USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl -129:sc= -0.0138 (180deg=-1.93) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -2.07! C(o=-3.8!,f=-9.7!) USER MOD Set 2.2: A 73 TYR OH : rot 110:sc= 0.945 USER MOD Set 2.3: A 90 MET CE :methyl 169:sc= -2.7 (180deg=-2.95) USER MOD Set 3.1: A 32 ASN : amide:sc= -2.98! C(o=-4!,f=-10!) USER MOD Set 3.2: A 35 THR OG1 : rot 160:sc= -1.05 USER MOD Single : A 12 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.41) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -159:sc= 0.0616 USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -5.01! (180deg=-5.97!) USER MOD Single : A 22 THR OG1 : rot -108:sc= 0.735 USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= -0.269 (180deg=-1.78!) USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.386 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 36 SER OG : rot 108:sc= -0.519 USER MOD Single : A 39 ASN : amide:sc= 0.264! C(o=0.26!,f=-9.3!) USER MOD Single : A 42 SER OG : rot 160:sc=-0.00202 USER MOD Single : A 44 CYS SG : rot 81:sc= -0.231 USER MOD Single : A 48 HIS : no HD1:sc= -7.31! K(o=-7.3!,f=-5) USER MOD Single : A 49 HIS : no HD1:sc= -2.96! K(o=-3!,f=-3.5) USER MOD Single : A 57 TYR OH : rot 150:sc= -0.437 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0136 (180deg=-0.168) USER MOD Single : A 59 SER OG : rot -50:sc= 0.504 USER MOD Single : A 61 ASN : amide:sc= -3.61! C(o=-3.6!,f=-3!) USER MOD Single : A 63 GLN : amide:sc= -11! C(o=-11!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.5) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.0283 (180deg=-0.242) USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= 0.984 (180deg=-0.205) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.411 USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= -0.371 (180deg=-1.77!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.025 USER MOD Single : A 107 GLN : amide:sc= -0.0516 K(o=-0.052,f=-1.6!) USER MOD Single : A 111 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.569 1.558 -9.092 1.00 0.00 N ATOM 116 CA GLN A 12 10.675 0.802 -9.963 1.00 0.00 C ATOM 117 C GLN A 12 10.361 -0.565 -9.364 1.00 0.00 C ATOM 118 O GLN A 12 9.215 -1.014 -9.385 1.00 0.00 O ATOM 119 CB GLN A 12 11.301 0.634 -11.348 1.00 0.00 C ATOM 120 CG GLN A 12 10.456 -0.196 -12.301 1.00 0.00 C ATOM 121 CD GLN A 12 9.477 0.645 -13.097 1.00 0.00 C ATOM 122 OE1 GLN A 12 9.842 1.680 -13.655 1.00 0.00 O ATOM 123 NE2 GLN A 12 8.227 0.203 -13.155 1.00 0.00 N ATOM 0 HA GLN A 12 9.743 1.359 -10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.465 1.619 -11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.279 0.165 -11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.111 -0.732 -12.988 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.906 -0.947 -11.733 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.969 -0.660 -12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.525 0.727 -13.677 1.00 0.00 H new ATOM 132 N SER A 13 11.386 -1.223 -8.832 1.00 0.00 N ATOM 133 CA SER A 13 11.219 -2.541 -8.231 1.00 0.00 C ATOM 134 C SER A 13 9.959 -2.591 -7.372 1.00 0.00 C ATOM 135 O SER A 13 9.073 -3.418 -7.597 1.00 0.00 O ATOM 136 CB SER A 13 12.442 -2.897 -7.384 1.00 0.00 C ATOM 137 OG SER A 13 13.445 -3.516 -8.171 1.00 0.00 O ATOM 0 H SER A 13 12.341 -0.865 -8.805 1.00 0.00 H new ATOM 0 HA SER A 13 11.118 -3.270 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.843 -1.995 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.146 -3.565 -6.575 1.00 0.00 H new ATOM 0 HG SER A 13 14.217 -3.732 -7.607 1.00 0.00 H new ATOM 143 N LEU A 14 9.886 -1.702 -6.389 1.00 0.00 N ATOM 144 CA LEU A 14 8.734 -1.643 -5.495 1.00 0.00 C ATOM 145 C LEU A 14 7.443 -1.442 -6.281 1.00 0.00 C ATOM 146 O LEU A 14 6.565 -2.305 -6.286 1.00 0.00 O ATOM 147 CB LEU A 14 8.909 -0.512 -4.480 1.00 0.00 C ATOM 148 CG LEU A 14 7.637 -0.046 -3.770 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.197 -1.071 -2.736 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.858 1.311 -3.117 1.00 0.00 C ATOM 0 H LEU A 14 10.610 -1.012 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 14 8.669 -2.593 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.625 -0.836 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.350 0.344 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 14 6.845 0.054 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.291 -0.722 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.998 -2.023 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.986 -1.203 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.943 1.627 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.664 1.236 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.126 2.042 -3.880 1.00 0.00 H new ATOM 162 N LEU A 15 7.336 -0.298 -6.948 1.00 0.00 N ATOM 163 CA LEU A 15 6.153 0.017 -7.742 1.00 0.00 C ATOM 164 C LEU A 15 5.544 -1.248 -8.338 1.00 0.00 C ATOM 165 O LEU A 15 4.432 -1.640 -7.985 1.00 0.00 O ATOM 166 CB LEU A 15 6.510 1.000 -8.858 1.00 0.00 C ATOM 167 CG LEU A 15 5.333 1.600 -9.627 1.00 0.00 C ATOM 168 CD1 LEU A 15 4.891 2.908 -8.989 1.00 0.00 C ATOM 169 CD2 LEU A 15 5.702 1.815 -11.087 1.00 0.00 C ATOM 0 H LEU A 15 8.054 0.427 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 15 5.416 0.477 -7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.088 1.816 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.161 0.491 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 15 4.500 0.898 -9.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.052 3.321 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.584 2.725 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.719 3.617 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.852 2.243 -11.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.550 2.497 -11.151 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.969 0.860 -11.539 1.00 0.00 H new ATOM 181 N VAL A 16 6.282 -1.885 -9.242 1.00 0.00 N ATOM 182 CA VAL A 16 5.817 -3.108 -9.884 1.00 0.00 C ATOM 183 C VAL A 16 5.193 -4.059 -8.869 1.00 0.00 C ATOM 184 O VAL A 16 4.021 -4.420 -8.981 1.00 0.00 O ATOM 185 CB VAL A 16 6.966 -3.832 -10.611 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.431 -5.001 -11.424 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.731 -2.861 -11.497 1.00 0.00 C ATOM 0 H VAL A 16 7.205 -1.574 -9.546 1.00 0.00 H new ATOM 0 HA VAL A 16 5.063 -2.815 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 16 7.655 -4.226 -9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.257 -5.500 -11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.932 -5.707 -10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.720 -4.634 -12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.539 -3.389 -12.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.055 -2.436 -12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.148 -2.061 -10.885 1.00 0.00 H new ATOM 197 N TRP A 17 5.982 -4.460 -7.880 1.00 0.00 N ATOM 198 CA TRP A 17 5.506 -5.369 -6.843 1.00 0.00 C ATOM 199 C TRP A 17 4.024 -5.149 -6.565 1.00 0.00 C ATOM 200 O TRP A 17 3.267 -6.105 -6.386 1.00 0.00 O ATOM 201 CB TRP A 17 6.313 -5.178 -5.558 1.00 0.00 C ATOM 202 CG TRP A 17 5.923 -6.126 -4.465 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.409 -7.386 -4.260 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.964 -5.890 -3.428 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.810 -7.947 -3.158 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.920 -7.050 -2.630 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.140 -4.812 -3.095 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.084 -7.160 -1.522 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.310 -4.923 -1.996 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.287 -6.089 -1.220 1.00 0.00 C ATOM 0 H TRP A 17 6.954 -4.171 -7.773 1.00 0.00 H new ATOM 0 HA TRP A 17 5.642 -6.390 -7.200 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.372 -5.307 -5.780 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.184 -4.155 -5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.154 -7.870 -4.874 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.998 -8.881 -2.792 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.152 -3.908 -3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.065 -8.058 -0.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.668 -4.096 -1.731 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.627 -6.144 -0.367 1.00 0.00 H new ATOM 221 N CYS A 18 3.614 -3.886 -6.529 1.00 0.00 N ATOM 222 CA CYS A 18 2.221 -3.541 -6.271 1.00 0.00 C ATOM 223 C CYS A 18 1.367 -3.760 -7.516 1.00 0.00 C ATOM 224 O CYS A 18 0.299 -4.368 -7.450 1.00 0.00 O ATOM 225 CB CYS A 18 2.110 -2.086 -5.812 1.00 0.00 C ATOM 226 SG CYS A 18 3.426 -1.565 -4.687 1.00 0.00 S ATOM 0 H CYS A 18 4.227 -3.084 -6.675 1.00 0.00 H new ATOM 0 HA CYS A 18 1.852 -4.193 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.118 -1.438 -6.688 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.148 -1.944 -5.319 1.00 0.00 H new ATOM 0 HG CYS A 18 3.037 -0.520 -4.018 1.00 0.00 H new ATOM 232 N LYS A 19 1.845 -3.260 -8.650 1.00 0.00 N ATOM 233 CA LYS A 19 1.126 -3.400 -9.911 1.00 0.00 C ATOM 234 C LYS A 19 0.858 -4.868 -10.224 1.00 0.00 C ATOM 235 O LYS A 19 -0.231 -5.227 -10.671 1.00 0.00 O ATOM 236 CB LYS A 19 1.925 -2.762 -11.050 1.00 0.00 C ATOM 237 CG LYS A 19 2.448 -1.374 -10.724 1.00 0.00 C ATOM 238 CD LYS A 19 2.995 -0.679 -11.959 1.00 0.00 C ATOM 239 CE LYS A 19 4.490 -0.914 -12.115 1.00 0.00 C ATOM 240 NZ LYS A 19 4.780 -2.198 -12.812 1.00 0.00 N ATOM 0 H LYS A 19 2.728 -2.754 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 19 0.169 -2.887 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.766 -3.409 -11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.294 -2.704 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.646 -0.774 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.232 -1.447 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.474 -1.044 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.799 0.391 -11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.931 -0.089 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.961 -0.920 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.733 -2.160 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.731 -2.982 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.080 -2.350 -13.566 1.00 0.00 H new ATOM 254 N GLU A 20 1.858 -5.712 -9.986 1.00 0.00 N ATOM 255 CA GLU A 20 1.728 -7.141 -10.243 1.00 0.00 C ATOM 256 C GLU A 20 0.533 -7.722 -9.492 1.00 0.00 C ATOM 257 O GLU A 20 -0.474 -8.093 -10.096 1.00 0.00 O ATOM 258 CB GLU A 20 3.007 -7.874 -9.833 1.00 0.00 C ATOM 259 CG GLU A 20 3.283 -9.122 -10.653 1.00 0.00 C ATOM 260 CD GLU A 20 3.838 -8.806 -12.028 1.00 0.00 C ATOM 261 OE1 GLU A 20 4.578 -7.807 -12.153 1.00 0.00 O ATOM 262 OE2 GLU A 20 3.533 -9.555 -12.979 1.00 0.00 O ATOM 0 H GLU A 20 2.766 -5.431 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 20 1.566 -7.279 -11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.852 -7.193 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.936 -8.149 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.990 -9.755 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.361 -9.693 -10.760 1.00 0.00 H new ATOM 269 N VAL A 21 0.652 -7.799 -8.170 1.00 0.00 N ATOM 270 CA VAL A 21 -0.418 -8.334 -7.336 1.00 0.00 C ATOM 271 C VAL A 21 -1.755 -7.685 -7.674 1.00 0.00 C ATOM 272 O VAL A 21 -2.816 -8.272 -7.457 1.00 0.00 O ATOM 273 CB VAL A 21 -0.121 -8.123 -5.840 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.358 -8.336 -5.553 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.563 -6.736 -5.399 1.00 0.00 C ATOM 0 H VAL A 21 1.479 -7.498 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.475 -9.403 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.687 -8.859 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.548 -8.182 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.640 -9.352 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.947 -7.626 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.345 -6.605 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.026 -5.983 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.634 -6.625 -5.566 1.00 0.00 H new ATOM 285 N THR A 22 -1.699 -6.469 -8.208 1.00 0.00 N ATOM 286 CA THR