USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 962 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 18 SER OG : rot 180:sc= -0.987 USER MOD Set 1.2: A 126 MET CE :methyl 138:sc= -3.2! (180deg=-4.78!) USER MOD Set 2.1: A 124 THR OG1 : rot 180:sc= -0.721 USER MOD Set 2.2: A 125 GLN : amide:sc= 0 X(o=-0.72,f=-0.75) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= -0.462 USER MOD Set 3.3: A 62 LYS NZ :NH3+ -170:sc= 0.196 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 21 TYR OH : rot -139:sc= 0.117 USER MOD Single : A 22 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.1!) USER MOD Single : A 24 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.61) USER MOD Single : A 26 SER OG : rot -1:sc= 1.29 USER MOD Single : A 27 THR OG1 : rot 49:sc= 0.131 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 46 THR OG1 : rot 160:sc= -0.0528 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc=-0.00988 (180deg=-0.142) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 81:sc= -0.1 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.896 K(o=-0.9,f=-1.5!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 75 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.031) USER MOD Single : A 77 ASN : amide:sc= -1.49 K(o=-1.5,f=-7.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.0747 X(o=0.075,f=-0.11) USER MOD Single : A 96 TYR OH : rot -15:sc= 0.563 USER MOD Single : A 98 GLN : amide:sc= -2.42 K(o=-2.4,f=-1.1) USER MOD Single : A 115 SER OG : rot -2:sc= 0.821 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.82) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0425) USER MOD Single : A 136 SER OG : rot 16:sc= -1.91 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.500 8.446 1.566 1.00 0.00 N ATOM 131 CA LEU A 12 16.104 8.856 1.465 1.00 0.00 C ATOM 132 C LEU A 12 15.300 8.351 2.659 1.00 0.00 C ATOM 133 O LEU A 12 14.096 8.122 2.558 1.00 0.00 O ATOM 134 CB LEU A 12 15.491 8.333 0.165 1.00 0.00 C ATOM 135 CG LEU A 12 16.189 8.760 -1.127 1.00 0.00 C ATOM 136 CD1 LEU A 12 15.777 7.859 -2.280 1.00 0.00 C ATOM 137 CD2 LEU A 12 15.877 10.215 -1.446 1.00 0.00 C ATOM 0 HA LEU A 12 16.071 9.945 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.479 7.244 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.453 8.661 0.119 1.00 0.00 H new ATOM 0 HG LEU A 12 17.265 8.663 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.284 8.179 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.053 6.829 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.698 7.922 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.382 10.502 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.801 10.338 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.224 10.849 -0.630 1.00 0.00 H new ATOM 149 N GLY A 13 15.976 8.181 3.791 1.00 0.00 N ATOM 150 CA GLY A 13 15.309 7.706 4.989 1.00 0.00 C ATOM 151 C GLY A 13 14.885 6.254 4.880 1.00 0.00 C ATOM 152 O GLY A 13 15.507 5.472 4.161 1.00 0.00 O ATOM 0 H GLY A 13 16.974 8.364 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.976 7.823 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.432 8.324 5.182 1.00 0.00 H new ATOM 156 N ARG A 14 13.826 5.893 5.597 1.00 0.00 N ATOM 157 CA ARG A 14 13.322 4.525 5.579 1.00 0.00 C ATOM 158 C ARG A 14 11.812 4.499 5.796 1.00 0.00 C ATOM 159 O ARG A 14 11.226 5.474 6.268 1.00 0.00 O ATOM 160 CB ARG A 14 14.016 3.690 6.656 1.00 0.00 C ATOM 161 CG ARG A 14 13.574 4.029 8.070 1.00 0.00 C ATOM 162 CD ARG A 14 14.484 3.390 9.107 1.00 0.00 C ATOM 163 NE ARG A 14 15.762 4.089 9.219 1.00 0.00 N ATOM 164 CZ ARG A 14 16.839 3.564 9.793 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.793 2.342 10.304 1.00 0.00 N ATOM 166 NH2 ARG A 14 17.965 4.263 9.857 1.00 0.00 N ATOM 0 H ARG A 14 13.301 6.528 6.197 1.00 0.00 H new ATOM 0 HA ARG A 14 13.539 4.097 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.821 2.634 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.094 3.834 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.573 5.111 8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.550 3.688 8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.985 3.389 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.663 2.348 8.840 1.00 0.00 H new ATOM 0 HE ARG A 14 15.831 5.032 8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.929 1.802 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.622 1.942 10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.004 5.204 9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.792 3.859 10.298 1.00 0.00 H new ATOM 180 N ILE A 15 11.188 3.379 5.447 1.00 0.00 N ATOM 181 CA ILE A 15 9.747 3.227 5.603 1.00 0.00 C ATOM 182 C ILE A 15 9.403 1.892 6.255 1.00 0.00 C ATOM 183 O ILE A 15 9.975 0.857 5.912 1.00 0.00 O ATOM 184 CB ILE A 15 9.020 3.327 4.249 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.509 3.189 4.446 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.534 2.262 3.292 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.696 3.801 3.327 1.00 0.00 C ATOM 0 H ILE A 15 11.658 2.563 5.054 1.00 0.00 H new ATOM 0 HA ILE A 15 9.412 4.040 6.246 1.00 0.00 H new ATOM 0 HB ILE A 15 9.223 4.306 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.257 2.132 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.229 3.661 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.011 2.346 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.603 2.402 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.357 1.274 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.634 3.666 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.919 4.865 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.948 3.313 2.385 1.00 0.00 H new ATOM 199 N GLN A 16 8.464 1.923 7.195 1.00 0.00 N ATOM 200 CA GLN A 16 8.043 0.715 7.894 1.00 0.00 C ATOM 201 C GLN A 16 6.614 0.337 7.516 1.00 0.00 C ATOM 202 O GLN A 16 5.727 1.189 7.472 1.00 0.00 O ATOM 203 CB GLN A 16 8.147 0.913 9.407 1.00 0.00 C ATOM 204 CG GLN A 16 7.839 -0.342 10.208 1.00 0.00 C ATOM 205 CD GLN A 16 7.570 -0.050 11.671 1.00 0.00 C ATOM 206 OE1 GLN A 16 7.154 1.052 12.029 1.00 0.00 O ATOM 207 NE2 GLN A 16 7.807 -1.038 12.525 1.00 0.00 N ATOM 0 H GLN A 16 7.981 2.771 7.490 1.00 0.00 H new ATOM 0 HA GLN A 16 8.706 -0.097 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.153 1.252 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.461 1.704 9.709 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.971 -0.840 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.677 -1.034 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.151 -1.935 12.184 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.645 -0.900 13.522 1.00 0.00 H new ATOM 216 N PHE A 17 6.399 -0.946 7.243 1.00 0.00 N ATOM 217 CA PHE A 17 5.078 -1.436 6.868 1.00 0.00 C ATOM 218 C PHE A 17 4.950 -2.929 7.156 1.00 0.00 C ATOM 219 O PHE A 17 5.928 -3.673 7.083 1.00 0.00 O ATOM 220 CB PHE A 17 4.814 -1.168 5.385 1.00 0.00 C ATOM 221 CG PHE A 17 5.781 -1.862 4.468 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.983 -1.262 4.125 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.489 -3.113 3.949 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.875 -1.898 3.283 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.378 -3.753 3.107 1.00 0.00 C ATOM 226 CZ PHE A 17 7.572 -3.145 2.772 1.00 0.00 C ATOM 0 H PHE A 17 7.122 -1.664 7.274 1.00 0.00 H new ATOM 0 HA PHE A 17 4.337 -0.903 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.801 -1.488 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.861 -0.094 5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.225 -0.287 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.556 -3.593 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.809 -1.420 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.139 -4.729 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.267 -3.643 2.112 1.00 0.00 H new ATOM 236 N SER A 18 3.737 -3.360 7.485 1.00 0.00 N ATOM 237 CA SER A 18 3.480 -4.763 7.790 1.00 0.00 C ATOM 238 C SER A 18 2.742 -5.442 6.640 1.00 0.00 C ATOM 239 O SER A 18 1.828 -4.867 6.048 1.00 0.00 O ATOM 240 CB SER A 18 2.664 -4.886 9.078 1.00 0.00 C ATOM 241 OG SER A 18 1.274 -4.874 8.805 1.00 0.00 O ATOM 0 H SER A 18 2.916 -2.758 7.547 1.00 0.00 H new ATOM 0 HA SER A 18 4.440 -5.261 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.929 -5.810 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.913 -4.064 9.750 1.00 0.00 H new ATOM 0 HG SER A 18 0.775 -4.956 9.645 1.00 0.00 H new ATOM 247 N VAL A 19 3.145 -6.670 6.330 1.00 0.00 N ATOM 248 CA VAL A 19 2.522 -7.430 5.253 1.00 0.00 C ATOM 249 C VAL A 19 1.941 -8.741 5.769 1.00 0.00 C ATOM 250 O VAL A 19 2.580 -9.454 6.542 1.00 0.00 O ATOM 251 CB VAL A 19 3.528 -7.735 4.127 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.886 -8.609 3.060 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.057 -6.444 3.522 1.00 0.00 C ATOM 0 H VAL A 19 3.900 -7.160 6.810 1.00 0.00 H new ATOM 0 HA VAL A 19 1.717 -6.812 4.854 1.00 0.00 H new ATOM 0 HB VAL A 19 4.369 -8.282 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.611 -8.814 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.560 -9.548 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.026 -8.092 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.766 -6.678 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.228 -5.869 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.556 -5.858 4.294 1.00 0.00 H new ATOM 263 N GLY A 20 0.724 -9.055 5.336 1.00 0.00 N ATOM 264 CA GLY A 20 0.076 -10.281 5.765 1.00 0.00 C ATOM 265 C GLY A 20 -1.226 -10.536 5.032 1.00 0.00 C ATOM 266 O GLY A 20 -2.124 -9.693 5.036 1.00 0.00 O ATOM 0 H GLY A 20 0.175 -8.482 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.751 -11.121 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.118 -10.230 6.836 1.00 0.00 H new ATOM 270 N TYR A 21 -1.330 -11.699 4.401 1.00 0.00 N ATOM 271 CA TYR A 21 -2.531 -12.061 3.657 1.00 0.00 C ATOM 272 C TYR A 21 -3.349 -13.102 4.415 1.00 0.00 C ATOM 273 O TYR A 21 -2.808 -14.081 4.925 1.00 0.00 O ATOM 274 CB TYR A 21 -2.157 -12.599 2.274 1.00 0.00 C ATOM 275 CG TYR A 21 -3.352 -12.923 1.407 1.00 0.00 C ATOM 276 CD1 TYR A 21 -4.030 -14.128 1.545 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.805 -12.023 0.450 1.00 0.00 C ATOM 278 CE1 TYR A 21 -5.122 -14.428 0.754 1.00 0.00 C ATOM 279 CE2 TYR A 21 -4.897 -12.314 -0.344 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.552 -13.518 -0.189 1.00 0.00 C ATOM 281 OH TYR A 21 -6.641 -13.812 -0.977 1.00 0.00 O ATOM 0 H TYR A 21 -0.597 -12.408 4.389 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.138 -11.164 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.537 -11.863 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.552 -13.497 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.697 -14.842 2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.294 -11.080 0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.636 -15.370 0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.236 -11.603 -1.082 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.470 -13.516 -1.895 1.00 0.00 H new ATOM 291 N ASN A 22 -4.658 -12.880 4.484 1.00 0.00 N ATOM 292 CA ASN A 22 -5.552 -13.798 5.180 1.00 0.00 C ATOM 293 C ASN A 22 -6.086 -14.864 4.228 1.00 0.00 C ATOM 294 O ASN A 22 -6.469 -14.565 3.096 1.00 0.00 O ATOM 295 CB ASN A 22 -6.717 -13.029 5.808 1.00 0.00 C ATOM 296 CG ASN A 22 -7.467 -13.855 6.836 1.00 0.00 C ATOM 297 OD1 ASN A 22 -7.222 -15.052 6.986 1.00 0.00 O ATOM 298 ND2 ASN A 22 -8.388 -13.217 7.549 1.00 0.00 N ATOM 0 H ASN A 22 -5.122 -12.073 4.067 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.984 -14.292 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.338 -12.123 6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.407 -12.716 5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.926 -13.720 8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.558 -12.224 7.391 1.00 0.00 H new ATOM 305 N PHE A 23 -6.110 -16.108 4.695 1.00 0.00 N ATOM 306 CA PHE A 23 -6.597 -17.219 3.885 1.00 0.00 C ATOM 307 C PHE A 23 -8.122 -17.271 3.894 1.00 0.00 C ATOM 308 O PHE A 23 -8.763 -17.142 2.851 1.00 0.00 O ATOM 309 CB PHE A 23 -6.027 -18.542 4.401 1.00 0.00 C ATOM 310 CG PHE A 23 -4.526 -18.562 4.471 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.764 -18.360 3.331 1.00 0.00 C ATOM 312 CD2 PHE A 23 -3.878 -18.781 5.676 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.384 -18.379 3.393 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.498 -18.800 5.743 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.750 -18.598 4.600 1.00 0.00 C ATOM 0 H PHE A 23 -5.798 -16.372 5.630 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.263 -17.063 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.432 -18.740 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.363 -19.351 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.254 -18.186 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.458 -18.939 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.801 -18.223 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.005 -18.973 6.688 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.671 -18.611 4.650 1.00 0.00 H new ATOM 325 N GLN A 24 -8.694 -17.462 5.078 1.00 0.00 N ATOM 326 CA GLN A 24 -10.143 -17.533 5.222 1.00 0.00 C ATOM 327 C GLN A 24 -10.819 -16.367 4.508 1.00 0.00 C ATOM 328 O GLN A 24 -11.698 -16.567 3.669 1.00 0.00 O ATOM 329 CB GLN A 24 -10.530 -17.533 6.702 1.00 0.00 C ATOM 330 CG GLN A 24 -10.183 -18.826 7.422 1.00 0.00 C ATOM 331 CD GLN A 24 -8.760 -18.838 7.946 1.00 0.00 C ATOM 332 OE1 GLN A 24 -7.953 -19.685 7.562 1.00 0.00 O ATOM 333 NE2 GLN A 24 -8.445 -17.896 8.827 1.00 0.00 N ATOM 0 H GLN A 24 -8.177 -17.570 5.951 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.483 -18.462 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.028 -16.704 7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.602 -17.355 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.873 -18.971 8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.323 -19.666 6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.146 -17.214 9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.502 -17.854 9.214 1.00 0.00 H new ATOM 342 N GLU A 25 -10.404 -15.151 4.847 1.00 0.00 N ATOM 343 CA GLU A 25 -10.971 -13.953 4.237 1.00 0.00 C ATOM 344 C GLU A 25 -10.399 -13.731 2.840 1.00 0.00 C ATOM 345 O GLU A 25 -10.925 -12.934 2.063 1.00 0.00 O ATOM 346 CB GLU A 25 -10.696 -12.729 5.114 1.00 0.00 C ATOM 347 CG GLU A 25 -11.644 -12.602 