USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 788 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 69 SER OG : rot 180:sc= -0.0404 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -8.05! C(o=-8.1!,f=-5.6!) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.00203 K(o=-0.96,f=-1.6) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.966 K(o=-0.96,f=-2.4!) USER MOD Set 3.1: A 18 THR OG1 : rot 150:sc= -0.661 USER MOD Set 3.2: A 25 GLN : amide:sc= -3.77! K(o=-4.4!,f=-1.8) USER MOD Set 4.1: A 13 TYR OH : rot 150:sc= 0.735 USER MOD Set 4.2: A 43 ASN : amide:sc= -1.62 K(o=-0.89,f=-2.3!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -161:sc= 0 (180deg=-0.492) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0436 (180deg=-0.277) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 19 ASN : amide:sc= -1.43 K(o=-1.4,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 32 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -170:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -4.73! C(o=-4.7!,f=-6.1!) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -1.18 (180deg=-2.66!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 71 THR OG1 : rot -59:sc= -0.77! USER MOD Single : A 73 THR OG1 : rot -63:sc= 0.277 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 102 CYS SG : rot 180:sc= 0.228 USER MOD Single : A 103 THR OG1 : rot 35:sc= 0.878 USER MOD Single : A 104 GLN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 105 HIS : no HD1:sc=-0.00276 X(o=-0.0028,f=-0.093) USER MOD Single : A 106 HIS : no HD1:sc= -2.08 X(o=-2.1,f=-1.7) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.288 0.361 12.579 1.00 0.00 N ATOM 82 CA ASN A 9 -0.420 -0.428 11.712 1.00 0.00 C ATOM 83 C ASN A 9 -0.950 -1.851 11.561 1.00 0.00 C ATOM 84 O ASN A 9 -1.502 -2.422 12.502 1.00 0.00 O ATOM 85 CB ASN A 9 1.003 -0.459 12.273 1.00 0.00 C ATOM 86 CG ASN A 9 1.697 0.885 12.164 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.893 1.408 11.067 1.00 0.00 O ATOM 88 ND2 ASN A 9 2.073 1.451 13.305 1.00 0.00 N ATOM 0 HA ASN A 9 -0.406 0.042 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.972 -0.765 13.319 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.585 -1.210 11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.545 2.355 13.295 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.890 0.981 14.192 1.00 0.00 H new ATOM 95 N VAL A 10 -0.778 -2.417 10.371 1.00 0.00 N ATOM 96 CA VAL A 10 -1.237 -3.773 10.097 1.00 0.00 C ATOM 97 C VAL A 10 -0.060 -4.723 9.904 1.00 0.00 C ATOM 98 O VAL A 10 0.797 -4.501 9.049 1.00 0.00 O ATOM 99 CB VAL A 10 -2.131 -3.820 8.843 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.734 -5.206 8.669 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.221 -2.763 8.927 1.00 0.00 C ATOM 0 H VAL A 10 -0.324 -1.958 9.581 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.819 -4.091 10.962 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.515 -3.606 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.362 -5.220 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.935 -5.939 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.337 -5.453 9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.843 -2.810 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.837 -2.945 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.765 -1.776 9.000 1.00 0.00 H new ATOM 111 N TYR A 11 -0.026 -5.783 10.703 1.00 0.00 N ATOM 112 CA TYR A 11 1.047 -6.767 10.622 1.00 0.00 C ATOM 113 C TYR A 11 0.489 -8.187 10.668 1.00 0.00 C ATOM 114 O TYR A 11 -0.683 -8.396 10.978 1.00 0.00 O ATOM 115 CB TYR A 11 2.043 -6.562 11.765 1.00 0.00 C ATOM 116 CG TYR A 11 1.416 -6.003 13.022 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.227 -6.522 13.519 1.00 0.00 C ATOM 118 CD2 TYR A 11 2.012 -4.954 13.712 1.00 0.00 C ATOM 119 CE1 TYR A 11 -0.350 -6.014 14.666 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.442 -4.441 14.861 1.00 0.00 C ATOM 121 CZ TYR A 11 0.262 -4.974 15.334 1.00 0.00 C ATOM 122 OH TYR A 11 -0.309 -4.464 16.478 1.00 0.00 O ATOM 0 H TYR A 11 -0.729 -5.983 11.414 1.00 0.00 H new ATOM 0 HA TYR A 11 1.561 -6.628 9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.516 -7.516 11.998 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.832 -5.888 11.432 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.254 -7.337 12.999 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.936 -4.533 13.344 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.275 -6.429 15.038 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.918 -3.626 15.386 1.00 0.00 H new ATOM 0 HH TYR A 11 0.248 -3.737 16.826 1.00 0.00 H new ATOM 132 N GLY A 12 1.340 -9.160 10.357 1.00 0.00 N ATOM 133 CA GLY A 12 0.916 -10.548 10.369 1.00 0.00 C ATOM 134 C GLY A 12 1.919 -11.467 9.700 1.00 0.00 C ATOM 135 O GLY A 12 2.563 -11.087 8.722 1.00 0.00 O ATOM 0 H GLY A 12 2.315 -9.012 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.765 -10.869 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.046 -10.635 9.863 1.00 0.00 H new ATOM 139 N TYR A 13 2.053 -12.678 10.228 1.00 0.00 N ATOM 140 CA TYR A 13 2.988 -13.652 9.678 1.00 0.00 C ATOM 141 C TYR A 13 2.425 -14.294 8.414 1.00 0.00 C ATOM 142 O TYR A 13 1.503 -15.108 8.474 1.00 0.00 O ATOM 143 CB TYR A 13 3.301 -14.732 10.716 1.00 0.00 C ATOM 144 CG TYR A 13 4.342 -14.315 11.729 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.064 -13.338 12.678 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.604 -14.896 11.738 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.013 -12.953 13.605 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.558 -14.518 12.662 1.00 0.00 C ATOM 149 CZ TYR A 13 6.258 -13.546 13.594 1.00 0.00 C ATOM 150 OH TYR A 13 7.207 -13.166 14.515 1.00 0.00 O ATOM 0 H TYR A 13 1.526 -13.009 11.036 1.00 0.00 H new ATOM 0 HA TYR A 13 3.908 -13.128 9.419 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.383 -14.998 11.240 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.646 -15.629 10.202 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.090 -12.872 12.691 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.843 -15.657 11.010 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.781 -12.191 14.335 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.534 -14.981 12.655 1.00 0.00 H new ATOM 0 HH TYR A 13 7.797 -13.924 14.709 1.00 0.00 H new ATOM 160 N LEU A 14 2.988 -13.922 7.269 1.00 0.00 N ATOM 161 CA LEU A 14 2.544 -14.461 5.988 1.00 0.00 C ATOM 162 C LEU A 14 3.610 -15.366 5.380 1.00 0.00 C ATOM 163 O LEU A 14 4.742 -15.418 5.859 1.00 0.00 O ATOM 164 CB LEU A 14 2.213 -13.323 5.021 1.00 0.00 C ATOM 165 CG LEU A 14 1.249 -12.257 5.544 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.411 -10.962 4.763 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.187 -12.752 5.466 1.00 0.00 C ATOM 0 H LEU A 14 3.752 -13.250 7.202 1.00 0.00 H new ATOM 0 HA LEU A 14 1.646 -15.054 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.144 -12.834 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.789 -13.755 4.115 1.00 0.00 H new ATOM 0 HG LEU A 14 1.488 -12.060 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.717 -10.215 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.433 -10.598 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.199 -11.144 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.859 -11.980 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.438 -12.978 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.295 -13.653 6.070 1.00 0.00 H new ATOM 179 N MET A 15 3.241 -16.077 4.319 1.00 0.00 N ATOM 180 CA MET A 15 4.167 -16.978 3.643 1.00 0.00 C ATOM 181 C MET A 15 4.617 -16.394 2.308 1.00 0.00 C ATOM 182 O MET A 15 3.798 -16.128 1.428 1.00 0.00 O ATOM 183 CB MET A 15 3.513 -18.343 3.421 1.00 0.00 C ATOM 184 CG MET A 15 3.238 -19.102 4.709 1.00 0.00 C ATOM 185 SD MET A 15 3.185 -20.888 4.466 1.00 0.00 S ATOM 186 CE MET A 15 4.714 -21.383 5.256 1.00 0.00 C ATOM 0 H MET A 15 2.307 -16.046 3.909 1.00 0.00 H new ATOM 0 HA MET A 15 5.043 -17.102 4.279 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.575 -18.204 2.883 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.159 -18.947 2.784 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.010 -18.862 5.440 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.288 -18.768 5.127 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.997 -22.377 4.910 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.501 -20.673 5.003 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.576 -21.401 6.337 1.00 0.00 H new ATOM 196 N LYS A 16 5.923 -16.195 2.164 1.00 0.00 N ATOM 197 CA LYS A 16 6.482 -15.643 0.936 1.00 0.00 C ATOM 198 C LYS A 16 7.047 -16.749 0.051 1.00 0.00 C ATOM 199 O LYS A 16 7.495 -17.785 0.543 1.00 0.00 O ATOM 200 CB LYS A 16 7.579 -14.627 1.263 1.00 0.00 C ATOM 201 CG LYS A 16 7.716 -13.526 0.226 1.00 0.00 C ATOM 202 CD LYS A 16 8.783 -12.518 0.621 1.00 0.00 C ATOM 203 CE LYS A 16 9.268 -11.720 -0.580 1.00 0.00 C ATOM 204 NZ LYS A 16 10.060 -12.560 -1.520 1.00 0.00 N ATOM 0 H LYS A 16 6.614 -16.408 2.883 1.00 0.00 H new ATOM 0 HA LYS A 16 5.680 -15.142 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.368 -14.177 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.531 -15.150 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.968 -13.964 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.760 -13.017 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.382 -11.838 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.625 -13.038 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.412 -11.297 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.878 -10.884 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.645 -11.948 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.674 -13.202 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.415 -13.118 -2.115 1.00 0.00 H new ATOM 218 N TYR A 17 7.025 -16.521 -1.258 1.00 0.00 N ATOM 219 CA TYR A 17 7.535 -17.499 -2.212 1.00 0.00 C ATOM 220 C TYR A 17 8.953 -17.146 -2.649 1.00 0.00 C ATOM 221 O TYR A 17 9.219 -16.030 -3.096 1.00 0.00 O ATOM 222 CB TYR A 17 6.617 -17.576 -3.434 1.00 0.00 C ATOM 223 CG TYR A 17 6.946 -18.719 -4.367 1.00 0.00 C ATOM 224 CD1 TYR A 17 7.866 -18.559 -5.397 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.338 -19.960 -4.219 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.169 -19.601 -6.252 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.636 -21.008 -5.068 1.00 0.00 C ATOM 228 CZ TYR A 17 7.552 -20.823 -6.084 1.00 0.00 C ATOM 229 OH TYR A 17 7.852 -21.864 -6.933 1.00 0.00 O ATOM 0 H TYR A 17 6.660 -15.668 -1.682 1.00 0.00 H new ATOM 0 HA TYR A 17 7.558 -18.471 -1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.585 -17.678 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.681 -16.638 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.352 -17.604 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.620 -20.108 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.885 -19.459 -7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.155 -21.966 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 