709 1.00 0.00 O ATOM 796 CB ASP A 50 -5.398 11.381 -5.284 1.00 0.00 C ATOM 797 CG ASP A 50 -3.950 11.867 -5.345 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.061 11.037 -5.274 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.761 13.057 -5.491 1.00 0.00 O ATOM 0 H ASP A 50 -4.556 12.578 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.889 10.868 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.514 10.496 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.059 12.147 -5.690 1.00 0.00 H new ATOM 804 N GLY A 51 -5.625 9.176 -2.356 1.00 0.00 N ATOM 805 CA GLY A 51 -4.942 8.015 -1.720 1.00 0.00 C ATOM 806 C GLY A 51 -4.743 6.899 -2.739 1.00 0.00 C ATOM 807 O GLY A 51 -4.341 5.802 -2.408 1.00 0.00 O ATOM 0 H GLY A 51 -6.553 9.382 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.978 8.326 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.534 7.650 -0.881 1.00 0.00 H new ATOM 811 N ARG A 52 -4.992 7.173 -3.985 1.00 0.00 N ATOM 812 CA ARG A 52 -4.790 6.133 -5.017 1.00 0.00 C ATOM 813 C ARG A 52 -3.317 6.204 -5.436 1.00 0.00 C ATOM 814 O ARG A 52 -2.985 6.565 -6.547 1.00 0.00 O ATOM 815 CB ARG A 52 -5.697 6.459 -6.204 1.00 0.00 C ATOM 816 CG ARG A 52 -7.144 6.624 -5.718 1.00 0.00 C ATOM 817 CD ARG A 52 -8.080 6.715 -6.924 1.00 0.00 C ATOM 818 NE ARG A 52 -7.670 7.865 -7.788 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.653 9.091 -7.344 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.192 9.403 -6.198 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.143 10.025 -8.084 1.00 0.00 N ATOM 0 H ARG A 52 -5.326 8.073 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.030 5.134 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.360 7.374 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.641 5.663 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.426 5.780 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.233 7.522 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.046 5.787 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.109 6.846 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.395 7.685 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.638 8.682 -5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.168 10.368 -5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.761 9.797 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.124 10.988 -7.748 1.00 0.00 H new ATOM 835 N SER A 53 -2.433 5.885 -4.512 1.00 0.00 N ATOM 836 CA SER A 53 -0.957 5.945 -4.790 1.00 0.00 C ATOM 837 C SER A 53 -0.488 4.725 -5.585 1.00 0.00 C ATOM 838 O SER A 53 -1.058 3.653 -5.501 1.00 0.00 O ATOM 839 CB SER A 53 -0.182 6.011 -3.467 1.00 0.00 C ATOM 840 OG SER A 53 1.191 5.746 -3.716 1.00 0.00 O ATOM 0 H SER A 53 -2.675 5.583 -3.568 1.00 0.00 H new ATOM 0 HA SER A 53 -0.765 6.839 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.298 6.995 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.583 5.284 -2.760 1.00 0.00 H new ATOM 0 HG SER A 53 1.601 6.524 -4.149 1.00 0.00 H new ATOM 846 N GLU A 54 0.587 4.873 -6.324 1.00 0.00 N ATOM 847 CA GLU A 54 1.150 3.730 -7.102 1.00 0.00 C ATOM 848 C GLU A 54 2.565 3.485 -6.592 1.00 0.00 C ATOM 849 O GLU A 54 3.281 4.415 -6.286 1.00 0.00 O ATOM 850 CB GLU A 54 1.167 4.092 -8.590 1.00 0.00 C ATOM 851 CG GLU A 54 -0.266 4.134 -9.113 1.00 0.00 C ATOM 852 CD GLU A 54 -0.269 4.476 -10.605 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.801 4.682 -11.154 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.350 4.523 -11.175 1.00 0.00 O ATOM 0 H GLU A 54 1.102 5.748 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 54 0.548 2.830 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.648 5.059 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.749 3.359 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.749 3.170 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.842 4.876 -8.560 1.00 0.00 H new ATOM 861 N ILE A 55 2.969 2.251 -6.458 1.00 0.00 N ATOM 862 CA ILE A 55 4.333 1.973 -5.917 1.00 0.00 C ATOM 863 C ILE A 55 4.889 0.691 -6.526 1.00 0.00 C ATOM 864 O ILE A 55 4.153 -0.138 -7.024 1.00 0.00 O ATOM 865 CB ILE A 55 4.229 1.845 -4.402 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.555 1.322 -3.811 1.00 0.00 C ATOM 867 CG2 ILE A 55 3.084 0.888 -4.051 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.704 1.721 -2.326 1.00 0.00 C ATOM 0 H ILE A 55 2.418 1.427 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 55 5.012 2.786 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 55 4.027 2.827 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.594 0.237 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.393 1.721 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.007 0.794 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.148 1.280 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.282 -0.091 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.648 1.338 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.690 2.807 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.879 1.300 -1.752 1.00 0.00 H new ATOM 880 N ALA A 56 6.191 0.519 -6.503 1.00 0.00 N ATOM 881 CA ALA A 56 6.781 -0.735 -7.108 1.00 0.00 C ATOM 882 C ALA A 56 7.989 -1.252 -6.324 1.00 0.00 C ATOM 883 O ALA A 56 8.644 -0.530 -5.593 1.00 0.00 O ATOM 884 CB ALA A 56 7.215 -0.451 -8.551 1.00 0.00 C ATOM 0 H ALA A 56 6.864 1.173 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 56 6.007 -1.502 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.640 -1.355 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.350 -0.138 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.963 0.342 -8.557 1.00 0.00 H new ATOM 890 N PHE A 57 8.301 -2.516 -6.523 1.00 0.00 N ATOM 891 CA PHE A 57 9.480 -3.125 -5.845 1.00 0.00 C ATOM 892 C PHE A 57 10.709 -2.897 -6.748 1.00 0.00 C ATOM 893 O PHE A 57 10.708 -3.255 -7.902 1.00 0.00 O ATOM 894 CB PHE A 57 9.263 -4.644 -5.680 1.00 0.00 C ATOM 895 CG PHE A 57 8.096 -4.950 -4.755 1.00 0.00 C ATOM 896 CD1 PHE A 57 8.187 -4.647 -3.394 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.938 -5.575 -5.254 1.00 0.00 C ATOM 898 CE1 PHE A 57 7.127 -4.957 -2.532 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.880 -5.891 -4.384 1.00 0.00 C ATOM 900 CZ PHE A 57 5.976 -5.577 -3.028 1.00 0.00 C ATOM 0 H PHE A 57 7.782 -3.149 -7.131 1.00 0.00 H new ATOM 0 HA PHE A 57 9.622 -2.675 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.081 -5.093 -6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.170 -5.100 -5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.076 -4.173 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.862 -5.812 -6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.199 -4.716 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.994 -6.376 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.160 -5.813 -2.361 1.00 0.00 H new ATOM 910 N VAL A 58 11.758 -2.305 -6.242 1.00 0.00 N ATOM 911 CA VAL A 58 12.961 -2.076 -7.097 1.00 0.00 C ATOM 912 C VAL A 58 13.493 -3.417 -7.591 1.00 0.00 C ATOM 913 O VAL A 58 13.909 -3.564 -8.729 1.00 0.00 O ATOM 914 CB VAL A 58 14.030 -1.377 -6.255 1.00 0.00 C ATOM 915 CG1 VAL A 58 15.331 -1.233 -7.055 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.507 0.001 -5.863 1.00 0.00 C ATOM 0 H VAL A 58 11.835 -1.972 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 58 12.701 -1.457 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 58 14.242 -1.968 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 58 16.082 -0.734 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.694 -2.220 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.143 -0.642 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.255 0.517 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.302 0.582 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.590 -0.109 -5.285 1.00 0.00 H new ATOM 926 N ALA A 59 13.489 -4.397 -6.732 1.00 0.00 N ATOM 927 CA ALA A 59 13.998 -5.740 -7.113 1.00 0.00 C ATOM 928 C ALA A 59 13.188 -6.327 -8.279 1.00 0.00 C ATOM 929 O ALA A 59 13.732 -6.996 -9.136 1.00 0.00 O ATOM 930 CB ALA A 59 13.917 -6.673 -5.899 1.00 0.00 C ATOM 0 H ALA A 59 13.151 -4.322 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 59 15.034 -5.643 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.289 -7.660 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.523 -6.269 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.881 -6.754 -5.571 1.00 0.00 H new ATOM 936 N THR A 60 11.889 -6.103 -8.317 1.00 0.00 N ATOM 937 CA THR A 60 11.035 -6.666 -9.427 1.00 0.00 C ATOM 938 C THR A 60 10.352 -5.525 -10.196 1.00 0.00 C ATOM 939 O THR A 60 9.971 -4.532 -9.623 1.00 0.00 O ATOM 940 CB THR A 60 9.963 -7.566 -8.816 1.00 0.00 C ATOM 941 OG1 THR A 60 10.579 -8.489 -7.933 1.00 0.00 O ATOM 942 CG2 THR A 60 9.243 -8.329 -9.921 1.00 0.00 C ATOM 0 H THR A 60 11.380 -5.553 -7.625 1.00 0.00 H new ATOM 0 HA THR A 60 11.663 -7.235 -10.113 1.00 0.00 H new ATOM 0 HB THR A 60 9.243 -6.956 -8.271 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.219 -8.367 -7.030 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.479 -8.970 -9.482 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.774 -7.622 -10.605 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.960 -8.941 -10.467 1.00 0.00 H new ATOM 950 N GLY A 61 10.185 -5.653 -11.492 1.00 0.00 N ATOM 951 CA GLY A 61 9.519 -4.557 -12.272 1.00 0.00 C ATOM 952 C GLY A 61 8.018 -4.552 -11.974 1.00 0.00 C ATOM 953 O GLY A 61 7.254 -3.786 -12.538 1.00 0.00 O ATOM 0 H GLY A 61 10.478 -6.461 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.955 -3.593 -12.009 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.687 -4.703 -13.339 1.00 0.00 H new ATOM 957 N THR A 62 7.594 -5.396 -11.084 1.00 0.00 N ATOM 958 CA THR A 62 6.148 -5.448 -10.726 1.00 0.00 C ATOM 959 C THR A 62 5.738 -4.132 -10.065 1.00 0.00 C ATOM 960 O THR A 62 6.521 -3.501 -9.377 1.00 0.00 O ATOM 961 CB THR A 62 5.906 -6.599 -9.736 1.00 