6.295 1.00 0.00 C ATOM 348 CD GLU A 25 -12.941 -11.907 5.930 1.00 0.00 C ATOM 349 OE1 GLU A 25 -13.859 -12.589 5.428 1.00 0.00 O ATOM 350 OE2 GLU A 25 -13.039 -10.681 6.146 1.00 0.00 O ATOM 0 H GLU A 25 -9.678 -14.969 5.540 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.048 -14.095 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.672 -12.780 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.769 -11.830 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.866 -13.595 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.151 -12.047 7.094 1.00 0.00 H new ATOM 357 N SER A 26 -9.319 -14.441 2.529 1.00 0.00 N ATOM 358 CA SER A 26 -8.673 -14.318 1.228 1.00 0.00 C ATOM 359 C SER A 26 -8.486 -12.852 0.850 1.00 0.00 C ATOM 360 O SER A 26 -8.850 -12.429 -0.248 1.00 0.00 O ATOM 361 CB SER A 26 -9.498 -15.032 0.155 1.00 0.00 C ATOM 362 OG SER A 26 -9.551 -16.427 0.397 1.00 0.00 O ATOM 0 H SER A 26 -8.873 -15.107 3.160 1.00 0.00 H new ATOM 0 HA SER A 26 -7.691 -14.786 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.509 -14.624 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.062 -14.846 -0.827 1.00 0.00 H new ATOM 0 HG SER A 26 -9.034 -16.639 1.202 1.00 0.00 H new ATOM 368 N THR A 27 -7.915 -12.079 1.768 1.00 0.00 N ATOM 369 CA THR A 27 -7.680 -10.660 1.534 1.00 0.00 C ATOM 370 C THR A 27 -6.284 -10.250 1.992 1.00 0.00 C ATOM 371 O THR A 27 -5.733 -10.829 2.930 1.00 0.00 O ATOM 372 CB THR A 27 -8.722 -9.790 2.261 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.030 -10.346 2.089 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.699 -8.363 1.734 1.00 0.00 C ATOM 0 H THR A 27 -7.606 -12.412 2.681 1.00 0.00 H new ATOM 0 HA THR A 27 -7.769 -10.499 0.460 1.00 0.00 H new ATOM 0 HB THR A 27 -8.471 -9.773 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.008 -11.304 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.444 -7.768 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.710 -7.932 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.927 -8.365 0.668 1.00 0.00 H new ATOM 382 N LEU A 28 -5.718 -9.249 1.327 1.00 0.00 N ATOM 383 CA LEU A 28 -4.386 -8.761 1.667 1.00 0.00 C ATOM 384 C LEU A 28 -4.469 -7.556 2.597 1.00 0.00 C ATOM 385 O LEU A 28 -5.279 -6.651 2.390 1.00 0.00 O ATOM 386 CB LEU A 28 -3.619 -8.389 0.398 1.00 0.00 C ATOM 387 CG LEU A 28 -2.137 -8.057 0.582 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.339 -9.320 0.867 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.593 -7.347 -0.649 1.00 0.00 C ATOM 0 H LEU A 28 -6.161 -8.759 0.549 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.854 -9.559 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.701 -9.216 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.109 -7.530 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.037 -7.388 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.287 -9.065 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.712 -9.788 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.445 -10.013 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.538 -7.118 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.706 -7.992 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.146 -6.421 -0.809 1.00 0.00 H new ATOM 401 N THR A 29 -3.624 -7.547 3.624 1.00 0.00 N ATOM 402 CA THR A 29 -3.601 -6.452 4.585 1.00 0.00 C ATOM 403 C THR A 29 -2.238 -5.768 4.607 1.00 0.00 C ATOM 404 O THR A 29 -1.211 -6.416 4.808 1.00 0.00 O ATOM 405 CB THR A 29 -3.938 -6.945 6.006 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.229 -7.563 6.016 1.00 0.00 O ATOM 407 CG2 THR A 29 -3.913 -5.792 6.998 1.00 0.00 C ATOM 0 H THR A 29 -2.947 -8.286 3.811 1.00 0.00 H new ATOM 0 HA THR A 29 -4.359 -5.736 4.267 1.00 0.00 H new ATOM 0 HB THR A 29 -3.185 -7.675 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.435 -7.875 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.154 -6.164 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.920 -5.343 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.647 -5.042 6.703 1.00 0.00 H new ATOM 415 N VAL A 30 -2.237 -4.456 4.399 1.00 0.00 N ATOM 416 CA VAL A 30 -1.000 -3.683 4.396 1.00 0.00 C ATOM 417 C VAL A 30 -1.093 -2.494 5.345 1.00 0.00 C ATOM 418 O VAL A 30 -1.834 -1.542 5.095 1.00 0.00 O ATOM 419 CB VAL A 30 -0.660 -3.173 2.983 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.629 -2.365 3.003 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.555 -4.336 2.008 1.00 0.00 C ATOM 0 H VAL A 30 -3.079 -3.905 4.230 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.208 -4.352 4.733 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.465 -2.519 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.853 -2.013 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.512 -1.510 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.446 -2.993 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.314 -3.957 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.230 -5.017 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.506 -4.868 1.973 1.00 0.00 H new ATOM 431 N LYS A 31 -0.337 -2.553 6.436 1.00 0.00 N ATOM 432 CA LYS A 31 -0.331 -1.481 7.423 1.00 0.00 C ATOM 433 C LYS A 31 0.956 -0.667 7.335 1.00 0.00 C ATOM 434 O LYS A 31 2.046 -1.184 7.583 1.00 0.00 O ATOM 435 CB LYS A 31 -0.488 -2.056 8.832 1.00 0.00 C ATOM 436 CG LYS A 31 0.072 -1.158 9.922 1.00 0.00 C ATOM 437 CD LYS A 31 -0.539 -1.478 11.276 1.00 0.00 C ATOM 438 CE LYS A 31 -1.900 -0.820 11.443 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.653 -1.389 12.595 1.00 0.00 N ATOM 0 H LYS A 31 0.280 -3.334 6.659 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.172 -0.821 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.546 -2.234 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.011 -3.024 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.154 -1.277 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.122 -0.115 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.640 -2.558 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.130 -1.139 12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.770 0.252 11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.481 -0.950 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.575 -0.915 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.800 -2.408 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.111 -1.243 13.470 1.00 0.00 H new ATOM 453 N ILE A 32 0.823 0.607 6.982 1.00 0.00 N ATOM 454 CA ILE A 32 1.975 1.492 6.865 1.00 0.00 C ATOM 455 C ILE A 32 2.233 2.235 8.171 1.00 0.00 C ATOM 456 O ILE A 32 1.787 3.368 8.351 1.00 0.00 O ATOM 457 CB ILE A 32 1.784 2.518 5.732 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.321 1.818 4.453 1.00 0.00 C ATOM 459 CG2 ILE A 32 3.076 3.282 5.486 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.403 0.994 3.789 1.00 0.00 C ATOM 0 H ILE A 32 -0.072 1.050 6.772 1.00 0.00 H new ATOM 0 HA ILE A 32 2.834 0.862 6.633 1.00 0.00 H new ATOM 0 HB ILE A 32 1.015 3.230 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.476 1.171 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.962 2.568 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.925 4.003 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.367 3.808 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.864 2.583 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.004 0.527 2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.240 1.640 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.746 0.221 4.477 1.00 0.00 H new ATOM 472 N MET A 33 2.958 1.590 9.079 1.00 0.00 N ATOM 473 CA MET A 33 3.278 2.192 10.368 1.00 0.00 C ATOM 474 C MET A 33 3.491 3.696 10.228 1.00 0.00 C ATOM 475 O MET A 33 2.625 4.493 10.591 1.00 0.00 O ATOM 476 CB MET A 33 4.529 1.541 10.963 1.00 0.00 C ATOM 477 CG MET A 33 4.359 0.061 11.263 1.00 0.00 C ATOM 478 SD MET A 33 3.756 -0.244 12.935 1.00 0.00 S ATOM 479 CE MET A 33 3.500 -2.016 12.884 1.00 0.00 C ATOM 0 H MET A 33 3.335 0.651 8.946 1.00 0.00 H new ATOM 0 HA MET A 33 2.435 2.023 11.039 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.360 1.670 10.270 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.797 2.061 11.882 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.663 -0.374 10.545 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.315 -0.445 11.128 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.126 -2.358 13.849 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.773 -2.256 12.108 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.444 -2.514 12.664 1.00 0.00 H new ATOM 489 N LYS A 34 4.649 4.078 9.701 1.00 0.00 N ATOM 490 CA LYS A 34 4.977 5.487 9.512 1.00 0.00 C ATOM 491 C LYS A 34 6.318 5.643 8.802 1.00 0.00 C ATOM 492 O LYS A 34 7.018 4.662 8.555 1.00 0.00 O ATOM 493 CB LYS A 34 5.014 6.208 10.861 1.00 0.00 C ATOM 494 CG LYS A 34 6.239 5.875 11.695 1.00 0.00 C ATOM 495 CD LYS A 34 6.177 4.456 12.234 1.00 0.00 C ATOM 496 CE LYS A 34 7.247 4.213 13.287 1.00 0.00 C ATOM 497 NZ LYS A 34 6.841 4.735 14.622 1.00 0.00 N ATOM 0 H LYS A 34 5.377 3.432 9.397 1.00 0.00 H new ATOM 0 HA LYS A 34 4.203 5.935 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.983 7.284 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.119 5.950 11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.137 5.996 11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.317 6.577 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.193 4.272 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.304 3.748 11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.448 3.144 13.361 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.176 4.691 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.597 4.550 15.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.674 5.760 14.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.968 4.261 14.929 1.00 0.00 H new ATOM 511 N ALA A 35 6.670 6.883 8.479 1.00 0.00 N ATOM 512 CA ALA A 35 7.929 7.167 7.802 1.00 0.00 C ATOM 513 C ALA A 35 8.881 7.935 8.712 1.00 0.00 C ATOM 514 O ALA A 35 8.461 8.524 9.708 1.00 0.00 O ATOM 515 CB ALA A 35 7.674 7.949 6.521 1.00 0.00 C ATOM 0 H ALA A 35 6.101 7.707 8.675 1.00 0.00 H new ATOM 0 HA ALA A 35 8.399 6.217 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.623 8.155 6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.037 7.363 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.179 8.890 6.762 1.00 0.00 H new ATOM 521 N GLN A 36 10.164 7.925 8.364 1.00 0.00 N ATOM 522 CA GLN A 36 11.175 8.619 9.152 1.00 0.00 C ATOM 523 C GLN A 36 12.342 9.059 8.274 1.00 0.00 C ATOM 524 O GLN A 36 12.574 8.494 7.206 1.00 0.00 O ATOM 525 CB GLN A 36 11.681 7.718 10.279 1.00 0.00 C ATOM 526 CG GLN A 36 10.607 7.343 11.287 1.00 0.00 C ATOM 527 CD GLN A 36 11.166 7.108 12.676 1.00 0.00 C ATOM 528 OE1 GLN A 36 12.262 6.567 12.833 1.00 0.00 O ATOM 529 NE2 GLN A 36 10.416 7.513 13.694 1.00 0.00 N ATOM 0 H GLN A 36 10.528 7.444 7.541 1.00 0.00 H new ATOM 0 HA GLN A 36 10.715 9.507 9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.095 6.807 9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.495 8.223 10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.861 8.137 11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.095 6.442 10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.514 7.957 13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.741 7.381 14.652 1.00 0.00 H new ATOM 538 N GLU A 37 13.071 10.072 8.731 1.00 0.00 N ATOM 539 CA GLU A 37 14.213 10.588 7.985 1.00 0.00 C ATOM 540 C GLU A 37 13.823 10.908 6.545 1.00 0.00 C ATOM 541 O GLU A 37 14.473 10.459 5.600 1.00 0.00 O ATOM 542 CB GLU A 37 15.361 9.576 8.002 1.00 0.00 C ATOM 543 CG GLU A 37 16.144 9.565 9.304 1.00 0.00 C ATOM 544 CD GLU A 37 17.341 10.495 9.273 1.00 0.00 C ATOM 545 OE1 GLU A 37 17.161 11.704 9.532 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.458 10.014 8.990 1.00 0.00 O ATOM 0 H GLU A 37 12.892 10.551 9.613 1.00 0.00 H new ATOM 0 HA GLU A 37 14.543 11.509 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.958 8.579 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.042 9.798 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.485 9.855 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.483 8.550 9.511 1.00 0.00 H new ATOM 553 N LEU A 38 12.758 11.685 6.386 1.00 0.00 N ATOM 554 CA LEU A 38 12.279 12.065 5.061 1.00 0.00 C ATOM 555 C LEU A 38 12.823 13.432 4.657 1.00 0.00 C ATOM 556 O LEU A 38 12.756 14.401 5.413 1.00 0.00 O ATOM 557 CB LEU A 38 10.750 12.083 5.035 1.00 0.00 C ATOM 558 CG LEU A 38 10.061 10.720 5.103 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.659 10.801 4.518 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.886 9.669 4.374 1.00 0.00 C ATOM 0 H LEU A 38 12.209 12.065 7.158 1.00 0.00 H new ATOM 0 HA LEU A 38 12.639 11.325 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.400 12.687 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.428 12.585 4.123 1.00 0.00 H new ATOM 0 HG LEU A 38 9.979 10.427 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.184 9.822 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.070 11.523 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.717 11.116 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.381 8.705 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.000 9.956 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.869 9.592 4.838 1.00 0.00 H new ATOM 572 N PRO A 39 13.371 13.514 3.436 1.00 0.00 N ATOM 573 CA PRO A 39 13.934 14.758 2.903 1.00 0.00 C ATOM 574 C PRO A 39 12.859 15.796 2.597 1.00 0.00 C ATOM 575 O PRO A 39 11.692 15.457 2.405 1.00 0.00 O ATOM 576 CB PRO A 39 14.626 14.310 1.614 1.00 0.00 C ATOM 577 CG PRO A 39 13.903 13.073 1.205 1.00 0.00 C ATOM 578 CD PRO A 39 13.483 12.398 2.481 1.00 0.00 C ATOM 0 HA PRO A 39 14.602 15.242 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.563 15.078 0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.685 14.113 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.038 13.313 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.547 12.422 0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.535 11.872 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.218 11.662 2.807 1.00 0.00 H new ATOM 586 N ALA A 40 13.261 17.062 2.553 1.00 0.00 N ATOM 587 CA ALA A 40 12.333 18.149 2.268 1.00 0.00 C ATOM 588 C ALA A 40 12.444 18.599 0.816 1.00 0.00 C ATOM 589 O ALA A 40 13.201 19.516 0.495 1.00 0.00 O ATOM 590 CB ALA A 40 12.587 19.319 3.207 1.00 0.00 C ATOM 0 H ALA A 40 14.224 17.360 2.711 1.00 0.00 H new ATOM 0 HA ALA A 40 11.320 17.781 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.887 