17 7.332 -22.655 -6.678 1.00 0.00 H new ATOM 239 N THR A 18 9.862 -18.107 -2.516 1.00 0.00 N ATOM 240 CA THR A 18 11.254 -17.900 -2.895 1.00 0.00 C ATOM 241 C THR A 18 11.575 -18.599 -4.212 1.00 0.00 C ATOM 242 O THR A 18 11.891 -17.950 -5.208 1.00 0.00 O ATOM 243 CB THR A 18 12.216 -18.414 -1.807 1.00 0.00 C ATOM 244 OG1 THR A 18 12.067 -19.830 -1.651 1.00 0.00 O ATOM 245 CG2 THR A 18 11.949 -17.722 -0.479 1.00 0.00 C ATOM 0 H THR A 18 9.659 -19.037 -2.149 1.00 0.00 H new ATOM 0 HA THR A 18 11.392 -16.825 -3.013 1.00 0.00 H new ATOM 0 HB THR A 18 13.236 -18.188 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.921 -20.220 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.640 -18.101 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.091 -16.647 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.925 -17.921 -0.164 1.00 0.00 H new ATOM 253 N ASN A 19 11.491 -19.925 -4.208 1.00 0.00 N ATOM 254 CA ASN A 19 11.773 -20.712 -5.403 1.00 0.00 C ATOM 255 C ASN A 19 10.880 -21.948 -5.464 1.00 0.00 C ATOM 256 O ASN A 19 10.048 -22.170 -4.583 1.00 0.00 O ATOM 257 CB ASN A 19 13.244 -21.131 -5.428 1.00 0.00 C ATOM 258 CG ASN A 19 13.730 -21.452 -6.829 1.00 0.00 C ATOM 259 OD1 ASN A 19 13.423 -20.737 -7.783 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.493 -22.531 -6.957 1.00 0.00 N ATOM 0 H ASN A 19 11.230 -20.477 -3.391 1.00 0.00 H new ATOM 0 HA ASN A 19 11.564 -20.091 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.854 -20.331 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.381 -22.004 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.850 -22.797 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.722 -23.094 -6.138 1.00 0.00 H new ATOM 267 N LEU A 20 11.058 -22.748 -6.509 1.00 0.00 N ATOM 268 CA LEU A 20 10.269 -23.963 -6.685 1.00 0.00 C ATOM 269 C LEU A 20 10.574 -24.975 -5.586 1.00 0.00 C ATOM 270 O LEU A 20 9.780 -25.166 -4.665 1.00 0.00 O ATOM 271 CB LEU A 20 10.548 -24.581 -8.056 1.00 0.00 C ATOM 272 CG LEU A 20 9.916 -23.872 -9.254 1.00 0.00 C ATOM 273 CD1 LEU A 20 10.863 -22.821 -9.812 1.00 0.00 C ATOM 274 CD2 LEU A 20 9.538 -24.878 -10.331 1.00 0.00 C ATOM 0 H LEU A 20 11.741 -22.578 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 20 9.215 -23.694 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.627 -24.611 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.198 -25.613 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 20 9.008 -23.372 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.397 -22.327 -10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.083 -22.083 -9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.789 -23.299 -10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.090 -24.355 -11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.431 -25.407 -10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.822 -25.593 -9.926 1.00 0.00 H new ATOM 286 N VAL A 21 11.732 -25.620 -5.688 1.00 0.00 N ATOM 287 CA VAL A 21 12.145 -26.611 -4.701 1.00 0.00 C ATOM 288 C VAL A 21 11.820 -26.145 -3.286 1.00 0.00 C ATOM 289 O VAL A 21 11.254 -26.892 -2.488 1.00 0.00 O ATOM 290 CB VAL A 21 13.653 -26.906 -4.799 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.464 -25.677 -4.420 1.00 0.00 C ATOM 292 CG2 VAL A 21 14.022 -28.091 -3.919 1.00 0.00 C ATOM 0 H VAL A 21 12.401 -25.474 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 21 11.589 -27.524 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 21 13.889 -27.162 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.527 -25.905 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.220 -24.857 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.227 -25.386 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.091 -28.286 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.772 -27.866 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.467 -28.972 -4.243 1.00 0.00 H new ATOM 302 N THR A 22 12.184 -24.903 -2.980 1.00 0.00 N ATOM 303 CA THR A 22 11.932 -24.337 -1.661 1.00 0.00 C ATOM 304 C THR A 22 10.440 -24.125 -1.428 1.00 0.00 C ATOM 305 O THR A 22 9.956 -24.235 -0.303 1.00 0.00 O ATOM 306 CB THR A 22 12.664 -22.994 -1.477 1.00 0.00 C ATOM 307 OG1 THR A 22 13.879 -22.990 -2.236 1.00 0.00 O ATOM 308 CG2 THR A 22 12.976 -22.744 -0.010 1.00 0.00 C ATOM 0 H THR A 22 12.654 -24.271 -3.628 1.00 0.00 H new ATOM 0 HA THR A 22 12.312 -25.053 -0.933 1.00 0.00 H new ATOM 0 HB THR A 22 12.011 -22.198 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.337 -22.132 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.493 -21.790 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.047 -22.718 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.612 -23.544 0.368 1.00 0.00 H new ATOM 316 N GLY A 23 9.716 -23.821 -2.501 1.00 0.00 N ATOM 317 CA GLY A 23 8.286 -23.600 -2.393 1.00 0.00 C ATOM 318 C GLY A 23 7.952 -22.321 -1.650 1.00 0.00 C ATOM 319 O GLY A 23 7.999 -21.232 -2.223 1.00 0.00 O ATOM 0 H GLY A 23 10.095 -23.724 -3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.851 -23.561 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.828 -24.445 -1.879 1.00 0.00 H new ATOM 323 N TRP A 24 7.614 -22.452 -0.373 1.00 0.00 N ATOM 324 CA TRP A 24 7.269 -21.297 0.449 1.00 0.00 C ATOM 325 C TRP A 24 8.144 -21.235 1.695 1.00 0.00 C ATOM 326 O TRP A 24 8.762 -22.227 2.080 1.00 0.00 O ATOM 327 CB TRP A 24 5.794 -21.352 0.848 1.00 0.00 C ATOM 328 CG TRP A 24 4.859 -21.296 -0.322 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.690 -22.251 -1.283 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.965 -20.227 -0.654 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.746 -21.841 -2.193 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.286 -20.603 -1.829 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.672 -18.991 -0.073 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.333 -19.786 -2.432 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.727 -18.181 -0.672 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.066 -18.581 -1.841 1.00 0.00 C ATOM 0 H TRP A 24 7.571 -23.346 0.116 1.00 0.00 H new ATOM 0 HA TRP A 24 7.445 -20.397 -0.140 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.610 -22.270 1.407 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.575 -20.521 1.519 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.221 -23.191 -1.322 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.438 -22.372 -3.007 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.175 -18.674 0.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.823 -20.092 -3.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.494 -17.223 -0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.331 -17.925 -2.284 1.00 0.00 H new ATOM 347 N GLN A 25 8.192 -20.064 2.322 1.00 0.00 N ATOM 348 CA GLN A 25 8.993 -19.874 3.526 1.00 0.00 C ATOM 349 C GLN A 25 8.329 -18.877 4.470 1.00 0.00 C ATOM 350 O GLN A 25 8.170 -17.703 4.137 1.00 0.00 O ATOM 351 CB GLN A 25 10.397 -19.389 3.158 1.00 0.00 C ATOM 352 CG GLN A 25 11.233 -20.436 2.439 1.00 0.00 C ATOM 353 CD GLN A 25 12.723 -20.210 2.609 1.00 0.00 C ATOM 354 OE1 GLN A 25 13.278 -20.434 3.685 1.00 0.00 O ATOM 355 NE2 GLN A 25 13.379 -19.763 1.544 1.00 0.00 N ATOM 0 H GLN A 25 7.686 -19.233 2.016 1.00 0.00 H new ATOM 0 HA GLN A 25 9.070 -20.834 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.313 -18.506 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.916 -19.082 4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.974 -21.425 2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.987 -20.426 1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.879 -19.591 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.383 -19.592 1.598 1.00 0.00 H new ATOM 364 N TYR A 26 7.943 -19.354 5.648 1.00 0.00 N ATOM 365 CA TYR A 26 7.294 -18.505 6.640 1.00 0.00 C ATOM 366 C TYR A 26 8.101 -17.233 6.881 1.00 0.00 C ATOM 367 O TYR A 26 9.330 -17.266 6.939 1.00 0.00 O ATOM 368 CB TYR A 26 7.115 -19.266 7.955 1.00 0.00 C ATOM 369 CG TYR A 26 5.905 -18.828 8.748 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.621 -18.998 8.244 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.045 -18.244 10.001 1.00 0.00 C ATOM 372 CE1 TYR A 26 3.512 -18.599 8.965 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.941 -17.844 10.730 1.00 0.00 C ATOM 374 CZ TYR A 26 3.677 -18.023 10.207 1.00 0.00 C ATOM 375 OH TYR A 26 2.576 -17.624 10.929 1.00 0.00 O ATOM 0 H TYR A 26 8.068 -20.323 5.939 1.00 0.00 H new ATOM 0 HA TYR A 26 6.314 -18.224 6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.032 -20.331 7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.007 -19.133 8.567 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.488 -19.450 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.033 -18.100 10.412 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.521 -18.737 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.067 -17.394 11.704 1.00 0.00 H new ATOM 0 HH TYR A 26 2.866 -17.239 11.782 1.00 0.00 H new ATOM 385 N ARG A 27 7.400 -16.113 7.021 1.00 0.00 N ATOM 386 CA ARG A 27 8.049 -14.829 7.256 1.00 0.00 C ATOM 387 C ARG A 27 7.070 -13.825 7.857 1.00 0.00 C ATOM 388 O ARG A 27 5.869 -13.875 7.586 1.00 0.00 O ATOM 389 CB ARG A 27 8.623 -14.278 5.949 1.00 0.00 C ATOM 390 CG ARG A 27 9.752 -13.280 6.152 1.00 0.00 C ATOM 391 CD ARG A 27 11.080 -13.983 6.389 1.00 0.00 C ATOM 392 NE ARG A 27 11.457 -14.834 5.264 1.00 0.00 N ATOM 393 CZ ARG A 27 12.372 -15.795 5.344 1.00 0.00 C ATOM 394 NH1 ARG A 27 12.998 -16.025 6.489 1.00 0.00 N ATOM 395 NH2 ARG A 27 12.660 -16.528 4.276 1.00 0.00 N ATOM 0 H ARG A 27 6.382 -16.069 6.976 1.00 0.00 H new ATOM 0 HA ARG A 27 8.862 -14.986 7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.988 -15.108 5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.823 -13.799 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.831 -12.635 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.523 -12.637 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.859 -13.239 6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.014 -14.587 7.294 1.00 0.00 H new ATOM 0 HE ARG A 27 10.993 -14.683 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.778 -15.464 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.700 -16.763 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.179 -16.354 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.362 -17.265 4.338 1.00 0.00 H new ATOM 409 N PHE A 28 7.590 -12.915 8.674 1.00 0.00 N ATOM 410 CA PHE A 28 6.761 -11.901 9.314 1.00 0.00 C ATOM 411 C PHE A 28 6.738 -10.617 8.490 1.00 0.00 C ATOM 412 O PHE A 28 7.752 -10.214 7.919 1.00 0.00 O ATOM 413 CB PHE A 28 7.277 -11.606 10.724 1.00 0.00 C ATOM 414 CG PHE A 28 6.467 -10.574 11.456 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.086 -10.673 11.515 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.086 -9.506 12.085 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.338 -9.724 12.187 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.343 -8.555 12.759 1.00 0.00 C ATOM 419 CZ PHE A 28 4.968 -8.665 12.810 1.00 0.00 C ATOM 0 H PHE A 28 8.581 -12.859 