USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HE2:sc= -4.06 K(o=-4.1,f=-5.7!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= -0.0482 K(o=-2,f=-6!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -157:sc= -2! (180deg=-3.07!) USER MOD Set 3.1: A 60 HIS : no HD1:sc= -2.74! X(o=-2.7!,f=-2.3) USER MOD Set 3.2: A 73 THR OG1 : rot 160:sc= 0.0227 USER MOD Set 4.1: A 38 GLN :FLIP amide:sc= -0.347 F(o=-0.77,f=-0.17) USER MOD Set 4.2: A 42 LYS NZ :NH3+ -122:sc= 0.18 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 21:sc= 0.41 USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.701 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 158:sc= 1.4 USER MOD Single : A 45 SER OG : rot -20:sc= 0.563 USER MOD Single : A 47 ASN : amide:sc= -0.735 K(o=-0.73,f=-3.6!) USER MOD Single : A 48 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 38:sc= 0.293 USER MOD Single : A 54 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-3.6!) USER MOD Single : A 56 ASN : amide:sc= -0.707 K(o=-0.71,f=-3.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 170:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 69 TYR OH : rot -174:sc= 0.00101 USER MOD Single : A 71 CYS SG : rot 26:sc= -5.3! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.712! F(o=-1.5,f=-0.71!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0974 X(o=-0.097,f=0) USER MOD Single : A 95 THR OG1 : rot 61:sc= 1.13 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -25:sc= -0.767 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.0608 K(o=0.061,f=-1.3) USER MOD Single : A 103 THR OG1 : rot 49:sc= 1.07 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 166:sc= -1.57 (180deg=-2.55!) USER MOD Single : A 110 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.3) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -1.91 F(o=-3.1!,f=-1.9) USER MOD Single : A 124 HIS : no HD1:sc= -0.728 X(o=-0.73,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.868 6.665 6.788 1.00 0.00 N ATOM 94 CA ILE A 10 -2.537 6.355 5.403 1.00 0.00 C ATOM 95 C ILE A 10 -3.661 6.777 4.462 1.00 0.00 C ATOM 96 O ILE A 10 -4.837 6.524 4.729 1.00 0.00 O ATOM 97 CB ILE A 10 -2.261 4.852 5.212 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.113 4.404 6.120 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.939 4.553 3.756 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.570 3.935 7.484 1.00 0.00 C ATOM 0 HA ILE A 10 -1.634 6.915 5.162 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.157 4.295 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.567 3.597 5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.414 5.231 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.746 3.487 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.784 4.841 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.056 5.117 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.705 3.633 8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.090 4.747 7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.245 3.087 7.370 1.00 0.00 H new ATOM 112 N LEU A 11 -3.292 7.420 3.360 1.00 0.00 N ATOM 113 CA LEU A 11 -4.269 7.875 2.377 1.00 0.00 C ATOM 114 C LEU A 11 -4.268 6.971 1.148 1.00 0.00 C ATOM 115 O LEU A 11 -5.324 6.582 0.650 1.00 0.00 O ATOM 116 CB LEU A 11 -3.970 9.317 1.962 1.00 0.00 C ATOM 117 CG LEU A 11 -4.138 10.377 3.051 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.308 11.610 2.729 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.605 10.747 3.214 1.00 0.00 C ATOM 0 H LEU A 11 -2.324 7.638 3.125 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.256 7.832 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.945 9.363 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.621 9.576 1.127 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.782 9.961 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.440 12.353 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.256 11.334 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.632 12.028 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.705 11.503 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.987 11.143 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.175 9.861 3.493 1.00 0.00 H new ATOM 131 N PHE A 12 -3.075 6.638 0.666 1.00 0.00 N ATOM 132 CA PHE A 12 -2.937 5.777 -0.503 1.00 0.00 C ATOM 133 C PHE A 12 -2.300 4.443 -0.125 1.00 0.00 C ATOM 134 O PHE A 12 -1.247 4.404 0.510 1.00 0.00 O ATOM 135 CB PHE A 12 -2.094 6.471 -1.576 1.00 0.00 C ATOM 136 CG PHE A 12 -2.200 5.828 -2.929 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.178 6.227 -3.826 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.321 4.826 -3.305 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.278 5.637 -5.072 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.415 4.232 -4.550 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.395 4.639 -5.435 1.00 0.00 C ATOM 0 H PHE A 12 -2.191 6.951 1.066 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.933 5.584 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.404 7.513 -1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.050 6.471 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.870 7.008 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.553 4.505 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.046 5.956 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.724 3.451 -4.830 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.470 4.178 -6.409 1.00 0.00 H new ATOM 151 N ALA A 13 -2.948 3.352 -0.519 1.00 0.00 N ATOM 152 CA ALA A 13 -2.446 2.016 -0.222 1.00 0.00 C ATOM 153 C ALA A 13 -2.921 1.008 -1.263 1.00 0.00 C ATOM 154 O ALA A 13 -4.113 0.712 -1.357 1.00 0.00 O ATOM 155 CB ALA A 13 -2.882 1.585 1.170 1.00 0.00 C ATOM 0 H ALA A 13 -3.822 3.367 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.357 2.048 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.500 0.586 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.488 2.285 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.971 1.576 1.224 1.00 0.00 H new ATOM 161 N VAL A 14 -1.982 0.483 -2.044 1.00 0.00 N ATOM 162 CA VAL A 14 -2.305 -0.493 -3.078 1.00 0.00 C ATOM 163 C VAL A 14 -1.303 -1.642 -3.081 1.00 0.00 C ATOM 164 O VAL A 14 -0.173 -1.497 -2.613 1.00 0.00 O ATOM 165 CB VAL A 14 -2.329 0.156 -4.474 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.092 1.472 -4.439 1.00 0.00 C ATOM 167 CG2 VAL A 14 -0.913 0.366 -4.989 1.00 0.00 C ATOM 0 H VAL A 14 -0.991 0.717 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.298 -0.881 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.844 -0.517 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.098 1.916 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.117 1.290 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.608 2.155 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.949 0.826 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.370 1.018 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.403 -0.595 -5.055 1.00 0.00 H new ATOM 177 N VAL A 15 -1.724 -2.786 -3.611 1.00 0.00 N ATOM 178 CA VAL A 15 -0.863 -3.961 -3.677 1.00 0.00 C ATOM 179 C VAL A 15 -0.596 -4.366 -5.123 1.00 0.00 C ATOM 180 O VAL A 15 -1.526 -4.591 -5.897 1.00 0.00 O ATOM 181 CB VAL A 15 -1.484 -5.154 -2.927 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.544 -6.350 -2.954 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.825 -4.765 -1.497 1.00 0.00 C ATOM 0 H VAL A 15 -2.656 -2.924 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 15 0.079 -3.691 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.408 -5.437 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.000 -7.183 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.356 -6.642 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.398 -6.083 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.263 -5.620 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.918 -4.454 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.539 -3.941 -1.504 1.00 0.00 H new ATOM 193 N ALA A 16 0.681 -4.458 -5.479 1.00 0.00 N ATOM 194 CA ALA A 16 1.071 -4.838 -6.831 1.00 0.00 C ATOM 195 C ALA A 16 2.300 -5.740 -6.814 1.00 0.00 C ATOM 196 O ALA A 16 3.255 -5.489 -6.079 1.00 0.00 O ATOM 197 CB ALA A 16 1.334 -3.599 -7.674 1.00 0.00 C ATOM 0 H ALA A 16 1.463 -4.275 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 16 0.248 -5.397 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.624 -3.899 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.429 -2.993 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.137 -3.016 -7.223 1.00 0.00 H new ATOM 203 N ARG A 17 2.269 -6.790 -7.628 1.00 0.00 N ATOM 204 CA ARG A 17 3.381 -7.730 -7.705 1.00 0.00 C ATOM 205 C ARG A 17 4.015 -7.711 -9.093 1.00 0.00 C ATOM 206 O ARG A 17 3.360 -8.010 -10.090 1.00 0.00 O ATOM 207 CB ARG A 17 2.905 -9.145 -7.370 1.00 0.00 C ATOM 208 CG ARG A 17 1.933 -9.718 -8.389 1.00 0.00 C ATOM 209 CD ARG A 17 1.340 -11.035 -7.914 1.00 0.00 C ATOM 210 NE ARG A 17 2.278 -12.144 -8.064 1.00 0.00 N ATOM 211 CZ ARG A 17 2.550 -12.725 -9.227 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.957 -12.304 -10.336 1.00 0.00 N ATOM 213 NH2 ARG A 17 3.415 -13.729 -9.283 1.00 0.00 N ATOM 0 H ARG A 17 1.486 -7.011 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 17 4.132 -7.424 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.771 -9.803 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.428 -9.136 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.132 -9.002 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.447 -9.870 -9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.050 -10.945 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.433 -11.249 -8.479 1.00 0.00 H new ATOM 0 HE ARG A 17 2.750 -12.492 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.291 -11.533 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.167 -12.751 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.872 -14.056 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.623 -14.174 -10.177 1.00 0.00 H new ATOM 227 N GLY A 18 5.295 -7.355 -9.149 1.00 0.00 N ATOM 228 CA GLY A 18 5.996 -7.303 -10.418 1.00 0.00 C ATOM 229 C GLY A 18 5.293 -6.422 -11.432 1.00 0.00 C ATOM 230 O GLY A 18 4.736 -6.914 -12.414 1.00 0.00 O ATOM 0 H GLY A 18 5.859 -7.102 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.007 -6.930 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.089 -8.312 -10.820 1.00 0.00 H new ATOM 234 N THR A 19 5.316 -5.114 -11.195 1.00 0.00 N ATOM 235 CA THR A 19 4.674 -4.163 -12.093 1.00 0.00 C ATOM 236 C THR A 19 3.264 -4.615 -12.457 1.00 0.00 C ATOM 237 O THR A 19 2.862 -4.558 -13.619 1.00 0.00 O ATOM 238 CB THR A 19 5.489 -3.972 -13.386 1.00 0.00 C ATOM 239 OG1 THR A 19 5.720 -5.240 -14.010 1.00 0.00 O ATOM 240 CG2 THR A 19 6.819 -3.296 -13.092 1.00 0.00 C ATOM 0 H THR A 19 5.773 -4.689 -10.388 1.00 0.00 H new ATOM 0 HA THR A 19 4.622 -3.213 -11.561 1.00 0.00 H new ATOM 0 HB THR A 19 4.917 -3.334 -14.060 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.057 -5.887 -13.691 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.377 -3.172 -14.020 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.639 -2.319 -12.643 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.395 -3.912 -12.402 1.00 0.00 H new ATOM 248 N THR A 20 2.515 -5.065 -11.455 1.00 0.00 N ATOM 249 CA THR A 20 1.150 -5.528 -11.669 1.00 0.00 C ATOM 250 C THR A 20 0.284 -5.275 -10.440 1.00 0.00 C ATOM 251 O THR A 20 0.454 -5.922 -9.406 1.00 0.00 O ATOM 252 CB THR A 20 1.112 -7.029 -12.010 1.00 0.00 C ATOM 253 OG1 THR A 20 1.944 -7.295 -13.145 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.310 -7.483 -12.299 1.00 0.00 C ATOM 0 H THR A 20 2.831 -5.118 -10.487 1.00 0.00 H new ATOM 0 HA THR A 20 0.754 -4.962 -12.512 1.00 0.00 H new ATOM 0 HB THR A 20 1.485 -7.584 -11.149 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.886 -7.228 -12.883 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.311 -8.547 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.933 -7.307 -11.422 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.706 -6.921 -13.145 1.00 0.00 H new ATOM 262 N ILE A 21 -0.645 -4.333 -10.559 1.00 0.00 N ATOM 263 CA ILE A 21 -1.538 -3.997 -9.457 1.00 0.00 C ATOM 264 C ILE A 21 -2.742 -4.932 -9.422 1.00 0.00 C ATOM 265 O ILE A 21 -3.654 -4.819 -10.242 1.00 0.00 O ATOM 266 CB ILE A 21 -2.034 -2.543 -9.558 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.847 -1.578 -9.611 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.941 -2.210 -8.382 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.159 -0.275 -10.313 1.00 0.00 C ATOM 0 H ILE A 21 -0.799 -3.789 -11.408 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.964 -4.113 -8.538 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.608 -2.434 -10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.518 -1.364 -8.594 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.015 -2.065 -10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.284 -1.179 -8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.801 -2.880 -8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.389 -2.333 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.273 0.360 -10.313 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.460 -0.478 -11.341 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.970 0.234 -9.792 1.00 0.00 H new ATOM 281 N LEU A 22 -2.740 -5.854 -8.465 1.00 0.00 N ATOM 282 CA LEU A 22 -3.833 -6.809 -8.321 1.00 0.00 C ATOM 283 C LEU A 22 -5.039 -6.158 -7.650 1.00 0.00 C ATOM 284 O LEU A 22 -6.179 -6.359 -8.069 1.00 0.00 O ATOM 285 CB LEU A 22 -3.375 -8.020 -7.507 1.00 0.00 C ATOM 286 CG LEU A 22 -2.102 -8.713 -7.994 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.458 -9.502 -6.864 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.409 -9.623 -9.174 1.00 0.00 C ATOM 0 H LEU A 22 -1.994 -5.960 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.128 -7.139 -9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.220 -7.702 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.182 -8.752 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.398 -7.949 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.553 -9.988 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.202 -8.826 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.156 -10.258 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.492 -10.108 