0.00 C ATOM 962 OG1 THR A 62 6.174 -7.833 -10.375 1.00 0.00 O ATOM 963 CG2 THR A 62 4.451 -6.580 -9.253 1.00 0.00 C ATOM 0 H THR A 62 8.187 -6.058 -10.584 1.00 0.00 H new ATOM 0 HA THR A 62 5.560 -5.607 -11.630 1.00 0.00 H new ATOM 0 HB THR A 62 6.568 -6.477 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.022 -8.568 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.290 -7.399 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.245 -5.632 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.783 -6.696 -10.106 1.00 0.00 H new ATOM 971 N ASN A 63 4.506 -3.725 -10.255 1.00 0.00 N ATOM 972 CA ASN A 63 4.013 -2.467 -9.624 1.00 0.00 C ATOM 973 C ASN A 63 2.613 -2.718 -9.074 1.00 0.00 C ATOM 974 O ASN A 63 1.712 -3.120 -9.789 1.00 0.00 O ATOM 975 CB ASN A 63 3.964 -1.330 -10.652 1.00 0.00 C ATOM 976 CG ASN A 63 3.544 -0.029 -9.947 1.00 0.00 C ATOM 977 OD1 ASN A 63 4.353 0.855 -9.731 1.00 0.00 O ATOM 978 ND2 ASN A 63 2.304 0.125 -9.572 1.00 0.00 N ATOM 0 H ASN A 63 3.818 -4.217 -10.825 1.00 0.00 H new ATOM 0 HA ASN A 63 4.691 -2.175 -8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.940 -1.205 -11.121 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.258 -1.572 -11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.017 0.983 -9.101 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.622 -0.612 -9.750 1.00 0.00 H new ATOM 985 N LEU A 64 2.434 -2.494 -7.800 1.00 0.00 N ATOM 986 CA LEU A 64 1.106 -2.711 -7.156 1.00 0.00 C ATOM 987 C LEU A 64 0.509 -1.355 -6.781 1.00 0.00 C ATOM 988 O LEU A 64 1.176 -0.526 -6.189 1.00 0.00 O ATOM 989 CB LEU A 64 1.315 -3.547 -5.884 1.00 0.00 C ATOM 990 CG LEU A 64 2.110 -4.822 -6.216 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.224 -5.692 -4.959 1.00 0.00 C ATOM 992 CD2 LEU A 64 1.416 -5.602 -7.347 1.00 0.00 C ATOM 0 H LEU A 64 3.164 -2.164 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 64 0.431 -3.230 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.849 -2.960 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.351 -3.812 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 64 3.110 -4.547 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.787 -6.596 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.739 -5.135 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.227 -5.965 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.988 -6.502 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.410 -5.881 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.357 -4.976 -8.238 1.00 0.00 H new ATOM 1004 N SER A 65 -0.740 -1.127 -7.101 1.00 0.00 N ATOM 1005 CA SER A 65 -1.398 0.172 -6.747 1.00 0.00 C ATOM 1006 C SER A 65 -2.385 -0.081 -5.624 1.00 0.00 C ATOM 1007 O SER A 65 -2.943 -1.151 -5.532 1.00 0.00 O ATOM 1008 CB SER A 65 -2.163 0.699 -7.952 1.00 0.00 C ATOM 1009 OG SER A 65 -3.180 -0.230 -8.298 1.00 0.00 O ATOM 0 H SER A 65 -1.338 -1.789 -7.596 1.00 0.00 H new ATOM 0 HA SER A 65 -0.643 0.898 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.602 1.670 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.485 0.846 -8.793 1.00 0.00 H new ATOM 0 HG SER A 65 -3.678 0.104 -9.073 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.600 0.880 -4.763 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.554 0.674 -3.635 1.00 0.00 C ATOM 1017 C LEU A 66 -4.349 1.960 -3.343 1.00 0.00 C ATOM 1018 O LEU A 66 -3.960 3.063 -3.714 1.00 0.00 O ATOM 1019 CB LEU A 66 -2.768 0.234 -2.389 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.420 0.974 -2.276 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -0.404 0.478 -3.335 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.610 2.495 -2.392 1.00 0.00 C ATOM 0 H LEU A 66 -2.156 1.798 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.270 -0.101 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.364 0.425 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.591 -0.841 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.015 0.750 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.533 1.023 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.223 -0.588 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.806 0.649 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.642 2.990 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.058 2.733 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.265 2.842 -1.593 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.465 1.822 -2.662 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.305 3.015 -2.317 1.00 0.00 C ATOM 1036 C GLN A 67 -6.695 2.913 -0.838 1.00 0.00 C ATOM 1037 O GLN A 67 -7.508 2.091 -0.454 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.579 2.997 -3.170 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.215 2.788 -4.642 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.488 2.793 -5.486 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -8.615 2.028 -6.422 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -9.436 3.635 -5.199 1.00 0.00 N ATOM 0 H GLN A 67 -5.831 0.930 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.752 3.935 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.242 2.200 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.121 3.935 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.541 3.576 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.687 1.843 -4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.328 4.276 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.288 3.654 -5.760 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.107 3.726 0.000 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.435 3.663 1.463 1.00 0.00 C ATOM 1053 C PHE A 68 -7.600 4.613 1.812 1.00 0.00 C ATOM 1054 O PHE A 68 -8.713 4.184 2.044 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.183 4.023 2.282 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.310 4.967 1.495 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.471 4.448 0.517 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.324 6.346 1.753 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.636 5.301 -0.216 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.483 7.203 1.025 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.639 6.676 0.039 1.00 0.00 C ATOM 0 H PHE A 68 -5.416 4.430 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.750 2.649 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.475 4.485 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.626 3.119 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.463 3.386 0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.981 6.748 2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.989 4.896 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.487 8.264 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.991 7.331 -0.524 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.348 5.898 1.854 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.431 6.879 2.193 1.00 0.00 C ATOM 1073 C PHE A 69 -8.286 8.106 1.298 1.00 0.00 C ATOM 1074 O PHE A 69 -7.764 9.119 1.716 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.287 7.311 3.664 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.513 8.087 4.097 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.722 7.410 4.291 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.441 9.471 4.325 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.859 8.108 4.715 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.581 10.173 4.745 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.791 9.488 4.942 1.00 0.00 C ATOM 0 H PHE A 69 -6.435 6.314 1.668 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.407 6.417 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.158 6.434 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.395 7.926 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.778 6.346 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.508 9.995 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.790 7.582 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.528 11.238 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.669 10.026 5.269 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.741 8.021 0.074 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.648 9.151 -0.890 1.00 0.00 C ATOM 1093 C PRO A 70 -9.803 10.154 -0.752 1.00 0.00 C ATOM 1094 O PRO A 70 -10.918 9.793 -0.428 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.690 8.437 -2.246 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.559 7.238 -2.017 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.383 6.842 -0.538 1.00 0.00 C ATOM 0 HA PRO A 70 -7.756 9.757 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.102 9.083 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.691 8.146 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.602 7.468 -2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.269 6.418 -2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.341 6.620 -0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.763 5.951 -0.434 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.544 11.420 -0.984 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.632 12.435 -0.858 1.00 0.00 C ATOM 1107 C ALA A 71 -11.801 12.050 -1.764 1.00 0.00 C ATOM 1108 O ALA A 71 -12.941 11.999 -1.338 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.105 13.816 -1.279 1.00 0.00 C ATOM 0 H ALA A 71 -8.632 11.790 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.966 12.471 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.902 14.554 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.272 14.099 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.767 13.776 -2.315 1.00 0.00 H new ATOM 1115 N SER A 72 -11.532 11.757 -3.009 1.00 0.00 N ATOM 1116 CA SER A 72 -12.639 11.360 -3.935 1.00 0.00 C ATOM 1117 C SER A 72 -12.065 10.910 -5.276 1.00 0.00 C ATOM 1118 O SER A 72 -11.122 11.487 -5.784 1.00 0.00 O ATOM 1119 CB SER A 72 -13.569 12.549 -4.185 1.00 0.00 