8.908 1.00 0.00 H new ATOM 0 HA PHE A 28 5.744 -12.288 9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.280 -12.530 11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.311 -11.266 10.660 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.589 -11.500 11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.162 -9.415 12.048 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.262 -9.811 12.225 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.838 -7.727 13.245 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.386 -7.924 13.337 1.00 0.00 H new ATOM 429 N PHE A 29 5.574 -9.978 8.432 1.00 0.00 N ATOM 430 CA PHE A 29 5.418 -8.741 7.677 1.00 0.00 C ATOM 431 C PHE A 29 4.768 -7.658 8.535 1.00 0.00 C ATOM 432 O PHE A 29 3.921 -7.946 9.380 1.00 0.00 O ATOM 433 CB PHE A 29 4.576 -8.987 6.423 1.00 0.00 C ATOM 434 CG PHE A 29 5.226 -9.916 5.438 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.231 -11.284 5.656 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.832 -9.421 4.294 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.829 -12.141 4.751 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.431 -10.273 3.386 1.00 0.00 C ATOM 439 CZ PHE A 29 6.429 -11.635 3.614 1.00 0.00 C ATOM 0 H PHE A 29 4.725 -10.297 8.899 1.00 0.00 H new ATOM 0 HA PHE A 29 6.409 -8.399 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.611 -9.400 6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.378 -8.033 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.763 -11.685 6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.836 -8.357 4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.827 -13.206 4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.900 -9.874 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.895 -12.303 2.905 1.00 0.00 H new ATOM 449 N VAL A 30 5.172 -6.412 8.310 1.00 0.00 N ATOM 450 CA VAL A 30 4.630 -5.286 9.061 1.00 0.00 C ATOM 451 C VAL A 30 4.410 -4.078 8.158 1.00 0.00 C ATOM 452 O VAL A 30 5.363 -3.419 7.740 1.00 0.00 O ATOM 453 CB VAL A 30 5.562 -4.883 10.220 1.00 0.00 C ATOM 454 CG1 VAL A 30 4.988 -3.697 10.980 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.793 -6.063 11.152 1.00 0.00 C ATOM 0 H VAL A 30 5.873 -6.157 7.614 1.00 0.00 H new ATOM 0 HA VAL A 30 3.673 -5.610 9.470 1.00 0.00 H new ATOM 0 HB VAL A 30 6.524 -4.585 9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.660 -3.427 11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.879 -2.849 10.303 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.013 -3.963 11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.453 -5.761 11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.839 -6.394 11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.252 -6.881 10.597 1.00 0.00 H new ATOM 465 N LEU A 31 3.147 -3.793 7.858 1.00 0.00 N ATOM 466 CA LEU A 31 2.800 -2.663 7.004 1.00 0.00 C ATOM 467 C LEU A 31 3.077 -1.340 7.711 1.00 0.00 C ATOM 468 O LEU A 31 3.065 -1.267 8.939 1.00 0.00 O ATOM 469 CB LEU A 31 1.327 -2.739 6.598 1.00 0.00 C ATOM 470 CG LEU A 31 0.804 -1.579 5.749 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.376 -1.649 4.341 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.717 -1.590 5.710 1.00 0.00 C ATOM 0 H LEU A 31 2.347 -4.329 8.194 1.00 0.00 H new ATOM 0 HA LEU A 31 3.420 -2.712 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.170 -3.666 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.724 -2.801 7.504 1.00 0.00 H new ATOM 0 HG LEU A 31 1.129 -0.644 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.993 -0.816 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.464 -1.592 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.082 -2.589 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.071 -0.758 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.063 -2.529 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.108 -1.491 6.723 1.00 0.00 H new ATOM 484 N ASN A 32 3.324 -0.296 6.926 1.00 0.00 N ATOM 485 CA ASN A 32 3.603 1.025 7.477 1.00 0.00 C ATOM 486 C ASN A 32 2.621 2.059 6.934 1.00 0.00 C ATOM 487 O ASN A 32 2.665 2.412 5.756 1.00 0.00 O ATOM 488 CB ASN A 32 5.037 1.445 7.150 1.00 0.00 C ATOM 489 CG ASN A 32 6.025 1.006 8.213 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.643 0.425 9.229 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.304 1.282 7.982 1.00 0.00 N ATOM 0 H ASN A 32 3.337 -0.339 5.907 1.00 0.00 H new ATOM 0 HA ASN A 32 3.486 0.972 8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.327 1.019 6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.080 2.529 7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.015 1.010 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.575 1.765 7.126 1.00 0.00 H new ATOM 498 N ASN A 33 1.738 2.541 7.801 1.00 0.00 N ATOM 499 CA ASN A 33 0.745 3.535 7.408 1.00 0.00 C ATOM 500 C ASN A 33 1.352 4.935 7.395 1.00 0.00 C ATOM 501 O ASN A 33 0.989 5.771 6.569 1.00 0.00 O ATOM 502 CB ASN A 33 -0.452 3.496 8.361 1.00 0.00 C ATOM 503 CG ASN A 33 -0.266 4.404 9.561 1.00 0.00 C ATOM 504 OD1 ASN A 33 -0.317 5.628 9.441 1.00 0.00 O ATOM 505 ND2 ASN A 33 -0.048 3.807 10.727 1.00 0.00 N ATOM 0 H ASN A 33 1.689 2.260 8.780 1.00 0.00 H new ATOM 0 HA ASN A 33 0.407 3.295 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.352 3.791 7.822 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.607 2.473 8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.085 4.366 11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.014 2.789 10.780 1.00 0.00 H new ATOM 512 N GLU A 34 2.280 5.180 8.315 1.00 0.00 N ATOM 513 CA GLU A 