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.131 -10.381 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.825 -9.032 -9.990 1.00 0.00 H new ATOM 300 N ALA A 23 -4.779 -5.375 -6.608 1.00 0.00 N ATOM 301 CA ALA A 23 -5.842 -4.691 -5.882 1.00 0.00 C ATOM 302 C ALA A 23 -5.382 -3.320 -5.398 1.00 0.00 C ATOM 303 O ALA A 23 -4.386 -3.204 -4.684 1.00 0.00 O ATOM 304 CB ALA A 23 -6.309 -5.539 -4.707 1.00 0.00 C ATOM 0 H ALA A 23 -3.841 -5.199 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.679 -4.544 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.103 -5.016 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.686 -6.493 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.473 -5.715 -4.031 1.00 0.00 H new ATOM 310 N LYS A 24 -6.114 -2.283 -5.792 1.00 0.00 N ATOM 311 CA LYS A 24 -5.782 -0.919 -5.399 1.00 0.00 C ATOM 312 C LYS A 24 -6.980 -0.234 -4.748 1.00 0.00 C ATOM 313 O LYS A 24 -8.115 -0.380 -5.204 1.00 0.00 O ATOM 314 CB LYS A 24 -5.320 -0.114 -6.615 1.00 0.00 C ATOM 315 CG LYS A 24 -6.316 -0.117 -7.762 1.00 0.00 C ATOM 316 CD LYS A 24 -5.938 0.893 -8.832 1.00 0.00 C ATOM 317 CE LYS A 24 -7.137 1.276 -9.685 1.00 0.00 C ATOM 318 NZ LYS A 24 -7.890 2.421 -9.101 1.00 0.00 N ATOM 0 H LYS A 24 -6.941 -2.362 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.971 -0.964 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.134 0.916 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.371 -0.518 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.363 -1.113 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.312 0.111 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.525 1.785 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.156 0.476 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.800 1.537 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.801 0.417 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.700 2.652 -9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.233 2.164 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.264 3.248 -9.030 1.00 0.00 H new ATOM 332 N HIS A 25 -6.720 0.514 -3.680 1.00 0.00 N ATOM 333 CA HIS A 25 -7.777 1.223 -2.968 1.00 0.00 C ATOM 334 C HIS A 25 -7.219 2.444 -2.243 1.00 0.00 C ATOM 335 O HIS A 25 -6.496 2.315 -1.256 1.00 0.00 O ATOM 336 CB HIS A 25 -8.462 0.291 -1.969 1.00 0.00 C ATOM 337 CG HIS A 25 -9.296 1.010 -0.953 1.00 0.00 C ATOM 338 ND1 HIS A 25 -8.763 1.616 0.165 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.631 1.220 -0.892 1.00 0.00 C ATOM 340 CE1 HIS A 25 -9.735 2.166 0.871 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.879 1.940 0.251 1.00 0.00 N ATOM 0 H HIS A 25 -5.787 0.645 -3.289 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.511 1.561 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.093 -0.411 -2.514 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.703 -0.297 -1.453 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.773 1.636 0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.365 0.884 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.615 2.708 1.797 1.00 0.00 H new ATOM 350 N ALA A 26 -7.559 3.629 -2.741 1.00 0.00 N ATOM 351 CA ALA A 26 -7.093 4.872 -2.140 1.00 0.00 C ATOM 352 C ALA A 26 -8.249 5.841 -1.915 1.00 0.00 C ATOM 353 O ALA A 26 -9.341 5.653 -2.452 1.00 0.00 O ATOM 354 CB ALA A 26 -6.026 5.514 -3.014 1.00 0.00 C ATOM 0 H ALA A 26 -8.155 3.754 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.658 4.636 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.687 6.442 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.182 4.832 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.443 5.729 -3.998 1.00 0.00 H new ATOM 360 N TRP A 27 -8.002 6.875 -1.120 1.00 0.00 N ATOM 361 CA TRP A 27 -9.024 7.873 -0.824 1.00 0.00 C ATOM 362 C TRP A 27 -9.289 8.757 -2.038 1.00 0.00 C ATOM 363 O TRP A 27 -8.425 8.916 -2.902 1.00 0.00 O ATOM 364 CB TRP A 27 -8.597 8.733 0.366 1.00 0.00 C ATOM 365 CG TRP A 27 -8.816 8.067 1.690 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.210 6.931 2.146 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.705 8.494 2.728 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.669 6.627 3.405 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.586 7.571 3.785 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.588 9.568 2.868 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.318 7.690 4.963 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.314 9.685 4.038 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.175 8.751 5.074 1.00 0.00 C ATOM 0 H TRP A 27 -7.103 7.045 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.946 7.349 -0.572 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.541 8.983 0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.151 9.672 0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.478 6.356 1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.374 5.828 3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.701 10.294 2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.213 6.970 5.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.000 10.510 4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -11.755 8.871 5.977 1.00 0.00 H new ATOM 384 N CYS A 28 -10.486 9.330 -2.097 1.00 0.00 N ATOM 385 CA CYS A 28 -10.864 10.198 -3.207 1.00 0.00 C ATOM 386 C CYS A 28 -10.181 11.557 -3.090 1.00 0.00 C ATOM 387 O CYS A 28 -10.489 12.343 -2.196 1.00 0.00 O ATOM 388 CB CYS A 28 -12.382 10.378 -3.246 1.00 0.00 C ATOM 389 SG CYS A 28 -13.025 10.875 -4.862 1.00 0.00 S ATOM 0 H CYS A 28 -11.211 9.209 -1.390 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.538 9.726 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.856 9.442 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.667 11.127 -2.507 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.317 11.000 -4.795 1.00 0.00 H new ATOM 395 N GLY A 29 -9.250 11.826 -4.001 1.00 0.00 N ATOM 396 CA GLY A 29 -8.537 13.089 -3.982 1.00 0.00 C ATOM 397 C GLY A 29 -7.868 13.397 -5.307 1.00 0.00 C ATOM 398 O GLY A 29 -8.427 14.106 -6.143 1.00 0.00 O ATOM 0 H GLY A 29 -8.977 11.191 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.232 13.891 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.783 13.066 -3.195 1.00 0.00 H new ATOM 402 N GLY A 30 -6.665 12.864 -5.499 1.00 0.00 N ATOM 403 CA GLY A 30 -5.938 13.099 -6.733 1.00 0.00 C ATOM 404 C GLY A 30 -5.528 11.811 -7.419 1.00 0.00 C ATOM 405 O GLY A 30 -6.104 10.754 -7.164 1.00 0.00 O ATOM 0 H GLY A 30 -6.181 12.274 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.558 13.686 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.049 13.692 -6.520 1.00 0.00 H new ATOM 409 N ASN A 31 -4.531 11.899 -8.294 1.00 0.00 N ATOM 410 CA ASN A 31 -4.047 10.731 -9.021 1.00 0.00 C ATOM 411 C ASN A 31 -2.699 10.270 -8.473 1.00 0.00 C ATOM 412 O ASN A 31 -1.666 10.883 -8.742 1.00 0.00 O ATOM 413 CB ASN A 31 -3.923 11.048 -10.512 1.00 0.00 C ATOM 414 CG ASN A 31 -5.273 11.195 -11.187 1.00 0.00 C ATOM 415 OD1 ASN A 31 -5.759 12.307 -11.392 1.00 0.00 O ATOM 416 ND2 ASN A 31 -5.886 10.069 -11.534 1.00 0.00 N ATOM 0 H ASN A 31 -4.043 12.767 -8.517 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.769 9.925 -8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.355 11.969 -10.639 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.359 10.255 -11.003 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.798 10.104 -11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.445 9.169 -11.344 1.00 0.00 H new ATOM 423 N PHE A 32 -2.718 9.187 -7.704 1.00 0.00 N ATOM 424 CA PHE A 32 -1.498 8.644 -7.118 1.00 0.00 C ATOM 425 C PHE A 32 -1.036 7.404 -7.878 1.00 0.00 C ATOM 426 O PHE A 32 0.154 7.237 -8.152 1.00 0.00 O ATOM 427 CB PHE A 32 -1.725 8.298 -5.645 1.00 0.00 C ATOM 428 CG PHE A 32 -1.440 9.439 -4.711 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.290 10.198 -4.853 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.324 9.754 -3.691 1.00 0.00 C ATOM 431 CE1 PHE A 32 -0.025 11.248 -3.994 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.065 10.803 -2.830 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.915 11.552 -2.982 1.00 0.00 C ATOM 0 H PHE A 32 -3.565 8.668 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.720 9.404 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.758 7.978 -5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.092 7.452 -5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.408 9.967 -5.644 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.226 9.173 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.877 11.830 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.762 11.037 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.712 12.374 -2.311 1.00 0.00 H new ATOM 443 N LEU A 33 -1.983 6.536 -8.215 1.00 0.00 N ATOM 444 CA LEU A 33 -1.674 5.310 -8.943 1.00 0.00 C ATOM 445 C LEU A 33 -0.553 5.543 -9.950 1.00 0.00 C ATOM 446 O LEU A 33 0.229 4.639 -10.242 1.00 0.00 O ATOM 447 CB LEU A 33 -2.922 4.792 -9.661 1.00 0.00 C ATOM 448 CG LEU A 33 -2.847 3.357 -10.185 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.735 2.373 -9.030 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.063 3.039 -11.042 1.00 0.00 C ATOM 0 H LEU A 33 -2.972 6.658 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.340 4.563 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.767 4.864 -8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.135 5.454 -10.501 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.955 3.262 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.683 1.357 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.834 2.587 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.608 2.469 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.993 2.014 -11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.968 3.151 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.100 3.724 -11.889 1.00 0.00 H new ATOM 462 N GLU A 34 -0.481 6.761 -10.477 1.00 0.00 N ATOM 463 CA GLU A 34 0.546 7.112 -11.451 1.00 0.00 C ATOM 464 C GLU A 34 1.941 6.959 -10.850 1.00 0.00 C ATOM 465 O GLU A 34 2.719 6.103 -11.271 1.00 0.00 O ATOM 466 CB GLU A 34 0.346 8.548 -11.942 1.00 0.00 C ATOM 467 CG GLU A 34 -0.726 8.681 -13.011 1.00 0.00 C ATOM 468 CD GLU A 34 -0.538 9.913 -13.875 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.376 11.015 -13.309 1.00 0.00 O ATOM 470 OE2 GLU A 34 -0.553 9.776 -15.116 1.00 0.00 O ATOM 0 H GLU A 34 -1.121 7.521 -10.246 1.00 0.00 H new ATOM 0 HA GLU A 34 0.456 6.430 -12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.082 9.180 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.290 8.923 -12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.715 7.793 -13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.706 8.722 -12.535 1.00 0.00 H new ATOM 477 N VAL A 35 2.249 7.795 -9.864 1.00 0.00 N ATOM 478 CA VAL A 35 3.549 7.753 -9.205 1.00 0.00 C ATOM 479 C VAL A 35 3.829 6.369 -8.631 1.00 0.00 C ATOM 480 O VAL A 35 4.959 5.881 -8.679 1.00 0.00 O ATOM 481 CB VAL A 35 3.638 8.794 -8.073 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.834 8.339 -6.864 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.089 9.046 -7.694 1.00 0.00 C ATOM 0 H VAL A 35 1.616 8.509 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 35 4.296 7.987 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 35 3.212 9.731 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.909 9.087 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.789 8.214 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.227 7.389 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.133 9.784 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.543 8.115 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.632 9.420 -8.562 1.00 0.00 H new ATOM 493 N THR A 36 2.793 5.738 -8.088 1.00 0.00 N ATOM 494 CA THR A 36 2.927 4.410 -7.503 1.00 0.00 C ATOM 495 C THR A 36 3.365 3.391 -8.549 1.00 0.00 C ATOM 496 O THR A 36 4.068 2.431 -8.236 1.00 0.00 O ATOM 497 CB THR A 36 1.605 3.940 -6.867 1.00 0.00 C ATOM 498 OG1 THR A 36 1.245 4.808 -5.787 1.00 0.00 O ATOM 499 CG2 THR A 36 1.728 2.512 -6.357 1.00 0.00 C ATOM 0 H THR A 36 1.851 6.126 -8.041 1.00 0.00 H new ATOM 0 HA THR A 36 3.689 4.482 -6.727 1.00 0.00 H new ATOM 0 HB THR A 36 0.829 3.971 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.281 4.742 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.782 2.202 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.973 1.849 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.516 2.460 -5.606 1.00 0.00 H new ATOM 507 N GLU A 37 2.946 3.608 -9.792 1.00 0.00 N ATOM 508 CA GLU A 37 3.296 2.707 -10.884 1.00 0.00 C ATOM 509 C GLU A 37 4.760 2.875 -11.280 1.00 0.00 C ATOM 510 O GLU A 37 5.532 1.917 -11.263 1.00 0.00 O ATOM 511 CB GLU A 37 2.396 2.963 -12.094 1.00 0.00 C ATOM 512 CG GLU A 37 1.068 2.226 -12.032 1.00 0.00 C ATOM 513 CD GLU A 37 0.414 2.087 -13.393 1.00 0.00 C ATOM 514 OE1 GLU A 37 0.692 2.927 -14.274 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.375 1.137 -13.577 1.00 0.00 O ATOM 0 H GLU A 37 2.364 4.399 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 37 3.146 1.684 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.205 4.033 -12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.925 2.665 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.226 1.235 -11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.393 2.757 -11.361 1.00 0.00 H new ATOM 522 N GLN A 38 5.133 4.100 -11.636 1.00 0.00 N ATOM 523 CA GLN A 38 6.504 4.394 -12.038 1.00 0.00 C ATOM 524 C GLN A 38 7.497 3.873 -11.005 1.00 0.00 C ATOM 525 O GLN A 38 8.570 3.380 -11.356 1.00 0.00 O ATOM 526 CB GLN A 38 6.690 5.901 -12.227 1.00 0.00 C ATOM 527 CG GLN A 38 7.005 6.641 -10.938 1.00 0.00 C ATOM 528 CD GLN A 38 7.508 8.050 -11.182 1.00 0.00 C ATOM 529 OE1 GLN A 38 8.767 8.168 -11.588 1.00 0.00 O flip ATOM 530 NE2 GLN A 38 6.774 9.023 -11.007 1.00 0.00 N flip ATOM 0 H GLN A 38 4.506 4.904 -11.654 1.00 0.00 H new ATOM 0 HA GLN A 38 6.695 3.890 -12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.496 6.073 -12.941 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.783 6.319 -12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.109 6.681 -10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.755 6.083 -10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.813 8.887 -10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.127 