USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 890 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 35 HIS : no HD1:sc= -5.8! C(o=-5.9!,f=-7.9!) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.13! C(o=-5.9!,f=-8.3!) USER MOD Set 1.3: A 122 GLN : amide:sc= 0.937 K(o=-5.9,f=-8.9) USER MOD Set 1.4: A 124 TYR OH : rot 73:sc= 1.07 USER MOD Set 2.1: A 117 TYR OH : rot -108:sc= 1.18 USER MOD Set 2.2: A 119 CYS SG : rot -126:sc= -2.47! USER MOD Set 3.1: A 40 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.21) USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -37:sc= 0.0469 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.042) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.11) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot -119:sc= 1.32 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.0555 (180deg=-0.621) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 131:sc= 0.206 (180deg=-0.288) USER MOD Single : A 56 ASN : amide:sc= 0.103 K(o=0.1,f=-1.4!) USER MOD Single : A 61 LYS NZ :NH3+ -127:sc= 0.852 (180deg=-0.00665) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -114:sc= -3.45! (180deg=-5.63!) USER MOD Single : A 68 THR OG1 : rot 100:sc= -1.01 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -150:sc= -3.02! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 179:sc= -0.978 USER MOD Single : A 96 SER OG : rot -6:sc= 0.186 USER MOD Single : A 100 SER OG : rot 37:sc= 0.0892 USER MOD Single : A 111 MET CE :methyl -113:sc= -0.433 (180deg=-0.937) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 120 ASN : amide:sc= -3.59! C(o=-3.6!,f=-4!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 55:sc= 1.19 USER MOD Single : A 128 ASN : amide:sc= -1.5! C(o=-1.5!,f=-3.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -5.94! C(o=-5.9!,f=-16!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 0.085 13.048 -12.908 1.00 0.00 N ATOM 118 CA SER A 12 0.149 11.691 -12.379 1.00 0.00 C ATOM 119 C SER A 12 0.849 11.668 -11.024 1.00 0.00 C ATOM 120 O SER A 12 1.489 12.641 -10.626 1.00 0.00 O ATOM 121 CB SER A 12 0.882 10.773 -13.360 1.00 0.00 C ATOM 122 OG SER A 12 2.210 11.217 -13.579 1.00 0.00 O ATOM 0 HA SER A 12 -0.871 11.330 -12.247 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.895 9.755 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.344 10.744 -14.307 1.00 0.00 H new ATOM 0 HG SER A 12 2.229 12.197 -13.593 1.00 0.00 H new ATOM 128 N PHE A 13 0.723 10.549 -10.319 1.00 0.00 N ATOM 129 CA PHE A 13 1.342 10.397 -9.007 1.00 0.00 C ATOM 130 C PHE A 13 2.180 9.124 -8.944 1.00 0.00 C ATOM 131 O PHE A 13 2.035 8.231 -9.779 1.00 0.00 O ATOM 132 CB PHE A 13 0.271 10.371 -7.914 1.00 0.00 C ATOM 133 CG PHE A 13 -0.465 11.671 -7.764 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.380 12.080 -8.722 1.00 0.00 C ATOM 135 CD2 PHE A 13 -0.243 12.486 -6.665 1.00 0.00 C ATOM 136 CE1 PHE A 13 -2.057 13.277 -8.587 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.919 13.683 -6.524 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.828 14.079 -7.486 1.00 0.00 C ATOM 0 H PHE A 13 0.198 9.733 -10.634 1.00 0.00 H new ATOM 0 HA PHE A 13 1.999 11.251 -8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.446 9.581 -8.138 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.740 10.116 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.566 11.456 -9.584 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.467 12.182 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.765 13.585 -9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.737 14.308 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.358 15.014 -7.377 1.00 0.00 H new ATOM 148 N VAL A 14 3.057 9.048 -7.949 1.00 0.00 N ATOM 149 CA VAL A 14 3.919 7.885 -7.776 1.00 0.00 C ATOM 150 C VAL A 14 4.047 7.510 -6.304 1.00 0.00 C ATOM 151 O VAL A 14 3.507 8.189 -5.429 1.00 0.00 O ATOM 152 CB VAL A 14 5.324 8.136 -8.355 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.254 8.325 -9.863 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.967 9.342 -7.687 1.00 0.00 C ATOM 0 H VAL A 14 3.190 9.779 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 14 3.453 7.062 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 14 5.944 7.263 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.256 8.501 -10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.837 7.429 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.619 9.180 -10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.959 9.505 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.351 10.224 -7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.053 9.162 -6.615 1.00 0.00 H new ATOM 164 N LEU A 15 4.767 6.426 -6.036 1.00 0.00 N ATOM 165 CA LEU A 15 4.968 5.961 -4.668 1.00 0.00 C ATOM 166 C LEU A 15 6.378 6.286 -4.183 1.00 0.00 C ATOM 167 O LEU A 15 7.361 6.000 -4.867 1.00 0.00 O ATOM 168 CB LEU A 15 4.722 4.454 -4.580 1.00 0.00 C ATOM 169 CG LEU A 15 3.382 3.960 -5.126 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.485 2.505 -5.559 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.285 4.132 -4.085 1.00 0.00 C ATOM 0 H LEU A 15 5.221 5.853 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 15 4.255 6.478 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.521 3.944 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.799 4.154 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 15 3.124 4.560 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.522 2.171 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.241 2.410 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.766 1.890 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.339 3.775 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.536 3.558 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.193 5.186 -3.824 1.00 0.00 H new ATOM 183 N ASP A 16 6.468 6.883 -3.000 1.00 0.00 N ATOM 184 CA ASP A 16 7.757 7.244 -2.422 1.00 0.00 C ATOM 185 C ASP A 16 8.369 6.062 -1.678 1.00 0.00 C ATOM 186 O ASP A 16 9.077 6.239 -0.686 1.00 0.00 O ATOM 187 CB ASP A 16 7.599 8.434 -1.474 1.00 0.00 C ATOM 188 CG ASP A 16 8.851 9.287 -1.403 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.961 8.717 -1.456 1.00 0.00 O ATOM 190 OD2 ASP A 16 8.720 10.525 -1.294 1.00 0.00 O ATOM 0 H ASP A 16 5.664 7.127 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 16 8.427 7.524 -3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.762 9.049 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.354 8.070 -0.476 1.00 0.00 H new ATOM 195 N PHE A 17 8.090 4.856 -2.161 1.00 0.00 N ATOM 196 CA PHE A 17 8.611 3.644 -1.540 1.00 0.00 C ATOM 197 C PHE A 17 8.781 2.534 -2.573 1.00 0.00 C ATOM 198 O PHE A 17 8.104 2.518 -3.601 1.00 0.00 O ATOM 199 CB PHE A 17 7.678 3.177 -0.421 1.00 0.00 C ATOM 200 CG PHE A 17 6.242 3.062 -0.847 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.416 4.174 -0.854 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.719 1.841 -1.241 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.095 4.071 -1.244 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.398 1.731 -1.634 1.00 0.00 C ATOM 205 CZ PHE A 17 3.585 2.848 -1.636 1.00 0.00 C ATOM 0 H PHE A 17 7.506 4.692 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 17 9.588 3.874 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.019 2.208 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.746 3.875 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.810 5.133 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.351 0.965 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.461 4.946 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.002 0.773 -1.939 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.553 2.766 -1.943 1.00 0.00 H new ATOM 215 N SER A 18 9.691 1.606 -2.291 1.00 0.00 N ATOM 216 CA SER A 18 9.953 0.494 -3.197 1.00 0.00 C ATOM 217 C SER A 18 8.967 -0.645 -2.959 1.00 0.00 C ATOM 218 O SER A 18 8.479 -0.835 -1.845 1.00 0.00 O ATOM 219 CB SER A 18 11.386 -0.012 -3.016 1.00 0.00 C ATOM 220 OG SER A 18 12.319 1.049 -3.131 1.00 0.00 O ATOM 0 H SER A 18 10.258 1.603 -1.443 1.00 0.00 H new ATOM 0 HA SER A 18 9.827 0.853 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.487 -0.486 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.603 -0.774 -3.764 1.00 0.00 H new ATOM 0 HG SER A 18 13.227 0.701 -3.010 1.00 0.00 H new ATOM 226 N GLN A 19 8.677 -1.399 -4.015 1.00 0.00 N ATOM 227 CA GLN A 19 7.748 -2.519 -3.922 1.00 0.00 C ATOM 228 C GLN A 19 8.263 -3.574 -2.948 1.00 0.00 C ATOM 229 O GLN A 19 9.425 -3.978 -2.989 1.00 0.00 O ATOM 230 CB GLN A 19 7.530 -3.144 -5.301 1.00 0.00 C ATOM 231 CG GLN A 19 7.250 -2.125 -6.393 1.00 0.00 C ATOM 232 CD GLN A 19 6.212 -1.099 -5.982 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.476 0.103 -5.985 1.00 0.00 O ATOM 234 NE2 GLN A 19 5.023 -1.570 -5.627 1.00 0.00 N ATOM 0 H GLN A 19 9.072 -1.254 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 19 6.797 -2.139 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.413 -3.722 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.696 -3.844 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.177 -1.614 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.908 -2.643 -7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.848 -2.575 -5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.284 -0.927 -5.342 1.00 0.00 H new ATOM 243 N PRO A 20 7.379 -4.032 -2.049 1.00 0.00 N ATOM 244 CA PRO A 20 7.721 -5.046 -1.048 1.00 0.00 C ATOM 245 C PRO A 20 7.950 -6.420 -1.669 1.00 0.00 C ATOM 246 O PRO A 20 8.911 -7.112 -1.332 1.00 0.00 O ATOM 247 CB PRO A 20 6.494 -5.071 -0.133 1.00 0.00 C ATOM 248 CG PRO A 20 5.373 -4.592 -0.991 1.00 0.00 C ATOM 249 CD PRO A 20 5.976 -3.596 -1.942 1.00 0.00 C ATOM 0 HA PRO A 20 8.651 -4.809 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.302 -6.075 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.633 -4.425 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.914 -5.420 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.590 -4.132 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.476 -3.611 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.900 -2.578 -1.560 1.00 0.00 H new ATOM 257 N SER A 21 7.062 -6.809 -2.578 1.00 0.00 N ATOM 258 CA SER A 21 7.165 -8.102 -3.243 1.00 0.00 C ATOM 259 C SER A 21 8.574 -8.321 -3.789 1.00 0.00 C ATOM 260 O SER A 21 9.070 -9.447 -3.821 1.00 0.00 O ATOM 261 CB SER A 21 6.146 -8.198 -4.380 1.00 0.00 C ATOM 262 OG SER A 21 6.529 -7.390 -5.479 1.00 0.00 O ATOM 0 H SER A 21 6.263 -6.247 -2.871 1.00 0.00 H new ATOM 0 HA SER A 21 6.953 -8.878 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.053 -9.235 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.165 -7.887 -4.020 1.00 0.00 H new ATOM 0 HG SER A 21 5.862 -7.471 -6.192 1.00 0.00 H new ATOM 268 N ALA A 22 9.211 -7.236 -4.217 1.00 0.00 N ATOM 269 CA ALA A 22 10.562 -7.308 -4.759 1.00 0.00 C ATOM 270 C ALA A 22 11.384 -8.376 -4.046 1.00 0.00 C ATOM 271 O ALA A 22 12.106 -9.144 -4.682 1.00 0.00 O ATOM 272 CB ALA A 22 11.246 -5.953 -4.651 1.00 0.00 C ATOM 0 H ALA A 22 8.813 -6.297 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 22 10.491 -7.585 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.254 -6.021 -5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.676 -5.212 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.298 -5.654 -3.604 1.00 0.00 H new ATOM 278 N ASP A 23 11.268 -8.420 -2.723 1.00 0.00 N ATOM 279 CA ASP A 23 12.001 -9.395 -1.924 1.00 0.00 C ATOM 280 C ASP A 23 11.061 -10.465 -1.377 1.00 0.00 C ATOM 281 O ASP A 23 10.424 -10.276 -0.341 1.00 0.00 O ATOM 282 CB ASP A 23 12.727 -8.699 -0.771 1.00 0.00 C ATOM 283 CG ASP A 23 13.568 -7.529 -1.240 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.279 -7.677 -2.256 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.515 -6.463 -0.591 1.00 0.00 O ATOM 0 H ASP A 23 10.674 -7.792 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 23 12.737 -9.877 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.995 -8.348 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.365 -9.420 -0.259 1.00 0.00 H new ATOM 290 N TYR A 24 10.979 -11.589 -2.081 1.00 0.00 N ATOM 291 CA TYR A 24 10.115 -12.688 -1.668 1.00 0.00 C ATOM 292 C TYR A 24 10.403 -13.096 -0.227 1.00 0.00 C ATOM 293 O TYR A 24 9.487 -13.391 0.543 1.00 0.00 O ATOM 294 CB TYR A 24 10.303 -13.889 -2.597 1.00 0.00 C ATOM 295 CG TYR A 24 9.240 -14.952 -2.435 1.00 0.00 C ATOM 296 CD1 TYR A 24 9.202 -15.758 -1.304 1.00 0.00 C ATOM 297 CD2 TYR A 24 8.273 -15.150 -3.413 1.00 0.00 C ATOM 298 CE1 TYR A 24 8.233 -16.731 -1.152 1.00 0.00 C ATOM 299 CE2 TYR A 24 7.299 -16.120 -3.269 1.00 0.00 C ATOM 300 CZ TYR A 24 7.284 -16.908 -2.137 1.00 0.00 C ATOM 301 OH TYR A 24 6.316 -17.875 -1.989 1.00 0.00 O ATOM 0 H TYR A 24 11.501 -11.763 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 24 9.082 -12.347 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.303 -13.542 -3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.281 -14.333 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.943 -15.622 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.283 -14.535 -4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.219 -17.350 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.554 -16.260 -4.038 1.00 0.00 H new ATOM 0 HH TYR A 24 5.725 -17.869 -2.771 1.00 0.00 H new ATOM 311 N LEU A 25 11.681 -13.110 0.133 1.00 0.00 N ATOM 312 CA LEU A 25 12.093 -13.481 1.482 1.00 0.00 C ATOM 313 C LEU A 25 11.692 -12.407 2.488 1.00 0.00 C ATOM 314 O LEU A 25 10.789 -12.608 3.300 1.00 0.00 O ATOM 315 CB LEU A 25 13.605 -13.705 1.533 1.00 0.00 C ATOM 316 CG LEU A 25 14.084 -15.127 1.237 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.371 -16.127 2.134 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.863 -15.469 -0.229 1.00 0.00 C ATOM 0 H LEU A 25 12.451 -12.868 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 25 11.586 -14.409 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.076 -13.029 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.961 -13.422 2.524 1.00 0.00 H new ATOM 0 HG LEU A 25 15.153 -15.182 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.724 -17.133 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.580 -15.893 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.297 -16.072 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.209 -16.484 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.801 -15.397 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.420 -14.771 -0.854 1.00 0.00 H new ATOM 330 N ASP A 26 12.369 -11.265 2.428 1.00 0.00 N ATOM 331 CA ASP A 26 12.081 -10.157 3.331 1.00 0.00 C ATOM 332 C ASP A 26 10.581 -9.893 3.407 1.00 0.00 C ATOM 333 O ASP A 26 10.087 -9.332 4.385 1.00 0.00 O ATOM 334 CB ASP A 26 12.812 -8.894 2.872 1.00 0.00 C ATOM 335 CG ASP A 26 12.579 -7.720 3.802 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.991 -7.803 4.978 1.00 0.00 O ATOM 337 OD2 ASP A 26 11.984 -6.717 3.353 1.00 0.00 O ATOM 0 H ASP A 26 13.121 -11.083 1.763 1.00 0.00 H new ATOM 0 HA ASP A 26 12.434 -10.430 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.881 -9.098 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.480 -8.630 1.868 1.00 0.00 H new ATOM 342 N PHE A 27 9.860 -10.299 2.366 1.00 0.00 N ATOM 343 CA PHE A 27 8.416 -10.104 2.314 1.00 0.00 C ATOM 344 C PHE A 27 7.689 -11.223 3.055 1.00 0.00 C ATOM 345 O PHE A 27 6.948 -10.973 4.005 1.00 0.00 O ATOM 346 CB PHE A 27 7.941 -10.046 0.861 1.00 0.00 C ATOM 347 CG PHE A 27 6.450 -10.155 0.713 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.827 -11.393 0.734 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.671 -9.020 0.553 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.455 -11.497 0.599 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.299 -9.118 0.418 1.00 0.00 C ATOM 352 CZ PHE A 27 3.691 -10.358 0.440 1.00 0.00 C ATOM 0 H PHE A 27 10.252 -10.765 1.548 1.00 0.00 H new ATOM 0 HA PHE A 27 8.184 -9.158 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.275 -9.109 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.414 -10.852 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.420 -12.287 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.141 -8.048 0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.982 -12.468 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.703 -8.226 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.619 -10.437 0.333 1.00 0.00 H new ATOM 362 N ARG A 28 7.907 -12.457 2.612 1.00 0.00 N ATOM 363 CA ARG A 28 7.272 -13.614 3.231 1.00 0.00 C ATOM 364 C ARG A 28 7.503 -13.618 4.739 1.00 0.00 C ATOM 365 O ARG A 28 6.652 -14.069 5.506 1.00 0.00 O ATOM 366 CB ARG A 28 7.812 -14.907 2.618 1.00 0.00 C ATOM 367 CG ARG A 28 9.139 -15.355 3.210 1.00 0.00 C ATOM 368 CD ARG A 28 9.444 -16.803 2.861 1.00 0.00 C ATOM 369 NE ARG A 28 10.423 -17.391 3.772 1.00 0.00 N ATOM 370 CZ ARG A 28 10.518 -18.695 4.006 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.698 -19.542 3.400 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.434 -19.153 4.849 1.00 0.00 N ATOM 0 H ARG A 28 8.518 -12.681 1.827 1.00 0.00 H new ATOM 0 HA ARG A 28 6.200 -13.552 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.076 -15.699 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.932 -14.767 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.939 -14.714 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.113 -15.238 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.523 -17.385 2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.820 -16.858 1.840 1.00 0.00 H new ATOM 0 HE ARG A 28 11.069 -16.766 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.992 -19.193 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.773 -20.543 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.066 -18.504 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.507 -20.154 5.028 1.00 0.00 H new ATOM 386 N ASN A 29 8.659 -13.114 5.158 1.00 0.00 N ATOM 387 CA ASN A 29 9.002 -13.061 6.574 1.00 0.00 C ATOM 388 C ASN A 29 7.980 -12.236 7.351 1.00 0.00 C ATOM 389 O ASN A 29 7.653 -12.552 8.495 1.00 0.00 O ATOM 390 CB ASN A 29 10.400 -12.469 6.760 1.00 0.00 C ATOM 391 CG ASN A 29 11.498 -13.478 6.485 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.519 -14.563 7.067 1.00 0.00 O ATOM 393 ND2 ASN A 29 12.417 -13.125 5.593 1.00 0.00 N ATOM 0 H ASN A 29 9.374 -12.736 4.537 1.00 0.00 H new ATOM 0 HA ASN A 29 8.992 -14.079 6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.521 -11.614 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.501 -12.096 7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.179 -13.764 5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.360 -12.215 5.135 1.00 0.00 H new ATOM 400 N ARG A 30 7.480 -11.179 6.720 1.00 0.00 N ATOM 401 CA ARG A 30 6.496 -10.308 7.352 1.00 0.00 C ATOM 402 C ARG A 30 5.103 -10.928 7.292 1.00 0.00 C ATOM 403 O ARG A 30 4.290 -10.745 8.199 1.00 0.00 O ATOM 404 CB ARG A 30 6.485 -8.938 6.672 1.00 0.00 C ATOM 405 CG ARG A 30 7.873 -8.400 6.364 1.00 0.00 C ATOM 406 CD ARG A 30 8.587 -7.944 7.627 1.00 0.00 C ATOM 407 NE ARG A 30 7.800 -6.971 8.380 1.00 0.00 N ATOM 408 CZ ARG A 30 8.219 -6.398 9.502 1.00 0.00 C ATOM 409 NH1 ARG A 30 9.411 -6.697 9.998 1.00 0.00 N ATOM 410 NH2 ARG A 30 7.444 -5.522 10.130 1.00 0.00 N ATOM 0 H ARG A 30 7.740 -10.905 5.772 1.00 0.00 H new ATOM 0 HA ARG A 30 6.776 -10.185 8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.917 -9.007 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.963 -8.228 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.463 -9.173 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.795 -7.565 5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.795 -8.808 8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.549 -7.505 7.361 1.00 0.00 H new ATOM 0 HE ARG A 30 6.878 -6.718 8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.009 -7.369 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.730 -6.255 10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.526 -5.289 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.766 -5.082 10.992 1.00 0.00 H new ATOM 424 N LEU A 31 4.833 -11.662 6.217 1.00 0.00 N ATOM 425 CA LEU A 31 3.538 -12.309 6.038 1.00 0.00 C ATOM 426 C LEU A 31 3.414 -13.535 6.936 1.00 0.00 C ATOM 427 O LEU A 31 2.337 -14.118 7.060 1.00 0.00 O ATOM 428 CB LEU A 31 3.346 -12.713 4.575 1.00 0.00 C ATOM 429 CG LEU A 31 1.956 -13.224 4.197 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.986 -12.063 4.039 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.019 -14.046 2.918 1.00 0.00 C ATOM 0 H LEU A 31 5.494 -11.824 5.457 1.00 0.00 H new ATOM 0 HA LEU A 31 2.761 -11.597 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.578 -11.852 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.074 -13.488 4.334 1.00 0.00 H new ATOM 0 HG LEU A 31 1.595 -13.866 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.001 -12.446 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.918 -11.515 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.343 -11.395 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.020 -14.401 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.401 -13.427 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.681 -14.899 3.066 1.00 0.00 H new ATOM 443 N GLN A 32 4.521 -13.919 7.563 1.00 0.00 N ATOM 444 CA GLN A 32 4.534 -15.075 8.451 1.00 0.00 C ATOM 445 C GLN A 32 4.581 -14.639 9.912 1.00 0.00 C ATOM 446 O GLN A 32 4.149 -15.370 10.802 1.00 0.00 O ATOM 447 CB GLN A 32 5.732 -15.973 8.137 1.00 0.00 C ATOM 448 CG GLN A 32 5.961 -17.066 9.168 1.00 0.00 C ATOM 449 CD GLN A 32 7.087 -18.005 8.784 1.00 0.00 C ATOM 450 OE1 GLN A 32 8.101 -18.093 9.478 1.00 0.00 O ATOM 451 NE2 GLN A 32 6.916 -18.712 7.673 1.00 0.00 N ATOM 0 H GLN A 32 5.420 -13.446 7.472 1.00 0.00 H new ATOM 0 HA GLN A 32 3.614 -15.637 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.585 -16.432 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.629 -15.357 8.068 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.187 -16.609 10.132 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.042 -17.639 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.060 -18.607 7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.641 -19.360 7.364 1.00 0.00 H new ATOM 460 N ALA A 33 5.107 -13.442 10.150 1.00 0.00 N ATOM 461 CA ALA A 33 5.209 -12.908 11.503 1.00 0.00 C ATOM 462 C ALA A 33 4.071 -11.935 11.795 1.00 0.00 C ATOM 463 O ALA A 33 3.701 -11.727 12.951 1.00 0.00 O ATOM 464 CB ALA A 33 6.554 -12.224 11.701 1.00 0.00 C ATOM 0 H ALA A 33 5.469 -12.824 9.424 1.00 0.00 H new ATOM 0 HA ALA A 33 5.131 -13.740 12.203 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.616 -11.830 12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.356 -12.945 11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.655 -11.406 10.988 1.00 0.00 H new ATOM 470 N ASP A 34 3.521 -11.342 10.742 1.00 0.00 N ATOM 471 CA ASP A 34 2.425 -10.391 10.886 1.00 0.00 C ATOM 472 C ASP A 34 1.154 -10.922 10.229 1.00 0.00 C ATOM 473 O ASP A 34 0.092 -10.306 10.318 1.00 0.00 O ATOM 474 CB ASP A 34 2.806 -9.043 10.271 1.00 0.00 C ATOM 475 CG ASP A 34 2.118 -7.879 10.956 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.191 -8.125 11.755 1.00 0.00 O ATOM 477 OD2 ASP A 34 2.505 -6.721 10.691 1.00 0.00 O ATOM 0 H ASP A 34 3.816 -11.503 9.779 1.00 0.00 H new ATOM 0 HA ASP A 34 2.233 -10.255 11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.886 -8.911 10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.546 -9.043 9.213 1.00 0.00 H new ATOM 482 N HIS A 35 1.271 -12.070 9.569 1.00 0.00 N ATOM 483 CA HIS A 35 0.132 -12.685 8.897 1.00 0.00 C ATOM 484 C HIS A 35 -0.553 -11.687 7.967 1.00 0.00 C ATOM 485 O HIS A 35 -1.761 -11.763 7.740 1.00 0.00 O ATOM 486 CB HIS A 35 -0.869 -13.213 9.924 1.00 0.00 C ATOM 487 CG HIS A 35 -0.258 -14.128 10.940 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.166 -15.406 10.644 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.001 -13.943 12.256 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.658 -15.968 11.734 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.570 -15.101 12.726 1.00 0.00 N ATOM 0 H HIS A 35 2.143 -12.593 9.485 1.00 0.00 H new ATOM 0 HA HIS A 35 0.501 -13.519 8.299 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.330 -12.369 10.438 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.666 -13.743 9.403 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.202 -13.051 12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.063 -16.967 11.802 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.875 -15.265 13.685 1.00 0.00 H new ATOM 499 N VAL A 36 0.226 -10.752 7.433 1.00 0.00 N ATOM 500 CA VAL A 36 -0.306 -9.740 6.528 1.00 0.00 C ATOM 501 C VAL A 36 0.817 -8.932 5.887 1.00 0.00 C ATOM 502 O VAL A 36 1.820 -8.623 6.531 1.00 0.00 O ATOM 503 CB VAL A 36 -1.261 -8.779 7.260 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.486 -7.868 8.200 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.067 -7.964 6.260 1.00 0.00 C ATOM 0 H VAL A 36 1.227 -10.674 7.611 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.859 -10.269 5.752 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.956 -9.370 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.178 -7.196 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.042 -8.471 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.234 -7.283 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.736 -7.290 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.390 -7.382 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.653 -8.635 5.632 1.00 0.00 H new ATOM 515 N CYS A 37 0.642 -8.593 4.614 1.00 0.00 N ATOM 516 CA CYS A 37 1.641 -7.821 3.884 1.00 0.00 C ATOM 517 C CYS A 37 1.132 -7.448 2.496 1.00 0.00 C ATOM 518 O CYS A 37 0.419 -8.222 1.855 1.00 0.00 O ATOM 519 CB CYS A 37 2.943 -8.614 3.767 1.00 0.00 C ATOM 520 SG CYS A 37 4.403 -7.594 3.453 1.00 0.00 S ATOM 0 H CYS A 37 -0.182 -8.841 4.067 1.00 0.00 H new ATOM 0 HA CYS A 37 1.832 -6.903 4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.097 -9.177 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.842 -9.342 2.962 1.00 0.00 H new ATOM 0 HG CYS A 37 4.941 -7.943 2.322 1.00 0.00 H new ATOM 526 N LEU A 38 1.500 -6.257 2.037 1.00 0.00 N ATOM 527 CA LEU A 38 1.079 -5.779 0.724 1.00 0.00 C ATOM 528 C LEU A 38 1.985 -6.331 -0.372 1.00 0.00 C ATOM 529 O LEU A 38 3.200 -6.136 -0.342 1.00 0.00 O ATOM 530 CB LEU A 38 1.089 -4.250 0.689 1.00 0.00 C ATOM 531 CG LEU A 38 1.027 -3.611 -0.699 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.417 -3.383 -1.118 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.803 -2.302 -0.718 1.00 0.00 C ATOM 0 H LEU A 38 2.089 -5.604 2.554 1.00 0.00 H new ATOM 0 HA LEU A 38 0.064 -6.133 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.243 -3.887 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.993 -3.901 1.188 1.00 0.00 H new ATOM 0 HG LEU A 38 1.487 -4.294 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.441 -2.928 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.943 -4.337 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.903 -2.720 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.748 -1.861 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.372 -1.613 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.845 -2.493 -0.463 1.00 0.00 H new ATOM 545 N GLU A 39 1.385 -7.017 -1.339 1.00 0.00 N ATOM 546 CA GLU A 39 2.139 -7.595 -2.446 1.00 0.00 C ATOM 547 C GLU A 39 2.622 -6.508 -3.402 1.00 0.00 C ATOM 548 O GLU A 39 3.815 -6.216 -3.475 1.00 0.00 O ATOM 549 CB GLU A 39 1.280 -8.610 -3.202 1.00 0.00 C ATOM 550 CG GLU A 39 2.051 -9.406 -4.242 1.00 0.00 C ATOM 551 CD GLU A 39 1.224 -10.517 -4.859 1.00 0.00 C ATOM 552 OE1 GLU A 39 1.109 -11.590 -4.232 1.00 0.00 O ATOM 553 OE2 GLU A 39 0.691 -10.311 -5.969 1.00 0.00 O ATOM 0 H GLU A 39 0.380 -7.186 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 39 3.010 -8.104 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.834 -9.300 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.460 -8.085 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.393 -8.733 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.940 -9.834 -3.780 1.00 0.00 H new ATOM 560 N ASN A 40 1.685 -5.912 -4.132 1.00 0.00 N ATOM 561 CA ASN A 40 2.014 -4.858 -5.085 1.00 0.00 C ATOM 562 C ASN A 40 0.939 -3.775 -5.090 1.00 0.00 C ATOM 563 O ASN A 40 -0.250 -4.065 -4.955 1.00 0.00 O ATOM 564 CB ASN A 40 2.171 -5.443 -6.490 1.00 0.00 C ATOM 565 CG ASN A 40 0.853 -5.917 -7.070 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.551 -7.110 -7.059 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.061 -4.982 -7.581 1.00 0.00 N ATOM 0 H ASN A 40 0.692 -6.141 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 40 2.958 -4.407 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.604 -4.690 -7.148 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.871 -6.278 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.839 -5.241 -7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.352 -4.005 -7.569 1.00 0.00 H new ATOM 574 N CYS A 41 1.366 -2.527 -5.248 1.00 0.00 N ATOM 575 CA CYS A 41 0.441 -1.399 -5.271 1.00 0.00 C ATOM 576 C CYS A 41 0.722 -0.490 -6.462 1.00 0.00 C ATOM 577 O CYS A 41 1.615 0.356 -6.415 1.00 0.00 O ATOM 578 CB CYS A 41 0.544 -0.602 -3.970 1.00 0.00 C ATOM 579 SG CYS A 41 -0.561 0.827 -3.891 1.00 0.00 S ATOM 0 H CYS A 41 2.347 -2.271 -5.362 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.571 -1.792 -5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.325 -1.264 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.572 -0.261 -3.846 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.403 1.436 -2.753 1.00 0.00 H new ATOM 585 N VAL A 42 -0.046 -0.671 -7.532 1.00 0.00 N ATOM 586 CA VAL A 42 0.120 0.133 -8.737 1.00 0.00 C ATOM 587 C VAL A 42 -0.703 1.415 -8.661 1.00 0.00 C ATOM 588 O VAL A 42 -1.607 1.537 -7.833 1.00 0.00 O ATOM 589 CB VAL A 42 -0.290 -0.653 -9.997 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.467 -1.969 -10.075 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.792 -0.891 -10.011 1.00 0.00 C ATOM 0 H VAL A 42 -0.789 -1.367 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 42 1.178 0.387 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.031 -0.060 -10.874 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.164 -2.510 -10.971 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.538 -1.771 -10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.242 -2.571 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.064 -1.447 -10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.078 -1.463 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.312 0.067 -10.007 1.00 0.00 H new ATOM 601 N LEU A 43 -0.386 2.368 -9.530 1.00 0.00 N ATOM 602 CA LEU A 43 -1.096 3.641 -9.562 1.00 0.00 C ATOM 603 C LEU A 43 -1.760 3.860 -10.918 1.00 0.00 C ATOM 604 O LEU A 43 -1.228 3.460 -11.954 1.00 0.00 O ATOM 605 CB LEU A 43 -0.134 4.792 -9.261 1.00 0.00 C ATOM 606 CG LEU A 43 -0.739 6.003 -8.550 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.299 6.677 -7.666 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.300 6.990 -9.563 1.00 0.00 C ATOM 0 H LEU A 43 0.358 2.283 -10.222 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.872 3.615 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.682 4.407 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.304 5.129 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.556 5.658 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.150 7.537 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.654 5.969 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.138 7.009 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.727 7.846 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.501 7.329 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.075 6.503 -10.154 1.00 0.00 H new ATOM 620 N LYS A 44 -2.924 4.501 -10.905 1.00 0.00 N ATOM 621 CA LYS A 44 -3.659 4.778 -12.133 1.00 0.00 C ATOM 622 C LYS A 44 -4.198 6.205 -12.134 1.00 0.00 C ATOM 623 O LYS A 44 -3.931 6.980 -11.216 1.00 0.00 O ATOM 624 CB LYS A 44 -4.813 3.785 -12.295 1.00 0.00 C ATOM 625 CG LYS A 44 -4.369 2.333 -12.309 1.00 0.00 C ATOM 626 CD LYS A 44 -5.444 1.415 -11.753 1.00 0.00 C ATOM 627 CE LYS A 44 -6.641 1.328 -12.687 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.644 2.391 -12.405 1.00 0.00 N ATOM 0 H LYS A 44 -3.379 4.839 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.972 4.668 -12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.524 3.931 -11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.342 4.003 -13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.128 2.035 -13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.457 2.225 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.029 0.419 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.768 1.780 -10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.303 1.413 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.111 0.350 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.585 2.071 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.661 2.590 -11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.388 3.256 -12.922 1.00 0.00 H new ATOM 642 N ASP A 45 -4.959 6.544 -13.169 1.00 0.00 N ATOM 643 CA ASP A 45 -5.537 7.877 -13.289 1.00 0.00 C ATOM 644 C ASP A 45 -6.433 8.189 -12.094 1.00 0.00 C ATOM 645 O ASP A 45 -7.439 7.517 -11.866 1.00 0.00 O ATOM 646 CB ASP A 45 -6.337 7.995 -14.587 1.00 0.00 C ATOM 647 CG ASP A 45 -7.049 6.705 -14.947 1.00 0.00 C ATOM 648 OD1 ASP A 45 -7.464 5.977 -14.021 1.00 0.00 O ATOM 649 OD2 ASP A 45 -7.191 6.424 -16.155 1.00 0.00 O ATOM 0 H ASP A 45 -5.190 5.914 -13.937 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.721 8.600 -13.308 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.070 8.796 -14.487 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.667 8.276 -15.399 1.00 0.00 H new ATOM 654 N LYS A 46 -6.061 9.214 -11.334 1.00 0.00 N ATOM 655 CA LYS A 46 -6.830 9.617 -10.163 1.00 0.00 C ATOM 656 C LYS A 46 -7.387 8.399 -9.432 1.00 0.00 C ATOM 657 O LYS A 46 -8.504 8.430 -8.917 1.00 0.00 O ATOM 658 CB LYS A 46 -7.975 10.546 -10.574 1.00 0.00 C ATOM 659 CG LYS A 46 -7.509 11.832 -11.233 1.00 0.00 C ATOM 660 CD LYS A 46 -7.397 11.677 -12.741 1.00 0.00 C ATOM 661 CE LYS A 46 -6.622 12.828 -13.364 1.00 0.00 C ATOM 662 NZ LYS A 46 -7.513 13.967 -13.721 1.00 0.00 N ATOM 0 H LYS A 46 -5.231 9.781 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.162 10.151 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.634 10.014 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.565 10.793 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.208 12.635 -11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.542 12.122 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.902 10.735 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.394 11.630 -13.178 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.857 13.170 -12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.106 12.477 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.947 14.731 -14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.228 13.647 -14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.987 14.319 -12.865 1.00 0.00 H new ATOM 676 N ALA A 47 -6.599 7.330 -9.389 1.00 0.00 N ATOM 677 CA ALA A 47 -7.012 6.103 -8.718 1.00 0.00 C ATOM 678 C ALA A 47 -5.824 5.173 -8.496 1.00 0.00 C ATOM 679 O ALA A 47 -4.826 5.243 -9.213 1.00 0.00 O ATOM 680 CB ALA A 47 -8.093 5.399 -9.524 1.00 0.00 C ATOM 0 H ALA A 47 -5.671 7.288 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.418 6.370 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.392 4.485 -9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.957 6.056 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.706 5.151 -10.512 1.00 0.00 H new ATOM 686 N ILE A 48 -5.939 4.303 -7.498 1.00 0.00 N ATOM 687 CA ILE A 48 -4.875 3.358 -7.183 1.00 0.00 C ATOM 688 C ILE A 48 -5.415 1.936 -7.078 1.00 0.00 C ATOM 689 O ILE A 48 -6.623 1.726 -6.967 1.00 0.00 O ATOM 690 CB ILE A 48 -4.169 3.725 -5.864 1.00 0.00 C ATOM 691 CG1 ILE A 48 -4.966 3.197 -4.669 1.00 0.00 C ATOM 692 CG2 ILE A 48 -3.988 5.232 -5.762 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.500 3.749 -3.340 1.00 0.00 C ATOM 0 H ILE A 48 -6.758 4.233 -6.894 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.155 3.411 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.184 3.258 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.019 3.444 -4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.894 2.110 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.488 5.476 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.383 5.583 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.963 5.718 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.110 3.332 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.456 3.479 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.598 4.835 -3.342 1.00 0.00 H new ATOM 705 N ALA A 49 -4.512 0.962 -7.114 1.00 0.00 N ATOM 706 CA ALA A 49 -4.897 -0.441 -7.019 1.00 0.00 C ATOM 707 C ALA A 49 -3.762 -1.285 -6.448 1.00 0.00 C ATOM 708 O ALA A 49 -2.590 -1.038 -6.729 1.00 0.00 O ATOM 709 CB ALA A 49 -5.313 -0.967 -8.385 1.00 0.00 C ATOM 0 H ALA A 49 -3.508 1.119 -7.208 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.746 -0.514 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.598 -2.016 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.160 -0.390 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.479 -0.873 -9.080 1.00 0.00 H new ATOM 715 N GLY A 50 -4.119 -2.281 -5.644 1.00 0.00 N ATOM 716 CA GLY A 50 -3.118 -3.146 -5.045 1.00 0.00 C ATOM 717 C GLY A 50 -3.720 -4.402 -4.447 1.00 0.00 C ATOM 718 O GLY A 50 -4.915 -4.448 -4.151 1.00 0.00 O ATOM 0 H GLY A 50 -5.083 -2.505 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.383 -3.423 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.585 -2.597 -4.269 1.00 0.00 H new ATOM 722 N THR A 51 -2.892 -5.426 -4.270 1.00 0.00 N ATOM 723 CA THR A 51 -3.349 -6.690 -3.706 1.00 0.00 C ATOM 724 C THR A 51 -2.645 -6.992 -2.389 1.00 0.00 C ATOM 725 O THR A 51 -1.427 -6.853 -2.278 1.00 0.00 O ATOM 726 CB THR A 51 -3.112 -7.859 -4.681 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.725 -7.931 -5.031 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.950 -7.692 -5.940 1.00 0.00 C ATOM 0 H THR A 51 -1.901 -5.405 -4.509 1.00 0.00 H new ATOM 0 HA THR A 51 -4.419 -6.587 -3.527 1.00 0.00 H new ATOM 0 HB THR A 51 -3.410 -8.783 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.582 -8.677 -5.650 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.766 -8.529 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.007 -7.667 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.679 -6.760 -6.437 1.00 0.00 H new ATOM 736 N VAL A 52 -3.419 -7.407 -1.391 1.00 0.00 N ATOM 737 CA VAL A 52 -2.868 -7.730 -0.080 1.00 0.00 C ATOM 738 C VAL A 52 -2.906 -9.232 0.177 1.00 0.00 C ATOM 739 O VAL A 52 -3.868 -9.911 -0.183 1.00 0.00 O ATOM 740 CB VAL A 52 -3.635 -7.009 1.045 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.192 -7.521 2.407 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.438 -5.504 0.942 1.00 0.00 C ATOM 0 H VAL A 52 -4.429 -7.527 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.832 -7.390 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.698 -7.223 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.745 -7.000 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.389 -8.591 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.125 -7.339 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.986 -5.010 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.377 -5.269 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.809 -5.154 -0.021 1.00 0.00 H new ATOM 752 N LYS A 53 -1.852 -9.747 0.802 1.00 0.00 N ATOM 753 CA LYS A 53 -1.764 -11.169 1.110 1.00 0.00 C ATOM 754 C LYS A 53 -2.037 -11.424 2.589 1.00 0.00 C ATOM 755 O LYS A 53 -1.784 -10.566 3.434 1.00 0.00 O ATOM 756 CB LYS A 53 -0.381 -11.708 0.736 1.00 0.00 C ATOM 757 CG LYS A 53 -0.233 -12.028 -0.742 1.00 0.00 C ATOM 758 CD LYS A 53 -1.116 -13.194 -1.151 1.00 0.00 C ATOM 759 CE LYS A 53 -0.843 -13.624 -2.585 1.00 0.00 C ATOM 760 NZ LYS A 53 0.531 -14.172 -2.747 1.00 0.00 N ATOM 0 H LYS A 53 -1.046 -9.200 1.105 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.521 -11.689 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.374 -10.974 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.182 -12.609 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.492 -11.150 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.808 -12.264 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.945 -14.035 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.164 -12.912 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.572 -14.377 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.975 -12.771 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.486 -15.079 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.111 -13.500 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.958 -14.320 -1.810 1.00 0.00 H new ATOM 774 N VAL A 54 -2.554 -12.610 2.895 1.00 0.00 N ATOM 775 CA VAL A 54 -2.859 -12.978 4.272 1.00 0.00 C ATOM 776 C VAL A 54 -2.725 -14.483 4.481 1.00 0.00 C ATOM 777 O VAL A 54 -2.867 -15.264 3.541 1.00 0.00 O ATOM 778 CB VAL A 54 -4.282 -12.541 4.668 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.432 -11.033 4.543 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.317 -13.260 3.815 1.00 0.00 C ATOM 0 H VAL A 54 -2.770 -13.332 2.208 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.138 -12.460 4.905 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.450 -12.814 5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.444 -10.743 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.715 -10.540 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.244 -10.733 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.317 -12.939 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.153 -13.020 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.224 -14.336 3.960 1.00 0.00 H new ATOM 790 N GLN A 55 -2.452 -14.881 5.719 1.00 0.00 N ATOM 791 CA GLN A 55 -2.298 -16.292 6.051 1.00 0.00 C ATOM 792 C GLN A 55 -3.656 -16.947 6.286 1.00 0.00 C ATOM 793 O GLN A 55 -4.606 -16.292 6.710 1.00 0.00 O ATOM 794 CB GLN A 55 -1.419 -16.453 7.292 1.00 0.00 C ATOM 795 CG GLN A 55 0.070 -16.382 6.997 1.00 0.00 C ATOM 796 CD GLN A 55 0.895 -17.229 7.947 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.364 -17.830 8.880 1.00 0.00 O ATOM 798 NE2 GLN A 55 2.201 -17.280 7.713 1.00 0.00 N ATOM 0 H GLN A 55 -2.333 -14.246 6.509 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.817 -16.787 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.676 -15.676 8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.642 -17.410 7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.250 -16.711 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.400 -15.345 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.599 -16.765 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.806 -17.834 8.319 1.00 0.00 H new ATOM 807 N ASN A 56 -3.738 -18.244 6.006 1.00 0.00 N ATOM 808 CA ASN A 56 -4.980 -18.987 6.187 1.00 0.00 C ATOM 809 C ASN A 56 -5.170 -19.382 7.648 1.00 0.00 C ATOM 810 O ASN A 56 -5.443 -20.543 7.958 1.00 0.00 O ATOM 811 CB ASN A 56 -4.983 -20.237 5.304 1.00 0.00 C ATOM 812 CG ASN A 56 -3.656 -20.970 5.336 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.705 -20.586 4.655 1.00 0.00 O ATOM 814 ND2 ASN A 56 -3.586 -22.033 6.129 1.00 0.00 N ATOM 0 H ASN A 56 -2.960 -18.802 5.653 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.807 -18.341 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.775 -20.910 5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.213 -19.953 4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.719 -22.567 6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.399 -22.316 6.676 1.00 0.00 H new ATOM 821 N LEU A 57 -5.025 -18.410 8.541 1.00 0.00 N ATOM 822 CA LEU A 57 -5.181 -18.655 9.971 1.00 0.00 C ATOM 823 C LEU A 57 -6.612 -19.070 10.299 1.00 0.00 C ATOM 824 O LEU A 57 -6.843 -20.129 10.882 1.00 0.00 O ATOM 825 CB LEU A 57 -4.806 -17.404 10.767 1.00 0.00 C ATOM 826 CG LEU A 57 -3.461 -16.765 10.419 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.314 -15.420 11.113 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.316 -17.693 10.800 1.00 0.00 C ATOM 0 H LEU A 57 -4.800 -17.445 8.301 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.513 -19.469 10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.588 -16.658 10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.801 -17.660 11.827 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.426 -16.600 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.351 -14.980 10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.115 -14.755 10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.370 -15.560 12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.366 -17.223 10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.348 -17.889 11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.413 -18.633 10.256 1.00 0.00 H new ATOM 840 N ALA A 58 -7.569 -18.230 9.917 1.00 0.00 N ATOM 841 CA ALA A 58 -8.977 -18.512 10.167 1.00 0.00 C ATOM 842 C ALA A 58 -9.758 -18.603 8.861 1.00 0.00 C ATOM 843 O ALA A 58 -9.341 -18.061 7.837 1.00 0.00 O ATOM 844 CB ALA A 58 -9.577 -17.444 11.070 1.00 0.00 C ATOM 0 H ALA A 58 -7.395 -17.349 9.433 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.046 -19.477 10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.629 -17.667 11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.043 -17.429 12.020 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.489 -16.470 10.589 1.00 0.00 H new ATOM 850 N PHE A 59 -10.894 -19.292 8.903 1.00 0.00 N ATOM 851 CA PHE A 59 -11.733 -19.455 7.722 1.00 0.00 C ATOM 852 C PHE A 59 -12.178 -18.100 7.179 1.00 0.00 C ATOM 853 O PHE A 59 -11.941 -17.779 6.015 1.00 0.00 O ATOM 854 CB PHE A 59 -12.957 -20.311 8.054 1.00 0.00 C ATOM 855 CG PHE A 59 -13.494 -21.072 6.876 1.00 0.00 C ATOM 856 CD1 PHE A 59 -13.845 -20.412 5.709 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.648 -22.448 6.935 1.00 0.00 C ATOM 858 CE1 PHE A 59 -14.340 -21.110 4.624 1.00 0.00 C ATOM 859 CE2 PHE A 59 -14.142 -23.152 5.852 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.488 -22.482 4.695 1.00 0.00 C ATOM 0 H PHE A 59 -11.254 -19.746 9.742 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.144 -19.958 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.694 -21.016 8.843 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.743 -19.668 8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -13.730 -19.340 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.379 -22.977 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -14.611 -20.583 3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.257 -24.224 5.911 1.00 0.00 H new ATOM 0 HZ PHE A 59 -14.873 -23.029 3.847 1.00 0.00 H new ATOM 870 N GLU A 60 -12.825 -17.311 8.031 1.00 0.00 N ATOM 871 CA GLU A 60 -13.304 -15.992 7.637 1.00 0.00 C ATOM 872 C GLU A 60 -12.344 -14.902 8.103 1.00 0.00 C ATOM 873 O GLU A 60 -11.880 -14.914 9.244 1.00 0.00 O ATOM 874 CB GLU A 60 -14.699 -15.739 8.212 1.00 0.00 C ATOM 875 CG GLU A 60 -15.743 -16.737 7.741 1.00 0.00 C ATOM 876 CD GLU A 60 -16.939 -16.814 8.670 1.00 0.00 C ATOM 877 OE1 GLU A 60 -16.822 -17.456 9.735 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.991 -16.232 8.333 1.00 0.00 O ATOM 0 H GLU A 60 -13.029 -17.563 8.998 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.357 -15.963 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.645 -15.769 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.019 -14.734 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.081 -16.459 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.287 -17.724 7.660 1.00 0.00 H new ATOM 885 N LYS A 61 -12.048 -13.961 7.213 1.00 0.00 N ATOM 886 CA LYS A 61 -11.144 -12.863 7.531 1.00 0.00 C ATOM 887 C LYS A 61 -11.762 -11.521 7.150 1.00 0.00 C ATOM 888 O LYS A 61 -12.782 -11.468 6.462 1.00 0.00 O ATOM 889 CB LYS A 61 -9.810 -13.046 6.805 1.00 0.00 C ATOM 890 CG LYS A 61 -9.959 -13.508 5.366 1.00 0.00 C ATOM 891 CD LYS A 61 -8.778 -14.357 4.926 1.00 0.00 C ATOM 892 CE LYS A 61 -8.944 -15.807 5.355 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.811 -16.568 4.413 1.00 0.00 N ATOM 0 H LYS A 61 -12.422 -13.937 6.264 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.969 -12.870 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.265 -12.102 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.206 -13.771 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.880 -14.082 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.048 -12.640 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.676 -14.306 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.859 -13.953 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.965 -16.283 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.375 -15.843 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.575 -17.034 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.222 -15.915 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.242 -17.287 3.922 1.00 0.00 H new ATOM 907 N THR A 62 -11.137 -10.437 7.601 1.00 0.00 N ATOM 908 CA THR A 62 -11.625 -9.096 7.307 1.00 0.00 C ATOM 909 C THR A 62 -10.476 -8.157 6.958 1.00 0.00 C ATOM 910 O THR A 62 -9.698 -7.762 7.826 1.00 0.00 O ATOM 911 CB THR A 62 -12.409 -8.510 8.497 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.492 -9.379 8.845 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.948 -7.128 8.161 1.00 0.00 C ATOM 0 H THR A 62 -10.292 -10.463 8.171 1.00 0.00 H new ATOM 0 HA THR A 62 -12.292 -9.183 6.450 1.00 0.00 H new ATOM 0 HB THR A 62 -11.729 -8.421 9.344 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.985 -9.001 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.498 -6.734 9.016 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.119 -6.461 7.925 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.614 -7.197 7.301 1.00 0.00 H new ATOM 921 N VAL A 63 -10.375 -7.802 5.681 1.00 0.00 N ATOM 922 CA VAL A 63 -9.322 -6.907 5.217 1.00 0.00 C ATOM 923 C VAL A 63 -9.888 -5.545 4.831 1.00 0.00 C ATOM 924 O VAL A 63 -10.827 -5.452 4.040 1.00 0.00 O ATOM 925 CB VAL A 63 -8.574 -7.500 4.008 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.536 -6.518 3.488 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.925 -8.825 4.382 1.00 0.00 C ATOM 0 H VAL A 63 -11.010 -8.121 4.949 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.623 -6.786 6.045 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.295 -7.685 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.018 -6.954 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.029 -5.596 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.816 -6.299 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.401 -9.230 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.216 -8.666 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.693 -9.529 4.703 1.00 0.00 H new ATOM 937 N LYS A 64 -9.311 -4.490 5.396 1.00 0.00 N ATOM 938 CA LYS A 64 -9.756 -3.131 5.111 1.00 0.00 C ATOM 939 C LYS A 64 -8.573 -2.169 5.070 1.00 0.00 C ATOM 940 O LYS A 64 -7.765 -2.123 5.999 1.00 0.00 O ATOM 941 CB LYS A 64 -10.765 -2.671 6.166 1.00 0.00 C ATOM 942 CG LYS A 64 -12.205 -3.000 5.814 1.00 0.00 C ATOM 943 CD LYS A 64 -13.056 -3.178 7.060 1.00 0.00 C ATOM 944 CE LYS A 64 -14.352 -3.913 6.750 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.420 -3.594 7.737 1.00 0.00 N ATOM 0 H LYS A 64 -8.534 -4.550 6.054 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.237 -3.130 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.518 -3.136 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.670 -1.594 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.621 -2.203 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.236 -3.912 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.493 -3.732 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.284 -2.202 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.691 -3.645 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.169 -4.987 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.286 -4.114 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.107 -3.872 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.613 -2.572 7.721 1.00 0.00 H new ATOM 959 N ILE A 65 -8.478 -1.401 3.990 1.00 0.00 N ATOM 960 CA ILE A 65 -7.395 -0.438 3.830 1.00 0.00 C ATOM 961 C ILE A 65 -7.838 0.961 4.246 1.00 0.00 C ATOM 962 O ILE A 65 -8.771 1.523 3.673 1.00 0.00 O ATOM 963 CB ILE A 65 -6.891 -0.394 2.376 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.284 -1.742 1.982 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.872 0.722 2.202 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.093 -2.138 2.826 1.00 0.00 C ATOM 0 H ILE A 65 -9.138 -1.427 3.213 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.582 -0.767 4.477 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.738 -0.192 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.049 -2.514 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.981 -1.703 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.525 0.740 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.334 1.678 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.025 0.548 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.714 -3.104 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.310 -1.386 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.395 -2.210 3.871 1.00 0.00 H new ATOM 978 N ARG A 66 -7.160 1.518 5.244 1.00 0.00 N ATOM 979 CA ARG A 66 -7.482 2.852 5.736 1.00 0.00 C ATOM 980 C ARG A 66 -6.482 3.880 5.216 1.00 0.00 C ATOM 981 O ARG A 66 -5.275 3.741 5.413 1.00 0.00 O ATOM 982 CB ARG A 66 -7.495 2.865 7.265 1.00 0.00 C ATOM 983 CG ARG A 66 -6.192 2.394 7.890 1.00 0.00 C ATOM 984 CD ARG A 66 -6.187 2.606 9.395 1.00 0.00 C ATOM 985 NE ARG A 66 -5.860 3.983 9.753 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.427 4.348 10.955 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.269 3.441 11.909 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.150 5.622 11.203 1.00 0.00 N ATOM 0 H ARG A 66 -6.384 1.066 5.728 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.473 3.118 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.708 3.877 7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.308 2.230 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.043 1.337 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.357 2.933 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.166 2.349 9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.464 1.931 9.854 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.970 4.705 9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.480 2.461 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.936 3.723 12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.269 6.322 10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.818 5.901 12.126 1.00 0.00 H new ATOM 1002 N MET A 67 -6.992 4.911 4.550 1.00 0.00 N ATOM 1003 CA MET A 67 -6.143 5.962 4.003 1.00 0.00 C ATOM 1004 C MET A 67 -6.686 7.342 4.362 1.00 0.00 C ATOM 1005 O MET A 67 -7.892 7.582 4.299 1.00 0.00 O ATOM 1006 CB MET A 67 -6.038 5.823 2.483 1.00 0.00 C ATOM 1007 CG MET A 67 -5.514 7.072 1.793 1.00 0.00 C ATOM 1008 SD MET A 67 -4.560 6.697 0.309 1.00 0.00 S ATOM 1009 CE MET A 67 -5.872 6.456 -0.886 1.00 0.00 C ATOM 0 H MET A 67 -7.989 5.041 4.376 1.00 0.00 H new ATOM 0 HA MET A 67 -5.150 5.856 4.440 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.382 4.985 2.248 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.021 5.581 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.353 7.715 1.528 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.890 7.633 2.489 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.881 5.416 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.830 6.702 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.704 7.104 -1.746 1.00 0.00 H new ATOM 1019 N THR A 68 -5.788 8.246 4.740 1.00 0.00 N ATOM 1020 CA THR A 68 -6.176 9.601 5.110 1.00 0.00 C ATOM 1021 C THR A 68 -5.703 10.613 4.073 1.00 0.00 C ATOM 1022 O THR A 68 -4.864 10.303 3.227 1.00 0.00 O ATOM 1023 CB THR A 68 -5.608 9.992 6.488 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.066 11.298 6.854 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.087 9.968 6.472 1.00 0.00 C ATOM 0 H THR A 68 -4.786 8.064 4.798 1.00 0.00 H new ATOM 0 HA THR A 68 -7.265 9.615 5.156 1.00 0.00 H new ATOM 0 HB THR A 68 -5.960 9.266 7.221 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.817 11.218 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.708 10.247 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.742 8.965 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.720 10.675 5.728 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.247 11.823 4.143 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.880 12.881 3.208 1.00 0.00 C ATOM 1035 C PHE A 69 -5.560 14.176 3.950 1.00 0.00 C ATOM 