34 2.937 6.479 8.408 1.00 0.00 C ATOM 514 C GLU A 34 3.792 6.746 7.173 1.00 0.00 C ATOM 515 O GLU A 34 3.638 7.769 6.507 1.00 0.00 O ATOM 516 CB GLU A 34 3.805 6.546 9.667 1.00 0.00 C ATOM 517 CG GLU A 34 4.657 7.801 9.751 1.00 0.00 C ATOM 518 CD GLU A 34 5.936 7.693 8.944 1.00 0.00 C ATOM 519 OE1 GLU A 34 6.460 6.567 8.812 1.00 0.00 O ATOM 520 OE2 GLU A 34 6.413 8.734 8.445 1.00 0.00 O ATOM 0 H GLU A 34 2.593 4.498 9.005 1.00 0.00 H new ATOM 0 HA GLU A 34 2.164 7.246 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.162 6.494 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.456 5.672 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.078 8.653 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.905 7.998 10.794 1.00 0.00 H new ATOM 527 N ALA A 35 4.695 5.817 6.874 1.00 0.00 N ATOM 528 CA ALA A 35 5.574 5.951 5.719 1.00 0.00 C ATOM 529 C ALA A 35 4.890 5.456 4.449 1.00 0.00 C ATOM 530 O ALA A 35 4.869 6.149 3.433 1.00 0.00 O ATOM 531 CB ALA A 35 6.872 5.192 5.952 1.00 0.00 C ATOM 0 H ALA A 35 4.837 4.964 7.415 1.00 0.00 H new ATOM 0 HA ALA A 35 5.803 7.009 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.519 5.301 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.376 5.594 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.653 4.136 6.111 1.00 0.00 H new ATOM 537 N GLY A 36 4.333 4.250 4.513 1.00 0.00 N ATOM 538 CA GLY A 36 3.657 3.683 3.361 1.00 0.00 C ATOM 539 C GLY A 36 4.502 2.649 2.645 1.00 0.00 C ATOM 540 O GLY A 36 4.345 2.433 1.442 1.00 0.00 O ATOM 0 H GLY A 36 4.338 3.656 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.722 3.225 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.399 4.482 2.666 1.00 0.00 H new ATOM 544 N LEU A 37 5.402 2.008 3.382 1.00 0.00 N ATOM 545 CA LEU A 37 6.277 0.991 2.810 1.00 0.00 C ATOM 546 C LEU A 37 5.998 -0.377 3.424 1.00 0.00 C ATOM 547 O LEU A 37 5.780 -0.494 4.631 1.00 0.00 O ATOM 548 CB LEU A 37 7.743 1.371 3.026 1.00 0.00 C ATOM 549 CG LEU A 37 8.375 2.249 1.946 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.559 3.020 2.510 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.805 1.405 0.756 1.00 0.00 C ATOM 0 H LEU A 37 5.545 2.175 4.378 1.00 0.00 H new ATOM 0 HA LEU A 37 6.076 0.935 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.826 1.889 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.327 0.454 3.108 1.00 0.00 H new ATOM 0 HG LEU A 37 7.628 2.967 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.996 3.639 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.223 3.655 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.308 2.319 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.253 2.047 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.535 0.664 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.936 0.899 0.336 1.00 0.00 H new ATOM 563 N LEU A 38 6.008 -1.409 2.588 1.00 0.00 N ATOM 564 CA LEU A 38 5.759 -2.770 3.049 1.00 0.00 C ATOM 565 C LEU A 38 7.069 -3.518 3.273 1.00 0.00 C ATOM 566 O LEU A 38 7.793 -3.816 2.324 1.00 0.00 O ATOM 567 CB LEU A 38 4.895 -3.522 2.036 1.00 0.00 C ATOM 568 CG LEU A 38 4.663 -5.006 2.322 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.660 -5.182 3.452 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.187 -5.724 1.067 1.00 0.00 C ATOM 0 H LEU A 38 6.186 -1.329 1.587 1.00 0.00 H new ATOM 0 HA LEU A 38 5.228 -2.714 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.925 -3.028 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.359 -3.430 1.054 1.00 0.00 H new ATOM 0 HG LEU A 38 5.610 -5.448 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.508 -6.245 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.041 -4.704 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.712 -4.724 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.027 -6.779 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.252 -5.279 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.941 -5.628 0.285 1.00 0.00 H new ATOM 582 N GLU A 39 7.365 -3.820 4.533 1.00 0.00 N ATOM 583 CA GLU A 39 8.587 -4.535 4.880 1.00 0.00 C ATOM 584 C GLU A 39 8.268 -5.912 5.454 1.00 0.00 C ATOM 585 O GLU A 39 7.120 -6.207 5.787 1.00 0.00 O ATOM 586 CB GLU A 39 9.408 -3.728 5.888 1.00 0.00 C ATOM 587 CG GLU A 39 9.469 -2.242 5.573 1.00 0.00 C ATOM 588 CD GLU A 39 10.618 -1.544 6.273 1.00 0.00 C ATOM 589 OE1 GLU A 39 11.362 -2.221 7.013 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.774 -0.320 6.080 1.00 0.00 O ATOM 0 H GLU A 39 6.775 -3.581 5.330 1.00 0.00 H new ATOM 0 HA GLU A 39 9.171 -4.667 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.982 -3.863 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.422 -4.126 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.569 -2.107 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.530 -1.773 5.868 1.00 0.00 H new ATOM 597 N TYR A 40 9.291 -6.751 5.566 1.00 0.00 N ATOM 598 CA TYR A 40 9.120 -8.098 6.097 1.00 0.00 C ATOM 599 C TYR A 40 10.398 -8.583 6.777 1.00 0.00 C ATOM 600 O TYR A 40 11.482 -8.530 6.196 1.00 0.00 O ATOM 601 CB TYR A 40 8.727 -9.064 4.978 1.00 0.00 C ATOM 602 CG TYR A 40 9.903 -9.567 4.171 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.786 -10.500 4.701 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.130 -9.109 2.879 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.862 -10.961 3.967 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.203 -9.566 2.138 1.00 0.00 C ATOM 607 CZ TYR A 40 12.066 -10.491 2.687 1.00 0.00 C ATOM 608 OH TYR A 40 13.136 -10.950 1.952 1.00 0.00 O ATOM 0 H TYR A 40 10.248 -6.522 5.296 