9.965 -11.175 1.00 0.00 H new ATOM 539 N ILE A 39 7.133 3.984 -9.732 1.00 0.00 N ATOM 540 CA ILE A 39 7.993 3.523 -8.649 1.00 0.00 C ATOM 541 C ILE A 39 8.058 2.000 -8.609 1.00 0.00 C ATOM 542 O ILE A 39 9.131 1.418 -8.448 1.00 0.00 O ATOM 543 CB ILE A 39 7.505 4.041 -7.283 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.642 5.563 -7.212 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.284 3.379 -6.157 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.060 6.052 -7.411 1.00 0.00 C ATOM 0 H ILE A 39 6.249 4.389 -9.425 1.00 0.00 H new ATOM 0 HA ILE A 39 8.988 3.922 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 39 6.452 3.785 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.001 6.013 -7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.280 5.908 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.928 3.755 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.139 2.300 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.344 3.607 -6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.082 7.140 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.702 5.631 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.419 5.738 -8.391 1.00 0.00 H new ATOM 558 N LEU A 40 6.903 1.360 -8.759 1.00 0.00 N ATOM 559 CA LEU A 40 6.828 -0.096 -8.742 1.00 0.00 C ATOM 560 C LEU A 40 7.792 -0.703 -9.756 1.00 0.00 C ATOM 561 O LEU A 40 8.522 -1.645 -9.448 1.00 0.00 O ATOM 562 CB LEU A 40 5.400 -0.557 -9.040 1.00 0.00 C ATOM 563 CG LEU A 40 4.424 -0.519 -7.864 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.996 -0.718 -8.348 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.791 -1.577 -6.832 1.00 0.00 C ATOM 0 H LEU A 40 6.006 1.827 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 40 7.113 -0.438 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.998 0.065 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.441 -1.578 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 40 4.493 0.461 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.316 -0.688 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.736 0.075 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.912 -1.684 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.086 -1.536 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.751 -2.564 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.799 -1.390 -6.462 1.00 0.00 H new ATOM 577 N ALA A 41 7.791 -0.155 -10.967 1.00 0.00 N ATOM 578 CA ALA A 41 8.668 -0.640 -12.026 1.00 0.00 C ATOM 579 C ALA A 41 10.135 -0.447 -11.654 1.00 0.00 C ATOM 580 O ALA A 41 11.030 -0.922 -12.353 1.00 0.00 O ATOM 581 CB ALA A 41 8.356 0.069 -13.335 1.00 0.00 C ATOM 0 H ALA A 41 7.193 0.625 -11.239 1.00 0.00 H new ATOM 0 HA ALA A 41 8.489 -1.708 -12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.018 -0.303 -14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.320 -0.123 -13.615 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.506 1.142 -13.212 1.00 0.00 H new ATOM 587 N LYS A 42 10.374 0.253 -10.550 1.00 0.00 N ATOM 588 CA LYS A 42 11.731 0.508 -10.085 1.00 0.00 C ATOM 589 C LYS A 42 12.057 -0.343 -8.862 1.00 0.00 C ATOM 590 O LYS A 42 13.224 -0.606 -8.570 1.00 0.00 O ATOM 591 CB LYS A 42 11.907 1.991 -9.749 1.00 0.00 C ATOM 592 CG LYS A 42 12.026 2.882 -10.973 1.00 0.00 C ATOM 593 CD LYS A 42 11.838 4.347 -10.616 1.00 0.00 C ATOM 594 CE LYS A 42 11.257 5.134 -11.781 1.00 0.00 C ATOM 595 NZ LYS A 42 11.558 6.588 -11.673 1.00 0.00 N ATOM 0 H LYS A 42 9.644 0.654 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 42 12.419 0.239 -10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.059 2.322 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.799 2.112 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.004 2.741 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.281 2.588 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.177 4.431 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.796 4.778 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.661 4.748 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.177 4.988 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.669 7.127 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.082 6.770 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.134 6.885 -12.487 1.00 0.00 H new ATOM 609 N ILE A 43 11.019 -0.771 -8.152 1.00 0.00 N ATOM 610 CA ILE A 43 11.195 -1.595 -6.962 1.00 0.00 C ATOM 611 C ILE A 43 11.486 -3.045 -7.336 1.00 0.00 C ATOM 612 O ILE A 43 10.774 -3.663 -8.127 1.00 0.00 O ATOM 613 CB ILE A 43 9.950 -1.550 -6.057 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.643 -0.109 -5.646 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.157 -2.424 -4.828 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.277 0.063 -5.019 1.00 0.00 C ATOM 0 H ILE A 43 10.047 -0.561 -8.380 1.00 0.00 H new ATOM 0 HA ILE A 43 12.045 -1.185 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 43 9.098 -1.938 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.403 0.229 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.714 0.534 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.269 -2.382 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.333 -3.454 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.018 -2.063 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.128 1.109 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.509 -0.243 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.208 -0.553 -4.122 1.00 0.00 H new ATOM 628 N PRO A 44 12.557 -3.603 -6.752 1.00 0.00 N ATOM 629 CA PRO A 44 12.966 -4.987 -7.006 1.00 0.00 C ATOM 630 C PRO A 44 11.992 -5.998 -6.410 1.00 0.00 C ATOM 631 O PRO A 44 11.231 -5.677 -5.497 1.00 0.00 O ATOM 632 CB PRO A 44 14.329 -5.087 -6.316 1.00 0.00 C ATOM 633 CG PRO A 44 14.292 -4.046 -5.252 1.00 0.00 C ATOM 634 CD PRO A 44 13.451 -2.925 -5.798 1.00 0.00 C ATOM 0 HA PRO A 44 12.995 -5.214 -8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.487 -6.079 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.143 -4.906 -7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.863 -4.443 -4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.297 -3.698 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.891 -2.422 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.061 -2.167 -6.288 1.00 0.00 H new ATOM 642 N SER A 45 12.021 -7.220 -6.932 1.00 0.00 N ATOM 643 CA SER A 45 11.138 -8.277 -6.453 1.00 0.00 C ATOM 644 C SER A 45 11.873 -9.204 -5.489 1.00 0.00 C ATOM 645 O SER A 45 11.447 -10.334 -5.252 1.00 0.00 O ATOM 646 CB SER A 45 10.585 -9.082 -7.631 1.00 0.00 C ATOM 647 OG SER A 45 11.601 -9.864 -8.235 1.00 0.00 O ATOM 0 H SER A 45 12.646 -7.503 -7.687 1.00 0.00 H new ATOM 0 HA SER A 45 10.309 -7.810 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.779 -9.730 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.156 -8.405 -8.369 1.00 0.00 H new ATOM 0 HG SER A 45 12.479 -9.502 -7.994 1.00 0.00 H new ATOM 653 N GLU A 46 12.980 -8.717 -4.938 1.00 0.00 N ATOM 654 CA GLU A 46 13.775 -9.501 -4.001 1.00 0.00 C ATOM 655 C GLU A 46 13.457 -9.114 -2.559 1.00 0.00 C ATOM 656 O GLU A 46 13.337 -7.934 -2.235 1.00 0.00 O ATOM 657 CB GLU A 46 15.268 -9.306 -4.275 1.00 0.00 C ATOM 658 CG GLU A 46 15.672 -9.637 -5.702 1.00 0.00 C ATOM 659 CD GLU A 46 15.243 -8.572 -6.692 1.00 0.00 C ATOM 660 OE1 GLU A 46 16.011 -7.610 -6.898 1.00 0.00 O ATOM 661 OE2 GLU A 46 14.139 -8.701 -7.261 1.00 0.00 O ATOM 0 H GLU A 46 13.346 -7.784 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 46 13.521 -10.552 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.536 -8.271 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.840 -9.932 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.754 -9.758 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.231 -10.592 -5.988 1.00 0.00 H new ATOM 668 N ASN A 47 13.321 -10.118 -1.699 1.00 0.00 N ATOM 669 CA ASN A 47 13.015 -9.884 -0.293 1.00 0.00 C ATOM 670 C ASN A 47 13.884 -8.764 0.273 1.00 0.00 C ATOM 671 O ASN A 47 15.026 -8.991 0.670 1.00 0.00 O ATOM 672 CB ASN A 47 13.225 -11.165 0.517 1.00 0.00 C ATOM 673 CG ASN A 47 14.627 -11.721 0.367 1.00 0.00 C ATOM 674 OD1 ASN A 47 15.072 -12.023 -0.740 1.00 0.00 O ATOM 675 ND2 ASN A 47 15.332 -11.858 1.484 1.00 0.00 N ATOM 0 H ASN A 47 13.418 -11.102 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 47 11.970 -9.583 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.028 -10.962 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.503 -11.916 0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.282 -12.226 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.923 -11.595 2.381 1.00 0.00 H new ATOM 682 N ASN A 48 13.333 -7.555 0.307 1.00 0.00 N ATOM 683 CA ASN A 48 14.056 -6.399 0.824 1.00 0.00 C ATOM 684 C ASN A 48 13.156 -5.168 0.866 1.00 0.00 C ATOM 685 O ASN A 48 12.295 -4.985 0.005 1.00 0.00 O ATOM 686 CB ASN A 48 15.288 -6.115 -0.037 1.00 0.00 C ATOM 687 CG ASN A 48 14.961 -5.272 -1.254 1.00 0.00 C ATOM 688 OD1 ASN A 48 14.354 -5.752 -2.212 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.363 -4.006 -1.222 1.00 0.00 N ATOM 0 H ASN A 48 12.388 -7.350 -0.017 1.00 0.00 H new ATOM 0 HA ASN A 48 14.376 -6.627 1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.039 -5.603 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.728 -7.059 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.171 -3.390 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.863 -3.650 -0.407 1.00 0.00 H new ATOM 696 N LYS A 49 13.363 -4.325 1.872 1.00 0.00 N ATOM 697 CA LYS A 49 12.573 -3.109 2.027 1.00 0.00 C ATOM 698 C LYS A 49 13.474 -1.882 2.110 1.00 0.00 C ATOM 699 O LYS A 49 14.639 -1.979 2.497 1.00 0.00 O ATOM 700 CB LYS A 49 11.700 -3.200 3.281 1.00 0.00 C ATOM 701 CG LYS A 49 11.062 -4.564 3.481 1.00 0.00 C ATOM 702 CD LYS A 49 10.846 -4.867 4.954 1.00 0.00 C ATOM 703 CE LYS A 49 12.089 -5.473 5.587 1.00 0.00 C ATOM 704 NZ LYS A 49 12.137 -6.951 5.412 1.00 0.00 N ATOM 0 H LYS A 49 14.072 -4.462 2.593 1.00 0.00 H new ATOM 0 HA LYS A 49 11.931 -3.008 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.307 -2.961 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.915 -2.446 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.107 -4.600 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.697 -5.332 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.579 -3.950 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.008 -5.554 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.978 -5.026 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.109 -5.232 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.999 -7.325 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.302 -7.381 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.144 -7.180 4.398 1.00 0.00 H new ATOM 718 N LEU A 50 12.928 -0.727 1.744 1.00 0.00 N ATOM 719 CA LEU A 50 13.683 0.521 1.779 1.00 0.00 C ATOM 720 C LEU A 50 12.747 1.720 1.893 1.00 0.00 C ATOM 721 O LEU A 50 11.603 1.675 1.439 1.00 0.00 O ATOM 722 CB LEU A 50 14.547 0.652 0.523 1.00 0.00 C ATOM 723 CG LEU A 50 15.092 2.050 0.227 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.421 1.960 -0.506 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.086 2.853 -0.586 1.00 0.00 C ATOM 0 H LEU A 50 11.966 -0.629 1.420 1.00 0.00 H new ATOM 0 HA LEU A 50 14.329 0.502 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.390 -0.033 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.959 0.324 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 50 15.257 2.563 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.794 2.964 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.141 1.423 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.282 1.428 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.490 3.845 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.890 2.343 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.157 2.947 -0.024 1.00 0.00 H new ATOM 737 N THR A 51 13.241 2.794 2.502 1.00 0.00 N ATOM 738 CA THR A 51 12.450 4.006 2.676 1.00 0.00 C ATOM 739 C THR A 51 12.677 4.980 1.526 1.00 0.00 C ATOM 740 O THR A 51 13.756 5.559 1.394 1.00 0.00 O ATOM 741 CB THR A 51 12.786 4.710 4.004 1.00 0.00 C ATOM 742 OG1 THR A 51 12.727 3.772 5.084 1.00 0.00 O ATOM 743 CG2 THR A 51 11.821 5.856 4.268 1.00 0.00 C ATOM 0 H THR A 51 14.186 2.849 2.883 1.00 0.00 H new ATOM 0 HA THR A 51 11.403 3.701 2.689 1.00 0.00 H new ATOM 0 HB THR A 51 13.795 5.115 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.944 4.227 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.078 6.338 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.889 6.583 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.803 5.469 4.324 1.00 0.00 H new ATOM 751 N TYR A 52 11.655 5.156 0.696 1.00 0.00 N ATOM 752 CA TYR A 52 11.745 6.060 -0.445 1.00 0.00 C ATOM 753 C TYR A 52 11.024 7.373 -0.158 1.00 0.00 C ATOM 754 O TYR A 52 9.832 7.385 0.152 1.00 0.00 O ATOM 755 CB TYR A 52 11.151 5.401 -1.692 1.00 0.00 C ATOM 756 CG TYR A 52 11.789 5.863 -2.983 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.809 7.209 -3.327 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.370 4.954 -3.858 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.390 7.636 -4.506 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.954 5.372 -5.038 1.00 0.00 C ATOM 761 CZ TYR A 52 12.961 6.714 -5.357 1.00 0.00 C ATOM 762 OH TYR A 52 13.541 7.134 -6.533 1.00 0.00 O ATOM 0 H TYR A 52 10.755 4.685 0.792 1.00 0.00 H new ATOM 0 HA TYR A 52 12.798 6.276 -0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.261 4.320 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.082 5.611 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.363 7.934 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.365 3.903 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.397 8.686 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.402 4.652 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 52 13.898 6.360 -7.017 1.00 0.00 H new ATOM 772 N SER A 53 11.755 8.478 -0.264 1.00 0.00 N ATOM 773 CA SER A 53 11.188 9.797 -0.013 1.00 0.00 C ATOM 774 C SER A 53 10.968 10.552 -1.321 1.00 0.00 C ATOM 775 O SER A 53 11.917 10.842 -2.051 1.00 0.00 O ATOM 776 CB SER A 53 12.106 10.604 0.907 1.00 0.00 C ATOM 777 OG SER A 53 13.413 10.699 0.367 1.00 0.00 O ATOM 0 H SER A 53 12.742 8.486 -0.522 1.00 0.00 H new ATOM 0 HA SER A 53 10.223 9.663 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.695 