20.124 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.449 18.994 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.607 19.678 3.073 1.00 0.00 H new ATOM 668 N THR A 46 9.695 21.856 4.862 1.00 0.00 N ATOM 669 CA THR A 46 8.980 20.594 5.010 1.00 0.00 C ATOM 670 C THR A 46 8.134 20.294 3.778 1.00 0.00 C ATOM 671 O THR A 46 7.819 21.190 2.996 1.00 0.00 O ATOM 672 CB THR A 46 8.070 20.607 6.253 1.00 0.00 C ATOM 673 OG1 THR A 46 7.507 19.307 6.461 1.00 0.00 O ATOM 674 CG2 THR A 46 6.954 21.629 6.096 1.00 0.00 C ATOM 0 HA THR A 46 9.734 19.815 5.128 1.00 0.00 H new ATOM 0 HB THR A 46 8.675 20.883 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.205 19.226 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.325 21.620 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.385 22.622 5.967 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.351 21.379 5.223 1.00 0.00 H new ATOM 682 N SER A 47 7.769 19.026 3.612 1.00 0.00 N ATOM 683 CA SER A 47 6.962 18.607 2.472 1.00 0.00 C ATOM 684 C SER A 47 5.804 17.722 2.923 1.00 0.00 C ATOM 685 O SER A 47 5.686 17.388 4.103 1.00 0.00 O ATOM 686 CB SER A 47 7.826 17.857 1.457 1.00 0.00 C ATOM 687 OG SER A 47 8.383 18.747 0.506 1.00 0.00 O ATOM 0 H SER A 47 8.019 18.272 4.252 1.00 0.00 H new ATOM 0 HA SER A 47 6.552 19.500 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.625 17.327 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.224 17.105 0.947 1.00 0.00 H new ATOM 0 HG SER A 47 8.932 18.244 -0.131 1.00 0.00 H new ATOM 693 N ASP A 48 4.952 17.345 1.976 1.00 0.00 N ATOM 694 CA ASP A 48 3.803 16.498 2.274 1.00 0.00 C ATOM 695 C ASP A 48 4.016 15.085 1.740 1.00 0.00 C ATOM 696 O ASP A 48 3.522 14.718 0.674 1.00 0.00 O ATOM 697 CB ASP A 48 2.531 17.098 1.673 1.00 0.00 C ATOM 698 CG ASP A 48 1.283 16.682 2.427 1.00 0.00 C ATOM 699 OD1 ASP A 48 1.340 15.672 3.159 1.00 0.00 O ATOM 700 OD2 ASP A 48 0.248 17.367 2.285 1.00 0.00 O ATOM 0 H ASP A 48 5.035 17.613 0.995 1.00 0.00 H new ATOM 0 HA ASP A 48 3.693 16.444 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.609 18.185 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.443 16.788 0.632 1.00 0.00 H new ATOM 705 N PRO A 49 4.771 14.274 2.495 1.00 0.00 N ATOM 706 CA PRO A 49 5.067 12.889 2.117 1.00 0.00 C ATOM 707 C PRO A 49 3.839 11.989 2.203 1.00 0.00 C ATOM 708 O PRO A 49 3.018 12.128 3.110 1.00 0.00 O ATOM 709 CB PRO A 49 6.119 12.459 3.143 1.00 0.00 C ATOM 710 CG PRO A 49 5.874 13.331 4.325 1.00 0.00 C ATOM 711 CD PRO A 49 5.392 14.646 3.778 1.00 0.00 C ATOM 0 HA PRO A 49 5.403 12.811 1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.014 11.405 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.129 12.593 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.131 12.889 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.785 13.462 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.676 15.122 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.214 15.349 3.638 1.00 0.00 H new ATOM 719 N PHE A 50 3.721 11.066 1.255 1.00 0.00 N ATOM 720 CA PHE A 50 2.592 10.142 1.224 1.00 0.00 C ATOM 721 C PHE A 50 2.986 8.823 0.566 1.00 0.00 C ATOM 722 O PHE A 50 3.726 8.804 -0.418 1.00 0.00 O ATOM 723 CB PHE A 50 1.415 10.768 0.473 1.00 0.00 C ATOM 724 CG PHE A 50 1.667 10.945 -0.997 1.00 0.00 C ATOM 725 CD1 PHE A 50 2.474 11.974 -1.456 1.00 0.00 C ATOM 726 CD2 PHE A 50 1.098 10.082 -1.920 1.00 0.00 C ATOM 727 CE1 PHE A 50 2.707 12.139 -2.808 1.00 0.00 C ATOM 728 CE2 PHE A 50 1.328 10.242 -3.273 1.00 0.00 C ATOM 729 CZ PHE A 50 2.134 11.272 -3.718 1.00 0.00 C ATOM 0 H PHE A 50 4.392 10.937 0.498 1.00 0.00 H new ATOM 0 HA PHE A 50 2.292 9.939 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.533 10.142 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.188 11.739 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.926 12.654 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.467 9.275 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.337 12.946 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.878 9.563 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.316 11.399 -4.775 1.00 0.00 H new ATOM 739 N VAL A 51 2.487 7.722 1.117 1.00 0.00 N ATOM 740 CA VAL A 51 2.785 6.398 0.584 1.00 0.00 C ATOM 741 C VAL A 51 1.762 5.984 -0.468 1.00 0.00 C ATOM 742 O VAL A 51 0.594 6.369 -0.399 1.00 0.00 O ATOM 743 CB VAL A 51 2.815 5.337 1.701 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.258 3.991 1.147 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.726 5.783 2.834 1.00 0.00 C ATOM 0 H VAL A 51 1.874 7.720 1.932 1.00 0.00 H new ATOM 0 HA VAL A 51 3.771 6.458 0.123 1.00 0.00 H new ATOM 0 HB VAL A 51 1.807 5.224 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.273 3.254 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.562 3.669 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.257 4.084 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.735 5.022 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.737 5.925 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.359 6.722 3.248 1.00 0.00 H new ATOM 755 N LYS A 52 2.207 5.197 -1.441 1.00 0.00 N ATOM 756 CA LYS A 52 1.330 4.729 -2.508 1.00 0.00 C ATOM 757 C LYS A 52 1.545 3.243 -2.775 1.00 0.00 C ATOM 758 O LYS A 52 2.620 2.830 -3.211 1.00 0.00 O ATOM 759 CB LYS A 52 1.579 5.529 -3.788 1.00 0.00 C ATOM 760 CG LYS A 52 0.753 6.801 -3.881 1.00 0.00 C ATOM 761 CD LYS A 52 0.434 7.155 -5.324 1.00 0.00 C ATOM 762 CE LYS A 52 1.614 7.829 -6.006 1.00 0.00 C ATOM 763 NZ LYS A 52 1.487 7.801 -7.490 1.00 0.00 N ATOM 0 H LYS A 52 3.170 4.869 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 52 0.298 4.878 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.636 5.787 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.358 4.899 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.175 6.675 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.296 7.623 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.164 6.251 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.432 7.816 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.688 8.862 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.537 7.330 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.294 8.300 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.476 6.814 -7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.602 8.269 -7.772 1.00 0.00 H new ATOM 777 N ILE A 53 0.515 2.445 -2.513 1.00 0.00 N ATOM 778 CA ILE A 53 0.591 1.005 -2.728 1.00 0.00 C ATOM 779 C ILE A 53 0.263 0.647 -4.173 1.00 0.00 C ATOM 780 O ILE A 53 -0.669 1.194 -4.763 1.00 0.00 O ATOM 781 CB ILE A 53 -0.368 0.245 -1.792 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.134 0.662 -0.339 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.185 -1.257 -1.954 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.378 0.586 0.519 1.00 0.00 C ATOM 0 H ILE A 53 -0.381 2.771 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 53 1.615 0.706 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.393 0.498 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.636 0.024 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.249 1.682 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.869 -1.781 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.396 -1.540 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.842 -1.527 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.138 0.896 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.143 1.246 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.750 -0.438 0.530 1.00 0.00 H new ATOM 796 N TYR A 54 1.034 -0.276 -4.738 1.00 0.00 N ATOM 797 CA TYR A 54 0.827 -0.707 -6.115 1.00 0.00 C ATOM 798 C TYR A 54 1.097 -2.201 -6.265 1.00 0.00 C ATOM 799 O TYR A 54 2.179 -2.685 -5.929 1.00 0.00 O ATOM 800 CB TYR A 54 1.732 0.084 -7.061 1.00 0.00 C ATOM 801 CG TYR A 54 1.133 1.395 -7.517 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.219 1.437 -8.564 1.00 0.00 C ATOM 803 CD2 TYR A 54 1.481 2.592 -6.903 1.00 0.00 C ATOM 804 CE1 TYR A 54 -0.330 2.633 -8.984 1.00 0.00 C ATOM 805 CE2 TYR A 54 0.935 3.792 -7.316 1.00 0.00 C ATOM 806 CZ TYR A 54 0.030 3.807 -8.357 1.00 0.00 C ATOM 807 OH TYR A 54 -0.514 5.001 -8.772 1.00 0.00 O ATOM 0 H TYR A 54 1.808 -0.740 -4.263 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.214 -0.517 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.681 0.282 -6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.953 -0.528 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.066 0.519 -9.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.191 2.584 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.038 2.648 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.215 4.713 -6.827 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.156 5.731 -8.225 1.00 0.00 H new ATOM 817 N LEU A 55 0.107 -2.927 -6.771 1.00 0.00 N ATOM 818 CA LEU A 55 0.236 -4.367 -6.967 1.00 0.00 C ATOM 819 C LEU A 55 0.722 -4.683 -8.378 1.00 0.00 C ATOM 820 O LEU A 55 -0.076 -4.961 -9.274 1.00 0.00 O ATOM 821 CB LEU A 55 -1.104 -5.059 -6.710 1.00 0.00 C ATOM 822 CG LEU A 55 -1.540 -5.154 -5.248 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.804 -5.990 -5.122 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.424 -5.738 -4.395 1.00 0.00 C ATOM 0 H LEU A 55 -0.795 -2.542 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 55 0.973 -4.741 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.877 -4.528 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.054 -6.068 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.756 -4.149 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.100 -6.047 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.604 -5.529 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.615 -6.995 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.753 -5.798 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.175 -6.736 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.456 -5.099 -4.460 1.00 0.00 H new ATOM 836 N LEU A 56 2.036 -4.640 -8.569 1.00 0.00 N ATOM 837 CA LEU A 56 2.630 -4.925 -9.871 1.00 0.00 C ATOM 838 C LEU A 56 2.606 -6.421 -10.165 1.00 0.00 C ATOM 839 O LEU A 56 2.643 -7.257 -9.262 1.00 0.00 O ATOM 840 CB LEU A 56 4.069 -4.406 -9.921 1.00 0.00 C ATOM 841 CG LEU A 56 4.300 -3.012 -9.339 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.771 -2.807 -9.013 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.813 -1.943 -10.307 1.00 0.00 C ATOM 0 H LEU A 56 2.711 -4.411 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 56 2.039 -4.415 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.707 -5.111 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.397 -4.403 -10.960 1.00 0.00 H new ATOM 0 HG LEU A 56 3.728 -2.926 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.916 -1.809 -8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.089 -3.552 -8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.363 -2.913 -9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.985 -0.957 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.357 -2.029 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.747 -2.077 -10.491 1.00 0.00 H new ATOM 855 N PRO A 57 2.544 -6.769 -11.459 1.00 0.00 N ATOM 856 CA PRO A 57 2.499 -5.782 -12.543 1.00 0.00 C ATOM 857 C PRO A 57 1.176 -5.025 -12.582 1.00 0.00 C ATOM 858 O PRO A 57 1.137 -3.842 -12.919 1.00 0.00 O ATOM 859 CB PRO A 57 2.665 -6.633 -13.804 1.00 0.00 C ATOM 860 CG PRO A 57 2.169 -7.984 -13.418 1.00 0.00 C ATOM 861 CD PRO A 57 2.513 -8.152 -11.964 1.00 0.00 C ATOM 0 HA PRO A 57 3.263 -5.014 -12.427 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.092 -6.224 -14.636 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.707 -6.670 -14.122 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.094 -8.065 -13.576 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.639 -8.760 -14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.769 -8.754 -11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.474 -8.649 -11.833 1.00 0.00 H new ATOM 869 N ASP A 58 0.095 -5.714 -12.234 1.00 0.00 N ATOM 870 CA ASP A 58 -1.231 -5.105 -12.229 1.00 0.00 C ATOM 871 C ASP A 58 -1.146 -3.623 -11.878 1.00 0.00 C ATOM 872 O ASP A 58 -0.554 -3.245 -10.867 1.00 0.00 O ATOM 873 CB ASP A 58 -2.142 -5.826 -11.234 1.00 0.00 C ATOM 874 CG ASP A 58 -2.881 -6.989 -11.864 1.00 0.00 C ATOM 875 OD1 ASP A 58 -2.865 -7.099 -13.108 1.00 0.00 O ATOM 876 OD2 ASP A 58 -3.474 -7.791 -11.113 1.00 0.00 O ATOM 0 H ASP A 58 0.110 -6.694 -11.952 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.652 -5.200 -13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.546 -6.189 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.864 -5.118 -10.828 1.00 0.00 H new ATOM 881 N LYS A 59 -1.740 -2.786 -12.722 1.00 0.00 N ATOM 882 CA LYS A 59 -1.733 -1.344 -12.503 1.00 0.00 C ATOM 883 C LYS A 59 -3.148 -0.777 -12.569 1.00 0.00 C ATOM 884 O LYS A 59 -3.349 0.372 -12.963 1.00 0.00 O ATOM 885 CB LYS A 59 -0.847 -0.654 -13.543 1.00 0.00 C ATOM 886 CG LYS A 59 0.639 -0.887 -13.325 1.00 0.00 C ATOM 887 CD LYS A 59 1.465 0.289 -13.818 1.00 0.00 C ATOM 888 CE LYS A 59 2.916 -0.107 -14.048 1.00 0.00 C ATOM 889 NZ LYS A 59 3.073 -0.958 -15.260 1.00 0.00 N ATOM 0 H LYS A 59 -2.233 -3.082 -13.565 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.330 -1.155 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.121 -1.011 -14.536 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.045 0.418 -13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.831 -1.049 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.947 -1.793 -13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.039 0.671 -14.746 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.419 1.099 -13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.525 0.791 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.288 -0.645 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.075 -0.983 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.747 -1.923 -15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.507 -0.562 -16.038 1.00 0.00 H new ATOM 903 N LYS A 60 -4.125 -1.589 -12.180 1.00 0.00 N ATOM 904 CA LYS A 60 -5.521 -1.168 -12.193 1.00 0.00 C ATOM 905 C LYS A 60 -5.954 -0.681 -10.814 1.00 0.00 C ATOM 906 O LYS A 60 -6.142 0.517 -10.598 1.00 0.00 O ATOM 907 CB LYS A 60 -6.419 -2.322 -12.643 1.00 0.00 C ATOM 908 CG LYS A 60 -7.877 -1.930 -12.805 1.00 0.00 C ATOM 909 CD LYS A 60 -8.147 -1.340 -14.179 1.00 0.00 C ATOM 910 CE LYS A 60 -8.161 -2.416 -15.254 1.00 0.00 C ATOM 911 NZ LYS A 60 -8.744 -1.916 -16.530 1.00 0.00 N ATOM 0 H LYS A 60 -3.976 -2.543 -11.852 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.620 -0.343 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.049 -2.711 -13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.348 -3.132 -11.917 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.509 -2.805 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.147 -1.205 -12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.105 -0.820 -14.171 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.383 -0.599 -14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.144 -2.766 -15.432 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.736 -3.273 -14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.736 -2.678 -17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.723 -1.606 -16.