C ATOM 1120 OG SER A 72 -14.744 12.104 -4.870 1.00 0.00 O ATOM 0 H SER A 72 -10.601 11.774 -3.425 1.00 0.00 H new ATOM 0 HA SER A 72 -13.194 10.543 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.842 13.015 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.056 13.307 -4.777 1.00 0.00 H new ATOM 0 HG SER A 72 -15.339 12.866 -5.028 1.00 0.00 H new ATOM 1261 N PRO A 81 -7.377 16.801 2.403 1.00 0.00 N ATOM 1262 CA PRO A 81 -6.355 15.713 2.401 1.00 0.00 C ATOM 1263 C PRO A 81 -6.733 14.600 3.385 1.00 0.00 C ATOM 1264 O PRO A 81 -7.653 14.748 4.165 1.00 0.00 O ATOM 1265 CB PRO A 81 -5.104 16.448 2.854 1.00 0.00 C ATOM 1266 CG PRO A 81 -5.607 17.459 3.845 1.00 0.00 C ATOM 1267 CD PRO A 81 -7.024 17.849 3.384 1.00 0.00 C ATOM 0 HA PRO A 81 -6.244 15.215 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.386 15.767 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.600 16.929 2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.627 17.040 4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.954 18.331 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.725 17.868 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.039 18.841 2.932 1.00 0.00 H new ATOM 1275 N SER A 82 -6.034 13.493 3.369 1.00 0.00 N ATOM 1276 CA SER A 82 -6.373 12.397 4.327 1.00 0.00 C ATOM 1277 C SER A 82 -5.745 12.715 5.681 1.00 0.00 C ATOM 1278 O SER A 82 -4.539 12.753 5.826 1.00 0.00 O ATOM 1279 CB SER A 82 -5.814 11.063 3.809 1.00 0.00 C ATOM 1280 OG SER A 82 -5.891 10.092 4.848 1.00 0.00 O ATOM 0 H SER A 82 -5.252 13.302 2.742 1.00 0.00 H new ATOM 0 HA SER A 82 -7.456 12.318 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.381 10.730 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.780 11.188 3.487 1.00 0.00 H new ATOM 0 HG SER A 82 -5.537 9.237 4.524 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.558 12.945 6.673 1.00 0.00 N ATOM 1287 CA ARG A 83 -6.021 13.258 8.029 1.00 0.00 C ATOM 1288 C ARG A 83 -5.160 12.091 8.514 1.00 0.00 C ATOM 1289 O ARG A 83 -4.147 12.267 9.163 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.184 13.473 9.004 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.631 13.962 10.345 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.781 14.212 11.331 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.384 12.924 11.763 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.145 12.894 12.825 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.434 13.998 13.458 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -9.626 11.756 13.246 1.00 0.00 N ATOM 0 H ARG A 83 -7.576 12.930 6.604 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.417 14.164 7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.885 14.202 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.736 12.543 9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.944 13.222 10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.061 14.879 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.411 14.757 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.541 14.837 10.862 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.205 12.070 11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.066 14.889 13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.028 13.970 14.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.408 10.894 12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.220 11.729 14.075 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.570 10.894 8.198 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.813 9.688 8.631 1.00 0.00 C ATOM 1312 C GLU A 84 -3.377 9.748 8.105 1.00 0.00 C ATOM 1313 O GLU A 84 -2.468 9.225 8.701 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.514 8.456 8.075 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.945 8.410 8.619 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.633 7.159 8.080 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.164 6.073 8.386 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.602 7.301 7.353 1.00 0.00 O ATOM 0 H GLU A 84 -6.408 10.699 7.651 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.780 9.644 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.526 8.489 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.973 7.554 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.935 8.396 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.493 9.303 8.317 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.164 10.368 6.992 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.784 10.442 6.441 1.00 0.00 C ATOM 1327 C TYR A 85 -0.875 11.258 7.380 1.00 0.00 C ATOM 1328 O TYR A 85 0.254 10.895 7.630 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.880 11.050 5.016 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.922 12.207 4.789 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.453 12.020 4.948 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.414 13.455 4.373 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.341 13.074 4.696 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.528 14.510 4.123 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.849 14.319 4.282 1.00 0.00 C ATOM 1336 OH TYR A 85 1.720 15.355 4.033 1.00 0.00 O ATOM 0 H TYR A 85 -3.882 10.830 6.434 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.331 9.453 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.677 10.270 4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.900 11.393 4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.833 11.060 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.477 13.601 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.404 12.927 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.907 15.471 3.808 1.00 0.00 H new ATOM 0 HH TYR A 85 1.215 16.147 3.754 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.348 12.354 7.909 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.478 13.175 8.810 1.00 0.00 C ATOM 1348 C VAL A 86 -0.600 12.703 10.253 1.00 0.00 C ATOM 1349 O VAL A 86 0.009 13.259 11.150 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.860 14.659 8.699 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.264 15.530 9.281 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -1.049 15.024 7.221 1.00 0.00 C ATOM 0 H VAL A 86 -2.290 12.717 7.760 1.00 0.00 H new ATOM 0 HA VAL A 86 0.559 13.052 8.498 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.784 14.833 9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.012 16.581 9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.416 15.275 10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.186 15.353 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.320 16.076 7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.120 14.845 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.842 14.410 6.793 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.345 11.664 10.493 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.459 11.152 11.888 1.00 0.00 C ATOM 1364 C ASP A 87 -0.385 10.090 12.088 1.00 0.00 C ATOM 1365 O ASP A 87 -0.159 9.621 13.189 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.860 10.564 12.132 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.999 9.152 11.531 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.077 8.700 10.875 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.037 8.547 11.739 1.00 0.00 O ATOM 0 H ASP A 87 -1.877 11.149 9.792 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.317 11.964 12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.056 10.524 13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.612 11.221 11.695 1.00 0.00 H new ATOM 1374 N LEU A 88 0.308 9.738 11.025 1.00 0.00 N ATOM 1375 CA LEU A 88 1.413 8.739 11.128 1.00 0.00 C ATOM 1376 C LEU A 88 2.685 9.416 10.631 1.00 0.00 C ATOM 1377 O LEU A 88 3.769 8.874 10.699 1.00 0.00 O ATOM 1378 CB LEU A 88 1.111 7.465 10.305 1.00 0.00 C ATOM 1379 CG LEU A 88 0.456 7.807 8.951 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.507 8.287 7.943 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.227 6.561 8.364 1.00 0.00 C ATOM 0 H LEU A 88 0.150 10.106 10.087 1.00 0.00 H new ATOM 0 HA LEU A 88 1.526 8.416 12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.036 6.914 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.451 6.811 10.875 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.275 8.596 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.022 8.522 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.001 9.179 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.247 7.502 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.686 6.814 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.514 5.776 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.994 6.208 9.053 1.00 0.00 H new ATOM 1393 N GLU A 89 2.556 10.626 10.150 1.00 0.00 N ATOM 1394 CA GLU A 89 3.745 11.369 9.675 1.00 0.00 C ATOM 1395 C GLU A 89 4.421 11.965 10.901 1.00 0.00 C ATOM 1396 O GLU A 89 5.634 11.981 11.042 1.00 0.00 O ATOM 1397 CB GLU A 89 3.284 12.483 8.740 1.00 0.00 C ATOM 1398 CG GLU A 89 4.496 13.101 8.055 1.00 0.00 C ATOM 1399 CD GLU A 89 4.046 14.168 7.056 1.00 0.00 C ATOM 1400 OE1 GLU A 89 2.857 14.423 6.984 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.903 14.713 6.378 1.00 0.00 O ATOM 0 H GLU A 89 1.671 11.127 10.068 1.00 0.00 H new ATOM 0 HA GLU A 89 4.437 10.720 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.594 12.086 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.742 13.244 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.158 13.544 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.067 12.328 7.541 1.00 0.00 H new ATOM 1408 N ARG A 90 3.622 12.431 11.800 1.00 0.00 N ATOM 1409 CA ARG A 90 4.133 13.013 13.056 1.00 0.00 C ATOM 1410 C ARG A 90 4.755 11.917 13.926 1.00 0.00 C ATOM 1411 O ARG A 90 5.630 12.168 14.730 1.00 0.00 O ATOM 1412 CB ARG A 90 2.965 13.670 13.790 1.00 0.00 C ATOM 1413 CG ARG A 90 3.476 14.487 