A 22 -2.905 -5.739 -8.576 1.00 0.00 C ATOM 287 C THR A 22 -3.093 -5.715 -10.089 1.00 0.00 C ATOM 288 O THR A 22 -3.673 -4.777 -10.638 1.00 0.00 O ATOM 289 CB THR A 22 -2.868 -4.291 -8.052 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.742 -3.599 -8.603 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.789 -4.268 -6.533 1.00 0.00 C ATOM 0 H THR A 22 -0.830 -5.969 -8.395 1.00 0.00 H new ATOM 0 HA THR A 22 -3.743 -6.262 -8.116 1.00 0.00 H new ATOM 0 HB THR A 22 -3.787 -3.793 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.071 -3.457 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.764 -3.235 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.662 -4.770 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.885 -4.782 -6.208 1.00 0.00 H new ATOM 387 N VAL A 28 -6.833 0.133 -10.132 1.00 0.00 N ATOM 388 CA VAL A 28 -5.565 0.092 -9.414 1.00 0.00 C ATOM 389 C VAL A 28 -4.405 0.480 -10.324 1.00 0.00 C ATOM 390 O VAL A 28 -3.761 -0.377 -10.929 1.00 0.00 O ATOM 391 CB VAL A 28 -5.297 -1.307 -8.828 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.924 -1.358 -8.174 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.384 -1.686 -7.834 1.00 0.00 C ATOM 0 HA VAL A 28 -5.640 0.812 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.313 -2.032 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.752 -2.354 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.159 -1.133 -8.917 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.876 -0.623 -7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.178 -2.677 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.403 -0.960 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.351 -1.693 -8.337 1.00 0.00 H new ATOM 403 N LYS A 29 -4.143 1.780 -10.416 1.00 0.00 N ATOM 404 CA LYS A 29 -3.059 2.284 -11.251 1.00 0.00 C ATOM 405 C LYS A 29 -1.991 2.967 -10.402 1.00 0.00 C ATOM 406 O LYS A 29 -2.123 4.138 -10.046 1.00 0.00 O ATOM 407 CB LYS A 29 -3.603 3.266 -12.291 1.00 0.00 C ATOM 408 CG LYS A 29 -2.552 3.762 -13.268 1.00 0.00 C ATOM 409 CD LYS A 29 -3.146 4.717 -14.289 1.00 0.00 C ATOM 410 CE LYS A 29 -3.397 6.092 -13.688 1.00 0.00 C ATOM 411 NZ LYS A 29 -4.753 6.193 -13.082 1.00 0.00 N ATOM 0 H LYS A 29 -4.667 2.503 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.604 1.436 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.406 2.784 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.041 4.121 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.753 4.263 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.102 2.913 -13.782 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.470 4.808 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.082 4.309 -14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.643 6.299 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.287 6.852 -14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.201 7.083 -13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.335 5.391 -13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.672 6.175 -12.045 1.00 0.00 H new ATOM 425 N ILE A 30 -0.934 2.228 -10.083 1.00 0.00 N ATOM 426 CA ILE A 30 0.157 2.763 -9.278 1.00 0.00 C ATOM 427 C ILE A 30 1.029 3.711 -10.095 1.00 0.00 C ATOM 428 O ILE A 30 2.090 3.327 -10.588 1.00 0.00 O ATOM 429 CB ILE A 30 1.039 1.638 -8.705 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.205 0.706 -7.823 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.199 2.225 -7.916 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.234 -0.559 -8.527 1.00 0.00 C ATOM 0 H ILE A 30 -0.810 1.257 -10.370 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.299 3.311 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 30 1.445 1.057 -9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.786 0.438 -6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.677 1.243 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.813 1.418 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.804 2.852 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.812 2.827 -7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.820 -1.172 -7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.842 -0.301 -9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.644 -1.117 -8.853 1.00 0.00 H new ATOM 444 N THR A 31 0.575 4.952 -10.235 1.00 0.00 N ATOM 445 CA THR A 31 1.313 5.956 -10.991 1.00 0.00 C ATOM 446 C THR A 31 2.203 6.789 -10.077 1.00 0.00 C ATOM 447 O THR A 31 3.233 7.310 -10.504 1.00 0.00 O ATOM 448 CB THR A 31 0.361 6.895 -11.756 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.246 6.194 -12.847 1.00 0.00 O ATOM 450 CG2 THR A 31 1.108 8.111 -12.281 1.00 0.00 C ATOM 0 H THR A 31 -0.301 5.286 -9.834 1.00 0.00 H new ATOM 0 HA THR A 31 1.935 5.418 -11.707 1.00 0.00 H new ATOM 0 HB THR A 31 -0.413 7.233 -11.067 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.585 6.839 -13.502 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.416 8.760 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.545 8.658 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.900 7.788 -12.957 1.00 0.00 H new ATOM 458 N ASN A 32 1.801 6.909 -8.816 1.00 0.00 N ATOM 459 CA ASN A 32 2.564 7.679 -7.840 1.00 0.00 C ATOM 460 C ASN A 32 2.414 7.087 -6.442 1.00 0.00 C ATOM 461 O ASN A 32 1.407 6.451 -6.130 1.00 0.00 O ATOM 462 CB ASN A 32 2.104 9.138 -7.839 1.00 0.00 C ATOM 463 CG ASN A 32 0.663 9.291 -8.285 1.00 0.00 C ATOM 464 OD1 ASN A 32 -0.133 8.358 -8.179 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.321 10.472 -8.787 1.00 0.00 N ATOM 0 H ASN A 32 0.951 6.483 -8.446 1.00 0.00 H new ATOM 0 HA ASN A 32 3.616 7.636 -8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.217 9.551 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.749 9.720 -8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.635 10.634 -9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.014 11.217 -8.856 1.00 0.00 H new ATOM 472 N PHE A 33 3.423 7.300 -5.604 1.00 0.00 N ATOM 473 CA PHE A 33 3.405 6.787 -4.239 1.00 0.00 C ATOM 474 C PHE A 33 2.823 7.819 -3.278 1.00 0.00 C ATOM 475 O PHE A 33 2.945 7.689 -2.059 1.00 0.00 O ATOM 476 CB PHE A 33 4.818 6.401 -3.797 1.00 0.00 C ATOM 477 CG PHE A 33 5.299 5.107 -4.389 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.651 3.917 -4.105 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.400 5.082 -5.231 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.092 2.725 -4.648 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.846 3.893 -5.777 1.00 0.00 C ATOM 482 CZ PHE A 33 6.190 2.713 -5.486 1.00 0.00 C ATOM 0 H PHE A 33 4.264 7.824 -5.846 1.00 0.00 H new ATOM 0 HA PHE A 33 2.771 5.900 -4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.508 7.198 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.842 6.325 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.791 3.920 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.915 6.002 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.578 1.803 -4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.706 3.887 -6.430 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.535 1.783 -5.913 1.00 0.00 H new ATOM 492 N THR A 34 2.190 8.847 -3.835 1.00 0.00 N ATOM 493 CA THR A 34 1.590 9.903 -3.029 1.00 0.00 C ATOM 494 C THR A 34 0.069 9.865 -3.116 1.00 0.00 C ATOM 495 O THR A 34 -0.615 9.626 -2.121 1.00 0.00 O ATOM 496 CB THR A 34 2.084 11.294 -3.470 1.00 0.00 C ATOM 497 OG1 THR A 34 1.800 11.497 -4.858 1.00 0.00 O ATOM 498 CG2 THR A 34 3.578 11.441 -3.225 1.00 0.00 C ATOM 0 H THR A 34 2.080 8.971 -4.841 1.00 0.00 H new ATOM 0 HA THR A 34 1.896 9.726 -1.998 1.00 0.00 H new ATOM 0 HB THR A 34 1.560 12.045 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.115 12.384 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.903 12.431 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.787 11.316 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.116 10.682 -3.792 1.00 0.00 H new ATOM 506 N THR A 35 -0.457 10.102 -4.314 1.00 0.00 N ATOM 507 CA THR A 35 -1.898 10.095 -4.531 1.00 0.00 C ATOM 508 C THR A 35 -2.423 8.672 -4.688 1.00 0.00 C ATOM 509 O THR A 35 -3.358 8.266 -3.998 1.00 0.00 O ATOM 510 CB THR A 35 -2.282 10.912 -5.779 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.701 10.324 -6.948 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.816 12.354 -5.645 1.00 0.00 C ATOM 0 H THR A 35 0.094 10.301 -5.149 1.00 0.00 H new ATOM 0 HA THR A 35 -2.352 10.553 -3.652 1.00 0.00 H new ATOM 0 HB THR A 35 -3.368 10.904 -5.871 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.185 10.630 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.098 12.912 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.283 12.808 -4.771 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.732 12.377 -5.530 1.00 0.00 H new ATOM 520 N SER A 36 -1.816 7.919 -5.600 1.00 0.00 N ATOM 521 CA SER A 36 -2.226 6.542 -5.850 1.00 0.00 C ATOM 522 C SER A 36 -2.600 5.842 -4.547 1.00 0.00 C ATOM 523 O SER A 36 -3.413 4.918 -4.538 1.00 0.00 O ATOM 524 CB SER A 36 -1.104 5.773 -6.550 1.00 0.00 C ATOM 525 OG SER A 36 -1.627 4.745 -7.372 1.00 0.00 O ATOM 0 H SER A 36 -1.039 8.239 -6.178 1.00 0.00 H new ATOM 0 HA SER A 36 -3.103 6.562 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.510 6.459 -7.154 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.434 5.342 -5.805 1.00 0.00 H new ATOM 0 HG SER A 36 -1.528 4.997 -8.314 1.00 0.00 H new ATOM 531 N TRP A 37 -2.002 6.290 -3.449 1.00 0.00 N ATOM 532 CA TRP A 37 -2.272 5.707 -2.140 1.00 0.00 C ATOM 533 C TRP A 37 -3.029 6.689 -1.252 1.00 0.00 C ATOM 534 O TRP A 37 -3.662 6.294 -0.273 1.00 0.00 O ATOM 535 CB TRP A 37 -0.964 5.293 -1.463 1.00 0.00 C ATOM 536 CG TRP A 37 -0.041 4.536 -2.369 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.790 5.061 -3.318 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.144 3.117 -2.412 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.480 4.054 -3.948 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.103 2.852 -3.410 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.404 2.044 -1.704 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.521 1.559 -3.716 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.012 0.762 -2.009 1.00 0.00 C ATOM 544 CH2 TRP A 37 0.967 0.528 -3.007 1.00 0.00 C ATOM 0 H TRP A 37 -1.327 7.055 -3.439 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.893 4.823 -2.285 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.454 6.185 -1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.192 4.678 -0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.890 6.113 -3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.163 4.181 -4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.140 2.214 -0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.256 1.377 -4.