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.181 -1.114 -16.878 1.00 0.00 H new ATOM 925 N HIS A 61 -6.109 -1.616 -9.882 1.00 0.00 N ATOM 926 CA HIS A 61 -6.518 -1.281 -8.523 1.00 0.00 C ATOM 927 C HIS A 61 -5.316 -0.863 -7.681 1.00 0.00 C ATOM 928 O HIS A 61 -4.486 -1.693 -7.309 1.00 0.00 O ATOM 929 CB HIS A 61 -7.222 -2.471 -7.871 1.00 0.00 C ATOM 930 CG HIS A 61 -8.090 -2.092 -6.711 1.00 0.00 C ATOM 931 ND1 HIS A 61 -9.395 -1.669 -6.854 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.834 -2.076 -5.382 1.00 0.00 C ATOM 933 CE1 HIS A 61 -9.903 -1.407 -5.663 1.00 0.00 C ATOM 934 NE2 HIS A 61 -8.977 -1.646 -4.753 1.00 0.00 N ATOM 0 H HIS A 61 -5.957 -2.612 -10.043 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.212 -0.442 -8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.831 -2.977 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.472 -3.186 -7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.905 -2.350 -4.905 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.906 -1.057 -5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.092 -1.530 -3.746 1.00 0.00 H new ATOM 943 N LYS A 62 -5.227 0.430 -7.385 1.00 0.00 N ATOM 944 CA LYS A 62 -4.128 0.959 -6.588 1.00 0.00 C ATOM 945 C LYS A 62 -4.651 1.678 -5.349 1.00 0.00 C ATOM 946 O LYS A 62 -5.764 2.207 -5.349 1.00 0.00 O ATOM 947 CB LYS A 62 -3.278 1.917 -7.426 1.00 0.00 C ATOM 948 CG LYS A 62 -3.891 3.298 -7.580 1.00 0.00 C ATOM 949 CD LYS A 62 -3.503 3.936 -8.904 1.00 0.00 C ATOM 950 CE LYS A 62 -3.897 5.404 -8.951 1.00 0.00 C ATOM 951 NZ LYS A 62 -3.123 6.153 -9.980 1.00 0.00 N ATOM 0 H LYS A 62 -5.904 1.131 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.510 0.121 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.295 2.014 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.126 1.484 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.977 3.225 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.565 3.936 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.427 3.842 -9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.986 3.402 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.962 5.487 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.733 5.856 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.294 7.173 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.108 5.957 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.426 5.853 -10.929 1.00 0.00 H new ATOM 965 N LEU A 63 -3.843 1.696 -4.295 1.00 0.00 N ATOM 966 CA LEU A 63 -4.224 2.352 -3.049 1.00 0.00 C ATOM 967 C LEU A 63 -3.083 3.213 -2.515 1.00 0.00 C ATOM 968 O LEU A 63 -1.933 3.055 -2.921 1.00 0.00 O ATOM 969 CB LEU A 63 -4.625 1.311 -2.003 1.00 0.00 C ATOM 970 CG LEU A 63 -5.708 1.737 -1.012 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.911 2.307 -1.748 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.123 0.563 -0.137 1.00 0.00 C ATOM 0 H LEU A 63 -2.919 1.264 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.077 2.999 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.968 0.417 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.735 1.030 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.298 2.516 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.672 2.605 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.603 3.176 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.321 1.550 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.895 0.885 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.513 -0.238 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.258 0.200 0.419 1.00 0.00 H new ATOM 984 N GLU A 64 -3.412 4.121 -1.602 1.00 0.00 N ATOM 985 CA GLU A 64 -2.413 5.006 -1.013 1.00 0.00 C ATOM 986 C GLU A 64 -2.801 5.390 0.413 1.00 0.00 C ATOM 987 O GLU A 64 -3.901 5.085 0.873 1.00 0.00 O ATOM 988 CB GLU A 64 -2.249 6.266 -1.865 1.00 0.00 C ATOM 989 CG GLU A 64 -3.338 7.300 -1.639 1.00 0.00 C ATOM 990 CD GLU A 64 -4.723 6.686 -1.579 1.00 0.00 C ATOM 991 OE1 GLU A 64 -5.226 6.251 -2.636 1.00 0.00 O ATOM 992 OE2 GLU A 64 -5.303 6.639 -0.474 1.00 0.00 O ATOM 0 H GLU A 64 -4.360 4.263 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.464 4.471 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.281 6.717 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.241 5.984 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.140 7.833 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.306 8.037 -2.441 1.00 0.00 H new ATOM 999 N THR A 65 -1.887 6.061 1.108 1.00 0.00 N ATOM 1000 CA THR A 65 -2.131 6.485 2.480 1.00 0.00 C ATOM 1001 C THR A 65 -2.535 7.954 2.538 1.00 0.00 C ATOM 1002 O THR A 65 -2.492 8.661 1.531 1.00 0.00 O ATOM 1003 CB THR A 65 -0.887 6.271 3.364 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.266 6.837 2.731 1.00 0.00 O ATOM 1005 CG2 THR A 65 -0.655 4.790 3.622 1.00 0.00 C ATOM 0 H THR A 65 -0.971 6.322 0.742 1.00 0.00 H new ATOM 0 HA THR A 65 -2.948 5.871 2.860 1.00 0.00 H new ATOM 0 HB THR A 65 -1.057 6.767 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.286 7.803 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.228 4.664 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.523 4.369 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.504 4.275 2.673 1.00 0.00 H new ATOM 1013 N LYS A 66 -2.927 8.409 3.723 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.337 9.795 3.914 1.00 0.00 C ATOM 1015 C LYS A 66 -2.232 10.754 3.482 1.00 0.00 C ATOM 1016 O LYS A 66 -1.174 10.329 3.018 1.00 0.00 O ATOM 1017 CB LYS A 66 -3.698 10.044 5.380 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.893 9.237 5.858 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.204 9.908 5.487 1.00 0.00 C ATOM 1020 CE LYS A 66 -6.581 10.987 6.491 1.00 0.00 C ATOM 1021 NZ LYS A 66 -7.409 10.445 7.603 1.00 0.00 N ATOM 0 H LYS A 66 -2.969 7.837 4.567 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.215 9.977 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.836 9.805 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.908 11.105 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.858 8.239 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.840 9.113 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.121 10.347 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.996 9.161 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.675 11.436 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.130 11.780 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.645 11.211 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.285 10.039 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.876 9.706 8.104 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.484 12.049 3.639 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.510 13.068 3.267 1.00 0.00 C ATOM 1037 C VAL A 67 -1.374 14.123 4.359 1.00 0.00 C ATOM 1038 O VAL A 67 -2.197 15.033 4.465 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.897 13.760 1.946 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -1.000 14.961 1.690 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.826 12.775 0.789 1.00 0.00 C ATOM 0 H VAL A 67 -3.355 12.418 4.021 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.555 12.559 3.136 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.924 14.115 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.288 15.437 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.106 15.675 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.038 14.633 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.102 13.280 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.811 12.388 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.514 11.950 0.971 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.329 13.996 5.170 1.00 0.00 N ATOM 1052 CA LYS A 68 -0.082 14.939 6.255 1.00 0.00 C ATOM 1053 C LYS A 68 0.774 16.107 5.776 1.00 0.00 C ATOM 1054 O LYS A 68 1.950 15.935 5.455 1.00 0.00 O ATOM 1055 CB LYS A 68 0.607 14.233 7.425 1.00 0.00 C ATOM 1056 CG LYS A 68 -0.111 12.976 7.885 1.00 0.00 C ATOM 1057 CD LYS A 68 -1.138 13.283 8.962 1.00 0.00 C ATOM 1058 CE LYS A 68 -2.031 12.083 9.239 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.903 12.304 10.425 1.00 0.00 N ATOM 0 H LYS A 68 0.361 13.249 5.096 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.043 15.329 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.625 13.974 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.682 14.926 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.604 12.506 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.616 12.260 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.628 13.578 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.750 14.130 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.650 11.882 8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.413 11.200 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.496 11.464 10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.312 12.471 11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.511 13.131 10.260 1.00 0.00 H new ATOM 1073 N ARG A 69 0.177 17.293 5.732 1.00 0.00 N ATOM 1074 CA ARG A 69 0.886 18.489 5.293 1.00 0.00 C ATOM 1075 C ARG A 69 1.917 18.922 6.331 1.00 0.00 C ATOM 1076 O ARG A 69 1.714 18.750 7.533 1.00 0.00 O ATOM 1077 CB ARG A 69 -0.103 19.628 5.035 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.893 19.467 3.747 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.095 19.936 2.540 1.00 0.00 C ATOM 1080 NE ARG A 69 -0.281 21.361 2.282 1.00 0.00 N ATOM 1081 CZ ARG A 69 0.585 22.103 1.599 1.00 0.00 C ATOM 1082 NH1 ARG A 69 1.689 21.557 1.109 1.00 0.00 N ATOM 1083 NH2 ARG A 69 0.346 23.394 1.405 1.00 0.00 N ATOM 0 H ARG A 69 -0.796 17.452 5.995 1.00 0.00 H new ATOM 0 HA ARG A 69 1.407 18.252 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.798 19.691 5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.442 20.571 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.170 18.421 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.820 20.036 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.963 19.732 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.397 19.366 1.662 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.121 21.811 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.876 20.565 1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.352 22.129 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.503 23.818 1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.011 23.963 0.881 1.00 0.00 H new ATOM 1097 N LYS A 70 3.024 19.485 5.859 1.00 0.00 N ATOM 1098 CA LYS A 70 4.087 19.944 6.745 1.00 0.00 C ATOM 1099 C LYS A 70 4.472 18.856 7.743 1.00 0.00 C ATOM 1100 O LYS A 70 4.454 19.077 8.953 1.00 0.00 O ATOM 1101 CB LYS A 70 3.648 21.205 7.493 1.00 0.00 C ATOM 1102 CG LYS A 70 2.914 22.206 6.618 1.00 0.00 C ATOM 1103 CD LYS A 70 3.847 22.853 5.608 1.00 0.00 C ATOM 1104 CE LYS A 70 3.879 22.076 4.301 1.00 0.00 C ATOM 1105 NZ LYS A 70 4.757 22.728 3.289 1.00 0.00 N ATOM 0 H LYS A 70 3.208 19.634 4.867 1.00 0.00 H new ATOM 0 HA LYS A 70 4.959 20.177 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.002 20.919 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.526 21.686 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.100 21.705 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.463 22.976 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.524 23.876 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.853 22.909 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.233 21.062 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.867 21.992 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.752 22.168 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.405 23.686 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.728 22.786 3.657 1.00 0.00 H new ATOM 1119 N ASN A 71 4.819 17.682 7.226 1.00 0.00 N ATOM 1120 CA ASN A 71 5.209 16.560 8.073 1.00 0.00 C ATOM 1121 C ASN A 71 6.121 15.599 7.317 1.00 0.00 C ATOM 1122 O ASN A 71 5.690 14.921 6.383 1.00 0.00 O ATOM 1123 CB ASN A 71 3.969 15.817 8.573 1.00 0.00 C ATOM 1124 CG ASN A 71 3.414 16.413 9.852 1.00 0.00 C ATOM 1125 OD1 ASN A 71 2.750 17.450 9.830 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.684 15.759 10.976 1.00 0.00 N ATOM 0 H ASN A 71 4.838 17.483 6.226 1.00 0.00 H new ATOM 0 HA ASN A 71 5.757 16.956 8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.200 15.840 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.220 14.770 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.337 16.113 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.238 14.903 10.948 1.00 0.00 H new ATOM 1133 N LEU A 72 7.384 15.545 7.726 1.00 0.00 N ATOM 1134 CA LEU A 72 8.358 14.666 7.088 1.00 0.00 C ATOM 1135 C LEU A 72 8.341 13.281 7.725 1.00 0.00 C ATOM 1136 O LEU A 72 8.596 12.278 7.060 1.00 0.00 O ATOM 1137 CB LEU A 72 9.760 15.269 7.189 1.00 0.00 C ATOM 1138 CG LEU A 72 9.959 16.623 6.507 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.340 17.179 6.818 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.758 16.499 5.004 1.00 0.00 C ATOM 0 H LEU A 72 7.758 16.099 8.496 1.00 0.00 H new ATOM 0 HA LEU A 72 8.087 14.565 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.013 15.375 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.470 14.561 6.761 1.00 0.00 H new ATOM 0 HG LEU A 72 9.214 17.317 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.464 18.143 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.447 17.307 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.101 16.486 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.904 17.473 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.479 15.790 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.747 16.146 4.800 1.00 0.00 H new ATOM 