1036 O PHE A 69 -5.101 15.149 3.353 1.00 0.00 O ATOM 1037 CB PHE A 69 -7.011 13.120 2.206 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.309 11.928 1.343 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.597 11.706 0.175 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.301 11.029 1.699 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.869 10.610 -0.622 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.576 9.930 0.907 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.860 9.721 -0.256 1.00 0.00 C ATOM 0 H PHE A 69 -6.943 12.096 4.837 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.988 12.562 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.914 13.400 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.748 13.964 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.820 12.398 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.866 11.189 2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.307 10.449 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.350 9.235 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.075 8.864 -0.877 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.808 14.179 5.255 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.547 15.353 6.080 1.00 0.00 C ATOM 1055 C ASP A 70 -4.847 14.960 7.378 1.00 0.00 C ATOM 1056 O ASP A 70 -5.496 14.662 8.381 1.00 0.00 O ATOM 1057 CB ASP A 70 -6.854 16.084 6.392 1.00 0.00 C ATOM 1058 CG ASP A 70 -6.655 17.577 6.562 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -5.539 17.987 6.944 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -7.616 18.336 6.314 1.00 0.00 O ATOM 0 H ASP A 70 -6.189 13.382 5.764 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.891 16.021 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.568 15.905 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.289 15.672 7.303 1.00 0.00 H new ATOM 1065 N THR A 71 -3.518 14.961 7.351 1.00 0.00 N ATOM 1066 CA THR A 71 -2.730 14.603 8.523 1.00 0.00 C ATOM 1067 C THR A 71 -3.453 13.568 9.377 1.00 0.00 C ATOM 1068 O THR A 71 -3.668 13.775 10.571 1.00 0.00 O ATOM 1069 CB THR A 71 -2.418 15.839 9.389 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.349 17.009 8.567 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.105 15.659 10.135 1.00 0.00 C ATOM 0 H THR A 71 -2.965 15.206 6.530 1.00 0.00 H new ATOM 0 HA THR A 71 -1.795 14.179 8.157 1.00 0.00 H new ATOM 0 HB THR A 71 -3.219 15.956 10.119 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.152 17.790 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.906 16.544 10.739 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.171 14.785 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.296 15.519 9.418 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.824 12.453 8.757 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.523 11.384 9.462 1.00 0.00 C ATOM 1081 C TRP A 72 -5.610 11.950 10.369 1.00 0.00 C ATOM 1082 O TRP A 72 -5.662 11.642 11.560 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.534 10.557 10.285 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.416 9.983 9.469 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.375 10.668 8.910 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.228 8.608 9.118 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.551 9.801 8.233 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.052 8.531 8.346 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -2.938 7.433 9.383 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -0.574 7.327 7.837 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -2.461 6.239 8.876 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -1.288 6.193 8.112 1.00 0.00 C ATOM 0 H TRP A 72 -3.653 12.266 7.769 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.995 10.740 8.720 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.115 11.183 11.073 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.071 9.745 10.775 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.222 11.734 8.988 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.296 10.061 7.728 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.842 7.458 9.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.329 7.289 7.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.002 5.325 9.072 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.940 5.244 7.733 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.478 12.779 9.799 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.566 13.387 10.556 1.00 0.00 C ATOM 1105 C LYS A 73 -8.834 12.545 10.458 1.00 0.00 C ATOM 1106 O LYS A 73 -9.571 12.400 11.433 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.841 14.803 10.046 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.942 15.859 10.667 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.608 17.224 10.673 1.00 0.00 C ATOM 1110 CE LYS A 73 -8.996 17.165 11.294 1.00 0.00 C ATOM 1111 NZ LYS A 73 -9.421 18.488 11.829 1.00 0.00 N ATOM 0 H LYS A 73 -6.449 13.045 8.815 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.264 13.437 11.602 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.714 14.821 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.881 15.058 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.692 15.571 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.005 15.913 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.990 17.929 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.681 17.599 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.714 16.828 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.003 16.429 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.371 18.406 12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.750 18.799 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.439 19.185 11.057 1.00 0.00 H new ATOM 1125 N SER A 74 -9.082 11.992 9.275 1.00 0.00 N ATOM 1126 CA SER A 74 -10.262 11.166 9.049 1.00 0.00 C ATOM 1127 C SER A 74 -10.130 10.372 7.753 1.00 0.00 C ATOM 1128 O SER A 74 -10.172 10.936 6.659 1.00 0.00 O ATOM 1129 CB SER A 74 -11.519 12.038 9.001 1.00 0.00 C ATOM 1130 OG SER A 74 -12.689 11.254 9.155 1.00 0.00 O ATOM 0 H SER A 74 -8.481 12.101 8.458 1.00 0.00 H new ATOM 0 HA SER A 74 -10.347 10.463 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.475 12.789 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.558 12.573 8.052 1.00 0.00 H new ATOM 0 HG SER A 74 -13.478 11.834 9.123 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.971 9.060 7.884 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.830 8.188 6.725 1.00 0.00 C ATOM 1138 C TYR A 75 -11.086 7.346 6.520 1.00 0.00 C ATOM 1139 O TYR A 75 -11.960 7.291 7.386 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.613 7.276 6.891 1.00 0.00 C ATOM 1141 CG TYR A 75 -8.546 6.596 8.240 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.281 5.445 8.496 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -7.749 7.104 9.258 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -9.223 4.820 9.727 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -7.684 6.486 10.491 1.00 0.00 C ATOM 1146 CZ TYR A 75 -8.423 5.344 10.721 1.00 0.00 C ATOM 1147 OH TYR A 75 -8.363 4.726 11.949 1.00 0.00 O ATOM 0 H TYR A 75 -9.937 8.577 8.782 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.688 8.816 5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.630 6.515 6.110 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.707 7.863 6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.908 5.032 7.720 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.170 7.998 9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.801 3.926 9.910 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.058 6.894 11.271 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.753 5.221 12.535 1.00 0.00 H new ATOM 1157 N THR A 76 -11.169 6.689 5.367 1.00 0.00 N ATOM 1158 CA THR A 76 -12.317 5.851 5.046 1.00 0.00 C ATOM 1159 C THR A 76 -11.909 4.388 4.912 1.00 0.00 C ATOM 1160 O THR A 76 -10.957 4.062 4.202 1.00 0.00 O ATOM 1161 CB THR A 76 -12.997 6.304 3.741 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.314 7.699 3.813 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.265 5.504 3.485 1.00 0.00 C ATOM 0 H THR A 76 -10.454 6.721 4.640 1.00 0.00 H new ATOM 0 HA THR A 76 -13.024 5.955 5.869 1.00 0.00 H new ATOM 0 HB THR A 76 -12.305 6.130 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.745 7.980 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.728 5.842 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.017 4.446 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.960 5.650 4.312 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.634 3.511 5.596 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.348 2.081 5.551 1.00 0.00 C ATOM 1173 C ASP A 77 -12.900 1.457 4.274 1.00 0.00 C ATOM 1174 O ASP A 77 -14.087 1.143 4.187 1.00 0.00 O ATOM 1175 CB ASP A 77 -12.943 1.382 6.775 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.070 1.527 8.006 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -10.925 1.028 7.985 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -12.531 2.141 8.990 1.00 0.00 O ATOM 0 H ASP A 77 -13.425 3.764 6.189 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.266 1.951 5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.930 1.796 6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.081 0.324 6.554 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.031 1.280 3.284 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.432 0.695 2.010 1.00 0.00 C ATOM 1185 C PHE A 78 -12.382 -0.829 2.072 1.00 0.00 C ATOM 1186 O PHE A 78 -11.372 -1.428 2.441 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.527 1.200 0.885 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.348 2.691 0.884 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.397 3.528 0.541 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.130 3.257 1.226 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.236 4.901 0.539 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.963 4.628 1.226 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.017 5.452 0.881 1.00 0.00 C ATOM 0 H PHE A 78 -11.045 1.533 3.340 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.458 1.000 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.550 0.725 0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.945 0.892 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.353 3.103 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.302 2.618 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.063 5.542 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.009 5.056 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.888 6.524 0.879 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.500 -1.473 1.703 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.610 -2.934 1.707 1.00 0.00 C ATOM 1205 C PRO A 79 -12.760 -3.583 0.620 1.00 0.00 C ATOM 1206 O PRO A 79 -12.775 -3.152 -0.533 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.098 -3.179 1.440 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.556 -1.964 0.709 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.742 -0.822 1.251 1.00 0.00 C ATOM 0 HA PRO A 79 -13.254 -3.366 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.251 -4.080 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.650 -3.313 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.406 -2.075 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.621 -1.793 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.546 -0.070 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.253 -0.318 2.071 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.021 -4.621 0.995 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.164 -5.330 0.051 1.00 0.00 C ATOM 1219 C CYS A 80 -11.928 -6.456 -0.638 1.00 0.00 C ATOM 1220 O CYS A 80 -12.730 -7.148 -0.011 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.937 -5.894 0.769 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.554 -4.736 0.889 1.00 0.00 S ATOM 0 H CYS A 80 -11.998 -4.990 1.945 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.837 -4.620 -0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.227 -6.202 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.603 -6.789 0.245 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.434 -5.397 0.900 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.674 -6.632 -1.930 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.340 -7.673 -2.704 1.00 0.00 C ATOM 1230 C GLN A 81 -11.487 -8.935 -2.767 1.00 0.00 C ATOM 1231 O GLN A 81 -10.361 -8.961 -2.269 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.638 -7.173 -4.119 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.779 -6.171 -4.183 1.00 0.00 C ATOM 1234 CD GLN A 81 -15.130 -6.834 -4.358 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.608 -7.011 -5.479 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -15.755 -7.207 -3.247 1.00 0.00 N ATOM 0 H GLN A 81 -11.012 -6.068 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.279 -7.916 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.739 -6.714 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.879 -8.026 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.786 -5.576 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.607 -5.483 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.322 -7.041 -2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.667 -7.659 -3.303 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.030 -9.980 -3.381 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.320 -11.247 -3.506 1.00 0.00 C ATOM 1247 C TYR A 82 -10.887 -11.489 -4.949 1.00 0.00 C ATOM 1248 O TYR A 82 -11.681 -11.351 -5.879 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.203 -12.401 -3.026 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.716 -13.761 -3.471 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.483 -14.250 -3.056 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -12.489 -14.558 -4.307 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.034 -15.492 -3.461 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -12.048 -15.802 -4.715 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.821 -16.265 -4.290 1.00 0.00 C ATOM 1256 OH TYR A 82 -10.378 -17.503 -4.695 1.00 0.00 O ATOM 0 H TYR A 82 -12.960 -9.975 -3.800 