14.982 1.00 0.00 C ATOM 1414 CD ARG A 90 2.282 15.062 15.764 1.00 0.00 C ATOM 1415 NE ARG A 90 2.762 15.886 16.905 1.00 0.00 N ATOM 1416 CZ ARG A 90 1.958 16.741 17.483 1.00 0.00 C ATOM 1417 NH1 ARG A 90 0.718 16.862 17.093 1.00 0.00 N ATOM 1418 NH2 ARG A 90 2.407 17.479 18.457 1.00 0.00 N ATOM 0 H ARG A 90 2.606 12.433 11.715 1.00 0.00 H new ATOM 0 HA ARG A 90 4.902 13.755 12.841 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.415 14.317 13.106 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.269 12.906 14.136 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.082 13.858 15.634 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.118 15.296 14.633 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.664 15.669 15.103 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.654 14.250 16.131 1.00 0.00 H new ATOM 0 HE ARG A 90 3.721 15.784 17.238 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.365 16.286 16.329 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.102 17.533 17.553 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.376 17.387 18.762 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.790 18.149 18.915 1.00 0.00 H new ATOM 1432 N GLU A 91 4.272 10.712 13.814 1.00 0.00 N ATOM 1433 CA GLU A 91 4.797 9.619 14.681 1.00 0.00 C ATOM 1434 C GLU A 91 6.176 9.115 14.224 1.00 0.00 C ATOM 1435 O GLU A 91 7.200 9.677 14.567 1.00 0.00 O ATOM 1436 CB GLU A 91 3.791 8.468 14.657 1.00 0.00 C ATOM 1437 CG GLU A 91 4.224 7.379 15.643 1.00 0.00 C ATOM 1438 CD GLU A 91 3.222 6.226 15.612 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.849 5.816 14.522 1.00 0.00 O ATOM 1440 OE2 GLU A 91 2.849 5.762 16.677 1.00 0.00 O ATOM 0 H GLU A 91 3.538 10.436 13.162 1.00 0.00 H new ATOM 0 HA GLU A 91 4.925 10.011 15.690 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.799 8.835 14.919 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.722 8.054 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.219 7.016 15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.287 7.791 16.650 1.00 0.00 H new ATOM 1447 N ALA A 92 6.213 8.046 13.477 1.00 0.00 N ATOM 1448 CA ALA A 92 7.522 7.485 13.028 1.00 0.00 C ATOM 1449 C ALA A 92 8.340 8.572 12.360 1.00 0.00 C ATOM 1450 O ALA A 92 9.522 8.412 12.115 1.00 0.00 O ATOM 1451 CB ALA A 92 7.284 6.362 12.008 1.00 0.00 C ATOM 0 H ALA A 92 5.391 7.534 13.156 1.00 0.00 H new ATOM 0 HA ALA A 92 8.053 7.095 13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.242 5.956 11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.692 5.571 12.469 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.748 6.761 11.146 1.00 0.00 H new ATOM 1457 N GLY A 93 7.723 9.650 12.005 1.00 0.00 N ATOM 1458 CA GLY A 93 8.478 10.707 11.293 1.00 0.00 C ATOM 1459 C GLY A 93 8.585 10.242 9.852 1.00 0.00 C ATOM 1460 O GLY A 93 9.452 10.643 9.109 1.00 0.00 O ATOM 0 H GLY A 93 6.737 9.848 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.963 11.666 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.465 10.846 11.733 1.00 0.00 H new ATOM 1464 N LYS A 94 7.698 9.356 9.486 1.00 0.00 N ATOM 1465 CA LYS A 94 7.694 8.782 8.115 1.00 0.00 C ATOM 1466 C LYS A 94 6.255 8.709 7.626 1.00 0.00 C ATOM 1467 O LYS A 94 5.334 8.727 8.416 1.00 0.00 O ATOM 1468 CB LYS A 94 8.242 7.354 8.180 1.00 0.00 C ATOM 1469 CG LYS A 94 9.607 7.355 8.863 1.00 0.00 C ATOM 1470 CD LYS A 94 10.262 5.983 8.703 1.00 0.00 C ATOM 1471 CE LYS A 94 11.534 5.915 9.552 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.413 7.083 9.241 1.00 0.00 N ATOM 0 H LYS A 94 6.961 9.000 10.095 1.00 0.00 H new ATOM 0 HA LYS A 94 8.299 9.397 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.551 6.714 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.328 6.942 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.243 8.126 8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.496 7.595 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.568 5.200 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.503 5.805 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.276 5.914 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.066 4.985 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.336 6.955 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.546 7.153 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.969 7.955 9.593 1.00 0.00 H new ATOM 1486 N VAL A 95 6.047 8.586 6.337 1.00 0.00 N ATOM 1487 CA VAL A 95 4.649 8.459 5.815 1.00 0.00 C ATOM 1488 C VAL A 95 4.476 7.050 5.274 1.00 0.00 C ATOM 1489 O VAL A 95 5.208 6.629 4.395 1.00 0.00 O ATOM 1490 CB VAL A 95 4.400 9.460 4.682 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.957 9.307 4.174 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.604 10.881 5.207 1.00 0.00 C ATOM 0 H VAL A 95 6.780 8.568 5.627 1.00 0.00 H new ATOM 0 HA VAL A 95 3.942 8.663 6.619 1.00 0.00 H new ATOM 0 HB VAL A 95 5.097 9.268 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.778 10.018 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.807 8.293 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.261 9.501 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.427 11.595 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.905 11.072 6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.625 10.991 5.572 1.00 0.00 H new ATOM 1502 N TYR A 96 3.516 6.314 5.772 1.00 0.00 N ATOM 1503 CA TYR A 96 3.307 4.928 5.254 1.00 0.00 C ATOM 1504 C TYR A 96 1.825 4.620 5.124 1.00 0.00 C ATOM 1505 O TYR A 96 0.980 5.268 5.713 1.00 0.00 O ATOM 1506 CB TYR A 96 3.997 3.903 6.156 1.00 0.00 C ATOM 1507 CG TYR A 96 3.307 3.762 7.497 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.676 4.575 8.577 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.315 2.788 7.662 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.049 4.418 9.819 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.690 2.627 8.897 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.053 3.439 9.980 1.00 0.00 C ATOM 1513 OH TYR A 96 1.432 3.276 11.200 1.00 0.00 O ATOM 0 H TYR A 96 2.873 6.608 6.507 1.00 0.00 H new ATOM 0 HA TYR A 96 3.755 4.864 4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.015 2.935 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.034 4.200 6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.445 5.323 8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.033 2.160 6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.330 5.047 10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.924 1.875 9.020 1.00 0.00 H new ATOM 0 HH TYR A 96 0.769 2.557 11.136 1.00 0.00 H new ATOM 1523 N LEU A 97 1.515 3.644 4.313 1.00 0.00 N ATOM 1524 CA LEU A 97 0.094 3.260 4.060 1.00 0.00 C ATOM 1525 C LEU A 97 -0.046 1.734 4.191 1.00 0.00 C ATOM 1526 O LEU A 97 0.837 0.986 3.825 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.284 3.697 2.622 1.00 0.00 C ATOM 1528 CG LEU A 97 0.988 3.693 1.729 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.621 3.445 0.261 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.733 5.044 1.850 1.00 0.00 C ATOM 0 H LEU A 97 2.200 3.085 3.805 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.565 3.745 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.033 3.021 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.727 4.693 2.638 1.00 0.00 H new ATOM 0 HG LEU A 97 1.638 2.888 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.527 3.446 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.124 2.480 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.048 4.233 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.622 5.027 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.076 5.852 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.027 5.206 2.887 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.169 1.280 4.691 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.399 -0.190 4.840 1.00 0.00 C ATOM 1544 C LYS A 98 -2.819 -0.505 4.385 1.00 0.00 C ATOM 1545 O LYS A 98 -3.745 0.213 4.702 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.229 -0.588 6.315 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.180 0.251 7.219 1.00 0.00 C ATOM 1548 CD LYS A 98 -3.319 -0.624 7.777 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.803 -1.483 8.942 1.00 0.00 C ATOM 1550 NZ LYS A 98 -3.884 -2.400 9.406 1.00 0.00 N ATOM 0 H LYS A 98 -1.941 1.869 5.004 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.682 -0.746 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.443 -1.650 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.195 -0.433 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.615 0.688 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.598 1.078 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.140 0.007 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.715 -1.265 6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.934 -2.060 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.478 -0.843 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.532 -2.980 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.701 -1.841 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.174 -3.020 8.623 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.018 -1.570 3.642 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.409 -1.887 3.192 1.00 0.00 C ATOM 1566 C ALA A 99 -4.521 -3.370 2.774 1.00 0.00 C ATOM 1567 O ALA A 99 -3.669 -3.880 2.070 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.783 -0.993 2.002 1.00 0.00 C ATOM 0 H ALA A 99 -2.294 -2.219 3.334 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.092 -1.703 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.797 -1.226 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.730 0.053 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.088 -1.171 1.181 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.580 -4.052 3.149 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.792 -5.470 2.742 1.00 0.00 C ATOM 1576 C PRO