1152 N ASN A 73 8.036 13.233 9.018 1.00 0.00 N ATOM 1153 CA ASN A 73 7.983 11.970 9.745 1.00 0.00 C ATOM 1154 C ASN A 73 6.591 11.732 10.322 1.00 0.00 C ATOM 1155 O ASN A 73 6.424 11.450 11.509 1.00 0.00 O ATOM 1156 CB ASN A 73 9.022 11.960 10.868 1.00 0.00 C ATOM 1157 CG ASN A 73 10.385 12.432 10.399 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.842 12.065 9.317 1.00 0.00 O ATOM 1159 ND2 ASN A 73 11.041 13.250 11.214 1.00 0.00 N ATOM 0 H ASN A 73 7.822 14.054 9.584 1.00 0.00 H new ATOM 0 HA ASN A 73 8.208 11.166 9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.679 12.599 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.109 10.951 11.270 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.962 13.600 10.952 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.623 13.528 12.102 1.00 0.00 H new ATOM 1166 N PRO A 74 5.567 11.848 9.464 1.00 0.00 N ATOM 1167 CA PRO A 74 4.171 11.648 9.866 1.00 0.00 C ATOM 1168 C PRO A 74 3.864 10.190 10.189 1.00 0.00 C ATOM 1169 O PRO A 74 4.645 9.294 9.868 1.00 0.00 O ATOM 1170 CB PRO A 74 3.380 12.102 8.637 1.00 0.00 C ATOM 1171 CG PRO A 74 4.316 11.914 7.493 1.00 0.00 C ATOM 1172 CD PRO A 74 5.692 12.182 8.036 1.00 0.00 C ATOM 0 HA PRO A 74 3.926 12.198 10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.474 11.510 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.070 13.143 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.245 10.903 7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.078 12.597 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.445 11.566 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.986 13.222 7.891 1.00 0.00 H new ATOM 1180 N HIS A 75 2.720 9.958 10.826 1.00 0.00 N ATOM 1181 CA HIS A 75 2.309 8.607 11.191 1.00 0.00 C ATOM 1182 C HIS A 75 0.954 8.267 10.577 1.00 0.00 C ATOM 1183 O HIS A 75 -0.059 8.886 10.902 1.00 0.00 O ATOM 1184 CB HIS A 75 2.242 8.466 12.712 1.00 0.00 C ATOM 1185 CG HIS A 75 1.597 9.632 13.395 1.00 0.00 C ATOM 1186 ND1 HIS A 75 2.315 10.662 13.965 1.00 0.00 N ATOM 1187 CD2 HIS A 75 0.291 9.929 13.595 1.00 0.00 C ATOM 1188 CE1 HIS A 75 1.479 11.542 14.488 1.00 0.00 C ATOM 1189 NE2 HIS A 75 0.245 11.121 14.277 1.00 0.00 N ATOM 0 H HIS A 75 2.062 10.688 11.100 1.00 0.00 H new ATOM 0 HA HIS A 75 3.050 7.910 10.801 1.00 0.00 H new ATOM 0 HB2 HIS A 75 1.690 7.559 12.960 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.252 8.341 13.102 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -0.556 9.339 13.278 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.758 12.451 15.001 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.604 11.603 14.572 1.00 0.00 H new ATOM 1198 N TRP A 76 0.945 7.281 9.687 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.285 6.859 9.026 1.00 0.00 C ATOM 1200 C TRP A 76 -0.970 5.746 9.811 1.00 0.00 C ATOM 1201 O TRP A 76 -2.127 5.877 10.210 1.00 0.00 O ATOM 1202 CB TRP A 76 0.012 6.387 7.602 1.00 0.00 C ATOM 1203 CG TRP A 76 0.532 7.476 6.712 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.171 8.537 6.219 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.866 7.607 6.209 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.645 9.320 5.439 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.900 8.772 5.418 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.036 6.856 6.352 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.057 9.200 4.773 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.183 7.282 5.711 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.188 8.445 4.930 1.00 0.00 C ATOM 0 H TRP A 76 1.775 6.759 9.406 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.957 7.716 8.984 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.742 5.579 7.640 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.898 5.975 7.166 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.215 8.732 6.414 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.362 10.172 4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.043 5.959 6.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.062 10.096 4.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.092 6.708 5.814 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.102 8.752 4.442 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.249 4.651 10.030 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.789 3.515 10.767 1.00 0.00 C ATOM 1224 C ASN A 77 -2.171 3.134 10.245 1.00 0.00 C ATOM 1225 O ASN A 77 -3.068 2.801 11.019 1.00 0.00 O ATOM 1226 CB ASN A 77 -0.868 3.840 12.260 1.00 0.00 C ATOM 1227 CG ASN A 77 0.368 4.563 12.760 1.00 0.00 C ATOM 1228 OD1 ASN A 77 0.644 5.694 12.358 1.00 0.00 O ATOM 1229 ND2 ASN A 77 1.118 3.912 13.641 1.00 0.00 N ATOM 0 H ASN A 77 0.711 4.527 9.707 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.119 2.668 10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.747 4.456 12.449 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.998 2.916 12.824 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.962 4.348 14.013 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.850 2.976 13.946 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.334 3.186 8.926 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.607 2.847 8.301 1.00 0.00 C ATOM 1238 C GLU A 78 -3.636 1.378 7.887 1.00 0.00 C ATOM 1239 O GLU A 78 -2.598 0.783 7.594 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.855 3.737 7.082 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.554 5.044 7.414 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.896 4.833 8.089 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.664 3.965 7.626 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -6.176 5.536 9.083 1.00 0.00 O ATOM 0 H GLU A 78 -1.601 3.459 8.271 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.398 3.016 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.901 3.957 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.456 3.187 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.914 5.639 8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.698 5.617 6.498 1.00 0.00 H new ATOM 1251 N THR A 79 -4.832 0.798 7.866 1.00 0.00 N ATOM 1252 CA THR A 79 -4.997 -0.600 7.490 1.00 0.00 C ATOM 1253 C THR A 79 -5.887 -0.737 6.260 1.00 0.00 C ATOM 1254 O THR A 79 -7.049 -0.330 6.274 1.00 0.00 O ATOM 1255 CB THR A 79 -5.602 -1.424 8.642 1.00 0.00 C ATOM 1256 OG1 THR A 79 -4.816 -1.258 9.828 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.670 -2.899 8.275 1.00 0.00 C ATOM 0 H THR A 79 -5.701 1.276 8.105 1.00 0.00 H new ATOM 0 HA THR A 79 -4.003 -0.985 7.261 1.00 0.00 H new ATOM 0 HB THR A 79 -6.615 -1.064 8.824 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.208 -1.784 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.101 -3.461 9.104 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.292 -3.025 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.666 -3.269 8.069 1.00 0.00 H new ATOM 1265 N PHE A 80 -5.336 -1.315 5.198 1.00 0.00 N ATOM 1266 CA PHE A 80 -6.080 -1.506 3.959 1.00 0.00 C ATOM 1267 C PHE A 80 -6.461 -2.972 3.774 1.00 0.00 C ATOM 1268 O PHE A 80 -5.903 -3.857 4.423 1.00 0.00 O ATOM 1269 CB PHE A 80 -5.254 -1.027 2.763 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.751 0.381 2.908 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -5.578 1.458 2.633 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -3.451 0.627 3.318 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -5.117 2.754 2.764 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -2.984 1.921 3.452 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.819 2.986 3.175 1.00 0.00 C ATOM 0 H PHE A 80 -4.376 -1.659 5.171 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.994 -0.916 4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.404 -1.696 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.862 -1.096 1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.594 1.283 2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.794 -0.202 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.771 3.585 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.968 2.099 3.773 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.457 3.998 3.280 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.416 -3.221 2.884 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.873 -4.579 2.612 1.00 0.00 C ATOM 1287 C LEU A 81 -8.272 -4.737 1.148 1.00 0.00 C ATOM 1288 O LEU A 81 -9.173 -4.054 0.662 1.00 0.00 O ATOM 1289 CB LEU A 81 -9.056 -4.930 3.516 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.739 -5.102 5.001 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.016 -5.316 5.799 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.777 -6.263 5.210 1.00 0.00 C ATOM 0 H LEU A 81 -7.889 -2.500 2.339 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.049 -5.262 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.809 -4.149 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.504 -5.854 3.151 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.260 -4.190 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.770 -5.436 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.671 -4.454 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.523 -6.212 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.562 -6.371 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.229 -7.182 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.850 -6.069 4.671 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.595 -5.644 0.451 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.879 -5.893 -0.958 1.00 0.00 C ATOM 1306 C PHE A 82 -8.623 -7.213 -1.137 1.00 0.00 C ATOM 1307 O PHE A 82 -8.024 -8.287 -1.081 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.581 -5.912 -1.766 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.785 -4.643 -1.653 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -6.204 -3.488 -2.292 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.618 -4.606 -0.906 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.473 -2.319 -2.189 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.883 -3.440 -0.800 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.312 -2.295 -1.442 1.00 0.00 C ATOM 0 H PHE A 82 -6.846 -6.218 0.838 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.514 -5.086 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.966 -6.748 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.818 -6.090 -2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.112 -3.501 -2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.279 -5.498 -0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.810 -1.425 -2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.975 -3.425 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.740 -1.382 -1.360 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.932 -7.124 -1.352 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.757 -8.312 -1.538 1.00 0.00 C ATOM 1326 C GLU A 83 -10.946 -8.616 -3.022 1.00 0.00 C ATOM 1327 O GLU A 83 -11.059 -7.707 -3.844 1.00 0.00 O ATOM 1328 CB GLU A 83 -12.120 -8.123 -0.868 1.00 0.00 C ATOM 1329 CG GLU A 83 -12.031 -7.843 0.623 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.383 -7.894 1.308 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -14.200 -8.765 0.942 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.624 -7.064 2.209 1.00 0.00 O ATOM 0 H GLU A 83 -10.443 -6.243 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.245 -9.155 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.643 -7.299 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.721 -9.019 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.365 -8.571 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.586 -6.860 0.778 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.979 -9.902 -3.357 1.00 0.00 N ATOM 1340 CA GLY A 84 -11.153 -10.304 -4.740 1.00 0.00 C ATOM 1341 C GLY A 84 -9.927 -10.996 -5.302 1.00 0.00 C ATOM 1342 O GLY A 84 -10.030 -11.811 -6.219 1.00 0.00 O ATOM 0 H GLY A 84 -10.888 -10.673 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.010 -10.973 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.380 -9.426 -5.345 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.762 -10.670 -4.752 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.510 -11.263 -5.206 1.00 0.00 C ATOM 1348 C PHE A 85 -7.141 -12.474 -4.353 1.00 0.00 C ATOM 1349 O PHE A 85 -6.885 -12.365 -3.154 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.383 -10.229 -5.157 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.298 -9.377 -6.391 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.366 -8.584 -6.777 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.148 -9.369 -7.165 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.290 -7.800 -7.913 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -5.066 -8.587 -8.302 1.00 0.00 C ATOM 1356 CZ PHE A 85 -6.138 -7.801 -8.675 1.00 0.00 C ATOM 0 H PHE A 85 -8.659 -9.998 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.646 -11.593 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.529 -9.585 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.433 -10.745 -5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.268 -8.578 -6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.306 -9.981 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.130 -7.187 -8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.165 -8.591 -8.897 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.076 -7.188 -9.562 1.00 0.00 H new ATOM 1366 N PRO A 86 -7.114 -13.656 -4.986 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.778 -14.910 -4.305 1.00 0.00 C ATOM 1368 C PRO A 86 -5.308 -14.979 -3.908 1.00 0.00 C ATOM 1369 O PRO A 86 -4.454 -14.358 -4.542 1.00 0.00 O ATOM 1370 CB PRO A 86 -7.099 -15.979 -5.353 1.00 0.00 C ATOM 1371 CG PRO A 86 -6.973 -15.278 -6.661 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.409 -13.860 -6.414 1.00 0.00 C ATOM 0 HA PRO A 86 -7.330 -15.027 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.408 -16.819 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.103 -16.380 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.946 -15.313 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.596 -15.752 -7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.862 -13.156 -7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.469 -13.722 -6.629 1.00 0.00 H new ATOM 1380 N TYR A 87 -5.019 -15.736 -2.856 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.651 -15.884 -2.373 1.00 0.00 C ATOM 1382 C TYR A 87 -2.751 -16.472 -3.456 1.00 0.00 C ATOM 1383 