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.428 -11.197 -2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.253 -12.381 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.217 -12.249 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.865 -13.649 -2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.450 -14.199 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.072 -15.856 -3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.662 -16.409 -5.364 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.051 -17.918 -5.274 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.621 -11.852 -5.127 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.081 -12.116 -6.455 1.00 0.00 C ATOM 1268 C VAL A 83 -9.048 -13.612 -6.748 1.00 0.00 C ATOM 1269 O VAL A 83 -8.342 -14.371 -6.084 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.659 -11.543 -6.607 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.101 -11.858 -7.986 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.660 -10.043 -6.353 1.00 0.00 C ATOM 0 H VAL A 83 -8.950 -11.970 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.742 -11.623 -7.169 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.015 -12.014 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.096 -11.445 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.063 -12.938 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.743 -11.416 -8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.648 -9.654 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.318 -9.553 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.015 -9.845 -5.342 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.183 -17.174 0.403 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.151 -16.291 -0.237 1.00 0.00 C ATOM 1417 C ASP A 93 -5.511 -14.954 -0.599 1.00 0.00 C ATOM 1418 O ASP A 93 -4.549 -14.521 0.036 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.352 -16.064 0.682 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.982 -17.363 1.144 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.445 -17.979 2.088 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.010 -17.765 0.560 1.00 0.00 O ATOM 0 HA ASP A 93 -6.492 -16.770 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.036 -15.487 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.099 -15.468 0.158 1.00 0.00 H new ATOM 1427 N THR A 94 -6.051 -14.304 -1.625 1.00 0.00 N ATOM 1428 CA THR A 94 -5.533 -13.018 -2.073 1.00 0.00 C ATOM 1429 C THR A 94 -6.657 -12.005 -2.258 1.00 0.00 C ATOM 1430 O THR A 94 -7.626 -12.262 -2.973 1.00 0.00 O ATOM 1431 CB THR A 94 -4.759 -13.155 -3.398 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.759 -14.173 -3.278 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.104 -11.837 -3.781 1.00 0.00 C ATOM 0 H THR A 94 -6.848 -14.648 -2.162 1.00 0.00 H new ATOM 0 HA THR A 94 -4.853 -12.665 -1.297 1.00 0.00 H new ATOM 0 HB THR A 94 -5.467 -13.431 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.283 -14.266 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.563 -11.959 -4.720 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.870 -11.071 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.408 -11.535 -2.998 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.522 -10.853 -1.609 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.528 -9.801 -1.701 1.00 0.00 C ATOM 1443 C PHE A 95 -6.977 -8.586 -2.441 1.00 0.00 C ATOM 1444 O PHE A 95 -5.764 -8.386 -2.511 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.998 -9.392 -0.304 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.557 -10.533 0.498 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.714 -11.443 1.114 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.927 -10.695 0.635 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.225 -12.493 1.853 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.443 -11.743 1.373 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.592 -12.644 1.982 1.00 0.00 C ATOM 0 H PHE A 95 -5.726 -10.624 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.377 -10.192 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.161 -8.953 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.759 -8.617 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.644 -11.331 1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.598 -9.995 0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.556 -13.195 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.512 -11.858 1.474 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.994 -13.465 2.558 1.00 0.00 H new ATOM 1461 N SER A 96 -7.877 -7.777 -2.990 1.00 0.00 N ATOM 1462 CA SER A 96 -7.482 -6.583 -3.729 1.00 0.00 C ATOM 1463 C SER A 96 -8.196 -5.348 -3.186 1.00 0.00 C ATOM 1464 O SER A 96 -9.201 -5.456 -2.484 1.00 0.00 O ATOM 1465 CB SER A 96 -7.792 -6.752 -5.217 1.00 0.00 C ATOM 1466 OG SER A 96 -6.889 -6.005 -6.014 1.00 0.00 O ATOM 0 H SER A 96 -8.885 -7.926 -2.937 1.00 0.00 H new ATOM 0 HA SER A 96 -6.408 -6.446 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.733 -7.807 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.813 -6.428 -5.418 1.00 0.00 H new ATOM 0 HG SER A 96 -6.311 -5.465 -5.435 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.668 -4.174 -3.517 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.252 -2.918 -3.064 1.00 0.00 C ATOM 1474 C PHE A 97 -8.159 -1.851 -4.150 1.00 0.00 C ATOM 1475 O PHE A 97 -7.128 -1.708 -4.809 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.549 -2.432 -1.795 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.142 -1.961 -2.032 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.900 -0.726 -2.612 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.063 -2.752 -1.675 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.608 -0.290 -2.833 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.767 -2.321 -1.892 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.540 -1.088 -2.471 1.00 0.00 C ATOM 0 H PHE A 97 -6.836 -4.067 -4.098 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.305 -3.095 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.127 -1.618 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.535 -3.241 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.731 -0.097 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.236 -3.717 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.433 0.674 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.934 -2.948 -1.609 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.529 -0.748 -2.641 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.243 -1.105 -4.333 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.285 -0.050 -5.339 1.00 0.00 C ATOM 1494 C ASP A 98 -9.766 1.264 -4.730 1.00 0.00 C ATOM 1495 O ASP A 98 -10.958 1.443 -4.479 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.199 -0.455 -6.496 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.397 -1.260 -6.032 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -12.222 -0.711 -5.273 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -11.509 -2.439 -6.428 1.00 0.00 O ATOM 0 H ASP A 98 -10.105 -1.211 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.274 0.096 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.545 0.440 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.629 -1.040 -7.218 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.831 2.178 -4.493 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.160 3.474 -3.914 1.00 0.00 C ATOM 1506 C ILE A 99 -9.078 4.581 -4.959 1.00 0.00 C ATOM 1507 O ILE A 99 -8.119 4.653 -5.728 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.223 3.821 -2.741 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.389 2.804 -1.610 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.502 5.230 -2.240 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.184 2.711 -0.700 1.00 0.00 C ATOM 0 H ILE A 99 -7.840 2.045 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.183 3.403 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.192 3.779 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.263 3.072 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.586 1.822 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.832 5.461 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.338 5.943 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.536 5.298 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.372 1.971 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.311 2.413 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.999 3.682 -0.241 1.00 0.00 H new ATOM 1523 N SER A 100 -10.090 5.442 -4.982 1.00 0.00 N ATOM 1524 CA SER A 100 -10.134 6.545 -5.934 1.00 0.00 C ATOM 1525 C SER A 100 -9.488 7.797 -5.347 1.00 0.00 C ATOM 1526 O SER A 100 -9.860 8.252 -4.265 1.00 0.00 O ATOM 1527 CB SER A 100 -11.580 6.844 -6.335 1.00 0.00 C ATOM 1528 OG SER A 100 -12.406 6.985 -5.193 1.00 0.00 O ATOM 0 H SER A 100 -10.891 5.397 -4.352 1.00 0.00 H new ATOM 0 HA SER A 100 -9.572 6.249 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.615 7.758 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.960 6.040 -6.966 1.00 0.00 H new ATOM 0 HG SER A 100 -11.905 7.435 -4.481 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.519 8.349 -6.069 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.820 9.548 -5.621 1.00 0.00 C ATOM 1536 C LEU A 101 -8.754 10.754 -5.619 1.00 0.00 C ATOM 1537 O LEU A 101 -9.757 10.794 -6.331 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.613 9.824 -6.519 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.402 8.913 -6.316 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.320 9.227 -7.337 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.860 9.054 -4.901 1.00 0.00 C ATOM 0 H LEU A 101 -8.200 7.985 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.475 9.378 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.933 9.743 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.297 10.855 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.720 7.881 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.466 8.569 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.713 9.074 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.004 10.264 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.998 8.398 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.558 10.087 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.634 8.778 -4.186 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.416 11.763 -4.802 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.210 12.990 -4.691 1.00 0.00 C ATOM 1555 C PRO A 102 -9.128 13.850 -5.947 1.00 0.00 C ATOM 1556 O PRO A 102 -8.266 13.638 -6.800 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.575 13.717 -3.503 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.175 13.210 -3.454 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.234 11.784 -3.925 1.00 0.00 C ATOM 0 HA PRO A 102 -10.271 12.778 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.600 14.798 -3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.107 13.501 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.522 13.805 -4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.773 13.271 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.329 11.501 -4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.340 11.090 -3.092 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.063 15.985 3.848 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.441 14.668 3.903 1.00 0.00 C ATOM 1689 C ARG A 110 -1.434 13.581 3.500 1.00 0.00 C ATOM 1690 O ARG A 110 -2.638 13.716 3.715 1.00 0.00 O ATOM 1691 CB ARG A 110 0.093 14.390 5.309 1.00 0.00 C ATOM 1692 CG ARG A 110 1.358 13.548 5.325 1.00 0.00 C ATOM 1693 CD ARG A 110 2.061 13.624 6.671 1.00 0.00 C ATOM 1694 NE ARG A 110 2.760 14.893 6.853 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.737 15.074 7.734 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.129 14.073 8.510 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.325 16.259 7.841 1.00 0.00 N ATOM 0 HA ARG A 110 0.390 14.657 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.292 15.339 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.679 13.882 5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.109 12.511 5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.034 13.889 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.330 13.495 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.773 12.803 6.755 1.00 0.00 H new ATOM 0 HE ARG A 110 2.483 15.684 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.680 13.161 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.880 14.215 9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.027 17.032 7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.075 16.397 8.518 1.00 0.00 H new ATOM 1711 N MET A 111 -0.919 12.505 2.915 1.00 0.00 N ATOM 1712 CA MET A 111 -1.760 11.394 2.483 1.00 0.00 C ATOM 1713 C MET A 111 -1.037 10.063 2.661 1.00 0.00 C ATOM 1714 O MET A 111 0.058 9.867 2.134 1.00 0.00 O ATOM 1715 CB MET A 111 -2.168 11.575 1.020 1.00 0.00 C ATOM 1716 CG MET A 111 -2.960 10.404 0.460 1.00 0.00 C ATOM 1717 SD MET A 111 -3.771 10.796 -1.101 1.00 0.00 S ATOM 1718 CE MET A 111 -2.355 11.149 -2.139 1.00 0.00 C ATOM 0 H MET A 111 0.076 12.378 2.729 1.00 0.00 H new ATOM 0 HA MET A 111 -2.656 11.386 3.104 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.764 12.483 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.272 11.718 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 111 -2.292 9.555 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.711 10.097 1.188 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.355 12.205 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.439 10.913 -1.597 1.00 0.00 H new ATOM 0 HE3 MET A 111 -2.408 10.544 -3.044 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.656 9.153 3.405 1.00 0.00 N ATOM 1729 CA GLU A 112 -1.069 7.841 3.652 1.00 0.00 C ATOM 1730 C GLU A 112 -2.155 6.783 3.825 1.00 0.00 C ATOM 1731 O GLU A 112 -3.338 7.104 3.945 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.180 7.882 4.897 1.00 0.00 C ATOM 1733 CG GLU A 112 1.072 8.726 4.723 1.00 0.00 C ATOM 1734 CD GLU A 112 0.908 10.131 5.269 1.00 0.00 C ATOM 1735 OE1 GLU A 112 -0.169 10.728 5.060 1.00 0.00 O ATOM 1736 OE2 GLU A 112 1.857 10.634 5.905 1.00 0.00 O ATOM 0 