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.406 -0.074 -1.469 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.272 -0.486 -3.221 1.00 0.00 H new ATOM 555 N ARG A 38 -2.960 7.969 -1.601 1.00 0.00 N ATOM 556 CA ARG A 38 -3.639 9.007 -0.835 1.00 0.00 C ATOM 557 C ARG A 38 -4.972 8.500 -0.293 1.00 0.00 C ATOM 558 O ARG A 38 -5.271 8.654 0.890 1.00 0.00 O ATOM 559 CB ARG A 38 -3.867 10.245 -1.704 1.00 0.00 C ATOM 560 CG ARG A 38 -4.957 11.166 -1.178 1.00 0.00 C ATOM 561 CD ARG A 38 -4.715 12.609 -1.593 1.00 0.00 C ATOM 562 NE ARG A 38 -5.345 12.924 -2.872 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.623 13.266 -2.997 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.401 13.337 -1.926 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.124 13.538 -4.195 1.00 0.00 N ATOM 0 H ARG A 38 -2.441 8.312 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.003 9.275 0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.934 10.804 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.128 9.927 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.926 10.836 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.997 11.101 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.102 13.277 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.643 12.791 -1.663 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.773 12.879 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.019 13.129 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.382 13.600 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.528 13.485 -5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.105 13.800 -4.290 1.00 0.00 H new ATOM 579 N ASN A 39 -5.768 7.894 -1.168 1.00 0.00 N ATOM 580 CA ASN A 39 -7.070 7.365 -0.778 1.00 0.00 C ATOM 581 C ASN A 39 -6.915 6.083 0.035 1.00 0.00 C ATOM 582 O ASN A 39 -7.594 5.888 1.042 1.00 0.00 O ATOM 583 CB ASN A 39 -7.927 7.096 -2.017 1.00 0.00 C ATOM 584 CG ASN A 39 -7.102 6.621 -3.198 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.942 6.239 -3.045 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.700 6.643 -4.383 1.00 0.00 N ATOM 0 H ASN A 39 -5.534 7.757 -2.151 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.566 8.111 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.681 6.346 -1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.460 8.006 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.196 6.335 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.664 6.968 -4.462 1.00 0.00 H new ATOM 593 N GLY A 40 -6.014 5.212 -0.411 1.00 0.00 N ATOM 594 CA GLY A 40 -5.785 3.960 0.287 1.00 0.00 C ATOM 595 C GLY A 40 -6.259 2.759 -0.507 1.00 0.00 C ATOM 596 O GLY A 40 -6.716 1.769 0.065 1.00 0.00 O ATOM 0 H GLY A 40 -5.439 5.351 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.721 3.855 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.300 3.983 1.247 1.00 0.00 H new ATOM 600 N LEU A 41 -6.151 2.845 -1.828 1.00 0.00 N ATOM 601 CA LEU A 41 -6.574 1.757 -2.703 1.00 0.00 C ATOM 602 C LEU A 41 -5.478 0.703 -2.829 1.00 0.00 C ATOM 603 O LEU A 41 -5.622 -0.418 -2.342 1.00 0.00 O ATOM 604 CB LEU A 41 -6.937 2.300 -4.086 1.00 0.00 C ATOM 605 CG LEU A 41 -8.261 3.059 -4.183 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.512 3.513 -5.613 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.409 2.193 -3.687 1.00 0.00 C ATOM 0 H LEU A 41 -5.774 3.657 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.454 1.289 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.137 2.962 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.968 1.465 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.199 3.943 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.458 4.051 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.703 4.170 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.554 2.643 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.343 2.749 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.473 1.291 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.234 1.918 -2.647 1.00 0.00 H new ATOM 619 N SER A 42 -4.383 1.072 -3.486 1.00 0.00 N ATOM 620 CA SER A 42 -3.263 0.157 -3.677 1.00 0.00 C ATOM 621 C SER A 42 -2.901 -0.540 -2.370 1.00 0.00 C ATOM 622 O SER A 42 -2.279 -1.603 -2.371 1.00 0.00 O ATOM 623 CB SER A 42 -2.048 0.913 -4.219 1.00 0.00 C ATOM 624 OG SER A 42 -2.304 1.430 -5.514 1.00 0.00 O ATOM 0 H SER A 42 -4.247 1.997 -3.895 1.00 0.00 H new ATOM 0 HA SER A 42 -3.564 -0.601 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.792 1.729 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.187 0.246 -4.254 1.00 0.00 H new ATOM 0 HG SER A 42 -1.674 2.155 -5.707 1.00 0.00 H new ATOM 630 N PHE A 43 -3.295 0.066 -1.255 1.00 0.00 N ATOM 631 CA PHE A 43 -3.011 -0.495 0.061 1.00 0.00 C ATOM 632 C PHE A 43 -3.967 -1.641 0.381 1.00 0.00 C ATOM 633 O PHE A 43 -3.561 -2.667 0.928 1.00 0.00 O ATOM 634 CB PHE A 43 -3.120 0.589 1.136 1.00 0.00 C ATOM 635 CG PHE A 43 -1.856 1.379 1.321 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.632 0.738 1.425 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.891 2.762 1.390 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.533 1.462 1.596 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.730 3.492 1.561 1.00 0.00 C ATOM 640 CZ PHE A 43 0.484 2.840 1.663 1.00 0.00 C ATOM 0 H PHE A 43 -3.812 0.945 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.993 -0.885 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.929 1.270 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.390 0.124 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.588 -0.340 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.837 3.276 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.481 0.950 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.772 4.570 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.393 3.408 1.795 1.00 0.00 H new ATOM 650 N CYS A 44 -5.236 -1.458 0.037 1.00 0.00 N ATOM 651 CA CYS A 44 -6.251 -2.476 0.288 1.00 0.00 C ATOM 652 C CYS A 44 -6.207 -3.563 -0.781 1.00 0.00 C ATOM 653 O CYS A 44 -6.516 -4.723 -0.513 1.00 0.00 O ATOM 654 CB CYS A 44 -7.641 -1.840 0.329 1.00 0.00 C ATOM 655 SG CYS A 44 -7.969 -0.877 1.824 1.00 0.00 S ATOM 0 H CYS A 44 -5.588 -0.615 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.040 -2.934 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.758 -1.193 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.391 -2.626 0.244 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.442 0.305 1.703 1.00 0.00 H new ATOM 661 N ALA A 45 -5.821 -3.178 -1.993 1.00 0.00 N ATOM 662 CA ALA A 45 -5.737 -4.120 -3.102 1.00 0.00 C ATOM 663 C ALA A 45 -4.641 -5.153 -2.863 1.00 0.00 C ATOM 664 O ALA A 45 -4.840 -6.346 -3.093 1.00 0.00 O ATOM 665 CB ALA A 45 -5.488 -3.377 -4.407 1.00 0.00 C ATOM 0 H ALA A 45 -5.562 -2.221 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.688 -4.647 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.427 -4.092 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.307 -2.682 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.551 -2.824 -4.338 1.00 0.00 H new ATOM 671 N ILE A 46 -3.486 -4.687 -2.401 1.00 0.00 N ATOM 672 CA ILE A 46 -2.359 -5.572 -2.130 1.00 0.00 C ATOM 673 C ILE A 46 -2.730 -6.634 -1.101 1.00 0.00 C ATOM 674 O ILE A 46 -2.673 -7.833 -1.381 1.00 0.00 O ATOM 675 CB ILE A 46 -1.136 -4.786 -1.622 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.502 -3.992 -2.766 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.119 -5.732 -1.001 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.476 -2.936 -2.300 1.00 0.00 C ATOM 0 H ILE A 46 -3.306 -3.702 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.104 -6.056 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.466 -4.084 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.012 -4.682 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.291 -3.514 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.740 -5.162 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.576 -6.258 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.209 -6.455 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.886 -2.413 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.038 -2.223 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.286 -3.410 -1.745 1.00 0.00 H new ATOM 690 N LEU A 47 -3.111 -6.188 0.091 1.00 0.00 N ATOM 691 CA LEU A 47 -3.494 -7.100 1.163 1.00 0.00 C ATOM 692 C LEU A 47 -4.619 -8.028 0.714 1.00 0.00 C ATOM 693 O LEU A 47 -4.717 -9.168 1.169 1.00 0.00 O ATOM 694 CB LEU A 47 -3.931 -6.312 2.399 1.00 0.00 C ATOM 695 CG LEU A 47 -4.255 -7.139 3.643 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.010 -7.848 4.152 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.851 -6.257 4.730 1.00 0.00 C ATOM 0 H LEU A 47 -3.163 -5.200 0.339 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.625 -7.708 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.141 -5.606 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.812 -5.725 2.138 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.992 -7.894 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.260 -8.432 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.626 -8.511 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.249 -7.110 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.075 -6.863 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.137 -5.479 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.768 -5.797 4.363 1.00 0.00 H new ATOM 709 N HIS A 48 -5.464 -7.532 -0.184 1.00 0.00 N ATOM 710 CA HIS A 48 -6.581 -8.318 -0.698 1.00 0.00 C ATOM 711 C HIS A 48 -6.083 -9.451 -1.590 1.00 0.00 C ATOM 712 O HIS A 48 -6.576 -10.577 -1.514 1.00 0.00 O ATOM 713 CB HIS A 48 -7.544 -7.423 -1.480 1.00 0.00 C ATOM 714 CG HIS A 48 -8.844 -8.089 -1.811 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.999 -8.950 -2.876 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.054 -8.016 -1.208 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.249 -9.377 -2.916 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.910 -8.826 -1.914 1.00 0.00 N ATOM 0 H HIS A 48 -5.397 -6.591 -0.571 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.109 -8.753 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.744 -6.523 -0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.062 -7.105 -2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.300 -7.430 -0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.660 -10.060 -3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.896 -8.977 -1.699 1.00 0.00 H new ATOM 727 N HIS A 49 -5.103 -9.146 -2.435 1.00 0.00 N ATOM 728 CA HIS A 49 -4.539 -10.140 -3.341 1.00 0.00 C ATOM 729 C HIS A 49 -4.230 -11.437 -2.601 1.00 0.00 C ATOM 730 O HIS A 49 -4.436 -12.530 -3.130 1.00 0.00 O ATOM 731 CB HIS A 49 -3.268 -9.598 -3.998 1.00 0.00 C ATOM 732 CG HIS A 49 -2.839 -10.376 -5.204 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.656 -10.586 -6.294 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.669 -10.995 -5.487 1.00 0.00 C ATOM 735 CE1 HIS A 49 -3.009 -11.302 -7.196 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.800 -11.563 -6.731 1.00 0.00 N ATOM 0 H HIS A 49 -4.683 -8.219 -2.511 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.278 -10.352 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.432 -8.559 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.460 -9.603 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.795 -11.035 -4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.401 -11.620 -8.151 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.081 -12.099 -7.217 1.00 0.00 H new ATOM 745 N PHE A 50 -3.733 -11.309 -1.375 1.00 0.00 N ATOM 746 CA PHE A 50 -3.394 -12.472 -0.562 1.00 0.00 C ATOM 747 C PHE A 50 -4.629 -13.020 0.146 1.00 0.00 C ATOM 748 O PHE A 50 -4.910 -14.217 0.089 1.00 0.00 O ATOM 749 CB PHE A 50 -2.322 -12.106 0.467 1.00 0.00 C ATOM 750 CG PHE A 50 -1.109 -11.458 -0.136 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.075 -12.229 -0.644 1.00 0.00 C ATOM 752 CD2 PHE A 50 -1.001 -10.078 -0.194 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.043 -11.636 -1.199 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.114 -9.479 -0.749 1.00 0.00 C ATOM 755 CZ PHE A 50 1.138 -10.259 -1.251 1.00 0.00 C ATOM 0 H PHE A 50 -3.556 -10.412 -0.923 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.004 -13.245 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.755 -11.432 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.016 -13.008 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.144 -13.306 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.797 -9.463 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.841 -12.248 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.185 -8.402 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.011 -9.793 -1.683 1.00 0.00 H new ATOM 765 N ARG A 51 -5.363 -12.135 0.812 1.00 0.00 N ATOM 766 CA ARG A 51 -6.567 -12.529 1.533 1.00 0.00 C ATOM 767 C ARG A 51 -7.710 -11.556 1.257 1.00 0.00 C ATOM 768 O ARG A 51 -7.761 -10.451 1.798 1.00 0.00 O ATOM 769 CB ARG A 51 -6.290 -12.593 3.036 1.00 0.00 C ATOM 770 CG ARG A 51 -7.268 -13.470 3.800 1.00 0.00 C ATOM 771 CD ARG A 51 -6.867 -14.936 3.739 1.00 0.00 C ATOM 772 NE ARG A 51 -7.599 -15.745 4.710 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.364 -17.035 4.918 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.420 -17.660 4.226 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.072 -17.704 5.819 1.00 0.00 N ATOM 0 H ARG A 51 -5.145 -11.140 0.867 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.862 -13.518 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.279 -12.968 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.324 -11.584 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.312 -13.147 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.269 -13.348 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.050 -15.320 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.797 -15.027 3.925 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.331 -15.294 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.873 -17.149 3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.241 -18.651 4.387 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.798 -17.227 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.890 -18.695 5.977 1.00 0.00 H new ATOM 789 N PRO A 52 -8.648 -11.973 0.395 1.00 0.00 N ATOM 790 CA PRO A 52 -9.806 -11.154 0.027 1.00 0.00 C ATOM 791 C PRO A 52 -10.794 -10.997 1.178 1.00 0.00 C ATOM 792 O PRO A 52 -11.846 -10.375 1.025 1.00 0.00 O ATOM 793 CB PRO A 52 -10.445 -11.937 -1.123 1.00 0.00 C ATOM 794 CG PRO A 52 -10.022 -13.348 -0.900 1.00 0.00 C ATOM 795 CD PRO A 52 -8.651 -13.278 -0.288 1.00 0.00 C ATOM 0 HA PRO A 52 -9.517 -10.138 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.531 -11.842 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.103 -11.569 -2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.718 -13.864 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.003 -13.902 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.480 -14.097 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.869 -13.337 -1.045 1.00 0.00 H new ATOM 803 N ASP A 53 -10.450 -11.565 2.328 1.00 0.00 N ATOM 804 CA ASP A 53 -11.306 -11.487 3.506 1.00 0.00 C ATOM 805 C ASP A 53 -10.748 -10.492 4.519 1.00 0.00 C ATOM 806 O ASP A 53 -11.500 -9.807 5.213 1.00 0.00 O ATOM 807 CB ASP A 53 -11.449 -12.866 4.152 1.00 0.00 C ATOM 808 CG ASP A 53 -12.184 -13.848 3.261 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.306 -13.525 2.820 1.00 0.00 O ATOM 810 OD2 ASP A 53 -11.636 -14.941 3.005 1.00 0.00 O ATOM 0 H ASP A 53 -9.584 -12.085 2.470 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.289 -11.140 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.459 -13.260 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.982 -12.768 5.097 1.00 0.00 H new ATOM 815 N LEU A 54 -9.424 -10.419 4.600 1.00 0.00 N ATOM 816 CA LEU A 54 -8.763 -9.509 5.530 1.00 0.00 C ATOM 817 C LEU A 54 -9.339 -8.102 5.416 1.00 0.00 C ATOM 818 O LEU A 54 -9.439 -7.379 6.408 1.00 0.00 O ATOM 819 CB LEU A 54 -7.257 -9.480 5.262 1.00 0.00 C ATOM 820 CG LEU A 54 -6.417 -10.493 6.041 1.00 0.00 C ATOM 821 CD1 LEU A 54 -4.951 -10.380 5.655 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.593 -10.292 7.539 1.00 0.00 C ATOM 0 H LEU A 54 -8.787 -10.979 4.033 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.938 -9.872 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.094 -9.646 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.887 -8.480 5.489 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.762 -11.495 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.369 -11.108 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.840 -10.575 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.592 -9.376 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.988 -11.021 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.275 -9.285 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.642 -10.425 7.803 1.00 0.00 H new ATOM 834 N ILE A 55 -9.719 -7.720 4.201 1.00 0.00 N ATOM 835 CA ILE A 55 -10.288 -6.400 3.959 1.00 0.00 C ATOM 836 C ILE A 55 -11.608 -6.501 3.202 1.00 0.00 C ATOM 837 O ILE A 55 -12.045 -7.594 2.838 1.00 0.00 O ATOM 838 CB ILE A 55 -9.319 -5.507 3.161 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.872 -5.942 3.404 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.510 -4.047 3.542 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.379 -6.978 2.418 1.00 0.00 C ATOM 0 H ILE A 55 -9.643 -8.306 3.369 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.465 -5.949 4.935 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.538 -5.617 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.225 -5.067 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.786 -6.343 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.819 -3.428 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.534 -3.745 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.315 -3.920 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.347 -7.239 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.003 -7.869 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.432 -6.573 1.408 1.00 0.00 H new ATOM 853 N ASP A 56 -12.237 -5.356 2.966 1.00 0.00 N ATOM 854 CA ASP A 56 -13.507 -5.314 2.249 1.00 0.00 C ATOM 855 C ASP A 56 -13.334 -4.676 0.874 1.00 0.00 C ATOM 856 O ASP A 56 -14.269 -4.088 0.329 1.00 0.00 O ATOM 857 CB ASP A 56 -14.548 -4.540 3.057 1.00 0.00 C ATOM 858 CG ASP A 56 -15.119 -5.357 4.200 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.763 -6.392 3.925 1.00 0.00 O ATOM 860 OD2 ASP A 56 -14.922 -4.963 5.368 1.00 0.00 O ATOM 0 H ASP A 56 -11.889 -4.444 3.260 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.853 -6.339 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.094 -3.632 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.358 -4.228 2.397 1.00 0.00 H new ATOM 865 N TYR A 57 -12.133 -4.793 0.320 1.00 0.00 N ATOM 866 CA TYR A 57 -11.836 -4.224 -0.990 1.00 0.00 C ATOM 867 C TYR A 57 -12.868 -4.666 -2.022 1.00 0.00 C ATOM 868 O TYR A 57 -13.064 -4.008 -3.044 1.00 0.00 O ATOM 869 CB TYR A 57 -10.435 -4.638 -1.443 1.00 0.00 C ATOM 870 CG TYR A 57 -9.993 -3.972 -2.727 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.531 -4.351 -3.950 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.037 -2.963 -2.716 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.129 -3.746 -5.125 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.631 -2.352 -3.886 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.179 -2.747 -5.088 1.00 0.00 C ATOM 876 OH TYR A 57 -8.778 -2.141 -6.256 1.00 0.00 O ATOM 0 H TYR A 57 -11.349 -5.277 0.757 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.877 -3.138 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.722 -4.398 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.410 -5.719 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.276 -5.132 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.604 -2.652 -1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.557 -4.054 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.888 -1.569 -3.860 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.516 -1.215 -6.071 1.00 0.00 H new ATOM 886 N LYS A 58 -13.528 -5.786 -1.747 1.00 0.00 N ATOM 887 CA LYS A 58 -14.543 -6.318 -2.649 1.00 0.00 C ATOM 888 C LYS A 58 -15.692 -5.329 -2.819 1.00 0.00 C ATOM 889 O LYS A 58 -16.348 -5.299 -3.860 1.00 0.00 O ATOM 890 CB LYS A 58 -15.078 -7.651 -2.119 1.00 0.00 C ATOM 891 CG LYS A 58 -15.923 -7.512 -0.865 1.00 0.00 C ATOM 892 CD LYS A 58 -15.992 -8.818 -0.092 1.00 0.00 C ATOM 893 CE LYS A 58 -17.164 -9.674 -0.547 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.468 -9.116 -0.094 1.00 0.00 N ATOM 0 H LYS A 58 -13.378 -6.343 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.079 -6.480 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.673 -8.129 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.238 -8.313 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.505 -6.733 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.930 -7.195 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.062 -9.371 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.086 -8.607 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.159 -9.748 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.047 -10.686 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.199 -9.854 -0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.382 -8.785 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.736 -8.319 -0.706 1.00 0.00 H new ATOM 908 N SER A 59 -15.928 -4.521 -1.791 1.00 0.00 N ATOM 909 CA SER A 59 -16.999 -3.532 -1.826 1.00 0.00 C ATOM 910 C SER A 59 -16.476 -2.151 -1.446 1.00 0.00 C ATOM 911 O SER A 59 -17.201 -1.335 -0.874 1.00 0.00 O ATOM 912 CB SER A 59 -18.130 -3.940 -0.880 1.00 0.00 C ATOM 913 OG SER A 59 -19.275 -3.127 -1.073 1.00 0.00 O ATOM 0 H SER A 59 -15.392 -4.532 -0.923 1.00 0.00 H new ATOM 0 HA SER A 59 -17.385 -3.487 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.390 -4.985 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.792 -3.858 0.153 1.00 0.00 H new ATOM 0 HG SER A 59 -19.011 -2.183 -1.063 1.00 0.00 H new ATOM 919 N LEU A 60 -15.213 -1.894 -1.767 1.00 0.00 N ATOM 920 CA LEU A 60 -14.590 -0.611 -1.460 1.00 0.00 C ATOM 921 C LEU A 60 -14.729 0.356 -2.631 1.00 0.00 C ATOM 922 O LEU A 60 -15.383 0.050 -3.627 1.00 0.00 O ATOM 923 CB LEU A 60 -13.112 -0.808 -1.118 1.00 0.00 C ATOM 924 CG LEU A 60 -12.806 -1.225 0.321 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.326 -1.051 0.623 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.650 -0.422 1.300 1.00 0.00 C ATOM 0 H LEU A 60 -14.600 -2.558 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.102 -0.184 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.702 -1.563 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.584 0.123 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.058 -2.279 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.127 -1.353 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.741 -1.670 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.048 -0.005 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.419 -0.732 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.430 0.639 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.707 -0.597 1.098 1.00 0.00 H new ATOM 938 N ASN A 61 -14.106 1.523 -2.505 1.00 0.00 N ATOM 939 CA ASN A 61 -14.158 2.535 -3.554 1.00 0.00 C ATOM 940 C ASN A 61 -13.237 3.706 -3.227 1.00 0.00 C ATOM 941 O ASN A 61 -12.853 3.924 -2.078 1.00 0.00 O ATOM 942 CB ASN A 61 -15.593 3.035 -3.738 1.00 0.00 C ATOM 943 CG ASN A 61 -16.397 2.156 -4.675 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.519 1.759 -4.362 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.824 1.847 -5.833 1.00 0.00 N ATOM 0 H ASN A 61 -13.559 1.791 -1.687 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.818 2.078 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.088 3.075 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.573 4.053 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.316 1.258 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.892 2.199 -6.051 1.00 0.00 H new ATOM 952 N PRO A 62 -12.873 4.479 -4.261 1.00 0.00 N ATOM 953 CA PRO A 62 -11.994 5.642 -4.109 1.00 0.00 C ATOM 954 C PRO A 62 -12.671 6.787 -3.363 1.00 0.00 C ATOM 955 O PRO A 62 -12.093 7.862 -3.204 1.00 0.00 O ATOM 956 CB PRO A 62 -11.691 6.049 -5.553 1.00 0.00 C ATOM 957 CG PRO A 62 -12.850 5.543 -6.340 1.00 0.00 C ATOM 958 CD PRO A 62 -13.294 4.279 -5.658 1.00 0.00 C ATOM 0 HA PRO A 62 -11.106 5.407 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.591 7.130 -5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.755 5.611 -5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.655 6.277 -6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.565 5.349 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.372 4.137 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.824 3.399 -6.097 1.00 0.00 H new ATOM 966 N GLN A 63 -13.897 6.549 -2.910 1.00 0.00 N ATOM 967 CA GLN A 63 -14.651 7.562 -2.181 1.00 0.00 C ATOM 968 C GLN A 63 -14.203 7.633 -0.725 1.00 0.00 C ATOM 969 O GLN A 63 -14.538 8.575 -0.007 1.00 0.00 O ATOM 970 CB GLN A 63 -16.150 7.261 -2.251 1.00 0.00 C ATOM 971 CG GLN A 63 -16.504 5.840 -1.846 1.00 0.00 C ATOM 972 CD GLN A 63 -15.983 5.478 -0.469 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.074 6.270 0.470 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.432 4.277 -0.340 1.00 0.00 N ATOM 0 H GLN A 63 -14.389 5.664 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.458 8.528 -2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.683 7.958 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.501 7.438 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.587 5.721 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.095 5.145 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.377 3.652 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.064 3.979 0.563 1.00 0.00 H new ATOM 983 N ASP A 64 -13.443 6.631 -0.296 1.00 0.00 N ATOM 984 CA ASP A 64 -12.948 6.580 1.074 1.00 0.00 C ATOM 985 C ASP A 64 -11.439 6.801 1.115 1.00 0.00 C