O TYR A 87 -1.597 -16.071 -3.603 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.620 -16.775 -1.130 1.00 0.00 C ATOM 1385 CG TYR A 87 -2.243 -17.303 -0.797 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.667 -18.320 -1.548 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.517 -16.784 0.268 1.00 0.00 C ATOM 1388 CE1 TYR A 87 -0.409 -18.806 -1.248 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.258 -17.263 0.575 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.292 -18.274 -0.185 1.00 0.00 C ATOM 1391 OH TYR A 87 1.545 -18.754 0.118 1.00 0.00 O ATOM 0 H TYR A 87 -5.714 -16.257 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.276 -14.894 -2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.999 -16.210 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.296 -17.617 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.212 -18.738 -2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.944 -15.993 0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.023 -19.598 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.293 -16.848 1.406 1.00 0.00 H new ATOM 0 HH TYR A 87 1.901 -18.272 0.893 1.00 0.00 H new ATOM 1401 N GLU A 88 -3.290 -17.423 -4.212 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.536 -18.067 -5.282 1.00 0.00 C ATOM 1403 C GLU A 88 -2.035 -17.036 -6.289 1.00 0.00 C ATOM 1404 O GLU A 88 -1.022 -17.246 -6.958 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.403 -19.109 -5.991 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.434 -18.507 -6.930 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.982 -19.516 -7.920 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -4.358 -19.701 -8.986 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -6.034 -20.122 -7.628 1.00 0.00 O ATOM 0 H GLU A 88 -4.245 -17.765 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.674 -18.564 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.758 -19.782 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.915 -19.713 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.256 -18.095 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.983 -17.677 -7.475 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.750 -15.922 -6.393 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.380 -14.857 -7.317 1.00 0.00 C ATOM 1418 C LYS A 89 -1.580 -13.771 -6.604 1.00 0.00 C ATOM 1419 O LYS A 89 -0.512 -13.368 -7.066 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.631 -14.248 -7.954 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.247 -15.118 -9.037 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.219 -14.330 -9.899 1.00 0.00 C ATOM 1423 CE LYS A 89 -6.314 -15.223 -10.463 1.00 0.00 C ATOM 1424 NZ LYS A 89 -5.814 -16.078 -11.574 1.00 0.00 N ATOM 0 H LYS A 89 -3.591 -15.733 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.756 -15.290 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.374 -14.069 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.376 -13.278 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.458 -15.534 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.766 -15.959 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.668 -13.532 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.678 -13.854 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.712 -15.855 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.137 -14.606 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.590 -16.672 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.457 -15.475 -12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.045 -16.686 -11.225 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.102 -13.303 -5.475 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.435 -12.266 -4.697 1.00 0.00 C ATOM 1440 C VAL A 90 0.049 -12.572 -4.531 1.00 0.00 C ATOM 1441 O VAL A 90 0.888 -11.672 -4.567 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.075 -12.110 -3.305 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.392 -13.021 -2.298 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.015 -10.659 -2.851 1.00 0.00 C ATOM 0 H VAL A 90 -2.985 -13.626 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.551 -11.333 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.123 -12.403 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.858 -12.897 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.492 -14.058 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.335 -12.763 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.472 -10.567 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.975 -10.336 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.555 -10.033 -3.561 1.00 0.00 H new ATOM 1454 N VAL A 91 0.367 -13.850 -4.349 1.00 0.00 N ATOM 1455 CA VAL A 91 1.750 -14.277 -4.178 1.00 0.00 C ATOM 1456 C VAL A 91 2.566 -14.012 -5.438 1.00 0.00 C ATOM 1457 O VAL A 91 3.753 -13.693 -5.365 1.00 0.00 O ATOM 1458 CB VAL A 91 1.837 -15.774 -3.829 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.158 -16.052 -2.496 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.220 -16.616 -4.936 1.00 0.00 C ATOM 0 H VAL A 91 -0.315 -14.608 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 91 2.161 -13.695 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 91 2.888 -16.047 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.230 -17.115 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.649 -15.477 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.109 -15.763 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.290 -17.671 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.172 -16.342 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.755 -16.439 -5.869 1.00 0.00 H new ATOM 1470 N GLN A 92 1.922 -14.147 -6.593 1.00 0.00 N ATOM 1471 CA GLN A 92 2.589 -13.922 -7.870 1.00 0.00 C ATOM 1472 C GLN A 92 2.864 -12.437 -8.087 1.00 0.00 C ATOM 1473 O GLN A 92 3.711 -12.065 -8.898 1.00 0.00 O ATOM 1474 CB GLN A 92 1.737 -14.468 -9.017 1.00 0.00 C ATOM 1475 CG GLN A 92 1.474 -15.962 -8.922 1.00 0.00 C ATOM 1476 CD GLN A 92 0.906 -16.537 -10.204 1.00 0.00 C ATOM 1477 OE1 GLN A 92 1.463 -16.344 -11.285 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.209 -17.250 -10.091 1.00 0.00 N ATOM 0 H GLN A 92 0.940 -14.411 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 92 3.542 -14.450 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.784 -13.940 -9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.236 -14.255 -9.962 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.404 -16.476 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.780 -16.154 -8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.637 -17.385 -9.175 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.637 -17.663 -10.920 1.00 0.00 H new ATOM 1487 N ARG A 93 2.142 -11.594 -7.356 1.00 0.00 N ATOM 1488 CA ARG A 93 2.307 -10.150 -7.470 1.00 0.00 C ATOM 1489 C ARG A 93 3.389 -9.650 -6.517 1.00 0.00 C ATOM 1490 O ARG A 93 3.858 -10.389 -5.651 1.00 0.00 O ATOM 1491 CB ARG A 93 0.985 -9.439 -7.174 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.136 -9.816 -8.129 1.00 0.00 C ATOM 1493 CD ARG A 93 0.161 -9.353 -9.547 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.029 -9.384 -10.393 1.00 0.00 N ATOM 1495 CZ ARG A 93 -1.480 -10.483 -10.987 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -0.844 -11.636 -10.827 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -2.570 -10.431 -11.742 1.00 0.00 N ATOM 0 H ARG A 93 1.437 -11.886 -6.679 1.00 0.00 H new ATOM 0 HA ARG A 93 2.613 -9.924 -8.492 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.677 -9.673 -6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.143 -8.362 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.275 -10.897 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.071 -9.371 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.561 -8.339 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.932 -9.989 -9.982 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.542 -8.514 -10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.006 -11.680 -10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.193 -12.478 -11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.062 -9.546 -11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.915 -11.276 -12.198 1.00 0.00 H new ATOM 1511 N ILE A 94 3.782 -8.392 -6.685 1.00 0.00 N ATOM 1512 CA ILE A 94 4.808 -7.793 -5.840 1.00 0.00 C ATOM 1513 C ILE A 94 4.308 -6.506 -5.195 1.00 0.00 C ATOM 1514 O ILE A 94 3.534 -5.758 -5.795 1.00 0.00 O ATOM 1515 CB ILE A 94 6.089 -7.489 -6.640 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.829 -8.787 -6.972 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.990 -6.544 -5.859 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.608 -8.724 -8.267 1.00 0.00 C ATOM 0 H ILE A 94 3.406 -7.768 -7.398 1.00 0.00 H new ATOM 0 HA ILE A 94 5.039 -8.520 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 94 5.809 -7.003 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.513 -9.024 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.108 -9.602 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.891 -6.339 -6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.460 -5.610 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.265 -7.005 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.107 -9.678 -8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.926 -8.518 -9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.353 -7.931 -8.205 1.00 0.00 H new ATOM 1530 N LEU A 95 4.755 -6.251 -3.971 1.00 0.00 N ATOM 1531 CA LEU A 95 4.355 -5.051 -3.244 1.00 0.00 C ATOM 1532 C LEU A 95 5.245 -3.869 -3.611 1.00 0.00 C ATOM 1533 O LEU A 95 6.459 -3.907 -3.410 1.00 0.00 O ATOM 1534 CB LEU A 95 4.415 -5.301 -1.736 1.00 0.00 C ATOM 1535 CG LEU A 95 3.655 -4.305 -0.859 1.00 0.00 C ATOM 1536 CD1 LEU A 95 2.154 -4.476 -1.036 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.045 -4.474 0.602 1.00 0.00 C ATOM 0 H LEU A 95 5.395 -6.859 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 95 3.330 -4.810 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.026 -6.300 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.461 -5.300 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 95 3.924 -3.296 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.629 -3.759 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.889 -4.303 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.867 -5.488 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.494 -3.757 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.806 -5.486 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.115 -4.300 0.715 1.00 0.00 H new ATOM 1549 N TYR A 96 4.634 -2.819 -4.149 1.00 0.00 N ATOM 1550 CA TYR A 96 5.371 -1.625 -4.544 1.00 0.00 C ATOM 1551 C TYR A 96 4.930 -0.416 -3.725 1.00 0.00 C ATOM 1552 O TYR A 96 3.798 0.054 -3.850 1.00 0.00 O ATOM 1553 CB TYR A 96 5.170 -1.346 -6.035 1.00 0.00 C ATOM 1554 CG TYR A 96 6.154 -0.349 -6.603 1.00 0.00 C ATOM 1555 CD1 TYR A 96 7.487 -0.691 -6.793 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.751 0.934 -6.950 1.00 0.00 C ATOM 1557 CE1 TYR A 96 8.391 0.217 -7.311 1.00 0.00 C ATOM 1558 CE2 TYR A 96 6.647 1.848 -7.470 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.966 1.485 -7.648 1.00 0.00 C ATOM 1560 OH TYR A 96 8.862 2.392 -8.166 1.00 0.00 O ATOM 0 H TYR A 96 3.630 -2.771 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 96 6.429 -1.803 -4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.256 -2.283 -6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.157 -0.975 -6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.823 -1.684 -6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.719 1.222 -6.811 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.424 -0.065 -7.451 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.317 2.841 -7.736 1.00 0.00 H new ATOM 0 HH TYR A 96 9.776 2.075 -8.008 1.00 0.00 H new ATOM 1570 N LEU A 97 5.831 0.083 -2.887 1.00 0.00 N ATOM 1571 CA LEU A 97 5.537 1.239 -2.047 1.00 0.00 C ATOM 1572 C LEU A 97 6.416 2.426 -2.427 1.00 0.00 C ATOM 1573 O LEU A 97 7.643 2.326 -2.431 1.00 0.00 O ATOM 1574 CB LEU A 97 5.745 0.888 -0.572 1.00 0.00 C ATOM 1575 CG LEU A 97 5.100 -0.414 -0.095 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.869 -0.990 1.083 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.643 -0.182 0.278 1.00 0.00 C ATOM 0 H LEU A 97 6.771 -0.294 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 97 4.495 1.517 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.816 0.831 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.356 1.706 0.034 1.00 0.00 H new ATOM 0 HG LEU A 97 5.134 -1.135 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.395 -1.916 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.896 -1.194 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.867 -0.273 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.200 -1.119 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.585 0.555 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.098 0.184 -0.592 1.00 0.00 H new ATOM 1589 N GLN A 98 5.780 3.549 -2.744 1.00 0.00 N ATOM 1590 CA GLN A 98 6.504 4.756 -3.123 1.00 0.00 C ATOM 1591 C GLN A 98 6.058 5.947 -2.281 1.00 0.00 C ATOM 1592 O GLN A 98 4.863 6.210 -2.143 1.00 0.00 O ATOM 1593 CB GLN A 98 6.292 5.058 -4.608 1.00 0.00 C ATOM 1594 CG GLN A 98 7.200 6.154 -5.142 1.00 0.00 C ATOM 1595 CD GLN A 98 7.076 6.336 -6.642 1.00 0.00 C ATOM 1596 OE1 GLN A 98 6.018 6.093 -7.223 1.00 0.00 O ATOM 1597 NE2 GLN A 98 8.160 6.764 -7.278 1.00 0.00 N ATOM 0 H GLN A 98 4.765 3.648 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 98 7.565 4.584 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.459 4.147 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.254 5.349 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.960 7.094 -4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.234 5.917 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.016 6.953 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.137 6.904 -8.288 1.00 0.00 H new ATOM 1606 N VAL A 99 7.026 6.665 -1.720 1.00 0.00 N ATOM 1607 CA VAL A 99 6.733 7.828 -0.891 1.00 0.00 C ATOM 1608 C VAL A 99 7.075 9.122 -1.621 1.00 0.00 C ATOM 1609 O VAL A 99 8.245 9.479 -1.760 1.00 0.00 O ATOM 1610 CB VAL A 99 7.510 7.781 0.438 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.265 9.046 1.245 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.123 6.545 1.237 1.00 0.00 C ATOM 0 H VAL A 99 8.020 6.461 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 99 5.664 7.804 