11.603 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.148 10.132 1.889 1.00 0.00 H new ATOM 0 HG SER A 53 13.358 10.808 -0.605 1.00 0.00 H new ATOM 783 N HIS A 54 9.710 10.868 -1.610 1.00 0.00 N ATOM 784 CA HIS A 54 9.364 11.590 -2.830 1.00 0.00 C ATOM 785 C HIS A 54 8.667 12.907 -2.502 1.00 0.00 C ATOM 786 O HIS A 54 7.644 12.926 -1.819 1.00 0.00 O ATOM 787 CB HIS A 54 8.465 10.731 -3.719 1.00 0.00 C ATOM 788 CG HIS A 54 8.032 11.419 -4.976 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.399 12.644 -4.984 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.145 11.049 -6.273 1.00 0.00 C ATOM 791 CE1 HIS A 54 7.140 12.996 -6.230 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.583 12.045 -7.032 1.00 0.00 N ATOM 0 H HIS A 54 8.913 10.636 -1.017 1.00 0.00 H new ATOM 0 HA HIS A 54 10.287 11.811 -3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.995 9.815 -3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.581 10.438 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.594 10.139 -6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.649 13.907 -6.540 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.518 12.050 -8.050 1.00 0.00 H new ATOM 801 N GLY A 55 9.228 14.007 -2.995 1.00 0.00 N ATOM 802 CA GLY A 55 8.646 15.313 -2.743 1.00 0.00 C ATOM 803 C GLY A 55 8.280 15.513 -1.286 1.00 0.00 C ATOM 804 O GLY A 55 9.089 15.258 -0.395 1.00 0.00 O ATOM 0 H GLY A 55 10.074 14.017 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.351 16.086 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.755 15.435 -3.358 1.00 0.00 H new ATOM 808 N ASN A 56 7.057 15.973 -1.043 1.00 0.00 N ATOM 809 CA ASN A 56 6.586 16.210 0.317 1.00 0.00 C ATOM 810 C ASN A 56 5.733 15.044 0.808 1.00 0.00 C ATOM 811 O ASN A 56 4.717 15.243 1.474 1.00 0.00 O ATOM 812 CB ASN A 56 5.780 17.509 0.381 1.00 0.00 C ATOM 813 CG ASN A 56 6.532 18.685 -0.212 1.00 0.00 C ATOM 814 OD1 ASN A 56 7.057 18.604 -1.323 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.586 19.786 0.528 1.00 0.00 N ATOM 0 H ASN A 56 6.374 16.189 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 56 7.457 16.299 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.839 17.376 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.530 17.727 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.077 20.610 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.136 19.808 1.443 1.00 0.00 H new ATOM 822 N TYR A 57 6.153 13.829 0.474 1.00 0.00 N ATOM 823 CA TYR A 57 5.426 12.631 0.879 1.00 0.00 C ATOM 824 C TYR A 57 6.371 11.440 1.012 1.00 0.00 C ATOM 825 O TYR A 57 7.333 11.308 0.254 1.00 0.00 O ATOM 826 CB TYR A 57 4.324 12.312 -0.132 1.00 0.00 C ATOM 827 CG TYR A 57 3.105 13.196 0.002 1.00 0.00 C ATOM 828 CD1 TYR A 57 3.059 14.445 -0.606 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.000 12.784 0.736 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.948 15.257 -0.486 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.884 13.589 0.860 1.00 0.00 C ATOM 832 CZ TYR A 57 0.863 14.825 0.248 1.00 0.00 C ATOM 833 OH TYR A 57 -0.246 15.630 0.370 1.00 0.00 O ATOM 0 H TYR A 57 6.993 13.647 -0.076 1.00 0.00 H new ATOM 0 HA TYR A 57 4.973 12.823 1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.727 12.413 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.023 11.271 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.906 14.786 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.013 11.818 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.929 16.225 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.033 13.252 1.433 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.920 15.177 0.918 1.00 0.00 H new ATOM 843 N LEU A 58 6.089 10.575 1.980 1.00 0.00 N ATOM 844 CA LEU A 58 6.911 9.393 2.214 1.00 0.00 C ATOM 845 C LEU A 58 6.369 8.192 1.446 1.00 0.00 C ATOM 846 O LEU A 58 5.157 8.013 1.328 1.00 0.00 O ATOM 847 CB LEU A 58 6.968 9.075 3.709 1.00 0.00 C ATOM 848 CG LEU A 58 7.723 10.078 4.581 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.502 9.776 6.055 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.207 10.064 4.248 1.00 0.00 C ATOM 0 H LEU A 58 5.297 10.670 2.616 1.00 0.00 H new ATOM 0 HA LEU A 58 7.919 9.604 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.947 8.996 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.430 8.096 3.834 1.00 0.00 H new ATOM 0 HG LEU A 58 7.335 11.075 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.047 10.500 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.438 9.839 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.862 8.772 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.728 10.784 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.610 9.067 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.347 10.331 3.200 1.00 0.00 H new ATOM 862 N PHE A 59 7.275 7.370 0.927 1.00 0.00 N ATOM 863 CA PHE A 59 6.888 6.185 0.171 1.00 0.00 C ATOM 864 C PHE A 59 7.497 4.927 0.784 1.00 0.00 C ATOM 865 O PHE A 59 8.632 4.561 0.479 1.00 0.00 O ATOM 866 CB PHE A 59 7.327 6.318 -1.289 1.00 0.00 C ATOM 867 CG PHE A 59 6.403 7.164 -2.117 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.085 8.454 -1.725 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.852 6.669 -3.288 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.234 9.235 -2.485 1.00 0.00 C ATOM 871 CE2 PHE A 59 5.001 7.445 -4.053 1.00 0.00 C ATOM 872 CZ PHE A 59 4.693 8.730 -3.651 1.00 0.00 C ATOM 0 H PHE A 59 8.282 7.503 1.016 1.00 0.00 H new ATOM 0 HA PHE A 59 5.802 6.099 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.328 6.748 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.393 5.324 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.507 8.854 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.090 5.665 -3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.993 10.239 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.578 7.047 -4.963 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.030 9.339 -4.248 1.00 0.00 H new ATOM 882 N HIS A 60 6.733 4.269 1.651 1.00 0.00 N ATOM 883 CA HIS A 60 7.196 3.051 2.307 1.00 0.00 C ATOM 884 C HIS A 60 6.650 1.813 1.603 1.00 0.00 C ATOM 885 O HIS A 60 5.437 1.640 1.480 1.00 0.00 O ATOM 886 CB HIS A 60 6.772 3.045 3.776 1.00 0.00 C ATOM 887 CG HIS A 60 6.769 4.405 4.404 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.920 5.054 4.799 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.747 5.240 4.702 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.605 6.229 5.316 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.292 6.366 5.268 1.00 0.00 N ATOM 0 H HIS A 60 5.791 4.559 1.915 1.00 0.00 H new ATOM 0 HA HIS A 60 8.284 3.029 2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.774 2.615 3.856 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.444 2.396 4.337 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.697 5.055 4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.302 6.953 5.710 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.768 7.177 5.598 1.00 0.00 H new ATOM 900 N TYR A 61 7.553 0.954 1.141 1.00 0.00 N ATOM 901 CA TYR A 61 7.162 -0.266 0.447 1.00 0.00 C ATOM 902 C TYR A 61 7.797 -1.491 1.097 1.00 0.00 C ATOM 903 O TYR A 61 8.958 -1.458 1.507 1.00 0.00 O ATOM 904 CB TYR A 61 7.565 -0.191 -1.027 1.00 0.00 C ATOM 905 CG TYR A 61 8.955 -0.718 -1.302 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.193 -2.082 -1.415 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.031 0.149 -1.449 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.462 -2.567 -1.666 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.303 -0.327 -1.701 1.00 0.00 C ATOM 910 CZ TYR A 61 11.514 -1.686 -1.808 1.00 0.00 C ATOM 911 OH TYR A 61 12.779 -2.166 -2.059 1.00 0.00 O ATOM 0 H TYR A 61 8.561 1.081 1.235 1.00 0.00 H new ATOM 0 HA TYR A 61 6.078 -0.361 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.847 -0.757 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.506 0.846 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.372 -2.775 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.870 1.214 -1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.630 -3.631 -1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.128 0.361 -1.814 1.00 0.00 H new ATOM 0 HH TYR A 61 13.405 -1.416 -2.133 1.00 0.00 H new ATOM 921 N ILE A 62 7.028 -2.571 1.188 1.00 0.00 N ATOM 922 CA ILE A 62 7.515 -3.807 1.787 1.00 0.00 C ATOM 923 C ILE A 62 7.373 -4.979 0.821 1.00 0.00 C ATOM 924 O ILE A 62 6.338 -5.142 0.175 1.00 0.00 O ATOM 925 CB ILE A 62 6.762 -4.137 3.090 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.869 -2.971 4.075 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.309 -5.413 3.710 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.021 -3.148 5.315 1.00 0.00 C ATOM 0 H ILE A 62 6.065 -2.615 0.854 1.00 0.00 H new ATOM 0 HA ILE A 62 8.569 -3.652 2.016 1.00 0.00 H new ATOM 0 HB ILE A 62 5.709 -4.294 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.911 -2.851 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.573 -2.051 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.767 -5.632 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.186 -6.239 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.368 -5.283 3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.146 -2.284 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.973 -3.238 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.332 -4.050 5.843 1.00 0.00 H new ATOM 940 N CYS A 63 8.420 -5.792 0.730 1.00 0.00 N ATOM 941 CA CYS A 63 8.412 -6.950 -0.157 1.00 0.00 C ATOM 942 C CYS A 63 8.091 -8.225 0.617 1.00 0.00 C ATOM 943 O CYS A 63 8.632 -8.459 1.697 1.00 0.00 O ATOM 944 CB CYS A 63 9.765 -7.091 -0.857 1.00 0.00 C ATOM 945 SG CYS A 63 9.787 -8.327 -2.177 1.00 0.00 S ATOM 0 H CYS A 63 9.284 -5.671 1.259 1.00 0.00 H new ATOM 0 HA CYS A 63 7.637 -6.797 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.049 -6.125 -1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.520 -7.353 -0.116 1.00 0.00 H new ATOM 0 HG CYS A 63 10.896 -8.227 -2.847 1.00 0.00 H new ATOM 951 N GLN A 64 7.206 -9.043 0.057 1.00 0.00 N ATOM 952 CA GLN A 64 6.811 -10.293 0.696 1.00 0.00 C ATOM 953 C GLN A 64 5.995 -11.159 -0.258 1.00 0.00 C ATOM 954 O GLN A 64 4.981 -10.717 -0.800 1.00 0.00 O ATOM 955 CB GLN A 64 6.003 -10.009 1.963 1.00 0.00 C ATOM 956 CG GLN A 64 5.861 -11.215 2.878 1.00 0.00 C ATOM 957 CD GLN A 64 6.994 -11.324 3.879 1.00 0.00 C ATOM 958 OE1 GLN A 64 8.158 -11.465 3.504 1.00 0.00 O ATOM 959 NE2 GLN A 64 6.658 -11.260 5.163 1.00 0.00 N ATOM 0 H GLN A 64 6.749 -8.863 -0.837 1.00 0.00 H new ATOM 0 HA GLN A 64 7.717 -10.836 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.481 -9.199 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.010 -9.659 1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.913 -11.151 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.826 -12.122 2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.680 -11.143 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.378 -11.328 5.883 1.00 0.00 H new ATOM 968 N ASP A 65 6.444 -12.392 -0.460 1.00 0.00 N ATOM 969 CA ASP A 65 5.755 -13.321 -1.349 1.00 0.00 C ATOM 970 C ASP A 65 5.702 -12.773 -2.772 1.00 0.00 C ATOM 971 O ASP A 65 4.739 -13.006 -3.502 1.00 0.00 O ATOM 972 CB ASP A 65 4.338 -13.591 -0.841 1.00 0.00 C ATOM 973 CG ASP A 65 3.834 -14.966 -1.233 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.576 -15.949 -1.029 1.00 0.00 O ATOM 975 OD2 ASP A 65 2.699 -15.058 -1.745 1.00 0.00 O ATOM 0 H ASP A 65 7.282 -12.772 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 65 6.314 -14.257 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.320 -13.497 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.662 -12.833 -1.238 1.00 0.00 H new ATOM 980 N ARG A 66 6.743 -12.043 -3.158 1.00 0.00 N ATOM 981 CA ARG A 66 6.815 -11.459 -4.492 1.00 0.00 C ATOM 982 C ARG A 66 5.755 -10.376 -4.670 1.00 0.00 C ATOM 983 O ARG A 66 5.326 -10.091 -5.788 1.00 0.00 O ATOM 984 CB ARG A 66 6.634 -12.544 -5.556 1.00 0.00 C ATOM 985 CG ARG A 66 7.564 -13.732 -5.379 1.00 0.00 C ATOM 986 CD ARG A 66 8.948 -13.444 -5.939 1.00 0.00 C ATOM 987 NE ARG A 66 9.731 -14.664 -6.118 1.00 0.00 N ATOM 988 CZ ARG A 66 11.045 -14.673 -6.310 1.00 0.00 C ATOM 989 NH1 ARG A 66 11.721 -13.532 -6.346 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.687 -15.824 -6.465 1.00 0.00 N ATOM 0 H ARG A 66 7.549 -11.842 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 66 7.798 -11.003 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.602 -12.895 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.800 -12.107 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.643 -13.979 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.142 -14.604 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.852 -12.931 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.478 -12.769 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 66 9.241 -15.559 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.232 -12.645 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.730 -13.542 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.171 -16.704 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.696 -15.829 -6.612 1.00 0.00 H new ATOM 1004 N ILE A 67 5.337 -9.777 -3.559 1.00 0.00 N ATOM 1005 CA ILE A 67 4.328 -8.725 -3.593 1.00 0.00 C ATOM 1006 C ILE A 67 4.841 -7.451 -2.931 1.00 0.00 C ATOM 1007 O ILE A 67 5.442 -7.494 -1.857 1.00 0.00 O ATOM 1008 CB ILE A 67 3.031 -9.168 -2.891 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.793 -10.664 -3.107 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.849 -8.359 -3.406 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.514 -11.030 -4.547 1.00 0.00 C ATOM 0 H ILE A 67 5.681 -10.002 -2.626 1.00 0.00 H new ATOM 0 HA ILE A 67 4.114 -8.525 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 67 3.134 -8.987 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.668 -11.216 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.953 -10.983 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.939 -8.683 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.018 -7.301 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.743 -8.513 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.355 -12.106 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.622 -10.506 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.364 -10.743 -5.167 1.00 0.00 H new ATOM 1023 N VAL A 68 4.599 -6.315 -3.578 1.00 0.00 N ATOM 1024 CA VAL A 68 5.033 -5.027 -3.052 1.00 0.00 C ATOM 1025 C VAL A 68 3.847 -4.208 -2.555 1.00 0.00 C ATOM 1026 O VAL A 68 2.842 -4.066 -3.252 1.00 0.00 O ATOM 1027 CB VAL A 68 5.795 -4.214 -4.115 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.129 -2.827 -3.589 1.00 0.00 C ATOM 1029 CG2 VAL A 68 7.056 -4.949 -4.544 1.00 0.00 C ATOM 0 H VAL A 68 4.104 -6.261 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 68 5.702 -5.236 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 68 5.153 -4.099 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.667 -2.268 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.208 -2.302 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.752 -2.916 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.582 -4.360 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.703 -5.096 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.787 -5.918 -4.965 1.00 0.00 H new ATOM 1039 N TYR A 69 3.971 -3.671 -1.347 1.00 0.00 N ATOM 1040 CA TYR A 69 2.908 -2.867 -0.755 1.00 0.00 C ATOM 1041 C TYR A 69 3.376 -1.434 -0.520 1.00 0.00 C ATOM 1042 O TYR A 69 4.031 -1.138 0.481 1.00 0.00 O ATOM 1043 CB TYR A 69 2.445 -3.487 0.564 1.00 0.00 C ATOM 1044 CG TYR A 69 2.120 -4.960 0.459 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.125 -5.902 0.271 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.809 -5.410 0.547 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.833 -7.248 0.174 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.507 -6.755 0.452 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.523 -7.670 0.266 1.00 0.00 C ATOM 1050 OH TYR A 69 1.226 -9.011 0.170 1.00 0.00 O ATOM 0 H TYR A 69 4.797 -3.778 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 69 2.071 -2.847 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.223 -3.348 1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.563 -2.953 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.152 -5.575 0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.012 -4.696 0.692 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.626 -7.966 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.518 -7.088 0.523 1.00 0.00 H new ATOM 0 HH TYR A 69 0.253 -9.131 0.160 1.00 0.00 H new ATOM 1060 N LEU A 70 3.035 -0.547 -1.448 1.00 0.00 N ATOM 1061 CA LEU A 70 3.418 0.856 -1.343 1.00 0.00 C ATOM 1062 C LEU A 70 2.291 1.685 -0.736 1.00 0.00 C ATOM 1063 O LEU A 70 1.114 1.442 -1.006 1.00 0.00 O ATOM 1064 CB LEU A 70 3.788 1.409 -2.721 1.00 0.00 C ATOM 1065 CG LEU A 70 4.478 2.773 -2.734 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.411 2.888 -3.929 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.447 3.893 -2.750 1.00 0.00 C ATOM 0 H LEU A 70 2.494 -0.775 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 70 4.286 0.921 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.440 0.690 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.879 1.478 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 70 5.072 2.866 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.893 3.866 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.171 2.108 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.839 2.773 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.957 4.857 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.826 3.803 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.820 3.823 -1.861 1.00 0.00 H new ATOM 1079 N CYS A 71 2.658 2.664 0.083 1.00 0.00 N ATOM 1080 CA CYS A 71 1.677 3.530 0.727 1.00 0.00 C ATOM 1081 C CYS A 71 2.223 4.946 0.887 1.00 0.00 C ATOM 1082 O CYS A 71 3.313 5.144 1.424 1.00 0.00 O ATOM 1083 CB CYS A 71 1.286 2.965 2.093 1.00 0.00 C ATOM 1084 SG CYS A 71 2.615 3.010 3.319 1.00 0.00 S ATOM 0 H CYS A 71 3.627 2.878 0.317 1.00 0.00 H new ATOM 0 HA CYS A 71 0.792 3.570 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.434 3.526 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.957 1.933 1.967 1.00 0.00 H new ATOM 0 HG CYS A 71 3.439 3.973 3.030 1.00 0.00 H new ATOM 1090 N ILE A 72 1.459 5.925 0.416 1.00 0.00 N ATOM 1091 CA ILE A 72 1.867 7.322 0.505 1.00 0.00 C ATOM 1092 C ILE A 72 1.338 7.968 1.782 1.00 0.00 C ATOM 1093 O ILE A 72 0.128 8.052 1.993 1.00 0.00 O ATOM 1094 CB ILE A 72 1.374 8.131 -0.708 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.863 7.491 -2.009 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.848 9.574 -0.611 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.932 7.714 -3.180 1.00 0.00 C ATOM 0 H ILE A 72 0.554 5.777 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 72 2.957 7.332 0.519 1.00 0.00 H new ATOM 0 HB ILE A 72 0.284 8.126 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.846 7.893 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.987 6.419 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.491 10.133 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.455 10.026 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.937 9.598 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.342 7.233 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.045 7.287 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.827 8.783 -3.363 1.00 0.00 H new ATOM 1109 N THR A 73 2.254 8.425 2.630 1.00 0.00 N ATOM 1110 CA THR A 73 1.881 9.064 3.886 1.00 0.00 C ATOM 1111 C THR A 73 2.576 10.411 4.045 1.00 0.00 C ATOM 1112 O THR A 73 3.450 10.766 3.254 1.00 0.00 O ATOM 1113 CB THR A 73 2.228 8.174 5.094 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.647 8.016 5.194 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.568 6.809 4.969 1.00 0.00 C ATOM 0 H THR A 73 3.260 8.364 2.470 1.00 0.00 H new ATOM 0 HA THR A 73 0.802 9.216 3.855 1.00 0.00 H new ATOM 0 HB THR A 73 1.852 8.660 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.882 7.738 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.828 6.199 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.486 6.931 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.917 6.318 4.060 1.00 0.00 H new ATOM 1123 N ASP A 74 2.183 11.157 5.071 1.00 0.00 N ATOM 1124 CA ASP A 74 2.771 12.465 5.335 1.00 0.00 C ATOM 1125 C ASP A 74 4.127 12.324 6.018 1.00 0.00 C ATOM 1126 O ASP A 74 4.361 11.374 6.765 1.00 0.00 O ATOM 1127 CB ASP A 74 1.833 13.303 6.205 1.00 0.00 C ATOM 1128 CG ASP A 74 2.436 14.642 6.583 1.00 0.00 C ATOM 1129 OD1 ASP A 74 3.094 15.262 5.721 1.00 0.00 O ATOM 1130 OD2 ASP A 74 2.249 15.070 7.741 1.00 0.00 O ATOM 0 H ASP A 74 1.460 10.878 5.734 1.00 0.00 H new ATOM 0 HA ASP A 74 2.916 12.970 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.897 13.467 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.590 12.748 7.111 1.00 0.00 H new ATOM 1135 N ASP A 75 5.018 13.275 5.756 1.00 0.00 N ATOM 1136 CA ASP A 75 6.352 13.256 6.346 1.00 0.00 C ATOM 1137 C ASP A 75 6.272 13.181 7.867 1.00 0.00 C ATOM 1138 O ASP A 75 6.846 12.283 8.485 1.00 0.00 O ATOM 1139 CB ASP A 75 7.135 14.500 5.925 1.00 0.00 C ATOM 1140 CG ASP A 75 8.622 14.365 6.189 1.00 0.00 C ATOM 1141 OD1 ASP A 75 9.201 13.328 5.802 1.00 0.00 O ATOM 1142 OD2 ASP A 75 9.207 15.295 6.781 1.00 0.00 O ATOM 0 H ASP A 75 4.841 14.068 5.139 1.00 0.00 H new ATOM 0 HA ASP A 75 6.871 12.369 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.973 14.686 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.751 15.367 6.463 1.00 0.00 H new ATOM 1147 N ASP A 76 5.559 14.128 8.465 1.00 0.00 N ATOM 1148 CA ASP A 76 5.404 14.169 9.915 1.00 0.00 C ATOM 1149 C ASP A 76 5.097 12.781 10.468 1.00 0.00 C ATOM 1150 O ASP A 76 5.640 12.377 11.496 1.00 0.00 O ATOM 1151 CB ASP A 76 4.292 15.144 10.303 1.00 0.00 C ATOM 1152 CG ASP A 76 3.748 14.878 11.693 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.450 15.193 12.676 1.00 0.00 O ATOM 1154 OD2 ASP A 76 2.619 14.355 11.797 1.00 0.00 O ATOM 0 H ASP A 76 5.079 14.878 7.968 1.00 0.00 H new ATOM 0 HA ASP A 76 6.344 14.512 10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.674 16.164 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.481 15.072 9.579 1.00 0.00 H new ATOM 1159 N PHE A 77 4.222 12.056 9.779 1.00 0.00 N ATOM 1160 CA PHE A 77 3.841 10.713 10.202 1.00 0.00 C ATOM 1161 C PHE A 77 5.074 9.869 10.510 1.00 0.00 C ATOM 1162 O PHE A 77 6.156 10.116 9.978 1.00 0.00 O ATOM 1163 CB PHE A 77 3.001 10.034 9.119 1.00 0.00 C ATOM 1164 CG PHE A 77 2.156 8.904 9.637 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.080 9.153 10.474 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.438 7.594 9.286 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.301 8.116 10.951 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.662 6.553 9.760 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.593 6.814 10.594 1.00 0.00 C ATOM 0 H PHE A 77 3.764 12.376 8.926 1.00 0.00 H new ATOM 0 HA PHE A 77 3.247 10.800 11.112 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.354 10.777 8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.663 9.655 8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.848 10.169 10.757 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.273 7.384 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.535 8.323 11.602 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.892 5.536 9.478 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.014 6.002 10.966 1.00 0.00 H new ATOM 1179 N GLU A 78 4.902 8.873 11.373 1.00 0.00 N ATOM 1180 CA GLU A 78 6.001 7.993 11.753 1.00 0.00 C ATOM 1181 C GLU A 78 6.038 6.754 10.863 1.00 0.00 C ATOM 1182 O GLU A 78 5.018 6.346 10.306 1.00 0.00 O ATOM 1183 CB GLU A 78 5.868 7.578 13.219 1.00 0.00 C ATOM 1184 CG GLU A 78 6.978 6.654 13.693 1.00 0.00 C ATOM 1185 CD GLU A 78 8.334 7.331 13.707 1.00 0.00 C ATOM 1186 OE1 GLU A 78 8.591 8.127 14.636 1.00 0.00 O ATOM 1187 OE2 GLU A 78 9.140 7.066 12.790 1.00 0.00 O ATOM 0 H GLU A 78 4.012 8.655 11.822 1.00 0.00 H new ATOM 0 HA GLU A 78 6.934 8.541 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.860 8.472 13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.908 7.082 13.362 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.744 6.296 14.696 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.019 5.779 13.044 1.00 0.00 H new ATOM 1194 N ARG A 79 7.219 6.159 10.735 1.00 0.00 N ATOM 1195 CA ARG A 79 7.390 4.968 9.913 1.00 0.00 C ATOM 1196 C ARG A 79 6.754 3.751 10.579 1.00 0.00 C ATOM 1197 O ARG A 79 5.950 3.047 9.969 1.00 0.00 O ATOM 1198 CB ARG A 79 8.876 4.706 9.659 1.00 0.00 C ATOM 1199 CG ARG A 79 9.469 5.574 8.562 1.00 0.00 C ATOM 1200 CD ARG A 79 9.810 6.964 9.075 1.00 0.00 C ATOM 1201 NE ARG A 79 10.721 7.671 8.178 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.014 8.961 8.296 1.00 0.00 C ATOM 1203 NH1 ARG A 79 10.472 9.682 9.267 1.00 0.00 N ATOM 1204 NH2 ARG A 79 11.852 9.533 7.441 1.00 0.00 N ATOM 0 H ARG A 79 8.072 6.483 11.191 1.00 0.00 H new ATOM 0 HA ARG A 79 6.891 5.141 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.429 4.875 10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.011 3.657 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.368 5.100 8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.762 5.653 7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.893 7.543 9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.263 6.885 10.063 1.00 0.00 H new ATOM 0 HE ARG A 79 11.156 7.145 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.828 9.246 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.699 10.672 9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.272 8.982 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.076 10.524 7.532 1.00 0.00 H new ATOM 1218 N SER A 80 7.121 3.511 11.834 1.00 0.00 N ATOM 1219 CA SER A 80 6.590 2.378 12.582 1.00 0.00 C ATOM 1220 C SER A 80 5.111 2.168 12.274 1.00 0.00 C ATOM 1221 O SER A 80 4.684 1.061 11.945 1.00 0.00 O ATOM 1222 CB SER A 80 6.784 2.595 14.084 1.00 0.00 C ATOM 1223 OG SER A 80 6.919 1.359 14.764 1.00 0.00 O ATOM 0 H SER A 80 7.784 4.086 12.354 1.00 0.00 H new ATOM 0 HA SER A 80 7.137 1.486 12.277 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.670 3.206 14.255 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.934 3.145 14.488 1.00 0.00 H new ATOM 0 HG SER A 80 7.044 1.525 15.722 1.00 0.00 H new ATOM 1229 N ARG A 81 4.333 3.241 12.383 1.00 0.00 N ATOM 1230 CA ARG A 81 2.901 3.175 12.117 1.00 0.00 C ATOM 1231 C ARG A 81 2.633 2.712 10.688 1.00 0.00 C ATOM 1232 O ARG A 81 1.968 1.701 10.467 1.00 0.00 O ATOM 1233 CB ARG A 81 2.255 4.542 12.351 1.00 0.00 C ATOM 1234 CG ARG A 81 1.830 4.776 13.792 1.00 0.00 C ATOM 1235 CD ARG A 81 2.949 5.405 14.607 1.00 0.00 C ATOM 1236 NE ARG A 81 2.543 5.663 15.986 1.00 0.00 N ATOM 1237 CZ ARG A 81 2.327 4.705 16.880 1.00 0.00 C ATOM 1238 NH1 ARG A 81 2.478 3.432 16.541 1.00 0.00 N ATOM 1239 NH2 ARG A 81 1.960 5.019 18.116 1.00 0.00 N ATOM 0 H ARG A 81 4.670 4.165 12.653 1.00 0.00 H new ATOM 0 HA ARG A 81 2.463 2.450 12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.958 5.322 12.057 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.383 4.638 11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.954 5.424 13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.537 3.829 14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.816 4.745 14.602 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.257 6.340 14.139 1.00 0.00 H new ATOM 0 HE ARG A 81 2.419 6.632 16.279 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.761 3.187 15.592 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.312 2.698 17.229 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.843 5.997 18.380 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.794 4.282 18.802 1.00 0.00 H new ATOM 1253 N ALA A 82 3.156 3.460 9.722 1.00 0.00 N ATOM 1254 CA ALA A 82 2.975 3.126 8.315 1.00 0.00 C ATOM 1255 C ALA A 82 3.291 1.657 8.054 1.00 0.00 C ATOM 1256 O ALA A 82 2.493 0.936 7.455 1.00 0.00 O ATOM 1257 CB ALA A 82 3.848 4.017 7.444 1.00 0.00 C ATOM 0 H ALA A 82 3.708 4.301 9.888 1.00 0.00 H new ATOM 0 HA ALA A 82 1.929 3.297 8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.702 3.756 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.573 5.060 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.895 3.874 7.711 1.00 0.00 H new ATOM 1263 N PHE A 83 4.461 1.218 8.508 1.00 0.00 N ATOM 1264 CA PHE A 83 4.883 -0.165 8.322 1.00 0.00 C ATOM 1265 C PHE A 83 3.888 -1.128 8.964 1.00 0.00 C ATOM 