ATOM 986 O ASP A 64 -10.668 5.983 0.610 1.00 0.00 O ATOM 987 CB ASP A 64 -13.296 5.236 1.715 1.00 0.00 C ATOM 988 CG ASP A 64 -14.662 5.245 2.374 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.108 6.331 2.799 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.285 4.166 2.463 1.00 0.00 O ATOM 0 H ASP A 64 -13.157 5.843 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.430 7.379 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.268 4.456 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.539 4.984 2.458 1.00 0.00 H new ATOM 995 N ILE A 65 -11.025 7.910 1.718 1.00 0.00 N ATOM 996 CA ILE A 65 -9.608 8.238 1.824 1.00 0.00 C ATOM 997 C ILE A 65 -9.055 7.846 3.190 1.00 0.00 C ATOM 998 O ILE A 65 -7.995 7.228 3.289 1.00 0.00 O ATOM 999 CB ILE A 65 -9.359 9.740 1.593 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -10.007 10.191 0.282 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.866 10.033 1.580 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.671 11.615 -0.100 1.00 0.00 C ATOM 0 H ILE A 65 -11.650 8.597 2.141 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.093 7.670 1.049 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.812 10.299 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.689 9.524 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.089 10.092 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.706 11.099 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.430 9.744 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.391 9.467 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.164 11.866 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.014 12.292 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.592 11.715 -0.219 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.780 8.210 4.243 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.364 7.895 5.604 1.00 0.00 C ATOM 1016 C LYS A 66 -9.584 6.417 5.912 1.00 0.00 C ATOM 1017 O LYS A 66 -8.671 5.725 6.360 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.135 8.756 6.607 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.681 8.571 8.044 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.554 9.354 9.011 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.313 10.851 8.892 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.256 11.633 9.738 1.00 0.00 N ATOM 0 H LYS A 66 -10.659 8.724 4.179 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.299 8.112 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.025 9.805 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.196 8.518 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.710 7.512 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.645 8.895 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.604 9.136 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.348 9.031 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.288 11.078 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.422 11.155 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.060 12.648 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.233 11.436 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.135 11.362 10.735 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.802 5.942 5.669 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.140 4.546 5.920 1.00 0.00 C ATOM 1038 C GLU A 67 -10.199 3.613 5.163 1.00 0.00 C ATOM 1039 O GLU A 67 -9.401 2.897 5.766 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.588 4.268 5.512 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.158 2.996 6.119 1.00 0.00 C ATOM 1042 CD GLU A 67 -13.831 3.239 7.456 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -14.711 4.121 7.527 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -13.476 2.545 8.433 1.00 0.00 O ATOM 0 H GLU A 67 -11.570 6.503 5.299 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.028 4.358 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.209 5.113 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.644 4.199 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.879 2.559 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.357 2.268 6.247 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.300 3.628 3.838 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.459 2.783 2.998 1.00 0.00 C ATOM 1053 C ASN A 68 -8.073 2.612 3.613 1.00 0.00 C ATOM 1054 O ASN A 68 -7.546 1.502 3.682 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.336 3.383 1.596 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.458 2.938 0.677 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.420 2.306 1.114 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.339 3.268 -0.604 1.00 0.00 N ATOM 0 H ASN A 68 -10.956 4.216 3.323 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.929 1.802 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.338 4.471 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.379 3.094 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.063 2.997 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.524 3.793 -0.922 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.488 3.719 4.058 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.164 3.692 4.668 1.00 0.00 C ATOM 1067 C ASN A 69 -6.197 2.968 6.010 1.00 0.00 C ATOM 1068 O ASN A 69 -5.331 2.145 6.306 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.637 5.116 4.857 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.895 5.625 3.636 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.673 5.774 3.657 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.632 5.894 2.565 1.00 0.00 N ATOM 0 H ASN A 69 -7.910 4.646 4.008 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.495 3.150 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.471 5.783 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.972 5.143 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.188 6.239 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.642 5.755 2.593 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.204 3.280 6.820 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.353 2.659 8.130 1.00 0.00 C ATOM 1081 C LYS A 70 -7.533 1.150 8.000 1.00 0.00 C ATOM 1082 O LYS A 70 -7.050 0.383 8.833 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.548 3.264 8.871 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.782 2.659 10.244 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.447 3.651 11.184 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.947 3.728 10.941 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.645 2.491 11.386 1.00 0.00 N ATOM 0 H LYS A 70 -7.929 3.960 6.591 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.444 2.851 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.393 4.338 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.445 3.130 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.407 1.771 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.831 2.336 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.259 3.358 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.004 4.637 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.357 4.587 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.135 3.889 9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.658 2.689 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.522 1.747 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.243 2.172 12.290 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.228 0.730 6.949 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.469 -0.687 6.707 1.00 0.00 C ATOM 1103 C LYS A 71 -7.154 -1.448 6.572 1.00 0.00 C ATOM 1104 O LYS A 71 -6.936 -2.454 7.246 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.311 -0.874 5.442 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.786 -0.573 5.643 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.646 -1.292 4.617 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.035 -1.586 5.163 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.096 -2.910 5.841 1.00 0.00 N ATOM 0 H LYS A 71 -8.635 1.352 6.250 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.014 -1.088 7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.920 -0.227 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.203 -1.901 5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.086 -0.874 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.952 0.502 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.729 -0.681 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.163 -2.225 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.322 -0.804 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.758 -1.562 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.954 -3.415 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.257 -3.469 5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.120 -2.772 6.871 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.280 -0.960 5.697 1.00 0.00 N ATOM 1124 CA ALA A 72 -4.985 -1.591 5.476 1.00 0.00 C ATOM 1125 C ALA A 72 -4.210 -1.723 6.782 1.00 0.00 C ATOM 1126 O ALA A 72 -4.086 -2.816 7.335 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.178 -0.800 4.458 1.00 0.00 C ATOM 0 H ALA A 72 -6.446 -0.129 5.129 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.159 -2.593 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.213 -1.283 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.721 -0.762 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.021 0.214 4.827 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.688 -0.603 7.271 1.00 0.00 N ATOM 1134 CA TYR A 73 -2.921 -0.594 8.511 1.00 0.00 C ATOM 1135 C TYR A 73 -3.472 -1.617 9.500 1.00 0.00 C ATOM 1136 O TYR A 73 -2.732 -2.444 10.032 1.00 0.00 O ATOM 1137 CB TYR A 73 -2.943 0.801 9.138 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.723 1.916 8.141 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.777 1.795 7.131 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.461 3.091 8.210 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.573 2.812 6.218 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.265 4.113 7.301 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.319 3.969 6.307 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.119 4.984 5.401 1.00 0.00 O ATOM 0 H TYR A 73 -3.782 0.311 6.827 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.892 -0.863 8.274 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.902 0.952 9.634 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.174 0.856 9.908 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.191 0.891 7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.201 3.208 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.833 2.702 5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.849 5.019 7.368 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.897 5.052 4.809 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.777 -1.555 9.739 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.430 -2.476 10.662 1.00 0.00 C ATOM 1156 C ASP A 74 -5.032 -3.918 10.363 1.00 0.00 C ATOM 1157 O ASP A 74 -4.699 -4.681 11.268 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.950 -2.325 10.578 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.681 -3.354 11.417 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.230 -3.625 12.549 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.705 -3.889 10.941 1.00 0.00 O ATOM 0 H ASP A 74 -5.404 -0.877 9.306 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.104 -2.230 11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.232 -1.325 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.265 -2.418 9.539 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.071 -4.284 9.085 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.714 -5.634 8.690 1.00 0.00 C ATOM 1168 C GLY A 75 -3.213 -5.841 8.624 1.00 0.00 C ATOM 1169 O GLY A 75 -2.680 -6.768 9.233 1.00 0.00 O ATOM 0 H GLY A 75 -5.343 -3.670 8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.145 -6.342 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.151 -5.852 7.715 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.531 -4.976 7.881 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.083 -5.070 7.736 1.00 0.00 C ATOM 1175 C PHE A 76 -0.406 -5.198 9.097 1.00 0.00 C ATOM 1176 O PHE A 76 0.327 -6.153 9.351 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.542 -3.843 6.998 