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 99 8.575 7.723 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.822 8.994 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.596 9.913 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.201 9.139 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.681 6.527 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.055 6.570 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.356 5.651 0.659 1.00 0.00 H new ATOM 1622 N LEU A 100 6.045 9.822 -2.086 1.00 0.00 N ATOM 1623 CA LEU A 100 6.236 11.079 -2.802 1.00 0.00 C ATOM 1624 C LEU A 100 5.682 12.252 -1.999 1.00 0.00 C ATOM 1625 O LEU A 100 5.025 12.062 -0.976 1.00 0.00 O ATOM 1626 CB LEU A 100 5.556 11.017 -4.171 1.00 0.00 C ATOM 1627 CG LEU A 100 5.781 9.735 -4.974 1.00 0.00 C ATOM 1628 CD1 LEU A 100 4.908 8.610 -4.440 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.500 9.975 -6.450 1.00 0.00 C ATOM 0 H LEU A 100 5.070 9.541 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 100 7.306 11.231 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.484 11.149 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.905 11.861 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 100 6.825 9.440 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.082 7.706 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.157 8.421 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.859 8.896 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.665 9.052 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.466 10.295 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.168 10.750 -6.826 1.00 0.00 H new ATOM 1641 N ASP A 101 5.950 13.464 -2.472 1.00 0.00 N ATOM 1642 CA ASP A 101 5.476 14.669 -1.800 1.00 0.00 C ATOM 1643 C ASP A 101 4.261 15.248 -2.518 1.00 0.00 C ATOM 1644 O ASP A 101 4.384 15.837 -3.592 1.00 0.00 O ATOM 1645 CB ASP A 101 6.591 15.714 -1.734 1.00 0.00 C ATOM 1646 CG ASP A 101 6.921 16.295 -3.095 1.00 0.00 C ATOM 1647 OD1 ASP A 101 7.622 15.618 -3.876 1.00 0.00 O ATOM 1648 OD2 ASP A 101 6.477 17.427 -3.379 1.00 0.00 O ATOM 0 H ASP A 101 6.493 13.638 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 101 5.182 14.399 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.292 16.518 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.486 15.260 -1.309 1.00 0.00 H new ATOM 1791 N PRO A 110 9.070 11.857 -7.065 1.00 0.00 N ATOM 1792 CA PRO A 110 9.165 10.662 -6.220 1.00 0.00 C ATOM 1793 C PRO A 110 10.434 10.649 -5.376 1.00 0.00 C ATOM 1794 O PRO A 110 11.543 10.730 -5.905 1.00 0.00 O ATOM 1795 CB PRO A 110 9.182 9.513 -7.231 1.00 0.00 C ATOM 1796 CG PRO A 110 9.720 10.118 -8.482 1.00 0.00 C ATOM 1797 CD PRO A 110 9.239 11.542 -8.494 1.00 0.00 C ATOM 0 HA PRO A 110 8.347 10.604 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.810 8.692 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.182 9.107 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.809 10.074 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.365 9.579 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.961 12.206 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.302 11.645 -9.042 1.00 0.00 H new ATOM 1805 N ILE A 111 10.265 10.546 -4.062 1.00 0.00 N ATOM 1806 CA ILE A 111 11.398 10.520 -3.146 1.00 0.00 C ATOM 1807 C ILE A 111 12.076 9.154 -3.148 1.00 0.00 C ATOM 1808 O ILE A 111 13.292 9.054 -3.301 1.00 0.00 O ATOM 1809 CB ILE A 111 10.967 10.865 -1.708 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.174 12.174 -1.690 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.183 10.964 -0.800 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.428 12.410 -0.395 1.00 0.00 C ATOM 0 H ILE A 111 9.354 10.479 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 111 12.104 11.273 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 111 10.324 10.067 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.857 13.006 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.461 12.169 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 111 11.862 11.208 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.711 10.010 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.849 11.744 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 111 8.888 13.355 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.720 11.598 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.137 12.447 0.432 1.00 0.00 H new ATOM 1824 N GLY A 112 11.278 8.104 -2.978 1.00 0.00 N ATOM 1825 CA GLY A 112 11.819 6.757 -2.965 1.00 0.00 C ATOM 1826 C GLY A 112 10.752 5.702 -3.182 1.00 0.00 C ATOM 1827 O GLY A 112 9.559 6.003 -3.157 1.00 0.00 O ATOM 0 H GLY A 112 10.268 8.162 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.579 6.666 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.315 6.577 -2.011 1.00 0.00 H new ATOM 1831 N GLU A 113 11.182 4.463 -3.397 1.00 0.00 N ATOM 1832 CA GLU A 113 10.254 3.361 -3.621 1.00 0.00 C ATOM 1833 C GLU A 113 10.867 2.035 -3.181 1.00 0.00 C ATOM 1834 O GLU A 113 12.088 1.876 -3.167 1.00 0.00 O ATOM 1835 CB GLU A 113 9.861 3.288 -5.098 1.00 0.00 C ATOM 1836 CG GLU A 113 11.046 3.364 -6.047 1.00 0.00 C ATOM 1837 CD GLU A 113 11.732 2.025 -6.231 1.00 0.00 C ATOM 1838 OE1 GLU A 113 11.172 1.165 -6.943 1.00 0.00 O ATOM 1839 OE2 GLU A 113 12.829 1.836 -5.665 1.00 0.00 O ATOM 0 H GLU A 113 12.166 4.197 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 113 9.361 3.545 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 113 9.322 2.357 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.173 4.103 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.708 3.731 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.766 4.088 -5.666 1.00 0.00 H new ATOM 1846 N VAL A 114 10.011 1.084 -2.820 1.00 0.00 N ATOM 1847 CA VAL A 114 10.466 -0.229 -2.379 1.00 0.00 C ATOM 1848 C VAL A 114 9.719 -1.342 -3.105 1.00 0.00 C ATOM 1849 O VAL A 114 8.523 -1.230 -3.370 1.00 0.00 O ATOM 1850 CB VAL A 114 10.281 -0.406 -0.860 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.118 -1.571 -0.353 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.639 0.877 -0.127 1.00 0.00 C ATOM 0 H VAL A 114 8.997 1.199 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 114 11.528 -0.293 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 114 9.233 -0.629 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.975 -1.681 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.809 -2.487 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.171 -1.380 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.502 0.734 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.679 1.134 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.993 1.685 -0.470 1.00 0.00 H new ATOM 1862 N SER A 115 10.434 -2.417 -3.423 1.00 0.00 N ATOM 1863 CA SER A 115 9.840 -3.550 -4.122 1.00 0.00 C ATOM 1864 C SER A 115 10.088 -4.849 -3.360 1.00 0.00 C ATOM 1865 O SER A 115 11.233 -5.230 -3.118 1.00 0.00 O ATOM 1866 CB SER A 115 10.409 -3.660 -5.537 1.00 0.00 C ATOM 1867 OG SER A 115 11.674 -4.300 -5.530 1.00 0.00 O ATOM 0 H SER A 115 11.425 -2.527 -3.208 1.00 0.00 H new ATOM 0 HA SER A 115 8.765 -3.384 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.718 -4.220 -6.168 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.504 -2.665 -5.973 1.00 0.00 H new ATOM 0 HG SER A 115 11.933 -4.503 -4.607 1.00 0.00 H new ATOM 1873 N ILE A 116 9.006 -5.522 -2.984 1.00 0.00 N ATOM 1874 CA ILE A 116 9.105 -6.778 -2.250 1.00 0.00 C ATOM 1875 C ILE A 116 8.020 -7.756 -2.686 1.00 0.00 C ATOM 1876 O ILE A 116 6.825 -7.469 -2.616 1.00 0.00 O ATOM 1877 CB ILE A 116 8.996 -6.552 -0.730 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.180 -5.721 -0.230 1.00 0.00 C ATOM 1879 CG2 ILE A 116 8.932 -7.885 0.000 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.143 -5.452 1.258 1.00 0.00 C ATOM 0 H ILE A 116 8.051 -5.219 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 116 10.084 -7.200 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 116 8.078 -6.002 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.107 -6.240 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.197 -4.770 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.855 -7.709 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.060 -8.444 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.835 -8.458 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.012 -4.858 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.233 -4.905 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.157 -6.398 1.799 1.00 0.00 H new ATOM 1892 N PRO A 117 8.443 -8.943 -3.146 1.00 0.00 N ATOM 1893 CA PRO A 117 7.523 -9.990 -3.600 1.00 0.00 C ATOM 1894 C PRO A 117 6.734 -10.607 -2.451 1.00 0.00 C ATOM 1895 O PRO A 117 7.312 -11.095 -1.478 1.00 0.00 O ATOM 1896 CB PRO A 117 8.453 -11.031 -4.230 1.00 0.00 C ATOM 1897 CG PRO A 117 9.764 -10.826 -3.552 1.00 0.00 C ATOM 1898 CD PRO A 117 9.853 -9.354 -3.257 1.00 0.00 C ATOM 0 HA PRO A 117 6.770 -9.601 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 117 8.079 -12.043 -4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.537 -10.887 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.825 -11.412 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.588 -11.146 -4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.402 -9.161 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.367 -8.815 -4.053 1.00 0.00 H new ATOM 1906 N LEU A 118 5.411 -10.583 -2.568 1.00 0.00 N ATOM 1907 CA LEU A 118 4.541 -11.141 -1.538 1.00 0.00 C ATOM 1908 C LEU A 118 4.764 -12.643 -1.392 1.00 0.00 C ATOM 1909 O LEU A 118 4.252 -13.269 -0.466 1.00 0.00 O ATOM 1910 CB LEU A 118 3.076 -10.862 -1.874 1.00 0.00 C ATOM 1911 CG LEU A 118 2.593 -9.430 -1.637 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.347 -9.143 -2.460 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.324 -9.197 -0.158 1.00 0.00 C ATOM 0 H LEU A 118 4.917 -10.183 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 118 4.787 -10.662 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.911 -11.111 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.454 -11.536 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 118 3.378 -8.744 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.018 -8.120 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.573 -9.269 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.555 -9.835 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.981 -8.173 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.557 -9.891 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.241 -9.360 0.409 1.00 0.00 H new ATOM 1925 N ASN A 119 5.534 -13.214 -2.313 1.00 0.00 N ATOM 1926 CA ASN A 119 5.827 -14.642 -2.286 1.00 0.00 C ATOM 1927 C ASN A 119 6.927 -14.953 -1.276 1.00 0.00 C ATOM 1928 O ASN A 119 6.972 -16.043 -0.705 1.00 0.00 O ATOM 1929 CB ASN A 119 6.244 -15.125 -3.677 1.00 0.00 C ATOM 1930 CG ASN A 119 6.488 -16.621 -3.720 1.00 0.00 C ATOM 1931 OD1 ASN A 119 5.737 -17.401 -3.134 1.00 0.00 O ATOM 1932 ND2 ASN A 119 7.543 -17.028 -4.416 1.00 0.00 N ATOM 0 H ASN A 119 5.966 -12.709 -3.087 1.00 0.00 H new ATOM 0 HA ASN A 119 4.921 -15.167 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.468 -14.865 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 119 7.150 -14.603 -3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.758 -18.023 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.138 -16.346 -4.886 1.00 0.00 H new ATOM 1939 N LYS A 120 7.814 -13.988 -1.059 1.00 0.00 N ATOM 1940 CA LYS A 120 8.914 -14.156 -0.117 1.00 0.00 C ATOM 1941 C LYS A 120 8.439 -13.941 1.317 1.00 0.00 C ATOM 1942 O LYS A 120 8.742 -14.735 2.207 1.00 0.00 O ATOM 1943 CB LYS A 120 10.045 -13.178 -0.443 1.00 0.00 C ATOM 1944 CG LYS A 120 10.747 -13.477 -1.757 1.00 0.00 C ATOM 1945 CD LYS A 120 11.666 -14.681 -1.638 1.00 0.00 C ATOM 1946 CE LYS A 120 11.853 -15.374 -2.979 1.00 0.00 C ATOM 1947 NZ LYS A 120 12.916 -16.415 -2.921 1.00 0.00 N ATOM 0 H LYS A 120 7.792 -13.080 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 120 9.286 -15.176 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.641 -12.166 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.777 -13.200 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.004 -13.661 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.325 -12.607 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.635 -14.364 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.252 -15.386 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.913 -15.832 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.110 -14.634 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.013 -16.864 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.819 -15.974 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.659 -17.135 -2.215 1.00 0.00 H new ATOM 1961 N VAL A 121 7.693 -12.862 1.533 1.00 0.00 N ATOM 1962 CA VAL A 121 7.175 -12.544 2.858 1.00 0.00 C ATOM 1963 C VAL A 121 6.208 -13.619 3.343 1.00 0.00 C ATOM 1964 O VAL A 121 5.347 -14.078 2.591 1.00 0.00 O ATOM 1965 CB VAL A 121 6.457 -11.181 2.868 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.379 -11.138 1.797 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.867 -10.901 4.242 1.00 0.00 C ATOM 0 H VAL A 121 7.434 -12.194 0.807 1.00 0.00 H new ATOM 0 HA VAL A 121 8.032 -12.500 3.530 1.00 0.00 H new ATOM 0 HB VAL A 121 7.187 -10.403 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.883 -10.168 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.833 -11.291 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.648 -11.924 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.363 -9.934 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.149 -11.681 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.665 -10.886 4.985 1.00 0.00 H new ATOM 1977 N ASP A 122 6.355 -14.016 4.602 1.00 0.00 N ATOM 1978 CA ASP A 122 5.494 -15.036 5.188 1.00 0.00 C ATOM 1979 C ASP A 122 4.091 -14.488 5.433 1.00 0.00 C ATOM 1980 O ASP A 122 3.747 -14.114 6.555 1.00 0.00 O ATOM 1981 CB ASP A 122 6.092 -15.547 6.499 1.00 0.00 C ATOM 1982 CG ASP A 122 7.505 -16.068 6.327 1.00 0.00 C ATOM 1983 OD1 ASP A 122 8.151 -15.708 5.321 1.00 0.00 O ATOM 1984 OD2 ASP A 122 7.965 -16.836 7.198 1.00 0.00 O ATOM 0 H ASP A 122 7.063 -13.647 5.237 1.00 0.00 H new ATOM 0 HA ASP A 122 5.423 -15.865 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.092 -14.741 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.461 -16.341 6.897 1.00 0.00 H new ATOM 1989 N LEU A 123 3.287 -14.441 4.377 1.00 0.00 N ATOM 1990 CA LEU A 123 1.922 -13.937 4.477 1.00 0.00 