H GLU A 112 -2.563 9.299 3.847 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.461 7.575 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.759 8.274 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.111 6.865 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.907 8.239 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.326 8.779 3.664 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.745 5.519 3.835 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.682 4.412 3.991 1.00 0.00 C ATOM 1745 C PHE A 113 -2.020 3.236 4.702 1.00 0.00 C ATOM 1746 O PHE A 113 -0.832 2.974 4.518 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.209 3.966 2.625 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.299 3.003 1.917 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.247 1.672 2.297 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.496 3.430 0.872 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.412 0.783 1.647 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.659 2.546 0.218 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.616 1.221 0.607 1.00 0.00 C ATOM 0 H PHE A 113 -0.770 5.236 3.737 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.517 4.758 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.186 3.501 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.355 4.844 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.866 1.325 3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.524 4.465 0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.382 -0.253 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.039 2.891 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.039 0.529 0.099 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.799 2.530 5.516 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.290 1.381 6.255 1.00 0.00 C ATOM 1765 C ALA A 114 -3.200 0.170 6.079 1.00 0.00 C ATOM 1766 O ALA A 114 -4.398 0.310 5.837 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.144 1.724 7.730 1.00 0.00 C ATOM 0 H ALA A 114 -3.785 2.734 5.680 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.309 1.128 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.763 0.857 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.449 2.556 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.116 2.006 8.136 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.621 -1.021 6.202 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.380 -2.258 6.057 1.00 0.00 C ATOM 1775 C VAL A 115 -3.926 -2.728 7.400 1.00 0.00 C ATOM 1776 O VAL A 115 -3.284 -2.560 8.437 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.516 -3.378 5.446 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.343 -4.638 5.242 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.898 -2.918 4.134 1.00 0.00 C ATOM 0 H VAL A 115 -1.630 -1.155 6.402 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.211 -2.043 5.385 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.708 -3.610 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.717 -5.418 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.734 -4.976 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.172 -4.424 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.291 -3.721 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.689 -2.658 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.270 -2.045 4.314 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.116 -3.318 7.374 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.751 -3.811 8.591 1.00 0.00 C ATOM 1791 C TYR A 116 -6.282 -5.228 8.392 1.00 0.00 C ATOM 1792 O TYR A 116 -7.371 -5.425 7.854 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.891 -2.882 9.009 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.010 -3.587 9.743 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.737 -4.574 10.681 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.339 -3.265 9.497 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.756 -5.222 11.353 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.364 -3.906 10.165 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.068 -4.884 11.092 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.085 -5.526 11.760 1.00 0.00 O ATOM 0 H TYR A 116 -5.660 -3.467 6.524 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.000 -3.831 9.380 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.491 -2.093 9.646 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.298 -2.399 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.711 -4.840 10.889 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.575 -2.501 8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.527 -5.989 12.078 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.392 -3.643 9.963 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.948 -5.170 11.461 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.504 -6.211 8.832 1.00 0.00 N ATOM 1811 CA TYR A 117 -5.893 -7.610 8.702 1.00 0.00 C ATOM 1812 C TYR A 117 -6.487 -8.134 10.006 1.00 0.00 C ATOM 1813 O TYR A 117 -5.856 -8.065 11.059 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.688 -8.461 8.299 1.00 0.00 C ATOM 1815 CG TYR A 117 -4.973 -9.946 8.283 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.127 -10.445 7.691 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.089 -10.850 8.857 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.393 -11.800 7.674 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.345 -12.207 8.844 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.499 -12.678 8.251 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.759 -14.029 8.235 1.00 0.00 O ATOM 0 H TYR A 117 -4.600 -6.065 9.282 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.654 -7.678 7.924 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.352 -8.154 7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.868 -8.264 8.990 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.828 -9.761 7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.185 -10.485 9.322 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.296 -12.170 7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.646 -12.896 9.295 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.001 -14.326 9.137 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.707 -8.657 9.925 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.387 -9.193 11.098 1.00 0.00 C ATOM 1833 C GLU A 118 -8.702 -10.675 10.915 1.00 0.00 C ATOM 1834 O GLU A 118 -9.223 -11.086 9.878 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.677 -8.415 11.366 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.056 -8.354 12.836 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.542 -8.138 13.047 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.332 -8.564 12.178 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -11.916 -7.542 14.079 1.00 0.00 O ATOM 0 H GLU A 118 -8.244 -8.721 9.060 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.721 -9.084 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.565 -7.400 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.492 -8.876 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.755 -9.281 13.324 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.503 -7.547 13.317 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.382 -11.471 11.929 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.629 -12.907 11.881 1.00 0.00 C ATOM 1848 C CYS A 119 -8.315 -13.559 13.224 1.00 0.00 C ATOM 1849 O CYS A 119 -7.416 -13.123 13.941 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.789 -13.554 10.779 1.00 0.00 C ATOM 1851 SG CYS A 119 -6.069 -13.860 11.245 1.00 0.00 S ATOM 0 H CYS A 119 -7.951 -11.146 12.794 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.685 -13.061 11.661 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.250 -14.499 10.493 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -7.807 -12.911 9.899 1.00 0.00 H new ATOM 0 HG CYS A 119 -5.278 -13.307 10.374 1.00 0.00 H new ATOM 1857 N ASN A 120 -9.065 -14.604 13.558 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.868 -15.314 14.817 1.00 0.00 C ATOM 1859 C ASN A 120 -8.881 -14.346 15.996 1.00 0.00 C ATOM 1860 O ASN A 120 -8.070 -14.458 16.914 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.547 -16.085 14.790 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.666 -17.411 14.065 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.692 -18.086 14.146 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.613 -17.791 13.350 1.00 0.00 N ATOM 0 H ASN A 120 -9.814 -14.978 12.975 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.690 -16.019 14.940 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.784 -15.476 14.305 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.212 -16.262 15.812 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.635 -18.674 12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.783 -17.200 13.311 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.808 -13.393 15.963 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.910 -12.419 17.034 1.00 0.00 C ATOM 1873 C GLY A 121 -8.641 -11.607 17.201 1.00 0.00 C ATOM 1874 O GLY A 121 -8.280 -11.233 18.317 1.00 0.00 O ATOM 0 H GLY A 121 -10.490 -13.278 15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.744 -11.747 16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.134 -12.933 17.969 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.962 -11.337 16.091 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.724 -10.567 16.122 1.00 0.00 C ATOM 1880 C GLN A 122 -6.770 -9.424 15.113 1.00 0.00 C ATOM 1881 O GLN A 122 -7.568 -9.440 14.175 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.527 -11.473 15.830 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.330 -12.572 16.862 1.00 0.00 C ATOM 1884 CD GLN A 122 -3.881 -12.999 16.990 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -3.391 -13.815 16.209 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -3.187 -12.449 17.979 1.00 0.00 N ATOM 0 H GLN A 122 -8.248 -11.640 15.160 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.614 -10.143 17.120 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.657 -11.927 14.848 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.624 -10.864 15.783 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.689 -12.224 17.831 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.936 -13.435 16.588 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.633 -11.777 18.603 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.207 -12.699 18.115 1.00 0.00 H new ATOM 1895 N THR A 123 -5.908 -8.431 15.311 1.00 0.00 N ATOM 1896 CA THR A 123 -5.850 -7.280 14.420 1.00 0.00 C ATOM 1897 C THR A 123 -4.408 -6.878 14.133 1.00 0.00 C ATOM 1898 O THR A 123 -3.729 -6.311 14.989 1.00 0.00 O ATOM 1899 CB THR A 123 -6.599 -6.072 15.014 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.939 -6.445 15.354 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.625 -4.913 14.028 1.00 0.00 C ATOM 0 H THR A 123 -5.240 -8.402 16.081 1.00 0.00 H new ATOM 0 HA THR A 123 -6.333 -7.577 13.489 1.00 0.00 H new ATOM 0 HB THR A 123 -6.072 -5.752 15.913 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.408 -5.672 15.732 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.159 -4.072 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.604 -4.612 13.793 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.131 -5.224 13.114 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.945 -7.175 12.924 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.582 -6.846 12.524 1.00 0.00 C ATOM 1911 C TYR A 124 -2.532 -5.492 11.823 1.00 0.00 C ATOM 1912 O TYR A 124 -3.414 -5.156 11.033 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.022 -7.931 11.603 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.179 -9.331 12.152 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.252 -9.858 13.042 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.256 -10.127 11.780 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.391 -11.137 13.545 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.404 -11.407 12.279 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.468 -11.907 13.160 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.611 -13.181 13.660 1.00 0.00 O ATOM 0 H TYR A 124 -4.494 -7.643 12.203 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.970 -6.792 13.424 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.523 -7.870 10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -0.964 -7.735 11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.408 -9.257 13.346 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.990 -9.738 11.089 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.660 -11.531 14.236 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.247 -12.012 11.981 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.883 -13.135 14.600 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.493 -4.719 12.119 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.325 -3.401 11.517 1.00 0.00 C ATOM 1932 C TRP A 125 0.001 -3.308 10.770 1.00 0.00 C ATOM 1933 O TRP A 125 1.069 -3.460 11.363 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.397 -2.314 12.591 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.781 -2.095 13.122 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.244 -2.423 14.365 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.882 -1.501 12.426 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.566 -2.068 14.482 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.981 -1.500 13.307 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.046 -0.968 11.145 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.224 -0.988 12.946 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.281 -0.460 10.787 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.357 -0.473 11.685 1.00 0.00 C ATOM 0 H TRP A 125 -0.755 -4.982 12.772 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.134 -3.250 10.802 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.738 -2.584 13.416 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.022 -1.378 12.176 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.657 -2.892 15.141 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.145 -2.205 15.310 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.222 -0.953 10.