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.855 -3.840 5.529 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.596 -4.957 4.751 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.407 -2.721 4.927 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.882 -4.958 3.398 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.696 -2.717 3.575 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.432 -3.836 2.810 1.00 0.00 C ATOM 0 H PHE A 76 -2.957 -4.203 7.370 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.859 -5.964 7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.958 -2.943 7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.539 -3.796 7.131 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.166 -5.837 5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.614 -1.842 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.676 -5.835 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.128 -1.839 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.655 -3.834 1.753 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.659 -4.228 9.970 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.076 -4.232 11.306 1.00 0.00 C ATOM 1195 C ALA A 77 -0.561 -5.431 12.113 1.00 0.00 C ATOM 1196 O ALA A 77 -0.022 -5.734 13.178 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.410 -2.936 12.031 1.00 0.00 C ATOM 0 H ALA A 77 -1.264 -3.430 9.776 1.00 0.00 H new ATOM 0 HA ALA A 77 1.006 -4.310 11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.031 -2.952 13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.009 -2.092 11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.492 -2.835 12.115 1.00 0.00 H new ATOM 1203 N SER A 78 -1.581 -6.111 11.599 1.00 0.00 N ATOM 1204 CA SER A 78 -2.141 -7.276 12.274 1.00 0.00 C ATOM 1205 C SER A 78 -1.155 -8.440 12.257 1.00 0.00 C ATOM 1206 O SER A 78 -1.042 -9.187 13.230 1.00 0.00 O ATOM 1207 CB SER A 78 -3.454 -7.694 11.610 1.00 0.00 C ATOM 1208 OG SER A 78 -4.296 -8.372 12.527 1.00 0.00 O ATOM 0 H SER A 78 -2.036 -5.875 10.717 1.00 0.00 H new ATOM 0 HA SER A 78 -2.337 -7.005 13.311 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.967 -6.813 11.224 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.245 -8.340 10.758 1.00 0.00 H new ATOM 0 HG SER A 78 -5.129 -8.627 12.079 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.444 -8.589 11.144 1.00 0.00 N ATOM 1215 CA ILE A 79 0.533 -9.661 11.000 1.00 0.00 C ATOM 1216 C ILE A 79 1.863 -9.283 11.643 1.00 0.00 C ATOM 1217 O ILE A 79 2.649 -10.150 12.022 1.00 0.00 O ATOM 1218 CB ILE A 79 0.772 -10.008 9.518 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.905 -8.730 8.687 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.359 -10.876 8.988 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.509 -8.959 7.319 1.00 0.00 C ATOM 0 H ILE A 79 -0.526 -7.981 10.329 1.00 0.00 H new ATOM 0 HA ILE A 79 0.122 -10.533 11.508 1.00 0.00 H new ATOM 0 HB ILE A 79 1.703 -10.569 9.437 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.080 -8.279 8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.521 -8.014 9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.176 -11.113 7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.410 -11.799 9.565 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.303 -10.339 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.573 -8.010 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.508 -9.382 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.882 -9.650 6.756 1.00 0.00 H new ATOM 1233 N GLY A 80 2.107 -7.982 11.764 1.00 0.00 N ATOM 1234 CA GLY A 80 3.342 -7.512 12.364 1.00 0.00 C ATOM 1235 C GLY A 80 3.993 -6.405 11.559 1.00 0.00 C ATOM 1236 O GLY A 80 5.217 -6.271 11.551 1.00 0.00 O ATOM 0 H GLY A 80 1.472 -7.245 11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.138 -7.152 13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.037 -8.346 12.458 1.00 0.00 H new ATOM 1240 N ILE A 81 3.174 -5.610 10.878 1.00 0.00 N ATOM 1241 CA ILE A 81 3.678 -4.510 10.065 1.00 0.00 C ATOM 1242 C ILE A 81 3.433 -3.167 10.745 1.00 0.00 C ATOM 1243 O ILE A 81 2.343 -2.603 10.652 1.00 0.00 O ATOM 1244 CB ILE A 81 3.023 -4.494 8.671 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.304 -5.807 7.937 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.530 -3.310 7.862 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.496 -5.975 6.669 1.00 0.00 C ATOM 0 H ILE A 81 2.159 -5.707 10.873 1.00 0.00 H new ATOM 0 HA ILE A 81 4.751 -4.667 9.952 1.00 0.00 H new ATOM 0 HB ILE A 81 1.945 -4.391 8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.365 -5.857 7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.092 -6.641 8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.058 -3.312 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.284 -2.383 8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.611 -3.385 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.746 -6.927 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.433 -5.957 6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.726 -5.161 5.981 1.00 0.00 H new ATOM 1259 N SER A 82 4.454 -2.660 11.428 1.00 0.00 N ATOM 1260 CA SER A 82 4.349 -1.384 12.125 1.00 0.00 C ATOM 1261 C SER A 82 3.805 -0.301 11.198 1.00 0.00 C ATOM 1262 O SER A 82 4.396 -0.003 10.160 1.00 0.00 O ATOM 1263 CB SER A 82 5.715 -0.964 12.672 1.00 0.00 C ATOM 1264 OG SER A 82 5.932 -1.497 13.967 1.00 0.00 O ATOM 0 H SER A 82 5.364 -3.114 11.514 1.00 0.00 H new ATOM 0 HA SER A 82 3.655 -1.508 12.956 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.501 -1.306 11.998 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.777 0.124 12.708 1.00 0.00 H new ATOM 0 HG SER A 82 6.812 -1.216 14.293 1.00 0.00 H new ATOM 1270 N ARG A 83 2.675 0.283 11.581 1.00 0.00 N ATOM 1271 CA ARG A 83 2.049 1.332 10.785 1.00 0.00 C ATOM 1272 C ARG A 83 2.754 2.669 10.996 1.00 0.00 C ATOM 1273 O ARG A 83 2.906 3.131 12.128 1.00 0.00 O ATOM 1274 CB ARG A 83 0.568 1.461 11.145 1.00 0.00 C ATOM 1275 CG ARG A 83 0.326 1.826 12.601 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.095 1.494 13.029 1.00 0.00 C ATOM 1277 NE ARG A 83 -1.365 1.914 14.401 1.00 0.00 N ATOM 1278 CZ ARG A 83 -1.589 3.175 14.754 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -1.574 4.135 13.839 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.828 3.478 16.023 1.00 0.00 N ATOM 0 H ARG A 83 2.174 0.048 12.438 1.00 0.00 H new ATOM 0 HA ARG A 83 2.137 1.057 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.112 2.219 10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.066 0.518 10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.033 1.290 13.234 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.512 2.890 12.746 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.800 1.981 12.355 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.259 0.420 12.940 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.383 1.200 15.129 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.390 3.906 12.862 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.746 5.103 14.112 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.840 2.742 16.729 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.000 4.447 16.292 1.00 0.00 H new ATOM 1294 N LEU A 84 3.183 3.286 9.900 1.00 0.00 N ATOM 1295 CA LEU A 84 3.872 4.570 9.965 1.00 0.00 C ATOM 1296 C LEU A 84 2.959 5.702 9.506 1.00 0.00 C ATOM 1297 O LEU A 84 2.763 6.685 10.221 1.00 0.00 O ATOM 1298 CB LEU A 84 5.135 4.537 9.104 1.00 0.00 C ATOM 1299 CG LEU A 84 6.102 3.383 9.374 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.275 3.431 8.407 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.594 3.426 10.814 1.00 0.00 C ATOM 0 H LEU A 84 3.066 2.918 8.956 1.00 0.00 H new ATOM 0 HA LEU A 84 4.152 4.752 11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.836 4.496 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.672 5.475 9.246 1.00 0.00 H new ATOM 0 HG LEU A 84 5.569 2.445 9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.952 2.602 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.907 3.351 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.808 4.374 8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.281 2.598 10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.109 4.369 10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.744 3.342 11.491 1.00 0.00 H new ATOM 1313 N LEU A 85 2.401 5.556 8.309 1.00 0.00 N ATOM 1314 CA LEU A 85 1.505 6.565 7.754 1.00 0.00 C ATOM 1315 C LEU A 85 0.148 6.529 8.448 1.00 0.00 C ATOM 1316 O LEU A 85 -0.248 5.506 9.006 1.00 0.00 O ATOM 1317 CB LEU A 85 1.328 6.346 6.250 1.00 0.00 C ATOM 1318 CG LEU A 85 0.698 7.503 5.474 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.591 8.732 5.529 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.436 7.096 4.031 1.00 0.00 C ATOM 0 H LEU A 85 2.553 4.749 7.704 1.00 0.00 H new ATOM 0 HA LEU A 85 1.952 7.545 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.305 6.133 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.713 5.458 6.102 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.255 7.752 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.126 9.545 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.728 9.036 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.560 8.498 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.013 7.931 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.377 6.820 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.244 6.244 4.011 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.562 7.653 8.406 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.877 7.748 9.031 1.00 0.00 C ATOM 1334 C GLU A 86 -2.964 7.957 7.980 1.00 0.00 C ATOM 1335 O GLU A 86 -2.774 8.654 6.983 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.903 8.896 10.042 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.952 8.699 11.211 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.201 9.683 12.337 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.327 9.698 12.876 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.268 10.439 12.680 1.00 0.00 O ATOM 0 H GLU A 86 -0.250 8.509 7.947 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.073 6.810 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.650 9.825 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.917 9.009 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.056 7.683 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.075 8.805 10.861 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.132 7.337 8.207 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.273 7.439 7.293 1.00 0.00 C ATOM 1349 C PRO A 87 -5.897 8.830 7.298 1.00 0.00 C ATOM 1350 O PRO A 87 -6.210 9.384 6.244 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.261 6.407 7.842 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.915 6.283 9.286 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.428 6.490 9.375 1.00 0.00 C ATOM 0 HA PRO A 87 -4.983 7.262 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.292 6.736 7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.162 5.451 7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.448 7.025 9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.196 5.303 9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.145 6.978 10.308 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.887 5.545 9.333 1.00 0.00 H new ATOM 1361 N SER A 88 -6.077 9.389 8.490 1.00 0.00 N ATOM 1362 CA SER A 88 -6.667 10.714 8.632 1.00 0.00 C ATOM 1363 C SER A 88 -5.763 11.781 8.022 1.00 0.00 C ATOM 1364 O SER A 88 -6.232 12.697 7.346 1.00 0.00 O ATOM 1365 CB SER A 88 -6.921 11.028 10.108 1.00 0.00 C ATOM 1366 OG SER A 88 -7.808 10.086 10.684 1.00 0.00 O ATOM 0 H SER A 88 -5.822 8.944 9.372 1.00 0.00 H new ATOM 0 HA SER A 88 -7.617 10.719 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.976 11.023 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.338 12.031 10.203 1.00 0.00 H new ATOM 0 HG SER A 88 -7.953 10.307 11.628 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.463 11.654 8.265 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.490 12.605 7.740 1.00 0.00 C ATOM 1374 C ASP A 89 -3.715 12.845 6.250 1.00 0.00 C ATOM 1375 O ASP A 89 -3.684 13.983 5.783 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.068 12.097 7.979 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.522 12.516 