1266 O PHE A 83 3.526 -2.146 8.375 1.00 0.00 O ATOM 1267 CB PHE A 83 6.275 -0.380 8.920 1.00 0.00 C ATOM 1268 CG PHE A 83 7.387 0.125 8.046 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.641 -0.463 6.817 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.177 1.188 8.452 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.665 0.000 6.011 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.202 1.655 7.650 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.445 1.061 6.427 1.00 0.00 C ATOM 0 H PHE A 83 5.133 1.800 9.007 1.00 0.00 H new ATOM 0 HA PHE A 83 4.919 -0.367 7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.328 0.120 9.887 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.423 -1.444 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.033 -1.292 6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.990 1.658 9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.855 -0.468 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.812 2.483 7.980 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.243 1.425 5.797 1.00 0.00 H new ATOM 1283 N ASN A 84 3.450 -0.798 10.174 1.00 0.00 N ATOM 1284 CA ASN A 84 2.498 -1.633 10.897 1.00 0.00 C ATOM 1285 C ASN A 84 1.289 -1.959 10.025 1.00 0.00 C ATOM 1286 O ASN A 84 1.035 -3.120 9.706 1.00 0.00 O ATOM 1287 CB ASN A 84 2.042 -0.932 12.178 1.00 0.00 C ATOM 1288 CG ASN A 84 2.969 -1.206 13.347 1.00 0.00 C ATOM 1289 OD1 ASN A 84 2.785 -2.352 13.992 1.00 0.00 O flip ATOM 1290 ND2 ASN A 84 3.840 -0.397 13.666 1.00 0.00 N flip ATOM 0 H ASN A 84 3.739 0.042 10.675 1.00 0.00 H new ATOM 0 HA ASN A 84 2.997 -2.566 11.159 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.990 0.143 12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.035 -1.262 12.431 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.946 0.472 13.142 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.456 -0.595 14.454 1.00 0.00 H new ATOM 1297 N PHE A 85 0.546 -0.925 9.643 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.636 -1.100 8.808 1.00 0.00 C ATOM 1299 C PHE A 85 -0.313 -1.942 7.577 1.00 0.00 C ATOM 1300 O PHE A 85 -0.960 -2.958 7.318 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.190 0.260 8.379 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.971 0.211 7.097 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.330 0.327 5.874 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.347 0.051 7.115 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.046 0.282 4.693 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.069 0.005 5.936 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.417 0.123 4.724 1.00 0.00 C ATOM 0 H PHE A 85 0.742 0.043 9.899 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.391 -1.623 9.396 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.830 0.649 9.171 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.363 0.961 8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.258 0.454 5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.862 -0.039 8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.534 0.371 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.141 -0.123 5.963 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.979 0.091 3.802 1.00 0.00 H new ATOM 1317 N LEU A 86 0.691 -1.513 6.821 1.00 0.00 N ATOM 1318 CA LEU A 86 1.101 -2.226 5.616 1.00 0.00 C ATOM 1319 C LEU A 86 1.247 -3.719 5.890 1.00 0.00 C ATOM 1320 O LEU A 86 0.842 -4.551 5.080 1.00 0.00 O ATOM 1321 CB LEU A 86 2.421 -1.661 5.090 1.00 0.00 C ATOM 1322 CG LEU A 86 2.308 -0.491 4.112 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.641 0.232 3.988 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.835 -0.978 2.750 1.00 0.00 C ATOM 0 H LEU A 86 1.237 -0.675 7.021 1.00 0.00 H new ATOM 0 HA LEU A 86 0.327 -2.088 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.021 -1.340 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.968 -2.466 4.600 1.00 0.00 H new ATOM 0 HG LEU A 86 1.571 0.212 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.541 1.061 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.939 0.615 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.399 -0.462 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.760 -0.132 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.548 -1.702 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.858 -1.450 2.852 1.00 0.00 H new ATOM 1336 N ASN A 87 1.826 -4.051 7.040 1.00 0.00 N ATOM 1337 CA ASN A 87 2.023 -5.444 7.422 1.00 0.00 C ATOM 1338 C ASN A 87 0.686 -6.133 7.676 1.00 0.00 C ATOM 1339 O ASN A 87 0.395 -7.178 7.095 1.00 0.00 O ATOM 1340 CB ASN A 87 2.901 -5.532 8.672 1.00 0.00 C ATOM 1341 CG ASN A 87 3.459 -6.926 8.890 1.00 0.00 C ATOM 1342 OD1 ASN A 87 2.940 -7.905 8.353 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.521 -7.020 9.681 1.00 0.00 N ATOM 0 H ASN A 87 2.167 -3.374 7.723 1.00 0.00 H new ATOM 0 HA ASN A 87 2.523 -5.954 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.725 -4.823 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.318 -5.237 9.544 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.941 -7.931 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.917 -6.181 10.104 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.123 -5.540 8.549 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.429 -6.098 8.880 1.00 0.00 C ATOM 1352 C GLU A 88 -2.139 -6.602 7.627 1.00 0.00 C ATOM 1353 O GLU A 88 -2.439 -7.790 7.506 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.293 -5.048 9.582 1.00 0.00 C ATOM 1355 CG GLU A 88 -3.238 -5.632 10.618 1.00 0.00 C ATOM 1356 CD GLU A 88 -4.594 -5.985 10.037 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -4.643 -6.827 9.116 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -5.605 -5.420 10.504 1.00 0.00 O ATOM 0 H GLU A 88 0.103 -4.674 9.039 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.276 -6.941 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.643 -4.319 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.875 -4.509 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.789 -6.526 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.370 -4.916 11.429 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.405 -5.690 6.698 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.079 -6.041 5.454 1.00 0.00 C ATOM 1367 C ILE A 89 -2.239 -7.010 4.628 1.00 0.00 C ATOM 1368 O ILE A 89 -2.768 -7.920 3.990 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.383 -4.792 4.606 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.112 -3.964 4.404 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.468 -3.955 5.267 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.326 -2.725 3.563 1.00 0.00 C ATOM 0 H ILE A 89 -2.164 -4.703 6.783 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.018 -6.521 5.729 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.744 -5.113 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.721 -3.669 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.353 -4.588 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.672 -3.076 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.377 -4.549 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.133 -3.640 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.384 -2.187 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.687 -3.013 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.061 -2.081 4.045 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.926 -6.810 4.647 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.010 -7.667 3.903 1.00 0.00 C ATOM 1386 C LYS A 90 -0.248 -9.136 4.236 1.00 0.00 C ATOM 1387 O LYS A 90 -0.441 -9.963 3.345 1.00 0.00 O ATOM 1388 CB LYS A 90 1.440 -7.290 4.215 1.00 0.00 C ATOM 1389 CG LYS A 90 2.461 -8.153 3.492 1.00 0.00 C ATOM 1390 CD LYS A 90 3.814 -7.466 3.413 1.00 0.00 C ATOM 1391 CE LYS A 90 4.700 -7.840 4.591 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.299 -7.126 5.835 1.00 0.00 N ATOM 0 H LYS A 90 -0.472 -6.061 5.170 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.196 -7.519 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.602 -6.247 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.604 -7.370 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.565 -9.106 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.105 -8.374 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.309 -7.742 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.674 -6.385 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.648 -8.916 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.737 -7.603 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.108 -7.085 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.996 -6.160 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.513 -7.634 6.289 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.234 -9.455 5.526 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.451 -10.824 5.979 1.00 0.00 C ATOM 1408 C LYS A 91 -1.855 -11.300 5.620 1.00 0.00 C ATOM 1409 O LYS A 91 -2.042 -12.429 5.168 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.238 -10.923 7.491 1.00 0.00 C ATOM 1411 CG LYS A 91 1.223 -11.025 7.894 1.00 0.00 C ATOM 1412 CD LYS A 91 1.378 -11.623 9.282 1.00 0.00 C ATOM 1413 CE LYS A 91 2.802 -12.096 9.530 1.00 0.00 C ATOM 1414 NZ LYS A 91 2.966 -12.671 10.893 1.00 0.00 N ATOM 0 H LYS A 91 -0.074 -8.783 6.277 1.00 0.00 H new ATOM 0 HA LYS A 91 0.271 -11.466 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.678 -10.048 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.772 -11.795 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.759 -11.639 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.678 -10.035 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.105 -10.881 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.690 -12.461 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.071 -12.845 8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.490 -11.260 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.950 -12.982 11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.734 -11.949 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.328 -13.485 11.005 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.840 -10.430 5.824 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.227 -10.761 5.522 1.00 0.00 C ATOM 1430 C ARG A 92 -4.395 -11.100 4.043 1.00 0.00 C ATOM 1431 O ARG A 92 -5.268 -11.884 3.671 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.145 -9.597 5.897 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.644 -9.653 7.332 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.843 -8.741 7.541 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.577 -9.072 8.759 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.509 -10.017 8.822 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.818 -10.721 7.741 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -9.133 -10.260 9.967 1.00 0.00 N ATOM 0 H ARG A 92 -2.702 -9.491 6.197 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.502 -11.636 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.610 -8.660 5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.002 -9.589 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.917 -10.678 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.841 -9.361 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.506 -7.705 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.511 -8.818 6.683 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.363 -8.549 9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.340 -10.537 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.534 -11.446 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.898 -9.721 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.848 -10.986 10.014 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.555 -10.503 3.206 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.611 -10.739 1.768 1.00 0.00 C ATOM 1454 C PHE A 93 -3.024 -12.103 1.417 1.00 0.00 C ATOM 1455 O PHE A 93 -3.620 -12.871 0.663 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.857 -9.639 1.018 1.00 0.00 C ATOM 1457 CG PHE A 93 -2.947 -9.761 -0.476 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.120 -9.441 -1.141 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -1.859 -10.197 -1.216 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.206 -9.552 -2.516 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -1.940 -10.309 -2.591 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.115 -9.988 -3.242 1.00 0.00 C ATOM 0 H PHE A 93 -2.827 -9.852 3.498 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.658 -10.724 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.252 -8.669 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.808 -9.662 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.977 -9.101 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.938 -10.452 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.126 -9.298 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.084 -10.648 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.181 -10.078 -4.316 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.852 -12.396 1.971 1.00 0.00 N ATOM 1473 CA GLN A 94 -1.183 -13.667 1.716 1.00 0.00 C ATOM 1474 C GLN A 94 -1.828 -14.792 2.519 1.00 0.00 C ATOM 1475 O GLN A 94 -1.614 -15.972 2.238 1.00 0.00 O ATOM 1476 CB GLN A 94 0.303 -13.564 2.064 1.00 0.00 C ATOM 1477 CG GLN A 94 0.564 -13.148 3.502 1.00 0.00 C ATOM 1478 CD GLN A 94 1.973 -13.473 3.957 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.341 -14.640 4.092 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.771 -12.439 4.197 1.00 0.00 N ATOM 0 H GLN A 94 -1.346 -11.771 2.599 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.286 -13.897 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.778 -14.528 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.775 -12.844 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.392 -12.076 3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.150 -13.649 4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.425 -11.488 4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.730 -12.596 4.506 1.00 0.00 H new ATOM 1489 N THR A 95 -2.620 -14.420 3.520 1.00 0.00 N ATOM 1490 CA THR A 95 -3.295 -15.397 4.364 1.00 0.00 C ATOM 1491 C THR A 95 -4.618 -15.836 3.747 1.00 0.00 C ATOM 1492 O THR A 95 -5.012 -16.997 3.858 1.00 0.00 O ATOM 1493 CB