C ATOM 1991 C LEU A 123 1.140 -14.692 5.547 1.00 0.00 C ATOM 1992 O LEU A 123 0.310 -14.114 6.250 1.00 0.00 O ATOM 1993 CB LEU A 123 1.212 -14.060 3.128 1.00 0.00 C ATOM 1994 CG LEU A 123 1.637 -13.061 2.052 1.00 0.00 C ATOM 1995 CD1 LEU A 123 0.975 -13.393 0.723 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.298 -11.640 2.478 1.00 0.00 C ATOM 0 H LEU A 123 3.557 -14.746 3.442 1.00 0.00 H new ATOM 0 HA LEU A 123 1.969 -12.886 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.375 -15.067 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.140 -13.951 3.293 1.00 0.00 H new ATOM 0 HG LEU A 123 2.717 -13.133 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.290 -12.671 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.269 -14.395 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.108 -13.351 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.608 -10.943 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.223 -11.554 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.820 -11.404 3.405 1.00 0.00 H new ATOM 2008 N THR A 124 1.411 -15.988 5.668 1.00 0.00 N ATOM 2009 CA THR A 124 0.734 -16.822 6.652 1.00 0.00 C ATOM 2010 C THR A 124 0.495 -16.058 7.950 1.00 0.00 C ATOM 2011 O THR A 124 -0.485 -16.302 8.652 1.00 0.00 O ATOM 2012 CB THR A 124 1.544 -18.095 6.962 1.00 0.00 C ATOM 2013 OG1 THR A 124 2.776 -17.748 7.605 1.00 0.00 O ATOM 2014 CG2 THR A 124 1.833 -18.876 5.689 1.00 0.00 C ATOM 0 H THR A 124 2.095 -16.483 5.096 1.00 0.00 H new ATOM 0 HA THR A 124 -0.225 -17.106 6.219 1.00 0.00 H new ATOM 0 HB THR A 124 0.952 -18.723 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.284 -18.563 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.406 -19.771 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 124 0.893 -19.164 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.407 -18.254 5.003 1.00 0.00 H new ATOM 2022 N GLN A 125 1.397 -15.132 8.260 1.00 0.00 N ATOM 2023 CA GLN A 125 1.282 -14.332 9.474 1.00 0.00 C ATOM 2024 C GLN A 125 1.850 -12.932 9.259 1.00 0.00 C ATOM 2025 O GLN A 125 2.668 -12.715 8.366 1.00 0.00 O ATOM 2026 CB GLN A 125 2.009 -15.017 10.632 1.00 0.00 C ATOM 2027 CG GLN A 125 3.291 -15.720 10.215 1.00 0.00 C ATOM 2028 CD GLN A 125 3.741 -16.759 11.224 1.00 0.00 C ATOM 2029 OE1 GLN A 125 3.676 -16.536 12.433 1.00 0.00 O ATOM 2030 NE2 GLN A 125 4.202 -17.903 10.730 1.00 0.00 N ATOM 0 H GLN A 125 2.214 -14.917 7.688 1.00 0.00 H new ATOM 0 HA GLN A 125 0.224 -14.242 9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.244 -14.273 11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.339 -15.744 11.092 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.140 -16.200 9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.081 -14.980 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.238 -18.045 9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.520 -18.639 11.360 1.00 0.00 H new ATOM 2039 N MET A 126 1.409 -11.987 10.083 1.00 0.00 N ATOM 2040 CA MET A 126 1.875 -10.609 9.983 1.00 0.00 C ATOM 2041 C MET A 126 3.379 -10.525 10.219 1.00 0.00 C ATOM 2042 O MET A 126 3.901 -11.113 11.165 1.00 0.00 O ATOM 2043 CB MET A 126 1.138 -9.725 10.991 1.00 0.00 C ATOM 2044 CG MET A 126 0.923 -8.300 10.507 1.00 0.00 C ATOM 2045 SD MET A 126 -0.656 -8.085 9.664 1.00 0.00 S ATOM 2046 CE MET A 126 -0.105 -7.726 7.998 1.00 0.00 C ATOM 0 H MET A 126 0.730 -12.150 10.827 1.00 0.00 H new ATOM 0 HA MET A 126 1.664 -10.252 8.975 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.170 -10.173 11.216 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.703 -9.702 11.923 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.972 -7.620 11.357 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.732 -8.024 9.831 1.00 0.00 H new ATOM 0 HE1 MET A 126 -0.732 -8.261 7.284 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.179 -6.654 7.813 1.00 0.00 H new ATOM 0 HE3 MET A 126 0.931 -8.044 7.881 1.00 0.00 H new ATOM 2056 N GLN A 127 4.069 -9.789 9.353 1.00 0.00 N ATOM 2057 CA GLN A 127 5.514 -9.630 9.468 1.00 0.00 C ATOM 2058 C GLN A 127 5.940 -8.220 9.070 1.00 0.00 C ATOM 2059 O GLN A 127 5.686 -7.777 7.949 1.00 0.00 O ATOM 2060 CB GLN A 127 6.234 -10.659 8.594 1.00 0.00 C ATOM 2061 CG GLN A 127 5.898 -12.099 8.949 1.00 0.00 C ATOM 2062 CD GLN A 127 6.765 -12.641 10.069 1.00 0.00 C ATOM 2063 OE1 GLN A 127 7.963 -12.364 10.131 1.00 0.00 O ATOM 2064 NE2 GLN A 127 6.162 -13.418 10.961 1.00 0.00 N ATOM 0 H GLN A 127 3.651 -9.294 8.565 1.00 0.00 H new ATOM 0 HA GLN A 127 5.790 -9.793 10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.976 -10.481 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.310 -10.512 8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.850 -12.162 9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.019 -12.725 8.065 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.167 -13.621 10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.694 -13.812 11.737 1.00 0.00 H new ATOM 2073 N THR A 128 6.589 -7.520 9.994 1.00 0.00 N ATOM 2074 CA THR A 128 7.048 -6.160 9.740 1.00 0.00 C ATOM 2075 C THR A 128 8.346 -6.159 8.941 1.00 0.00 C ATOM 2076 O THR A 128 9.063 -7.159 8.902 1.00 0.00 O ATOM 2077 CB THR A 128 7.266 -5.386 11.054 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.152 -5.585 11.931 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.447 -3.900 10.783 1.00 0.00 C ATOM 0 H THR A 128 6.809 -7.872 10.926 1.00 0.00 H new ATOM 0 HA THR A 128 6.268 -5.665 9.161 1.00 0.00 H new ATOM 0 HB THR A 128 8.172 -5.765 11.527 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.299 -5.091 12.764 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.599 -3.374 11.726 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.314 -3.750 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.557 -3.509 10.289 1.00 0.00 H new ATOM 2087 N PHE A 129 8.644 -5.030 8.306 1.00 0.00 N ATOM 2088 CA PHE A 129 9.856 -4.899 7.507 1.00 0.00 C ATOM 2089 C PHE A 129 10.385 -3.468 7.551 1.00 0.00 C ATOM 2090 O PHE A 129 9.614 -2.509 7.510 1.00 0.00 O ATOM 2091 CB PHE A 129 9.586 -5.310 6.059 1.00 0.00 C ATOM 2092 CG PHE A 129 9.252 -6.766 5.902 1.00 0.00 C ATOM 2093 CD1 PHE A 129 7.967 -7.226 6.143 1.00 0.00 C ATOM 2094 CD2 PHE A 129 10.223 -7.675 5.513 1.00 0.00 C ATOM 2095 CE1 PHE A 129 7.657 -8.565 5.999 1.00 0.00 C ATOM 2096 CE2 PHE A 129 9.918 -9.015 5.366 1.00 0.00 C ATOM 2097 CZ PHE A 129 8.634 -9.461 5.611 1.00 0.00 C ATOM 0 H PHE A 129 8.062 -4.193 8.330 1.00 0.00 H new ATOM 0 HA PHE A 129 10.612 -5.561 7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.763 -4.712 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.463 -5.079 5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.199 -6.530 6.447 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.229 -7.332 5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.652 -8.911 6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.683 -9.713 5.060 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.394 -10.508 5.499 1.00 0.00 H new ATOM 2107 N TRP A 130 11.703 -3.333 7.636 1.00 0.00 N ATOM 2108 CA TRP A 130 12.335 -2.019 7.686 1.00 0.00 C ATOM 2109 C TRP A 130 13.388 -1.880 6.593 1.00 0.00 C ATOM 2110 O TRP A 130 14.454 -2.494 6.661 1.00 0.00 O ATOM 2111 CB TRP A 130 12.972 -1.789 9.057 1.00 0.00 C ATOM 2112 CG TRP A 130 11.994 -1.334 10.098 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.300 -2.123 10.970 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.601 0.015 10.373 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.498 -1.345 11.771 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.666 -0.030 11.425 1.00 0.00 C ATOM 2117 CE3 TRP A 130 11.950 1.256 9.835 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.076 1.118 11.946 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.363 2.395 10.352 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.436 2.320 11.400 1.00 0.00 C ATOM 0 H TRP A 130 12.355 -4.116 7.672 1.00 0.00 H new ATOM 0 HA TRP A 130 11.565 -1.266 7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.443 -2.714 9.391 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.763 -1.045 8.962 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.371 -3.199 11.023 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.878 -1.691 12.504 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.666 1.324 9.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.360 1.062 12.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.623 3.359 9.941 1.00 0.00 H new ATOM 0 HH2 TRP A 130 9.997 3.229 11.784 1.00 0.00 H new ATOM 2131 N LYS A 131 13.085 -1.069 5.585 1.00 0.00 N ATOM 2132 CA LYS A 131 14.006 -0.847 4.476 1.00 0.00 C ATOM 2133 C LYS A 131 14.186 0.643 4.208 1.00 0.00 C ATOM 2134 O LYS A 131 13.326 1.454 4.554 1.00 0.00 O ATOM 2135 CB LYS A 131 13.495 -1.546 3.214 1.00 0.00 C ATOM 2136 CG LYS A 131 13.058 -2.982 3.448 1.00 0.00 C ATOM 2137 CD LYS A 131 14.218 -3.950 3.291 1.00 0.00 C ATOM 2138 CE LYS A 131 13.732 -5.384 3.148 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.721 -6.362 3.680 1.00 0.00 N ATOM 0 H LYS A 131 12.208 -0.554 5.513 1.00 0.00 H new ATOM 0 HA LYS A 131 14.973 -1.268 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.655 -0.981 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 131 14.280 -1.533 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.637 -3.077 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.268 -3.242 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.807 -3.675 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.877 -3.873 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.786 -5.501 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.539 -5.599 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.352 -7.327 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.616 -6.269 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.887 -6.174 4.689 1.00 0.00 H new ATOM 2153 N ASP A 132 15.306 0.997 3.588 1.00 0.00 N ATOM 2154 CA ASP A 132 15.597 2.391 3.271 1.00 0.00 C ATOM 2155 C ASP A 132 15.068 2.755 1.887 1.00 0.00 C ATOM 2156 O ASP A 132 15.537 2.232 0.875 1.00 0.00 O ATOM 2157 CB ASP A 132 17.103 2.648 3.340 1.00 0.00 C ATOM 2158 CG ASP A 132 17.699 2.243 4.673 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.720 1.030 4.970 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.145 3.139 5.420 1.00 0.00 O ATOM 0 H ASP A 132 16.028 0.338 3.295 1.00 0.00 H new ATOM 0 HA ASP A 132 15.096 3.018 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.600 2.097 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.296 3.706 3.165 1.00 0.00 H new ATOM 2165 N LEU A 133 14.090 3.652 1.850 1.00 0.00 N ATOM 2166 CA LEU A 133 13.496 4.086 0.590 1.00 0.00 C ATOM 2167 C LEU A 133 14.561 4.230 -0.492 1.00 0.00 C ATOM 2168 O LEU A 133 15.393 5.136 -0.443 1.00 0.00 O ATOM 2169 CB LEU A 133 12.762 5.414 0.780 1.00 0.00 C ATOM 2170 CG LEU A 133 11.496 5.365 1.635 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.160 6.748 2.171 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.331 4.805 0.832 1.00 0.00 C ATOM 0 H LEU A 133 13.691 4.094 2.678 1.00 0.00 H new ATOM 0 HA LEU A 133 12.782 3.326 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.453 6.127 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.498 5.804 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 133 11.678 4.704 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.256 6.693 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.986 7.112 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.997 7.432 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.438 4.778 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.148 5.440 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.571 3.796 0.498 1.00 0.00 H new ATOM 2184 N LYS A 134 14.528 3.332 -1.471 1.00 0.00 N ATOM 2185 CA LYS A 134 15.488 3.360 -2.568 1.00 0.00 C ATOM 2186 C LYS A 134 15.302 4.611 -3.421 1.00 0.00 C ATOM 2187 O LYS A 134 14.250 5.250 -3.407 1.00 0.00 O ATOM 2188 CB LYS A 134 15.336 2.110 -3.438 1.00 0.00 C ATOM 2189 CG LYS A 134 16.122 0.914 -2.927 1.00 0.00 C ATOM 2190 CD LYS A 134 17.618 1.116 -3.100 1.00 0.00 C ATOM 2191 CE LYS A 134 18.405 -0.072 -2.569 1.00 0.00 C ATOM 2192 NZ LYS A 134 18.364 -0.145 -1.083 1.00 0.00 N ATOM 0 H LYS A 134 13.846 2.575 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 134 16.490 3.378 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.281 1.843 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.661 2.342 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.895 0.751 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.811 0.017 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.847 1.263 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.927 2.021 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 134 18.000 -0.993 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 134 19.441 0.001 -2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 19.006 -0.894 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 18.662 0.767 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 17.395 -0.359 -0.773 1.00 0.00 H new ATOM 2206 N PRO A 135 16.346 4.968 -4.184 1.00 0.00 N ATOM 2207 CA PRO A 135 16.321 6.144 -5.059 1.00 0.00 C ATOM 2208 C PRO A 135 15.389 5.960 -6.251 1.00 0.00 C ATOM 2209 O PRO A 135 15.758 5.345 -7.252 1.00 0.00 O ATOM 2210 CB PRO A 135 17.773 6.266 -5.530 1.00 0.00 C ATOM 2211 CG PRO A 135 18.322 4.886 -5.426 1.00 0.00 C ATOM 2212 CD PRO A 135 17.631 4.252 -4.251 1.00 0.00 C ATOM 0 HA PRO A 135 15.950 7.029 -4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.827 6.638 -6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.334 6.963 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.135 4.322 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.402 4.906 -5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.487 3.182 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.207 4.373 -3.333 1.00 0.00 H new ATOM 2220 N SER A 136 14.178 6.496 -6.138 1.00 0.00 N ATOM 2221 CA SER A 136 13.191 6.387 -7.206 1.00 0.00 C ATOM 2222 C SER A 136 13.713 7.016 -8.494 1.00 0.00 C ATOM 2223 O SER A 136 14.162 8.161 -8.502 1.00 0.00 O ATOM 2224 CB SER A 136 11.882 7.062 -6.790 1.00 0.00 C ATOM 2225 OG SER A 136 12.044 8.466 -6.681 1.00 0.00 O ATOM 0 H SER A 136 13.857 7.010 -5.318 1.00 0.00 H new ATOM 0 HA SER A 136 13.004 5.329 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.105 6.838 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.547 6.656 -5.835 1.00 0.00 H new ATOM 0 HG SER A 136 12.871 8.736 -7.133 1.00 0.00 H new