9.330 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.185 12.234 10.351 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.433 13.125 9.366 1.00 0.00 O ATOM 0 H ASP A 89 -4.059 10.902 8.822 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.622 13.551 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.057 11.009 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.414 12.474 7.193 1.00 0.00 H new ATOM 1384 N MET A 90 -3.939 11.764 5.509 1.00 0.00 N ATOM 1385 CA MET A 90 -4.169 11.858 4.072 1.00 0.00 C ATOM 1386 C MET A 90 -5.275 12.862 3.763 1.00 0.00 C ATOM 1387 O MET A 90 -5.168 13.646 2.820 1.00 0.00 O ATOM 1388 CB MET A 90 -4.535 10.486 3.502 1.00 0.00 C ATOM 1389 CG MET A 90 -3.498 9.412 3.790 1.00 0.00 C ATOM 1390 SD MET A 90 -2.077 9.504 2.685 1.00 0.00 S ATOM 1391 CE MET A 90 -2.105 7.867 1.960 1.00 0.00 C ATOM 0 H MET A 90 -3.966 10.814 5.880 1.00 0.00 H new ATOM 0 HA MET A 90 -3.248 12.204 3.603 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.494 10.174 3.916 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.666 10.573 2.423 1.00 0.00 H new ATOM 0 HG2 MET A 90 -3.158 9.508 4.821 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.962 8.430 3.697 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.414 7.830 1.118 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.805 7.133 2.708 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.113 7.640 1.612 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.336 12.831 4.562 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.462 13.739 4.373 1.00 0.00 C ATOM 1403 C VAL A 91 -7.091 15.164 4.770 1.00 0.00 C ATOM 1404 O VAL A 91 -7.315 16.109 4.013 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.687 13.292 5.192 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.906 14.124 4.827 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.958 11.811 4.979 1.00 0.00 C ATOM 0 H VAL A 91 -6.440 12.187 5.346 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.715 13.714 3.313 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.473 13.450 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.762 13.794 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.705 15.175 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.126 14.001 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.827 11.512 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.151 11.625 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.090 11.233 5.296 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.522 15.311 5.962 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.119 16.621 6.460 1.00 0.00 C ATOM 1419 C LEU A 92 -5.453 17.441 5.360 1.00 0.00 C ATOM 1420 O LEU A 92 -5.995 18.452 4.911 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.163 16.466 7.645 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.660 15.593 8.798 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.625 15.539 9.911 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.988 16.114 9.327 1.00 0.00 C ATOM 0 H LEU A 92 -6.330 14.539 6.601 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.015 17.148 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.225 16.049 7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.938 17.458 8.037 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.813 14.581 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.996 14.913 10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.697 15.119 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.440 16.546 10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.327 15.481 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.861 17.135 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.729 16.100 8.528 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.278 16.998 4.928 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.538 17.690 3.877 1.00 0.00 C ATOM 1438 C LEU A 93 -4.021 17.258 2.497 1.00 0.00 C ATOM 1439 O LEU A 93 -4.969 16.483 2.374 1.00 0.00 O ATOM 1440 CB LEU A 93 -2.040 17.415 4.016 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.624 15.944 4.008 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.863 15.329 2.638 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.163 15.801 4.411 1.00 0.00 C ATOM 0 H LEU A 93 -3.816 16.163 5.289 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.716 18.760 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.521 17.923 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.693 17.865 4.946 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.235 15.409 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.561 14.282 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.922 15.398 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.278 15.866 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.116 14.747 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.464 16.350 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.021 16.203 5.414 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.361 17.762 1.460 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.719 17.425 0.088 1.00 0.00 C ATOM 1457 C ALA A 94 -2.905 16.239 -0.417 1.00 0.00 C ATOM 1458 O ALA A 94 -3.444 15.155 -0.643 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.521 18.629 -0.821 1.00 0.00 C ATOM 0 H ALA A 94 -2.575 18.406 1.544 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.772 17.142 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.792 18.362 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.152 19.450 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.476 18.939 -0.792 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.605 16.451 -0.591 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.716 15.399 -1.069 1.00 0.00 C ATOM 1467 C ILE A 95 0.242 14.949 0.028 1.00 0.00 C ATOM 1468 O ILE A 95 0.903 15.758 0.680 1.00 0.00 O ATOM 1469 CB ILE A 95 0.100 15.862 -2.290 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.833 16.374 -3.390 1.00 0.00 C ATOM 1471 CG2 ILE A 95 0.966 14.725 -2.810 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.695 15.293 -4.003 1.00 0.00 C ATOM 0 H ILE A 95 -1.144 17.342 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.348 14.561 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 95 0.753 16.679 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.477 17.150 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.236 16.839 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.537 15.068 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.652 14.402 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.331 13.889 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.330 15.728 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.058 14.528 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.319 14.843 -3.230 1.00 0.00 H new ATOM 1484 N PRO A 96 0.323 13.626 0.238 1.00 0.00 N ATOM 1485 CA PRO A 96 1.201 13.038 1.254 1.00 0.00 C ATOM 1486 C PRO A 96 2.676 13.170 0.892 1.00 0.00 C ATOM 1487 O PRO A 96 3.021 13.706 -0.161 1.00 0.00 O ATOM 1488 CB PRO A 96 0.784 11.565 1.272 1.00 0.00 C ATOM 1489 CG PRO A 96 0.216 11.315 -0.082 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.436 12.604 -0.502 1.00 0.00 C ATOM 0 HA PRO A 96 1.100 13.536 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.636 10.915 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.048 11.372 2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.997 11.025 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.509 10.501 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.370 12.756 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.494 12.623 -0.242 1.00 0.00 H new ATOM 1498 N ASP A 97 3.542 12.677 1.771 1.00 0.00 N ATOM 1499 CA ASP A 97 4.981 12.738 1.543 1.00 0.00 C ATOM 1500 C ASP A 97 5.485 11.450 0.900 1.00 0.00 C ATOM 1501 O ASP A 97 5.629 10.425 1.567 1.00 0.00 O ATOM 1502 CB ASP A 97 5.717 12.987 2.861 1.00 0.00 C ATOM 1503 CG ASP A 97 5.897 14.464 3.154 1.00 0.00 C ATOM 1504 OD1 ASP A 97 5.068 15.268 2.679 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.867 14.816 3.857 1.00 0.00 O ATOM 0 H ASP A 97 3.272 12.231 2.648 1.00 0.00 H new ATOM 0 HA ASP A 97 5.181 13.565 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.163 12.523 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.694 12.505 2.825 1.00 0.00 H new ATOM 1510 N LYS A 98 5.751 11.509 -0.400 1.00 0.00 N ATOM 1511 CA LYS A 98 6.239 10.348 -1.135 1.00 0.00 C ATOM 1512 C LYS A 98 7.293 9.597 -0.328 1.00 0.00 C ATOM 1513 O LYS A 98 7.264 8.369 -0.241 1.00 0.00 O ATOM 1514 CB LYS A 98 6.824 10.780 -2.481 1.00 0.00 C ATOM 1515 CG LYS A 98 7.091 9.623 -3.428 1.00 0.00 C ATOM 1516 CD LYS A 98 8.029 10.027 -4.553 1.00 0.00 C ATOM 1517 CE LYS A 98 9.486 9.932 -4.125 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.968 11.200 -3.512 1.00 0.00 N ATOM 0 H LYS A 98 5.637 12.349 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 98 5.396 9.679 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.137 11.478 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.756 11.318 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.524 8.791 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.149 9.271 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.860 9.385 -5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.806 11.047 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.602 9.116 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.103 9.689 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.932 11.403 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.336 11.979 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.974 11.105 -2.476 1.00 0.00 H new ATOM 1532 N LEU A 99 8.222 10.342 0.261 1.00 0.00 N ATOM 1533 CA LEU A 99 9.285 9.746 1.063 1.00 0.00 C ATOM 1534 C LEU A 99 8.707 8.838 2.145 1.00 0.00 C ATOM 1535 O LEU A 99 9.089 7.673 2.263 1.00 0.00 O ATOM 1536 CB LEU A 99 10.141 10.840 1.703 1.00 0.00 C ATOM 1537 CG LEU A 99 10.885 11.762 0.737 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.389 13.000 1.461 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.039 11.022 0.075 1.00 0.00 C ATOM 0 H LEU A 99 8.261 11.359 0.198 1.00 0.00 H new ATOM 0 HA LEU A 99 9.910 9.143 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.499 11.452 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.873 10.365 2.356 1.00 0.00 H new ATOM 0 HG LEU A 99 10.189 12.079 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.916 13.644 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.544 13.542 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.069 12.703 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.557 11.694 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.735 10.675 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.653 10.167 -0.479 1.00 0.00 H new ATOM 1551 N THR A 100 7.782 9.378 2.932 1.00 0.00 N ATOM 1552 CA THR A 100 7.151 8.618 4.003 1.00 0.00 C ATOM 1553 C THR A 100 6.453 7.377 3.458 1.00 0.00 C ATOM 1554 O THR A 100 6.872 6.250 3.721 1.00 0.00 O ATOM 1555 CB THR A 100 6.128 9.474 4.772 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.759 10.654 5.280 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.517 8.685 5.921 1.00 0.00 C ATOM 0 H THR A 100 7.453 10.340 2.847 1.00 0.00 H new ATOM 0 HA THR A 100 7.945 8.315 4.686 1.00 0.00 H new ATOM 0 HB THR A 100 5.333 9.756 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.101 11.193 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.797 9.310 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.012 7.803 5.528 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.304 8.376 6.609 1.00 0.00 H new ATOM 1565 N VAL A 101 5.384 7.592 2.697 1.00 0.00 N ATOM 1566 CA VAL A 101 4.628 6.491 2.113 1.00 0.00 C ATOM 1567 C VAL A 101 5.556 5.382 1.630 1.00 0.00 C ATOM 1568 O VAL A 101 5.491 4.251 2.111 1.00 0.00 O ATOM 1569 CB VAL A 101 3.760 6.969 0.933 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.013 5.799 0.312 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.792 8.050 1.389 1.00 0.00 C ATOM 0 H VAL A 101 5.022 8.519 2.471 1.00 0.00 H new ATOM 0 HA VAL A 101 3.979 6.102 2.898 1.00 0.00 H new ATOM 0 HB VAL A 101 4.413 7.396 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.405 6.156 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.729 5.062 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.369 