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.054 -0.997 13.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.419 -0.046 9.799 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.310 -0.069 11.376 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.075 -3.058 9.468 1.00 0.00 N ATOM 1955 CA ASP A 126 1.120 -2.943 8.640 1.00 0.00 C ATOM 1956 C ASP A 126 1.304 -1.512 8.146 1.00 0.00 C ATOM 1957 O ASP A 126 0.680 -1.097 7.169 1.00 0.00 O ATOM 1958 CB ASP A 126 1.037 -3.900 7.450 1.00 0.00 C ATOM 1959 CG ASP A 126 2.206 -3.744 6.498 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.970 -2.769 6.653 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.356 -4.596 5.597 1.00 0.00 O ATOM 0 H ASP A 126 -0.952 -2.931 8.963 1.00 0.00 H new ATOM 0 HA ASP A 126 1.982 -3.210 9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.004 -4.927 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.107 -3.724 6.910 1.00 0.00 H new ATOM 1966 N SER A 127 2.164 -0.761 8.827 1.00 0.00 N ATOM 1967 CA SER A 127 2.425 0.626 8.460 1.00 0.00 C ATOM 1968 C SER A 127 3.604 0.719 7.495 1.00 0.00 C ATOM 1969 O SER A 127 4.757 0.809 7.914 1.00 0.00 O ATOM 1970 CB SER A 127 2.708 1.462 9.710 1.00 0.00 C ATOM 1971 OG SER A 127 3.936 1.086 10.308 1.00 0.00 O ATOM 0 H SER A 127 2.692 -1.090 9.636 1.00 0.00 H new ATOM 0 HA SER A 127 1.538 1.018 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.737 2.519 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.897 1.335 10.427 1.00 0.00 H new ATOM 0 HG SER A 127 4.653 1.138 9.642 1.00 0.00 H new ATOM 1977 N ASN A 128 3.303 0.696 6.200 1.00 0.00 N ATOM 1978 CA ASN A 128 4.337 0.778 5.175 1.00 0.00 C ATOM 1979 C ASN A 128 5.615 0.082 5.634 1.00 0.00 C ATOM 1980 O ASN A 128 6.717 0.598 5.444 1.00 0.00 O ATOM 1981 CB ASN A 128 4.633 2.240 4.834 1.00 0.00 C ATOM 1982 CG ASN A 128 5.814 2.387 3.895 1.00 0.00 C ATOM 1983 OD1 ASN A 128 6.145 1.467 3.147 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.457 3.548 3.930 1.00 0.00 N ATOM 0 H ASN A 128 2.353 0.621 5.836 1.00 0.00 H new ATOM 0 HA ASN A 128 3.969 0.272 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.751 2.689 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.832 2.791 5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.260 3.705 3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.148 4.283 4.566 1.00 0.00 H new ATOM 1991 N ARG A 129 5.459 -1.092 6.237 1.00 0.00 N ATOM 1992 CA ARG A 129 6.600 -1.858 6.724 1.00 0.00 C ATOM 1993 C ARG A 129 7.725 -0.931 7.175 1.00 0.00 C ATOM 1994 O ARG A 129 8.888 -1.135 6.830 1.00 0.00 O ATOM 1995 CB ARG A 129 7.110 -2.802 5.634 1.00 0.00 C ATOM 1996 CG ARG A 129 6.205 -4.000 5.394 1.00 0.00 C ATOM 1997 CD ARG A 129 6.429 -5.085 6.436 1.00 0.00 C ATOM 1998 NE ARG A 129 5.266 -5.956 6.577 1.00 0.00 N ATOM 1999 CZ ARG A 129 4.224 -5.671 7.351 1.00 0.00 C ATOM 2000 NH1 ARG A 129 4.201 -4.544 8.049 1.00 0.00 N ATOM 2001 NH2 ARG A 129 3.203 -6.515 7.428 1.00 0.00 N ATOM 0 H ARG A 129 4.554 -1.533 6.400 1.00 0.00 H new ATOM 0 HA ARG A 129 6.271 -2.446 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 129 7.216 -2.245 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.104 -3.157 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.163 -3.681 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.392 -4.405 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.297 -5.682 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.655 -4.623 7.397 1.00 0.00 H new ATOM 0 HE ARG A 129 5.252 -6.831 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.984 -3.893 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.400 -4.328 8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.218 -7.383 6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.404 -6.296 8.022 1.00 0.00 H new ATOM 2015 N GLY A 130 7.369 0.090 7.949 1.00 0.00 N ATOM 2016 CA GLY A 130 8.359 1.034 8.435 1.00 0.00 C ATOM 2017 C GLY A 130 7.734 2.204 9.168 1.00 0.00 C ATOM 2018 O GLY A 130 7.709 2.235 10.398 1.00 0.00 O ATOM 0 H GLY A 130 6.413 0.280 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.051 0.519 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.944 1.407 7.594 1.00 0.00 H new ATOM 2022 N LYS A 131 7.229 3.173 8.411 1.00 0.00 N ATOM 2023 CA LYS A 131 6.601 4.352 8.995 1.00 0.00 C ATOM 2024 C LYS A 131 5.188 4.541 8.453 1.00 0.00 C ATOM 2025 O LYS A 131 4.211 4.439 9.194 1.00 0.00 O ATOM 2026 CB LYS A 131 7.441 5.599 8.704 1.00 0.00 C ATOM 2027 CG LYS A 131 8.888 5.474 9.148 1.00 0.00 C ATOM 2028 CD LYS A 131 9.077 5.958 10.576 1.00 0.00 C ATOM 2029 CE LYS A 131 10.527 6.323 10.853 1.00 0.00 C ATOM 2030 NZ LYS A 131 11.382 5.115 11.018 1.00 0.00 N ATOM 0 H LYS A 131 7.243 3.164 7.391 1.00 0.00 H new ATOM 0 HA LYS A 131 6.541 4.204 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.414 5.803 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.989 6.456 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.205 4.434 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.526 6.052 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.442 6.826 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.757 5.181 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.911 6.931 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.582 6.933 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.363 5.407 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.031 4.548 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.350 4.546 10.148 1.00 0.00 H new ATOM 2044 N ASN A 132 5.088 4.815 7.156 1.00 0.00 N ATOM 2045 CA ASN A 132 3.793 5.016 6.516 1.00 0.00 C ATOM 2046 C ASN A 132 3.955 5.204 5.010 1.00 0.00 C ATOM 2047 O ASN A 132 4.962 5.737 4.545 1.00 0.00 O ATOM 2048 CB ASN A 132 3.086 6.231 7.119 1.00 0.00 C ATOM 2049 CG ASN A 132 4.053 7.338 7.492 1.00 0.00 C ATOM 2050 OD1 ASN A 132 5.147 7.078 7.994 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.654 8.580 7.247 1.00 0.00 N ATOM 0 H ASN A 132 5.887 4.903 6.528 1.00 0.00 H new ATOM 0 HA ASN A 132 3.187 4.127 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.357 6.615 6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.532 5.922 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 132 4.263 9.366 7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.739 8.749 6.830 1.00 0.00 H new ATOM 2058 N TYR A 133 2.955 4.763 4.254 1.00 0.00 N ATOM 2059 CA TYR A 133 2.987 4.881 2.801 1.00 0.00 C ATOM 2060 C TYR A 133 2.726 6.319 2.365 1.00 0.00 C ATOM 2061 O TYR A 133 1.578 6.740 2.229 1.00 0.00 O ATOM 2062 CB TYR A 133 1.950 3.949 2.171 1.00 0.00 C ATOM 2063 CG TYR A 133 2.398 2.507 2.095 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.503 2.142 1.336 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.716 1.510 2.781 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.916 0.825 1.264 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.122 0.192 2.715 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.222 -0.146 1.955 1.00 0.00 C ATOM 2069 OH TYR A 133 3.629 -1.459 1.886 1.00 0.00 O ATOM 0 H TYR A 133 2.113 4.321 4.623 1.00 0.00 H new ATOM 0 HA TYR A 133 3.981 4.592 2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.027 4.004 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.719 4.302 1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.048 2.900 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.853 1.770 3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.777 0.558 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.581 -0.570 3.256 1.00 0.00 H new ATOM 0 HH TYR A 133 3.034 -2.015 2.431 1.00 0.00 H new ATOM 2079 N ARG A 134 3.802 7.068 2.147 1.00 0.00 N ATOM 2080 CA ARG A 134 3.692 8.460 1.727 1.00 0.00 C ATOM 2081 C ARG A 134 3.497 8.558 0.217 1.00 0.00 C ATOM 2082 O ARG A 134 4.456 8.465 -0.550 1.00 0.00 O ATOM 2083 CB ARG A 134 4.940 9.241 2.142 1.00 0.00 C ATOM 2084 CG ARG A 134 4.901 10.708 1.747 1.00 0.00 C ATOM 2085 CD ARG A 134 6.271 11.355 1.870 1.00 0.00 C ATOM 2086 NE ARG A 134 6.177 12.781 2.173 1.00 0.00 N ATOM 2087 CZ ARG A 134 7.189 13.499 2.648 1.00 0.00 C ATOM 2088 NH1 ARG A 134 8.364 12.928 2.873 1.00 0.00 N ATOM 2089 NH2 ARG A 134 7.026 14.792 2.898 1.00 0.00 N ATOM 0 H ARG A 134 4.760 6.734 2.254 1.00 0.00 H new ATOM 0 HA ARG A 134 2.821 8.893 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.061 9.168 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.816 8.775 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.545 10.800 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.189 11.238 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 134 6.839 10.854 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 134 6.822 11.218 0.940 1.00 0.00 H new ATOM 0 HE ARG A 134 5.286 13.251 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 134 8.493 11.935 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.139 13.482 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 134 6.124 15.235 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 134 7.803 15.343 3.263 1.00 0.00 H new ATOM 2103 N ILE A 135 2.250 8.746 -0.202 1.00 0.00 N ATOM 2104 CA ILE A 135 1.930 8.857 -1.620 1.00 0.00 C ATOM 2105 C ILE A 135 2.191 10.269 -2.133 1.00 0.00 C ATOM 2106 O ILE A 135 1.452 11.202 -1.817 1.00 0.00 O ATOM 2107 CB ILE A 135 0.461 8.486 -1.896 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.185 7.046 -1.458 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.137 8.668 -3.371 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -1.287 6.705 -1.396 1.00 0.00 C ATOM 0 H ILE A 135 1.445 8.825 0.420 1.00 0.00 H new ATOM 0 HA ILE A 135 2.578 8.156 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.181 9.151 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.679 6.363 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.629 6.882 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.905 8.402 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.300 9.708 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.784 8.025 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.407 5.669 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.783 7.363 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.733 6.837 -2.382 1.00 0.00 H new ATOM 2122 N ILE A 136 3.245 10.419 -2.928 1.00 0.00 N ATOM 2123 CA ILE A 136 3.601 11.716 -3.488 1.00 0.00 C ATOM 2124 C ILE A 136 3.309 11.769 -4.983 1.00 0.00 C ATOM 2125 O ILE A 136 3.048 10.743 -5.612 1.00 0.00 O ATOM 2126 CB ILE A 136 5.089 12.040 -3.256 1.00 0.00 C ATOM 2127 CG1 ILE A 136 5.974 11.054 -4.021 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.413 12.007 -1.770 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.392 11.542 -4.218 1.00 0.00 C ATOM 0 H ILE A 136 3.867 9.658 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 136 2.991 12.459 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 136 5.289 13.044 -3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 136 5.996 10.106 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.527 10.858 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.468 12.238 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 136 4.804 12.745 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.200 11.014 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 136 7.962 10.793 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.381 12.475 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 136 7.857 11.711 -3.247 1.00 0.00 H new ATOM 2141 N ARG A 137 3.355 12.971 -5.548 1.00 0.00 N ATOM 2142 CA ARG A 137 3.095 13.158 -6.970 1.00 0.00 C ATOM 2143 C ARG A 137 4.283 12.691 -7.806 1.00 0.00 C ATOM 2144 O ARG A 137 5.312 12.284 -7.267 1.00 0.00 O ATOM 2145 CB ARG A 137 2.796 14.629 -7.267 1.00 0.00 C ATOM 2146 CG ARG A 137 1.854 14.834 -8.442 1.00 0.00 C ATOM 2147 CD ARG A 137 0.978 16.061 -8.246 1.00 0.00 C ATOM 2148 NE ARG A 137 1.744 17.301 -8.334 1.00 0.00 N ATOM 2149 CZ ARG A 137 1.212 18.473 -8.661 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.084 18.564 -8.929 1.00 0.00 N ATOM 2151 NH2 ARG A 137 1.975 19.557 -8.720 1.00 0.00 N ATOM 0 H ARG A 137 3.570 13.830 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 137 2.226 12.557 -7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.362 15.089 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.733 15.148 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.433 14.942 -9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.225 13.952 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.190 16.068 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.489 16.005 -7.273 1.00 0.00 H new ATOM 0 HE ARG A 137 2.743 17.265 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.674 17.733 -8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.491 19.465 -9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.972 19.491 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.565 20.456 -8.971 1.00 0.00 H new ATOM 2165 N ALA A 138 4.132 12.751 -9.125 1.00 0.00 N ATOM 2166 CA ALA A 138 5.193 12.336 -10.035 1.00 0.00 C ATOM 2167 C ALA A 138 6.109 13.505 -10.380 1.00 0.00 C ATOM 2168 O ALA A 138 7.277 13.311 -10.715 1.00 0.00 O ATOM 2169 CB ALA A 138 4.598 11.738 -11.301 1.00 0.00 C ATOM 0 H ALA A 138 3.286 13.083 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 138 5.791 11.576 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.401 11.432 -11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.991 10.870 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.975 12.482 -11.797 1.00 0.00 H new ATOM 2175 N GLU A 139 5.571 14.718 -10.296 1.00 0.00 N ATOM 2176 CA GLU A 139 6.342 15.917 -10.602 1.00 0.00 C ATOM 2177 C GLU A 139 7.405 16.167 -9.536 1.00 0.00 C ATOM 2178 O GLU A 139 8.571 16.411 -9.851 1.00 0.00 O ATOM 2179 CB GLU A 139 5.417 17.131 -10.709 1.00 0.00 C ATOM 2180 CG GLU A 139 4.567 17.360 -9.470 1.00 0.00 C ATOM 2181 CD GLU A 139 5.236 18.280 -8.467 1.00 0.00 C ATOM 2182 OE1 GLU A 139 6.437 18.574 -8.639 1.00 0.00 O ATOM 2183 OE2 GLU A 139 4.557 18.706 -7.509 1.00 0.00 O ATOM 0 H GLU A 139 4.606 14.896 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 139 6.841 15.763 -11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.019 18.020 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.762 17.003 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.608 17.786 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.357 16.402 -8.995 1.00 0.00 H new