A 100 -6.415 -5.528 1.347 1.00 0.00 C ATOM 1577 O PRO A 100 -7.592 -5.272 1.181 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.781 -5.981 3.789 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.621 -4.781 4.106 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.689 -3.570 3.997 1.00 0.00 C ATOM 0 HA PRO A 100 -4.873 -6.054 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.386 -6.801 3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.268 -6.355 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.456 -4.695 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.047 -4.856 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.195 -2.716 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.333 -3.250 4.976 1.00 0.00 H new ATOM 1588 N MET A 101 -5.637 -5.824 0.342 1.00 0.00 N ATOM 1589 CA MET A 101 -6.193 -5.856 -1.052 1.00 0.00 C ATOM 1590 C MET A 101 -6.503 -7.286 -1.502 1.00 0.00 C ATOM 1591 O MET A 101 -5.688 -8.169 -1.388 1.00 0.00 O ATOM 1592 CB MET A 101 -5.169 -5.258 -2.012 1.00 0.00 C ATOM 1593 CG MET A 101 -5.810 -5.095 -3.389 1.00 0.00 C ATOM 1594 SD MET A 101 -4.592 -4.436 -4.552 1.00 0.00 S ATOM 1595 CE MET A 101 -4.621 -2.702 -4.030 1.00 0.00 C ATOM 0 H MET A 101 -4.644 -6.045 0.419 1.00 0.00 H new ATOM 0 HA MET A 101 -7.119 -5.281 -1.058 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.825 -4.293 -1.641 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.294 -5.904 -2.079 1.00 0.00 H new ATOM 0 HG2 MET A 101 -6.183 -6.056 -3.743 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.667 -4.424 -3.325 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.907 -2.073 -4.873 1.00 0.00 H new ATOM 0 HE2 MET A 101 -5.342 -2.577 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.631 -2.411 -3.680 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.672 -7.522 -2.055 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.989 -8.897 -2.547 1.00 0.00 C ATOM 1607 C ILE A 102 -7.550 -9.045 -4.006 1.00 0.00 C ATOM 1608 O ILE A 102 -7.937 -8.286 -4.873 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.496 -9.212 -2.400 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.330 -7.958 -2.665 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.799 -9.729 -0.982 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.822 -8.297 -2.506 1.00 0.00 C ATOM 0 H ILE A 102 -8.410 -6.829 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.440 -9.613 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.755 -9.980 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -10.049 -7.167 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.135 -7.583 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.863 -9.946 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.226 -10.638 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.522 -8.970 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.420 -7.405 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -12.096 -9.075 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -12.009 -8.652 -1.492 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.762 -10.058 -4.267 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.290 -10.355 -5.648 1.00 0.00 C ATOM 1626 C LEU A 103 -7.164 -11.515 -6.123 1.00 0.00 C ATOM 1627 O LEU A 103 -8.032 -11.941 -5.393 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.813 -10.794 -5.603 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.892 -9.575 -5.493 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -4.007 -8.964 -4.094 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.440 -10.006 -5.735 1.00 0.00 C ATOM 0 H LEU A 103 -6.419 -10.707 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.361 -9.491 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.651 -11.457 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.569 -11.361 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.187 -8.836 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.350 -8.097 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.037 -8.655 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.716 -9.704 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.785 -9.138 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.151 -10.747 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.350 -10.439 -6.731 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.981 -12.030 -7.304 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.849 -13.165 -7.727 1.00 0.00 C ATOM 1645 C ASN A 104 -7.569 -14.362 -6.798 1.00 0.00 C ATOM 1646 O ASN A 104 -7.032 -15.367 -7.210 1.00 0.00 O ATOM 1647 CB ASN A 104 -7.508 -13.545 -9.174 1.00 0.00 C ATOM 1648 CG ASN A 104 -8.663 -14.339 -9.787 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.587 -15.544 -9.912 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -9.733 -13.707 -10.186 1.00 0.00 N ATOM 0 H ASN A 104 -6.284 -11.724 -7.983 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.901 -12.885 -7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.321 -12.646 -9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.594 -14.138 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.506 -14.226 -10.603 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.796 -12.694 -10.081 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.926 -14.244 -5.546 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.687 -15.340 -4.565 1.00 0.00 C ATOM 1659 C GLY A 105 -8.279 -14.917 -3.225 1.00 0.00 C ATOM 1660 O GLY A 105 -9.428 -15.178 -2.928 1.00 0.00 O ATOM 0 H GLY A 105 -8.381 -13.419 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.148 -16.266 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.619 -15.534 -4.465 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.491 -14.255 -2.414 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.987 -13.792 -1.077 1.00 0.00 C ATOM 1666 C VAL A 106 -7.263 -12.491 -0.690 1.00 0.00 C ATOM 1667 O VAL A 106 -6.459 -11.974 -1.440 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.748 -14.887 0.000 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.956 -14.964 0.949 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.588 -16.253 -0.672 1.00 0.00 C ATOM 0 H VAL A 106 -6.522 -14.014 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.059 -13.604 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.846 -14.630 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.780 -15.734 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.094 -14.001 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.851 -15.212 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.421 -17.015 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.492 -16.491 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.737 -16.226 -1.352 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.555 -11.948 0.458 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.893 -10.671 0.860 1.00 0.00 C ATOM 1682 C CYS A 107 -5.434 -10.895 1.254 1.00 0.00 C ATOM 1683 O CYS A 107 -5.066 -11.892 1.846 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.669 -10.034 2.015 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.127 -11.305 3.191 1.00 0.00 S ATOM 0 H CYS A 107 -8.218 -12.328 1.133 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.898 -9.997 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.059 -9.274 2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.561 -9.533 1.637 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.316 -11.058 3.656 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.618 -9.929 0.919 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.160 -9.960 1.230 1.00 0.00 C ATOM 1693 C VAL A 108 -2.859 -8.658 1.953 1.00 0.00 C ATOM 1694 O VAL A 108 -3.469 -7.650 1.667 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.348 -10.018 -0.076 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.481 -8.693 -0.848 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.868 -10.279 0.242 1.00 0.00 C ATOM 0 H VAL A 108 -4.917 -9.089 0.424 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.899 -10.830 1.832 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.737 -10.829 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.901 -8.749 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.529 -8.516 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.107 -7.874 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.298 -10.319 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.483 -9.475 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.771 -11.228 0.769 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.967 -8.643 2.897 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.717 -7.361 3.622 1.00 0.00 C ATOM 1709 C ILE A 109 -0.507 -6.637 3.026 1.00 0.00 C ATOM 1710 O ILE A 109 0.619 -7.102 3.080 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.479 -7.672 5.106 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.619 -6.378 5.919 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.077 -8.266 5.314 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.511 -6.691 7.412 1.00 0.00 C ATOM 0 H ILE A 109 -1.408 -9.441 3.198 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.583 -6.707 3.519 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.216 -8.402 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.843 -5.670 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.578 -5.905 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.074 -8.480 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.016 -9.188 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.674 -7.552 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.611 -5.769 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.303 -7.383 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.542 -7.144 7.620 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.741 -5.483 2.458 1.00 0.00 N ATOM 1727 CA TRP A 110 0.363 -4.679 1.848 1.00 0.00 C ATOM 1728 C TRP A 110 0.588 -3.431 2.718 1.00 0.00 C ATOM 1729 O TRP A 110 -0.320 -2.648 2.919 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.065 -4.260 0.432 1.00 0.00 C ATOM 1731 CG TRP A 110 1.110 -3.701 -0.311 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.860 -4.374 -1.219 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.686 -2.373 -0.217 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.864 -3.539 -1.681 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.800 -2.295 -1.094 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.356 -1.232 0.540 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.555 -1.134 -1.212 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.116 -0.060 0.419 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.212 -0.013 -0.450 1.00 0.00 C ATOM 0 H TRP A 110 -1.665 -5.056 2.389 1.00 0.00 H new ATOM 0 HA TRP A 110 1.285 -5.258 1.792 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.470 -5.118 -0.104 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.859 -3.515 0.488 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.700 -5.395 -1.531 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.564 -3.812 -2.371 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.514 -1.260 1.