THR A 95 -3.561 -14.834 5.773 1.00 0.00 C ATOM 1494 OG1 THR A 95 -2.321 -14.517 6.416 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.335 -15.834 6.618 1.00 0.00 C ATOM 0 H THR A 95 -2.809 -13.448 3.766 1.00 0.00 H new ATOM 0 HA THR A 95 -2.631 -16.258 4.444 1.00 0.00 H new ATOM 0 HB THR A 95 -4.159 -13.928 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.847 -13.836 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.511 -15.414 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.291 -16.051 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.759 -16.755 6.711 1.00 0.00 H new ATOM 1503 N THR A 96 -5.301 -14.900 3.095 1.00 0.00 N ATOM 1504 CA THR A 96 -6.581 -15.191 2.460 1.00 0.00 C ATOM 1505 C THR A 96 -6.412 -15.418 0.962 1.00 0.00 C ATOM 1506 O THR A 96 -6.595 -16.532 0.469 1.00 0.00 O ATOM 1507 CB THR A 96 -7.591 -14.049 2.684 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.921 -13.953 4.074 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.856 -14.280 1.872 1.00 0.00 C ATOM 0 H THR A 96 -4.989 -13.934 2.993 1.00 0.00 H new ATOM 0 HA THR A 96 -6.964 -16.101 2.922 1.00 0.00 H new ATOM 0 HB THR A 96 -7.132 -13.117 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.562 -13.224 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.554 -13.461 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.605 -14.324 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.316 -15.220 2.175 1.00 0.00 H new ATOM 1517 N TYR A 97 -6.062 -14.358 0.243 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.870 -14.442 -1.199 1.00 0.00 C ATOM 1519 C TYR A 97 -4.405 -14.701 -1.540 1.00 0.00 C ATOM 1520 O TYR A 97 -3.896 -14.217 -2.550 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.342 -13.153 -1.874 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.658 -12.636 -1.338 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.821 -13.388 -1.450 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.737 -11.395 -0.717 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -10.025 -12.918 -0.962 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.937 -10.918 -0.225 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.078 -11.684 -0.350 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.275 -11.213 0.139 1.00 0.00 O ATOM 0 H TYR A 97 -5.905 -13.430 0.636 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.464 -15.277 -1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.580 -12.385 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.439 -13.328 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.783 -14.356 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.846 -10.793 -0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.920 -13.514 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.982 -9.951 0.255 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.015 -11.633 -0.348 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.733 -15.469 -0.689 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.334 -15.780 -0.916 1.00 0.00 C ATOM 1540 C GLY A 98 -2.120 -16.609 -2.167 1.00 0.00 C ATOM 1541 O GLY A 98 -1.502 -16.148 -3.127 1.00 0.00 O ATOM 0 H GLY A 98 -4.132 -15.882 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.767 -14.852 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.940 -16.320 -0.055 1.00 0.00 H new ATOM 1545 N SER A 99 -2.630 -17.836 -2.156 1.00 0.00 N ATOM 1546 CA SER A 99 -2.487 -18.734 -3.296 1.00 0.00 C ATOM 1547 C SER A 99 -2.768 -18.000 -4.604 1.00 0.00 C ATOM 1548 O SER A 99 -1.954 -18.019 -5.527 1.00 0.00 O ATOM 1549 CB SER A 99 -3.433 -19.928 -3.155 1.00 0.00 C ATOM 1550 OG SER A 99 -3.305 -20.813 -4.254 1.00 0.00 O ATOM 0 H SER A 99 -3.146 -18.231 -1.370 1.00 0.00 H new ATOM 0 HA SER A 99 -1.459 -19.095 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.216 -20.460 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.462 -19.575 -3.087 1.00 0.00 H new ATOM 0 HG SER A 99 -3.919 -21.568 -4.139 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.927 -17.353 -4.675 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.317 -16.613 -5.869 1.00 0.00 C ATOM 1558 C ARG A 100 -3.295 -15.528 -6.194 1.00 0.00 C ATOM 1559 O ARG A 100 -2.994 -15.275 -7.361 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.699 -15.985 -5.677 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.846 -16.914 -6.042 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.150 -16.150 -6.209 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.301 -15.611 -7.558 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.619 -16.351 -8.613 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -8.819 -17.655 -8.477 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -8.737 -15.788 -9.809 1.00 0.00 N ATOM 0 H ARG A 100 -4.612 -17.326 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.356 -17.313 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.808 -15.678 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.766 -15.082 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.610 -17.439 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.963 -17.671 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.988 -16.811 -5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.187 -15.334 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.154 -14.611 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.729 -18.092 -7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.063 -18.221 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.583 -14.786 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.981 -16.358 -10.619 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.765 -14.890 -5.156 1.00 0.00 N ATOM 1581 CA ALA A 101 -1.776 -13.834 -5.331 1.00 0.00 C ATOM 1582 C ALA A 101 -0.688 -14.258 -6.311 1.00 0.00 C ATOM 1583 O ALA A 101 0.013 -13.419 -6.876 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.164 -13.456 -3.991 1.00 0.00 C ATOM 0 H ALA A 101 -3.004 -15.086 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.282 -12.962 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.427 -12.666 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.947 -13.102 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.679 -14.328 -3.554 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.552 -15.566 -6.508 1.00 0.00 N ATOM 1591 CA GLN A 102 0.453 -16.100 -7.419 1.00 0.00 C ATOM 1592 C GLN A 102 -0.152 -16.386 -8.790 1.00 0.00 C ATOM 1593 O GLN A 102 0.511 -16.238 -9.817 1.00 0.00 O ATOM 1594 CB GLN A 102 1.067 -17.378 -6.843 1.00 0.00 C ATOM 1595 CG GLN A 102 1.826 -17.156 -5.545 1.00 0.00 C ATOM 1596 CD GLN A 102 3.145 -16.440 -5.756 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.712 -16.467 -6.849 1.00 0.00 O ATOM 1598 NE2 GLN A 102 3.643 -15.795 -4.707 1.00 0.00 N ATOM 0 H GLN A 102 -1.125 -16.274 -6.049 1.00 0.00 H new ATOM 0 HA GLN A 102 1.235 -15.350 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.275 -18.106 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.743 -17.811 -7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.207 -16.575 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.011 -18.118 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.140 -15.799 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.529 -15.296 -4.789 1.00 0.00 H new ATOM 1607 N THR A 103 -1.416 -16.797 -8.799 1.00 0.00 N ATOM 1608 CA THR A 103 -2.111 -17.105 -10.043 1.00 0.00 C ATOM 1609 C THR A 103 -3.449 -16.380 -10.119 1.00 0.00 C ATOM 1610 O THR A 103 -4.487 -16.934 -9.759 1.00 0.00 O ATOM 1611 CB THR A 103 -2.351 -18.620 -10.192 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.173 -19.093 -9.119 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.033 -19.378 -10.200 1.00 0.00 C ATOM 0 H THR A 103 -1.980 -16.924 -7.958 1.00 0.00 H new ATOM 0 HA THR A 103 -1.470 -16.764 -10.856 1.00 0.00 H new ATOM 0 HB THR A 103 -2.858 -18.794 -11.141 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.957 -18.512 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.228 -20.445 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.422 -19.036 -11.035 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.504 -19.197 -9.265 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.418 -15.138 -10.592 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.630 -14.338 -10.719 1.00 0.00 C ATOM 1623 C ALA A 104 -4.374 -13.081 -11.543 1.00 0.00 C ATOM 1624 O ALA A 104 -3.250 -12.587 -11.633 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.165 -13.970 -9.343 1.00 0.00 C ATOM 0 H ALA A 104 -2.567 -14.664 -10.894 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.378 -14.936 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.070 -13.373 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.395 -14.879 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.414 -13.394 -8.802 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.440 -12.549 -12.159 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.356 -11.343 -12.987 1.00 0.00 C ATOM 1633 C PRO A 105 -5.086 -10.090 -12.160 1.00 0.00 C ATOM 1634 O PRO A 105 -5.142 -10.105 -10.930 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.737 -11.264 -13.642 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.641 -11.992 -12.707 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.810 -13.085 -12.095 1.00 0.00 C ATOM 0 HA PRO A 105 -4.534 -11.396 -13.701 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.054 -10.230 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.734 -11.725 -14.630 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.031 -11.322 -11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.500 -12.405 -13.236 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.113 -13.293 -11.069 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.902 -14.019 -12.650 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.788 -8.978 -12.849 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.505 -7.696 -12.197 1.00 0.00 C ATOM 1647 C PRO A 106 -5.747 -7.084 -11.558 1.00 0.00 C ATOM 1648 O PRO A 106 -5.648 -6.186 -10.721 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.008 -6.816 -13.347 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.621 -7.408 -14.569 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.705 -8.887 -14.316 1.00 0.00 C ATOM 0 HA PRO A 106 -3.789 -7.802 -11.382 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.315 -5.779 -13.213 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.920 -6.821 -13.408 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.609 -6.987 -14.753 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -4.016 -7.197 -15.451 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.579 -9.328 -14.796 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.831 -9.411 -14.702 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.915 -7.576 -11.956 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.177 -7.076 -11.422 1.00 0.00 C ATOM 1661 C TYR A 107 -9.093 -8.228 -11.021 1.00 0.00 C ATOM 1662 O TYR A 107 -10.160 -8.419 -11.603 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.876 -6.190 -12.455 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.500 -4.729 -12.353 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.173 -4.325 -12.438 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -9.471 -3.753 -12.170 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.825 -2.992 -12.345 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.132 -2.417 -12.077 1.00 0.00 C ATOM 1669 CZ TYR A 107 -7.808 -2.041 -12.165 1.00 0.00 C ATOM 1670 OH TYR A 107 -7.466 -0.712 -12.071 1.00 0.00 O ATOM 0 H TYR A 107 -7.014 -8.320 -12.646 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.958 -6.484 -10.534 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.632 -6.550 -13.455 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.955 -6.288 -12.335 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.401 -5.066 -12.579 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.509 -4.043 -12.099 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.789 -2.695 -12.413 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.900 -1.671 -11.936 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.276 -0.174 -11.947 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.667 -8.992 -10.020 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.449 -10.124 -9.537 1.00 0.00 C ATOM 1682 C ALA A 108 -9.919 -9.895 -8.105 1.00 0.00 C ATOM 1683 O ALA A 108 -11.119 -9.836 -7.838 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.634 -11.406 -9.628 1.00 0.00 C ATOM 0 H ALA A 108 -7.785 -8.848 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.331 -10.221 -10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.230 -12.243 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.352 -11.585 -10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.735 -11.309 -9.019 1.00 0.00 H new ATOM 1690 N MET A 109 -8.967 -9.766 -7.187 1.00 0.00 N ATOM 1691 CA MET A 109 -9.285 -9.543 -5.782 1.00 0.00 C ATOM 1692 C MET A 109 -9.231 -8.057 -5.442 1.00 0.00 C ATOM 1693 O MET A 109 -8.636 -7.662 -4.440 1.00 0.00 O ATOM 1694 CB MET A 109 -8.316 -10.318 -4.888 1.00 0.00 C ATOM 1695 CG MET A 109 -8.179 -11.784 -5.268 1.00 0.00 C ATOM 1696 SD MET A 109 -7.039 -12.041 -6.642 1.00 0.00 S ATOM 1697 CE MET A 109 -5.580 -12.607 -5.770 1.00 0.00 C ATOM 0 H MET A 109 -7.969 -9.812 -7.391 1.00 0.00 H new ATOM 0 HA MET A 109 -10.298 -9.902 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.335 -9.846 -4.935 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.654 -10.249 -3.854 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.832 -12.349 -4.403 1.00 0.00 H new ATOM 0 HG3 MET A 109 -9.159 -12.179 -5.535 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.877 -13.041 -6.481 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.110 -11.765 -5.262 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.865 -13.360 -5.035 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.855 -7.238 -6.282 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.876 -5.796 -6.070 1.00 0.00 C ATOM 1709 C ASN A 110 -11.084 -5.387 -5.233 1.00 0.00 C ATOM 1710 O ASN A 110 -10.965 -4.595 -4.298 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.900 -5.062 -7.413 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.485 -3.667 -7.300 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -10.515 -3.081 -6.217 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.952 -3.129 -8.420 1.00 0.00 N ATOM 0 H ASN A 110 -10.353 -7.549 -7.116 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.971 -5.520 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.886 -4.997 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.483 -5.640 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.357 -2.193 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.906 -3.652 -9.295 1.00 0.00 H new ATOM 1721 N SER A 111 -12.247 -5.933 -5.576 1.00 0.00 N ATOM 1722 CA SER A 111 -13.478 -5.622 -4.858 1.00 0.00 C ATOM 1723 C SER A 111 -13.368 -6.028 -3.392 1.00 0.00 C ATOM 1724 O SER A 111 -13.375 -5.180 -2.500 1.00 0.00 O ATOM 1725 CB SER A 111 -14.665 -6.334 -5.509 1.00 0.00 C ATOM 1726 OG SER A 111 -15.047 -5.693 -6.713 1.00 0.00 O ATOM 0 H SER A 111 -12.362 -6.592 -6.346 1.00 0.00 H new ATOM 0 HA SER A 111 -13.638 -4.545 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.403 -7.372 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.508 -6.348 -4.818 1.00 0.00 H new ATOM 0 HG SER A 111 -15.806 -6.168 -7.110 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.268 -7.331 -3.150 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.158 -7.850 -1.792 1.00 0.00 C ATOM 1734 C GLU A 112 -12.121 -7.067 -0.993 1.00 0.00 C ATOM 1735 O GLU A 112 -12.414 -6.546 0.084 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.785 -9.334 -1.817 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.818 -10.210 -2.505 1.00 0.00 C ATOM 1738 CD GLU A 112 -13.205 -11.432 -3.159 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -12.415 -12.130 -2.488 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -13.513 -11.692 -4.341 1.00 0.00 O ATOM 0 H GLU A 112 -13.261 -8.047 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.128 -7.735 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.827 -9.451 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.649 -9.683 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.563 -10.528 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.342 -9.623 -3.260 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.907 -6.989 -1.527 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.824 -6.271 -0.864 1.00 0.00 C ATOM 1749 C PHE A 113 -10.196 -4.807 -0.646 1.00 0.00 C ATOM 1750 O PHE A 113 -9.970 -4.252 0.429 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.540 -6.365 -1.690 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.289 -6.352 -0.859 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.182 -7.153 0.267 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.221 -5.539 -1.202 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.033 -7.144 1.035 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.069 -5.526 -0.438 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.975 -6.329 0.682 1.00 0.00 C ATOM 0 H PHE A 113 -10.648 -7.414 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.656 -6.734 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.564 -7.280 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.508 -5.533 -2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.006 -7.792 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.289 -4.908 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.962 -7.773 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.243 -4.888 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.076 -6.320 1.281 1.00 0.00 H new ATOM 1767 N SER A 114 -10.767 -4.188 -1.674 1.00 0.00 N ATOM 1768 CA SER A 114 -11.167 -2.788 -1.597 1.00 0.00 C ATOM 1769 C SER A 114 -11.932 -2.511 -0.307 1.00 0.00 C ATOM 1770 O SER A 114 -11.666 -1.530 0.387 1.00 0.00 O ATOM 1771 CB SER A 114 -12.029 -2.415 -2.805 1.00 0.00 C ATOM 1772 OG SER A 114 -12.469 -1.070 -2.721 1.00 0.00 O ATOM 0 H SER A 114 -10.963 -4.634 -2.570 1.00 0.00 H new ATOM 0 HA SER A 114 -10.264 -2.177 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.457 -2.557 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.891 -3.080 -2.860 1.00 0.00 H new ATOM 0 HG SER A 114 -13.017 -0.855 -3.505 1.00 0.00 H new ATOM 1778 N SER A 115 -12.884 -3.383 0.008 1.00 0.00 N ATOM 1779 CA SER A 115 -13.692 -3.232 1.212 1.00 0.00 C ATOM 1780 C SER A 115 -12.839 -3.416 2.464 1.00 0.00 C ATOM 1781 O SER A 115 -12.858 -2.582 3.370 1.00 0.00 O ATOM 1782 CB SER A 115 -14.841 -4.242 1.212 1.00 0.00 C ATOM 1783 OG SER A 115 -15.670 -4.070 0.076 1.00 0.00 O ATOM 0 H SER A 115 -13.115 -4.202 -0.554 1.00 0.00 H new ATOM 0 HA SER A 115 -14.105 -2.223 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.439 -5.255 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.433 -4.124 2.120 1.00 0.00 H new ATOM 0 HG SER A 115 -16.396 -4.728 0.098 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.091 -4.514 2.508 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.230 -4.808 3.647 1.00 0.00 C ATOM 1791 C VAL A 116 -10.296 -3.641 3.945 1.00 0.00 C ATOM 1792 O VAL A 116 -10.307 -3.088 5.046 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.389 -6.075 3.402 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.469 -6.342 4.584 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.292 -7.271 3.139 1.00 0.00 C ATOM 0 H VAL A 116 -12.064 -5.215 1.767 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.883 -4.974 4.503 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.770 -5.914 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.883 -7.241 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.798 -5.494 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.066 -6.483 5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.681 -8.157 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.938 -7.436 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.905 -7.077 2.259 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.487 -3.270 2.959 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.546 -2.167 3.115 1.00 0.00 C ATOM 1807 C LEU A 117 -9.244 -0.929 3.668 1.00 0.00 C ATOM 1808 O LEU A 117 -8.779 -0.321 4.631 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.887 -1.839 1.774 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.759 -2.773 1.333 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.527 -2.660 -0.165 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.480 -2.462 2.098 1.00 0.00 C ATOM 0 H LEU A 117 -9.464 -3.717 2.043 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.778 -2.475 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.657 -1.843 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.492 -0.824 1.825 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.053 -3.798 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.721 -3.332 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.439 -2.932 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.254 -1.635 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.688 -3.136 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.182 -1.431 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.653 -2.596 3.166 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.363 -0.563 3.052 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.128 0.600 3.486 1.00 0.00 C ATOM 1826 C ALA A 118 -11.344 0.584 4.995 1.00 0.00 C ATOM 1827 O ALA A 118 -11.124 1.586 5.674 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.465 0.653 2.760 1.00 0.00 C ATOM 0 H ALA A 118 -10.760 -1.055 2.251 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.556 1.494 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.026 1.526 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.293 0.721 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.035 -0.250 2.980 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.776 -0.561 5.514 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.020 -0.707 6.944 1.00 0.00 C ATOM 1836 C ALA A 119 -10.738 -0.502 7.744 1.00 0.00 C ATOM 1837 O ALA A 119 -10.761 0.068 8.834 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.615 -2.076 7.240 1.00 0.00 C ATOM 0 H ALA A 119 -11.964 -1.400 4.966 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.732 0.061 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.792 -2.172 8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.558 -2.186 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.921 -2.852 6.916 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.622 -0.970 7.194 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.330 -0.837 7.858 1.00 0.00 C ATOM 1846 C GLN A 120 -7.865 0.615 7.861 1.00 0.00 C ATOM 1847 O GLN A 120 -7.342 1.109 8.861 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.286 -1.718 7.170 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.624 -3.200 7.201 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.453 -3.808 8.579 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.669 -3.320 9.393 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.189 -4.880 8.849 1.00 0.00 N ATOM 0 H GLN A 120 -9.586 -1.444 6.292 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.447 -1.163 8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.181 -1.400 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.320 -1.564 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.653 -3.341 6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.987 -3.729 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.826 -5.252 8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.117 -5.332 9.761 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.059 1.295 6.736 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.660 2.692 6.608 1.00 0.00 C ATOM 1863 C LEU A 121 -8.438 3.573 7.580 1.00 0.00 C ATOM 1864 O LEU A 121 -7.856 4.370 8.316 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.880 3.176 5.174 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.729 2.931 4.198 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.231 2.960 2.762 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.629 3.963 4.401 1.00 0.00 C ATOM 0 H LEU A 121 -8.490 0.901 5.900 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.600 2.765 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.773 2.690 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.085 4.246 5.201 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.314 1.943 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.398 2.784 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.983 2.183 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.672 3.934 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.818 3.773 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.031 4.962 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.249 3.894 5.420 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.758 3.422 7.579 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.619 4.200 8.462 1.00 0.00 C ATOM 1882 C LYS A 122 -10.364 3.843 9.923 1.00 0.00 C ATOM 1883 O LYS A 122 -10.273 4.721 10.781 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.090 3.960 8.117 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.500 4.532 6.771 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.871 4.033 6.347 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.982 4.890 6.935 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.328 4.312 6.669 1.00 0.00 N ATOM 0 H LYS A 122 -10.255 2.767 6.976 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.386 5.255 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.285 2.888 8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.714 4.401 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.509 5.621 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.762 4.256 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.942 4.040 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.999 2.999 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.835 4.988 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.928 5.894 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -17.058 4.925 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.479 4.242 5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.389 3.364 7.093 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.247 2.547 10.199 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.000 2.074 11.557 1.00 0.00 C ATOM 1904 C HIS A 123 -8.646 2.561 12.064 1.00 0.00 C ATOM 1905 O HIS A 123 -8.566 3.271 13.066 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.058 0.547 11.605 1.00 0.00 C ATOM 1907 CG HIS A 123 -11.449 -0.002 11.535 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -12.494 0.333 10.742 1.00 0.00 N flip ATOM 1909 CD2 HIS A 123 -11.898 -1.022 12.347 1.00 0.00 C flip ATOM 1910 CE1 HIS A 123 -13.544 -0.483 11.086 1.00 0.00 C flip ATOM 1911 NE2 HIS A 123 -13.158 -1.292 12.057 1.00 0.00 N flip ATOM 0 H HIS A 123 -10.319 1.807 9.501 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.777 2.480 12.205 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -9.475 0.143 10.777 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.586 0.202 12.525 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -12.500 1.057 10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.311 -1.522 13.103 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.526 -0.466 10.636 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.584 2.172 11.365 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.233 2.568 11.745 1.00 0.00 C ATOM 1922 C HIS A 124 -6.149 4.076 11.962 1.00 0.00 C ATOM 1923 O HIS A 124 -5.857 4.540 13.064 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.232 2.140 10.671 1.00 0.00 C ATOM 1925 CG HIS A 124 -3.818 2.075 11.162 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.131 0.891 11.323 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -2.962 3.058 11.526 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -1.913 1.148 11.766 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -1.785 2.456 11.897 1.00 0.00 N ATOM 0 H HIS A 124 -7.633 1.584 10.533 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.985 2.069 12.682 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.520 1.161 10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.286 2.839 9.836 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.167 4.118 11.525 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -1.152 0.414 11.984 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.948 2.940 12.221 1.00 0.00 H new