5.340 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.187 8.376 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.142 7.651 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.353 8.898 1.783 1.00 0.00 H new ATOM 1581 N MET A 102 6.420 5.714 0.677 1.00 0.00 N ATOM 1582 CA MET A 102 7.363 4.745 0.130 1.00 0.00 C ATOM 1583 C MET A 102 8.026 3.943 1.245 1.00 0.00 C ATOM 1584 O MET A 102 8.157 2.722 1.153 1.00 0.00 O ATOM 1585 CB MET A 102 8.430 5.456 -0.706 1.00 0.00 C ATOM 1586 CG MET A 102 7.935 5.897 -2.074 1.00 0.00 C ATOM 1587 SD MET A 102 9.276 6.409 -3.165 1.00 0.00 S ATOM 1588 CE MET A 102 9.743 4.839 -3.889 1.00 0.00 C ATOM 0 H MET A 102 6.487 6.646 0.267 1.00 0.00 H new ATOM 0 HA MET A 102 6.809 4.057 -0.509 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.787 6.329 -0.159 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.283 4.790 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.386 5.078 -2.539 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.234 6.723 -1.954 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.820 4.700 -3.794 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.226 4.031 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.468 4.829 -4.944 1.00 0.00 H new ATOM 1598 N THR A 103 8.445 4.636 2.299 1.00 0.00 N ATOM 1599 CA THR A 103 9.095 3.988 3.431 1.00 0.00 C ATOM 1600 C THR A 103 8.203 2.911 4.035 1.00 0.00 C ATOM 1601 O THR A 103 8.668 1.821 4.371 1.00 0.00 O ATOM 1602 CB THR A 103 9.464 5.007 4.526 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.265 6.056 3.970 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.219 4.333 5.661 1.00 0.00 C ATOM 0 H THR A 103 8.346 5.647 2.392 1.00 0.00 H new ATOM 0 HA THR A 103 10.007 3.528 3.050 1.00 0.00 H new ATOM 0 HB THR A 103 8.541 5.428 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.685 6.714 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.469 5.073 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.595 3.555 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.135 3.887 5.274 1.00 0.00 H new ATOM 1612 N TYR A 104 6.918 3.221 4.171 1.00 0.00 N ATOM 1613 CA TYR A 104 5.960 2.279 4.737 1.00 0.00 C ATOM 1614 C TYR A 104 5.746 1.092 3.802 1.00 0.00 C ATOM 1615 O TYR A 104 5.819 -0.064 4.220 1.00 0.00 O ATOM 1616 CB TYR A 104 4.626 2.976 5.008 1.00 0.00 C ATOM 1617 CG TYR A 104 3.590 2.077 5.644 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.885 1.347 6.789 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.317 1.959 5.102 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.943 0.523 7.373 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.367 1.139 5.681 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.685 0.423 6.816 1.00 0.00 C ATOM 1623 OH TYR A 104 0.743 -0.395 7.396 1.00 0.00 O ATOM 0 H TYR A 104 6.516 4.118 3.897 1.00 0.00 H new ATOM 0 HA TYR A 104 6.366 1.909 5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.799 3.833 5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.231 3.363 4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.868 1.425 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.065 2.518 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.190 -0.040 8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.381 1.059 5.247 1.00 0.00 H new ATOM 0 HH TYR A 104 0.903 -0.444 8.362 1.00 0.00 H new ATOM 1633 N LEU A 105 5.481 1.387 2.534 1.00 0.00 N ATOM 1634 CA LEU A 105 5.256 0.345 1.538 1.00 0.00 C ATOM 1635 C LEU A 105 6.355 -0.711 1.596 1.00 0.00 C ATOM 1636 O LEU A 105 6.080 -1.899 1.765 1.00 0.00 O ATOM 1637 CB LEU A 105 5.195 0.957 0.137 1.00 0.00 C ATOM 1638 CG LEU A 105 3.812 1.401 -0.342 1.00 0.00 C ATOM 1639 CD1 LEU A 105 3.938 2.412 -1.471 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.992 0.200 -0.789 1.00 0.00 C ATOM 0 H LEU A 105 5.417 2.338 2.171 1.00 0.00 H new ATOM 0 HA LEU A 105 4.304 -0.136 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.861 1.819 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.587 0.229 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 105 3.296 1.879 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.944 2.717 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.487 3.285 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.473 1.960 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.011 0.534 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.504 -0.306 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.872 -0.490 0.046 1.00 0.00 H new ATOM 1652 N TYR A 106 7.600 -0.269 1.459 1.00 0.00 N ATOM 1653 CA TYR A 106 8.741 -1.177 1.496 1.00 0.00 C ATOM 1654 C TYR A 106 8.558 -2.238 2.576 1.00 0.00 C ATOM 1655 O TYR A 106 8.835 -3.417 2.356 1.00 0.00 O ATOM 1656 CB TYR A 106 10.032 -0.396 1.747 1.00 0.00 C ATOM 1657 CG TYR A 106 10.594 0.261 0.506 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.798 -0.470 -0.658 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.919 1.612 0.498 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.311 0.126 -1.794 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.431 2.216 -0.634 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.626 1.469 -1.777 1.00 0.00 C ATOM 1663 OH TYR A 106 12.136 2.066 -2.907 1.00 0.00 O ATOM 0 H TYR A 106 7.845 0.712 1.321 1.00 0.00 H new ATOM 0 HA TYR A 106 8.807 -1.676 0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.843 0.370 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.781 -1.071 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.551 -1.521 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.769 2.200 1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.465 -0.456 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.677 3.267 -0.624 1.00 0.00 H new ATOM 0 HH TYR A 106 12.303 3.015 -2.729 1.00 0.00 H new ATOM 1673 N GLN A 107 8.088 -1.811 3.744 1.00 0.00 N ATOM 1674 CA GLN A 107 7.868 -2.724 4.859 1.00 0.00 C ATOM 1675 C GLN A 107 6.960 -3.878 4.446 1.00 0.00 C ATOM 1676 O GLN A 107 7.333 -5.046 4.565 1.00 0.00 O ATOM 1677 CB GLN A 107 7.254 -1.976 6.044 1.00 0.00 C ATOM 1678 CG GLN A 107 8.115 -0.832 6.554 1.00 0.00 C ATOM 1679 CD GLN A 107 9.252 -1.307 7.438 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.257 -2.447 7.904 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.223 -0.433 7.674 1.00 0.00 N ATOM 0 H GLN A 107 7.852 -0.839 3.942 1.00 0.00 H new ATOM 0 HA GLN A 107 8.833 -3.133 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.280 -1.584 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.082 -2.681 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.524 -0.284 5.705 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.492 -0.134 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.178 0.501 7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.014 -0.696 8.262 1.00 0.00 H new ATOM 1690 N ILE A 108 5.770 -3.544 3.961 1.00 0.00 N ATOM 1691 CA ILE A 108 4.810 -4.553 3.529 1.00 0.00 C ATOM 1692 C ILE A 108 5.442 -5.525 2.538 1.00 0.00 C ATOM 1693 O ILE A 108 5.470 -6.733 2.771 1.00 0.00 O ATOM 1694 CB ILE A 108 3.570 -3.910 2.880 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.793 -3.092 3.914 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.680 -4.979 2.265 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.283 -1.668 4.050 1.00 0.00 C ATOM 0 H ILE A 108 5.447 -2.582 3.857 1.00 0.00 H new ATOM 0 HA ILE A 108 4.502 -5.097 4.422 1.00 0.00 H new ATOM 0 HB ILE A 108 3.900 -3.239 2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.739 -3.080 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.863 -3.586 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.808 -4.509 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.238 -5.523 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.355 -5.673 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.687 -1.148 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.329 -1.671 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.187 -1.157 3.092 1.00 0.00 H new ATOM 1709 N ARG A 109 5.951 -4.988 1.434 1.00 0.00 N ATOM 1710 CA ARG A 109 6.583 -5.807 0.408 1.00 0.00 C ATOM 1711 C ARG A 109 7.614 -6.750 1.023 1.00 0.00 C ATOM 1712 O ARG A 109 7.729 -7.907 0.621 1.00 0.00 O ATOM 1713 CB ARG A 109 7.253 -4.919 -0.643 1.00 0.00 C ATOM 1714 CG ARG A 109 8.121 -5.688 -1.626 1.00 0.00 C ATOM 1715 CD ARG A 109 9.262 -4.829 -2.151 1.00 0.00 C ATOM 1716 NE ARG A 109 10.364 -5.638 -2.663 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.297 -6.344 -3.787 1.00 0.00 C ATOM 1718 NH1 ARG A 109 9.187 -6.340 -4.511 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.343 -7.056 -4.188 1.00 0.00 N ATOM 0 H ARG A 109 5.938 -3.989 1.228 1.00 0.00 H new ATOM 0 HA ARG A 109 5.808 -6.405 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.483 -4.380 -1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.865 -4.172 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.526 -6.575 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.510 -6.033 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.891 -4.178 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.627 -4.183 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 109 11.233 -5.663 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.381 -5.794 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.139 -6.883 -5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.199 -7.062 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.291 -7.598 -5.051 1.00 0.00 H new ATOM 1733 N ALA A 110 8.360 -6.245 2.000 1.00 0.00 N ATOM 1734 CA ALA A 110 9.379 -7.042 2.672 1.00 0.00 C ATOM 1735 C ALA A 110 8.748 -8.161 3.493 1.00 0.00 C ATOM 1736 O ALA A 110 9.201 -9.306 3.453 1.00 0.00 O ATOM 1737 CB ALA A 110 10.243 -6.157 3.558 1.00 0.00 C ATOM 0 H ALA A 110 8.278 -5.288 2.344 1.00 0.00 H new ATOM 0 HA ALA A 110 10.009 -7.498 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.999 -6.766 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.731 -5.397 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.618 -5.673 4.309 1.00 0.00 H new ATOM 1743 N HIS A 111 7.701 -7.823 4.239 1.00 0.00 N ATOM 1744 CA HIS A 111 7.007 -8.800 5.071 1.00 0.00 C ATOM 1745 C HIS A 111 6.723 -10.077 4.286 1.00 0.00 C ATOM 1746 O HIS A 111 6.995 -11.181 4.758 1.00 0.00 O ATOM 1747 CB HIS A 111 5.700 -8.212 5.602 1.00 0.00 C ATOM 1748 CG HIS A 111 5.217 -8.866 6.860 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.422 -8.330 8.114 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.532 -10.018 7.052 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.887 -9.125 9.023 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.340 -10.156 8.405 1.00 0.00 N ATOM 0 H HIS A 111 7.315 -6.880 4.284 1.00 0.00 H new ATOM 0 HA HIS A 111 7.653 -9.048 5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 111 5.839 -7.147 5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 111 4.931 -8.305 4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.199 -10.701 6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.895 -8.960 10.090 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.854 -10.929 8.859 1.00 0.00 H new ATOM 1761 N PHE A 112 6.173 -9.919 3.087 1.00 0.00 N ATOM 1762 CA PHE A 112 5.850 -11.060 2.238 1.00 0.00 C ATOM 1763 C PHE A 112 7.054 -11.470 1.396 1.00 0.00 C ATOM 1764 O PHE A 112 7.544 -12.594 1.499 1.00 0.00 O ATOM 1765 CB PHE A 112 4.667 -10.725 1.326 1.00 0.00 C ATOM 1766 CG PHE A 112 3.364 -10.586 2.062 1.00 0.00 C ATOM 1767 CD1 PHE A 112 3.041 -9.404 2.708 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.463 -11.637 2.106 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.844 -9.274 3.386 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.264 -11.513 2.782 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.953 -10.329 3.422 1.00 0.00 C ATOM 0 H PHE A 112 5.942 -9.012 2.681 1.00 0.00 H new ATOM 0 HA PHE A 112 5.578 -11.895 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.878 -9.795 0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.568 -11.505 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.732 -8.575 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.700 -12.564 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.605 -8.348 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 112 0.571 -12.341 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.016 -10.228 3.949 1.00 0.00 H new