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.398 -1.098 -1.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.854 0.812 1.000 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.795 0.892 -0.532 1.00 0.00 H new ATOM 1750 N LYS A 111 1.779 -3.224 3.228 1.00 0.00 N ATOM 1751 CA LYS A 111 2.031 -2.010 4.072 1.00 0.00 C ATOM 1752 C LYS A 111 3.458 -1.497 3.877 1.00 0.00 C ATOM 1753 O LYS A 111 4.341 -1.689 4.689 1.00 0.00 O ATOM 1754 CB LYS A 111 1.739 -2.305 5.553 1.00 0.00 C ATOM 1755 CG LYS A 111 2.441 -3.589 6.001 1.00 0.00 C ATOM 1756 CD LYS A 111 1.961 -3.969 7.409 1.00 0.00 C ATOM 1757 CE LYS A 111 2.782 -5.153 7.930 1.00 0.00 C ATOM 1758 NZ LYS A 111 4.116 -4.667 8.365 1.00 0.00 N ATOM 0 H LYS A 111 2.583 -3.838 3.098 1.00 0.00 H new ATOM 0 HA LYS A 111 1.350 -1.222 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.073 -1.469 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.664 -2.402 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.226 -4.397 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.521 -3.445 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.065 -3.118 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.903 -4.230 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.266 -5.630 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.892 -5.906 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.856 -5.131 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.172 -3.637 8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.256 -4.892 9.371 1.00 0.00 H new ATOM 1772 N GLY A 112 3.650 -0.809 2.790 1.00 0.00 N ATOM 1773 CA GLY A 112 4.974 -0.210 2.472 1.00 0.00 C ATOM 1774 C GLY A 112 5.172 1.070 3.273 1.00 0.00 C ATOM 1775 O GLY A 112 4.220 1.752 3.590 1.00 0.00 O ATOM 0 H GLY A 112 2.928 -0.632 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.768 -0.920 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.038 0.005 1.405 1.00 0.00 H new ATOM 1779 N TRP A 113 6.392 1.427 3.570 1.00 0.00 N ATOM 1780 CA TRP A 113 6.634 2.698 4.312 1.00 0.00 C ATOM 1781 C TRP A 113 7.800 3.430 3.666 1.00 0.00 C ATOM 1782 O TRP A 113 8.599 2.848 2.960 1.00 0.00 O ATOM 1783 CB TRP A 113 6.911 2.423 5.799 1.00 0.00 C ATOM 1784 CG TRP A 113 7.904 1.325 5.971 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.592 0.055 6.319 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.345 1.376 5.845 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.761 -0.683 6.419 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.872 0.089 6.128 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.238 2.403 5.513 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.242 -0.158 6.085 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.612 2.156 5.464 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.115 0.882 5.748 1.00 0.00 C ATOM 0 H TRP A 113 7.229 0.896 3.332 1.00 0.00 H new ATOM 0 HA TRP A 113 5.742 3.323 4.261 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.283 3.330 6.276 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.981 2.157 6.301 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.595 -0.322 6.491 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.798 -1.670 6.675 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.862 3.391 5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.626 -1.142 6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.291 2.955 5.205 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.179 0.701 5.707 1.00 0.00 H new ATOM 1803 N ILE A 114 7.888 4.707 3.896 1.00 0.00 N ATOM 1804 CA ILE A 114 8.986 5.516 3.302 1.00 0.00 C ATOM 1805 C ILE A 114 9.210 6.717 4.202 1.00 0.00 C ATOM 1806 O ILE A 114 8.284 7.237 4.791 1.00 0.00 O ATOM 1807 CB ILE A 114 8.589 5.996 1.898 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.220 6.694 1.957 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.527 4.805 0.936 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.706 6.961 0.542 1.00 0.00 C ATOM 0 H ILE A 114 7.237 5.233 4.479 1.00 0.00 H new ATOM 0 HA ILE A 114 9.893 4.917 3.218 1.00 0.00 H new ATOM 0 HB ILE A 114 9.336 6.703 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.509 6.071 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.305 7.633 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.245 5.154 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.504 4.325 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.788 4.088 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.736 7.455 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.412 7.602 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.603 6.016 0.008 1.00 0.00 H new ATOM 1822 N ASP A 115 10.424 7.167 4.337 1.00 0.00 N ATOM 1823 CA ASP A 115 10.658 8.332 5.228 1.00 0.00 C ATOM 1824 C ASP A 115 10.187 9.599 4.527 1.00 0.00 C ATOM 1825 O ASP A 115 9.902 9.611 3.343 1.00 0.00 O ATOM 1826 CB ASP A 115 12.141 8.447 5.590 1.00 0.00 C ATOM 1827 CG ASP A 115 12.302 9.352 6.809 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.301 9.883 7.264 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.423 9.509 7.257 1.00 0.00 O ATOM 0 H ASP A 115 11.251 6.786 3.877 1.00 0.00 H new ATOM 0 HA ASP A 115 10.095 8.194 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.552 7.460 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.701 8.852 4.747 1.00 0.00 H new ATOM 1834 N LEU A 116 10.071 10.659 5.259 1.00 0.00 N ATOM 1835 CA LEU A 116 9.578 11.925 4.676 1.00 0.00 C ATOM 1836 C LEU A 116 10.573 12.468 3.641 1.00 0.00 C ATOM 1837 O LEU A 116 10.180 13.179 2.739 1.00 0.00 O ATOM 1838 CB LEU A 116 9.379 12.920 5.837 1.00 0.00 C ATOM 1839 CG LEU A 116 8.316 14.010 5.504 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.631 14.464 6.801 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.982 15.233 4.859 1.00 0.00 C ATOM 0 H LEU A 116 10.300 10.703 6.252 1.00 0.00 H new ATOM 0 HA LEU A 116 8.635 11.767 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.072 12.376 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.330 13.401 6.068 1.00 0.00 H new ATOM 0 HG LEU A 116 7.590 13.584 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.887 15.227 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.143 13.611 7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.376 14.877 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.224 15.983 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.715 15.653 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.480 14.932 3.937 1.00 0.00 H new ATOM 1853 N HIS A 117 11.855 12.158 3.731 1.00 0.00 N ATOM 1854 CA HIS A 117 12.816 12.712 2.709 1.00 0.00 C ATOM 1855 C HIS A 117 13.157 11.678 1.625 1.00 0.00 C ATOM 1856 O HIS A 117 13.043 11.964 0.450 1.00 0.00 O ATOM 1857 CB HIS A 117 14.099 13.189 3.403 1.00 0.00 C ATOM 1858 CG HIS A 117 14.897 12.019 3.890 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.182 11.766 3.439 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.614 11.036 4.801 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.627 10.669 4.076 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.710 10.182 4.919 1.00 0.00 N ATOM 0 H HIS A 117 12.268 11.562 4.448 1.00 0.00 H new ATOM 0 HA HIS A 117 12.330 13.555 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.696 13.781 2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.846 13.839 4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.686 10.938 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.604 10.235 3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.794 9.362 5.519 1.00 0.00 H new ATOM 1870 N ARG A 118 13.579 10.491 1.982 1.00 0.00 N ATOM 1871 CA ARG A 118 13.927 9.476 0.927 1.00 0.00 C ATOM 1872 C ARG A 118 12.733 8.574 0.606 1.00 0.00 C ATOM 1873 O ARG A 118 12.217 7.871 1.449 1.00 0.00 O ATOM 1874 CB ARG A 118 15.107 8.617 1.402 1.00 0.00 C ATOM 1875 CG ARG A 118 14.817 8.037 2.790 1.00 0.00 C ATOM 1876 CD ARG A 118 16.083 7.397 3.368 1.00 0.00 C ATOM 1877 NE ARG A 118 16.382 6.137 2.631 1.00 0.00 N ATOM 1878 CZ ARG A 118 17.554 5.568 2.743 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.452 6.061 3.546 1.00 0.00 N ATOM 1880 NH2 ARG A 118 17.823 4.497 2.056 1.00 0.00 N ATOM 0 H ARG A 118 13.698 10.178 2.945 1.00 0.00 H new ATOM 0 HA ARG A 118 14.202 10.014 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.286 7.809 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 118 16.015 9.220 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.462 8.824 3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.022 7.294 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.923 8.087 3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.946 7.187 4.429 1.00 0.00 H new ATOM 0 HE ARG A 118 15.669 5.716 2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.244 6.896 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 118 19.364 5.612 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 118 17.120 4.102 1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 118 18.737 4.052 2.142 1.00 0.00 H new ATOM 1894 N LEU A 119 12.308 8.592 -0.629 1.00 0.00 N ATOM 1895 CA LEU A 119 11.170 7.736 -1.065 1.00 0.00 C ATOM 1896 C LEU A 119 11.683 6.369 -1.513 1.00 0.00 C ATOM 1897 O LEU A 119 11.234 5.838 -2.504 1.00 0.00 O ATOM 1898 CB LEU A 119 10.420 8.395 -2.226 1.00 0.00 C ATOM 1899 CG LEU A 119 10.077 9.858 -1.899 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.986 10.333 -2.856 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.561 9.984 -0.461 1.00 0.00 C ATOM 0 H LEU A 119 12.709 9.174 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 119 10.491 7.614 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.030 8.353 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.505 7.841 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 119 10.976 10.464 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.734 11.370 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.345 10.258 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.100 9.710 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.324 11.027 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.664 9.377 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.328 9.638 0.232 1.00 0.00 H new ATOM 1913 N ASP A 120 12.618 5.793 -0.799 1.00 0.00 N ATOM 1914 CA ASP A 120 13.161 4.438 -1.182 1.00 0.00 C ATOM 1915 C ASP A 120 13.063 3.511 0.028 1.00 0.00 C ATOM 1916 O ASP A 120 13.974 2.762 0.329 1.00 0.00 O ATOM 1917 CB ASP A 120 14.632 4.556 -1.610 1.00 0.00 C ATOM 1918 CG ASP A 120 15.475 5.111 -0.455 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.906 5.399 0.587 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.676 5.238 -0.631 1.00 0.00 O ATOM 0 H ASP A 120 13.035 6.200 0.038 1.00 0.00 H new ATOM 0 HA ASP A 120 12.582 4.039 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 120 15.011 3.579 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.715 5.210 -2.478 1.00 0.00 H new ATOM 1925 N GLY A 121 11.975 3.576 0.732 1.00 0.00 N ATOM 1926 CA GLY A 121 11.808 2.733 1.941 1.00 0.00 C ATOM 1927 C GLY A 121 11.785 1.260 1.572 1.00 0.00 C ATOM 1928 O GLY A 121 12.339 0.832 0.582 1.00 0.00 O ATOM 0 H GLY A 121 11.184 4.184 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.623 2.925 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.882 2.999 2.451 1.00 0.00 H new ATOM 1932 N MET A 122 11.119 0.486 2.376 1.00 0.00 N ATOM 1933 CA MET A 122 11.002 -0.977 2.125 1.00 0.00 C ATOM 1934 C MET A 122 9.560 -1.368 2.442 1.00 0.00 C ATOM 1935 O MET A 122 8.869 -0.652 3.131 1.00 0.00 O ATOM 1936 CB MET A 122 11.997 -1.734 3.024 1.00 0.00 C ATOM 1937 CG MET A 122 12.051 -3.212 2.633 1.00 0.00 C ATOM 1938 SD MET A 122 13.003 -4.141 3.873 1.00 0.00 S ATOM 1939 CE MET A 122 14.664 -3.553 3.430 1.00 0.00 C ATOM 0 H MET A 122 10.640 0.811 3.216 1.00 0.00 H new ATOM 0 HA MET A 122 11.238 -1.230 1.091 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.989 -1.291 2.933 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.699 -1.638 4.068 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.041 -3.615 2.559 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.511 -3.322 1.651 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.413 -4.176 3.919 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.794 -3.610 2.349 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.783 -2.520 3.756 1.00 0.00 H new ATOM 1949 N GLY A 123 9.072 -2.476 1.941 1.00 0.00 N ATOM 1950 CA GLY A 123 7.650 -2.835 2.232 1.00 0.00 C ATOM 1951 C GLY A 123 7.436 -4.348 2.176 1.00 0.00 C ATOM 1952 O GLY A 123 7.443 -4.958 1.126 1.00 0.00 O ATOM 0 H GLY A 123 9.584 -3.135 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.373 -2.463 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.995 -2.346 1.511 1.00 0.00 H new ATOM 1956 N CYS A 124 7.228 -4.948 3.318 1.00 0.00 N ATOM 1957 CA CYS A 124 6.978 -6.420 3.372 1.00 0.00 C ATOM 1958 C CYS A 124 5.487 -6.705 3.267 1.00 0.00 C ATOM 1959 O CYS A 124 4.665 -5.999 3.816 1.00 0.00 O ATOM 1960 CB CYS A 124 7.509 -7.007 4.691 1.00 0.00 C ATOM 1961 SG CYS A 124 6.362 -6.638 6.048 1.00 0.00 S ATOM 0 H CYS A 124 7.220 -4.478 4.223 1.00 0.00 H new ATOM 0 HA CYS A 124 7.499 -6.884 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.633 -8.085 4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.492 -6.591 4.913 1.00 0.00 H new ATOM 0 HG CYS A 124 5.251 -6.171 5.562 1.00 0.00 H new ATOM 1967 N LEU A 125 5.137 -7.768 2.597 1.00 0.00 N ATOM 1968 CA LEU A 125 3.688 -8.139 2.489 1.00 0.00 C ATOM 1969 C LEU A 125 3.558 -9.654 2.616 1.00 0.00 C ATOM 1970 O LEU A 125 4.475 -10.387 2.303 1.00 0.00 O ATOM 1971 CB LEU A 125 3.106 -7.644 1.161 1.00 0.00 C ATOM 1972 CG LEU A 125 3.680 -8.410 -0.039 1.00 0.00 C ATOM 1973 CD1 LEU A 125 2.908 -8.007 -1.313 1.00 0.00 C ATOM 1974 CD2 LEU A 125 5.182 -8.078 -0.211 1.00 0.00 C ATOM 0 H LEU A 125 5.784 -8.396 2.120 1.00 0.00 H new ATOM 0 HA LEU A 125 3.123 -7.663 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.022 -7.754 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.316 -6.581 1.047 1.00 0.00 H new ATOM 0 HG LEU A 125 3.574 -9.481 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.311 -8.548 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.853 -8.253 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.014 -6.935 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.580 -8.626 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.301 -7.008 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.724 -8.366 0.690 1.00 0.00 H new ATOM 1986 N GLU A 126 2.440 -10.140 3.083 1.00 0.00 N ATOM 1987 CA GLU A 126 2.281 -11.619 3.237 1.00 0.00 C ATOM 1988 C GLU A 126 0.790 -11.980 3.204 1.00 0.00 C ATOM 1989 O GLU A 126 -0.041 -11.284 3.752 1.00 0.00 O ATOM 1990 CB GLU A 126 2.867 -12.069 4.587 1.00 0.00 C ATOM 1991 CG GLU A 126 4.355 -11.720 4.672 1.00 0.00 C ATOM 1992 CD GLU A 126 4.947 -12.356 5.926 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.227 -13.075 6.594 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.112 -12.113 6.197 1.00 0.00 O ATOM 0 H GLU A 126 1.633 -9.583 3.364 1.00 0.00 H new ATOM 0 HA GLU A 126 2.805 -12.118 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.328 -11.587 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.733 -13.144 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.877 -12.081 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.486 -10.638 4.701 1.00 0.00 H new ATOM 2001 N PHE A 127 0.444 -13.074 2.598 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.988 -13.489 2.573 1.00 0.00 C ATOM 2003 C PHE A 127 -1.355 -14.047 3.961 1.00 0.00 C ATOM 2004 O PHE A 127 -1.253 -15.230 4.191 1.00 0.00 O ATOM 2005 CB PHE A 127 -1.147 -14.568 1.478 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.826 -14.015 0.233 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -1.098 -13.286 -0.734 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.187 -14.270 0.030 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.745 -12.827 -1.893 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.829 -13.806 -1.122 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.111 -13.087 -2.086 1.00 0.00 C ATOM 0 H PHE A 127 1.088 -13.703 2.117 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.650 -12.653 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -0.167 -14.963 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.730 -15.401 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.048 -13.083 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.745 -14.828 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.191 -12.273 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.881 -14.002 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.608 -12.733 -2.977 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.773 -13.209 4.887 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.125 -13.724 6.256 1.00 0.00 C ATOM 2023 C ASP A 128 -3.271 -12.910 6.851 1.00 0.00 C ATOM 2024 O ASP A 128 -3.424 -12.811 8.055 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.892 -13.617 7.158 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.098 -14.420 8.445 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.168 -14.982 8.613 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.181 -14.450 9.251 1.00 0.00 O ATOM 0 H ASP A 128 -1.885 -12.203 4.757 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.442 -14.764 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.014 -13.986 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.702 -12.572 7.401 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.064 -12.322 6.018 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.200 -11.498 6.512 1.00 0.00 C ATOM 2035 C GLU A 129 -6.247 -12.372 7.245 1.00 0.00 C ATOM 2036 O GLU A 129 -6.835 -13.284 6.683 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.817 -10.781 5.299 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.993 -9.545 4.945 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.204 -8.452 5.998 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.343 -8.207 6.353 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.220 -7.873 6.432 1.00 0.00 O ATOM 0 H GLU A 129 -3.979 -12.373 5.003 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.848 -10.766 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.855 -11.459 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.844 -10.491 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.936 -9.807 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.283 -9.174 3.962 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.499 -12.094 8.508 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.507 -12.908 9.257 1.00 0.00 C ATOM 2050 C GLU A 130 -8.850 -12.793 8.558 1.00 0.00 C ATOM 2051 O GLU A 130 -9.646 -13.711 8.539 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.628 -12.404 10.698 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.156 -10.969 10.706 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.104 -10.420 12.135 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -7.014 -10.345 12.680 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -9.155 -10.083 12.658 1.00 0.00 O ATOM 0 H GLU A 130 -6.055 -11.348 9.043 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.188 -13.950 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.299 -13.051 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.656 -12.446 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.557 -10.345 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.179 -10.943 10.331 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.099 -11.684 7.939 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.369 -11.557 7.206 1.00 0.00 C ATOM 2065 C ARG A 131 -10.267 -12.489 5.998 1.00 0.00 C ATOM 2066 O ARG A 131 -11.238 -12.835 5.379 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.609 -10.096 6.798 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.353 -9.507 6.163 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.619 -8.042 5.788 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.786 -7.995 4.861 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.418 -6.873 4.639 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -11.014 -5.764 5.197 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.465 -6.862 3.858 1.00 0.00 N ATOM 0 H ARG A 131 -8.485 -10.870 7.910 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.223 -11.839 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.440 -10.040 6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.891 -9.509 7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.515 -9.571 6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.077 -10.078 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.822 -7.453 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.740 -7.607 5.313 1.00 0.00 H new ATOM 0 HE ARG A 131 -11.094 -8.848 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -10.200 -5.769 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -11.513 -4.892 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.787 -7.727 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.961 -5.988 3.682 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.075 -12.940 5.693 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.925 -13.890 4.558 1.00 0.00 C ATOM 2089 C ALA A 132 -9.680 -15.160 4.874 1.00 0.00 C ATOM 2090 O ALA A 132 -10.429 -15.658 4.059 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.457 -14.252 4.333 1.00 0.00 C ATOM 0 H ALA A 132 -8.212 -12.693 6.177 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.317 -13.412 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.378 -14.948 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.890 -13.349 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.055 -14.718 5.233 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.498 -15.712 6.033 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.242 -16.972 6.310 1.00 0.00 C ATOM 2099 C GLN A 133 -11.754 -16.692 6.227 1.00 0.00 C ATOM 2100 O GLN A 133 -12.508 -17.439 5.619 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.860 -17.536 7.699 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.659 -16.844 8.807 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.072 -17.193 10.175 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.867 -17.279 10.339 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.883 -17.389 11.170 1.00 0.00 N ATOM 0 H GLN A 133 -8.892 -15.367 6.778 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.976 -17.722 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.049 -18.609 7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.793 -17.396 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.640 -15.764 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.703 -17.154 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.891 -17.316 11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.513 -17.616 12.093 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.219 -15.620 6.825 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.690 -15.336 6.766 1.00 0.00 C ATOM 2116 C GLN A 134 -14.118 -14.801 5.380 1.00 0.00 C ATOM 2117 O GLN A 134 -15.193 -15.103 4.905 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.074 -14.339 7.886 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.916 -12.881 7.411 1.00 0.00 C ATOM 2120 CD GLN A 134 -15.175 -12.444 6.634 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -16.280 -12.726 7.051 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -15.051 -11.774 5.516 1.00 0.00 N ATOM 0 H GLN A 134 -11.658 -14.942 7.341 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.224 -16.273 6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.104 -14.514 8.195 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.446 -14.510 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.760 -12.225 8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.035 -12.790 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.124 -11.536 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.882 -11.490 4.997 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.316 -13.991 4.742 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.738 -13.437 3.415 1.00 0.00 C ATOM 2133 C GLU A 135 -13.708 -14.530 2.350 1.00 0.00 C ATOM 2134 O GLU A 135 -14.456 -14.501 1.394 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.836 -12.254 3.013 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.563 -12.735 2.284 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.816 -12.806 0.773 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.974 -12.832 0.385 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -10.851 -12.828 0.032 1.00 0.00 O ATOM 0 H GLU A 135 -12.399 -13.690 5.073 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.761 -13.070 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.392 -11.575 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.556 -11.690 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.737 -12.054 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.269 -13.716 2.658 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.834 -15.488 2.497 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.762 -16.566 1.477 1.00 0.00 C ATOM 2148 C ASP A 136 -14.098 -17.309 1.491 1.00 0.00 C ATOM 2149 O ASP A 136 -14.660 -17.621 0.459 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.590 -17.529 1.791 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.995 -18.551 2.857 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.910 -19.318 2.600 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -11.372 -18.559 3.899 1.00 0.00 O ATOM 0 H ASP A 136 -12.175 -15.569 3.271 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.580 -16.145 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.286 -18.047 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.728 -16.959 2.137 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.619 -17.576 2.664 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.927 -18.283 2.756 1.00 0.00 C ATOM 2160 C ALA A 137 -17.023 -17.441 2.090 1.00 0.00 C ATOM 2161 O ALA A 137 -17.898 -17.961 1.424 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.287 -18.493 4.232 1.00 0.00 C ATOM 0 H ALA A 137 -14.193 -17.334 3.559 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.850 -19.245 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.244 -19.010 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.514 -19.092 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.359 -17.526 4.730 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.990 -16.148 2.288 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.042 -15.258 1.693 1.00 0.00 C ATOM 2170 C LEU A 138 -17.715 -14.945 0.231 1.00 0.00 C ATOM 2171 O LEU A 138 -18.502 -14.359 -0.478 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.092 -13.941 2.473 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.374 -14.206 3.960 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.415 -12.859 4.713 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.721 -14.955 4.119 1.00 0.00 C ATOM 0 H LEU A 138 -16.279 -15.665 2.837 1.00 0.00 H new ATOM 0 HA LEU A 138 -19.002 -15.771 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.145 -13.412 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.867 -13.296 2.059 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.584 -14.829 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.615 -13.039 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.455 -12.353 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.204 -12.233 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.913 -15.139 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.526 -14.348 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.673 -15.906 3.588 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.550 -15.313 -0.220 1.00 0.00 N ATOM 2188 CA ALA A 139 -16.179 -15.005 -1.638 1.00 0.00 C ATOM 2189 C ALA A 139 -17.176 -15.672 -2.587 1.00 0.00 C ATOM 2190 O ALA A 139 -17.475 -15.165 -3.646 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.780 -15.543 -1.942 1.00 0.00 C ATOM 0 H ALA A 139 -15.842 -15.809 0.321 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.196 -13.924 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.519 -15.314 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.057 -15.076 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.765 -16.623 -1.795 1.00 0.00 H new