1.00 0.00 H new ATOM 0 HA TYR A 40 8.323 -8.069 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.204 -9.916 5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.025 -8.566 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.629 -10.871 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.457 -8.384 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.540 -11.686 4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.365 -9.201 1.135 1.00 0.00 H new ATOM 0 HH TYR A 40 13.136 -10.521 1.071 1.00 0.00 H new ATOM 618 N PHE A 41 10.261 -9.055 8.011 1.00 0.00 N ATOM 619 CA PHE A 41 11.403 -9.549 8.772 1.00 0.00 C ATOM 620 C PHE A 41 11.193 -11.002 9.187 1.00 0.00 C ATOM 621 O PHE A 41 10.061 -11.480 9.265 1.00 0.00 O ATOM 622 CB PHE A 41 11.631 -8.681 10.012 1.00 0.00 C ATOM 623 CG PHE A 41 11.525 -7.207 9.739 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.289 -6.610 9.555 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.663 -6.420 9.668 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.189 -5.255 9.304 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.570 -5.064 9.417 1.00 0.00 C ATOM 628 CZ PHE A 41 11.331 -4.480 9.236 1.00 0.00 C ATOM 0 H PHE A 41 9.371 -9.106 8.506 1.00 0.00 H new ATOM 0 HA PHE A 41 12.284 -9.496 8.132 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.903 -8.954 10.776 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.618 -8.897 10.420 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.393 -7.211 9.608 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.634 -6.871 9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.219 -4.802 9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.465 -4.462 9.362 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.255 -3.420 9.042 1.00 0.00 H new ATOM 638 N VAL A 42 12.292 -11.701 9.451 1.00 0.00 N ATOM 639 CA VAL A 42 12.230 -13.099 9.858 1.00 0.00 C ATOM 640 C VAL A 42 11.157 -13.315 10.920 1.00 0.00 C ATOM 641 O VAL A 42 10.398 -14.282 10.863 1.00 0.00 O ATOM 642 CB VAL A 42 13.585 -13.585 10.407 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.494 -14.024 9.269 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.245 -12.495 11.238 1.00 0.00 C ATOM 0 H VAL A 42 13.237 -11.321 9.390 1.00 0.00 H new ATOM 0 HA VAL A 42 11.979 -13.677 8.968 1.00 0.00 H new ATOM 0 HB VAL A 42 13.409 -14.445 11.053 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.447 -14.364 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.022 -14.839 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.666 -13.184 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.201 -12.856 11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.410 -11.614 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.598 -12.233 12.075 1.00 0.00 H new ATOM 654 N ASN A 43 11.101 -12.407 11.890 1.00 0.00 N ATOM 655 CA ASN A 43 10.121 -12.498 12.966 1.00 0.00 C ATOM 656 C ASN A 43 9.848 -11.125 13.570 1.00 0.00 C ATOM 657 O ASN A 43 10.408 -10.121 13.132 1.00 0.00 O ATOM 658 CB ASN A 43 10.613 -13.457 14.052 1.00 0.00 C ATOM 659 CG ASN A 43 10.645 -14.898 13.580 1.00 0.00 C ATOM 660 OD1 ASN A 43 9.602 -15.506 13.334 1.00 0.00 O ATOM 661 ND2 ASN A 43 11.845 -15.452 13.451 1.00 0.00 N ATOM 0 H ASN A 43 11.722 -11.601 11.952 1.00 0.00 H new ATOM 0 HA ASN A 43 9.191 -12.882 12.546 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.612 -13.159 14.370 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.964 -13.378 14.924 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.929 -16.419 13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.682 -14.911 13.666 1.00 0.00 H new ATOM 668 N GLU A 44 8.983 -11.089 14.580 1.00 0.00 N ATOM 669 CA GLU A 44 8.636 -9.839 15.244 1.00 0.00 C ATOM 670 C GLU A 44 9.793 -9.340 16.105 1.00 0.00 C ATOM 671 O GLU A 44 9.879 -8.154 16.419 1.00 0.00 O ATOM 672 CB GLU A 44 7.387 -10.024 16.108 1.00 0.00 C ATOM 673 CG GLU A 44 6.087 -9.930 15.326 1.00 0.00 C ATOM 674 CD GLU A 44 4.895 -10.440 16.113 1.00 0.00 C ATOM 675 OE1 GLU A 44 5.051 -11.442 16.842 1.00 0.00 O ATOM 676 OE2 GLU A 44 3.807 -9.839 15.999 1.00 0.00 O ATOM 0 H GLU A 44 8.510 -11.911 14.955 1.00 0.00 H new ATOM 0 HA GLU A 44 8.431 -9.095 14.475 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.436 -10.996 16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.384 -9.269 16.894 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.913 -8.892 15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.180 -10.502 14.403 1.00 0.00 H new ATOM 683 N GLN A 45 10.680 -10.256 16.481 1.00 0.00 N ATOM 684 CA GLN A 45 11.831 -9.910 17.306 1.00 0.00 C ATOM 685 C GLN A 45 12.922 -9.250 16.469 1.00 0.00 C ATOM 686 O GLN A 45 13.559 -8.291 16.906 1.00 0.00 O ATOM 687 CB GLN A 45 12.385 -11.158 17.995 1.00 0.00 C ATOM 688 CG GLN A 45 13.723 -10.931 18.682 1.00 0.00 C ATOM 689 CD GLN A 45 13.571 -10.512 20.131 1.00 0.00 C ATOM 690 OE1 GLN A 45 13.557 -9.322 20.447 1.00 0.00 O ATOM 691 NE2 GLN A 45 13.457 -11.490 21.021 1.00 0.00 N ATOM 0 H GLN A 45 10.623 -11.242 16.228 1.00 0.00 H new ATOM 0 HA GLN A 45 11.502 -9.201 18.065 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.662 -11.507 18.732 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.495 -11.952 17.256 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.313 -11.846 18.632 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.279 -10.164 18.142 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.474 -12.463 20.715 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.353 -11.269 22.011 1.00 0.00 H new ATOM 700 N SER A 46 13.133 -9.770 15.264 1.00 0.00 N ATOM 701 CA SER A 46 14.150 -9.234 14.368 1.00 0.00 C ATOM 702 C SER A 46 13.615 -8.031 13.597 1.00 0.00 C ATOM 703 O SER A 46 13.743 -7.956 12.375 1.00 0.00 O ATOM 704 CB SER A 46 14.618 -10.313 13.389 1.00 0.00 C ATOM 705 OG SER A 46 15.717 -11.037 13.915 1.00 0.00 O ATOM 0 H SER A 46 12.613 -10.562 14.886 1.00 0.00 H new ATOM 0 HA SER A 46 14.997 -8.910 14.973 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.796 -10.997 13.177 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.902 -9.852 12.443 1.00 0.00 H new ATOM 0 HG SER A 46 16.097 -11.609 13.216 1.00 0.00 H new ATOM 711 N ARG A 47 13.016 -7.091 14.321 1.00 0.00 N ATOM 712 CA ARG A 47 12.461 -5.891 13.707 1.00 0.00 C ATOM 713 C ARG A 47 13.500 -4.775 13.656 1.00 0.00 C ATOM 714 O ARG A 47 13.944 -4.377 12.580 1.00 0.00 O ATOM 715 CB ARG A 47 11.228 -5.420 14.482 1.00 0.00 C ATOM 716 CG ARG A 47 9.928 -6.036 13.992 1.00 0.00 C ATOM 717 CD ARG A 47 8.747 -5.110 14.235 1.00 0.00 C ATOM 718 NE ARG A 47 8.771 -3.948 13.351 1.00 0.00 N ATOM 719 CZ ARG A 47 7.861 -2.981 13.383 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.861 -3.036 14.252 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.951 -1.955 12.546 1.00 0.00 N ATOM 0 H ARG A 47 12.903 -7.138 15.334 1.00 0.00 H new ATOM 0 HA ARG A 47 12.169 -6.138 12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.359 -5.660 15.537 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.156 -4.335 14.409 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.007 -6.255 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.759 -6.985 14.501 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.818 -5.660 14.085 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.756 -4.776 15.273 1.00 0.00 H new ATOM 0 HE ARG A 47 9.528 -3.875 12.672 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.789 -3.822 14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.163 -2.292 14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.720 -1.908 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.252 -1.213 12.572 1.00 0.00 H new ATOM 735 N ASN A 48 13.883 -4.276 14.826 1.00 0.00 N ATOM 736 CA ASN A 48 14.869 -3.205 14.915 1.00 0.00 C ATOM 737 C ASN A 48 15.945 -3.367 13.845 1.00 0.00 C ATOM 738 O ASN A 48 16.330 -2.400 13.188 1.00 0.00 O ATOM 739 CB ASN A 48 15.512 -3.189 16.303 1.00 0.00 C ATOM 740 CG ASN A 48 16.648 -2.189 16.403 1.00 0.00 C ATOM 741 OD1 ASN A 48 16.456 -0.992 16.187 1.00 0.00 O ATOM 742 ND2 ASN A 48 17.838 -2.677 16.731 1.00 0.00 N ATOM 0 H ASN A 48 13.526 -4.596 15.726 1.00 0.00 H new ATOM 0 HA ASN A 48 14.356 -2.258 14.749 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.754 -2.949 17.049 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.887 -4.185 16.538 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.640 -2.053 16.813 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.950 -3.676 16.901 1.00 0.00 H new ATOM 749 N GLN A 49 16.425 -4.595 13.678 1.00 0.00 N ATOM 750 CA GLN A 49 17.456 -4.883 12.688 1.00 0.00 C ATOM 751 C GLN A 49 16.985 -4.511 11.286 1.00 0.00 C ATOM 752 O GLN A 49 15.789 -4.346 11.045 1.00 0.00 O ATOM 753 CB GLN A 49 17.838 -6.363 12.735 1.00 0.00 C ATOM 754 CG GLN A 49 19.126 -6.683 11.994 1.00 0.00 C ATOM 755 CD GLN A 49 18.891 -7.031 10.537 1.00 0.00 C ATOM 756 OE1 GLN A 49 17.859 -7.601 10.182 1.00 0.00 O ATOM 757 NE2 GLN A 49 19.849 -6.688 9.684 1.00 0.00 N ATOM 0 H GLN A 49 16.117 -5.406 14.215 1.00 0.00 H new ATOM 0 HA GLN A 49 18.332 -4.281 12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.942 -6.670 13.776 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.027 -6.953 12.308 1.00 0.00 H new ATOM 0 HG2 GLN A 49 19.798 -5.827 12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.626 -7.517 12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.688 -6.217 10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.746 -6.896 8.691 1.00 0.00 H new ATOM 766 N LYS A 50 17.932 -4.380 10.364 1.00 0.00 N ATOM 767 CA LYS A 50 17.615 -4.028 8.985 1.00 0.00 C ATOM 768 C LYS A 50 16.589 -4.994 8.400 1.00 0.00 C ATOM 769 O LYS A 50 16.669 -6.208 8.584 1.00 0.00 O ATOM 770 CB LYS A 50 18.884 -4.036 8.130 1.00 0.00 C ATOM 771 CG LYS A 50 18.677 -3.488 6.729 1.00 0.00 C ATOM 772 CD LYS A 50 18.661 -1.969 6.721 1.00 0.00 C ATOM 773 CE LYS A 50 20.069 -1.397 6.642 1.00 0.00 C ATOM 774 NZ LYS A 50 20.780 -1.491 7.947 1.00 0.00 N ATOM 0 H LYS A 50 18.927 -4.512 10.547 1.00 0.00 H new ATOM 0 HA LYS A 50 17.188 -3.025 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.653 -3.448 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.258 -5.057 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.472 -3.848 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.737 -3.865 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.075 -1.615 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.169 -1.604 7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.636 -1.932 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.020 -0.354 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.481 -0.726 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.094 -1.403 8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.263 -2.410 8.014 1.00 0.00 H new ATOM 788 N PRO A 51 15.604 -4.443 7.676 1.00 0.00 N ATOM 789 CA PRO A 51 14.545 -5.238 7.047 1.00 0.00 C ATOM 790 C PRO A 51 15.063 -6.077 5.884 1.00 0.00 C ATOM 791 O PRO A 51 15.782 -5.579 5.018 1.00 0.00 O ATOM 792 CB PRO A 51 13.558 -4.181 6.545 1.00 0.00 C ATOM 793 CG PRO A 51 14.381 -2.954 6.355 1.00 0.00 C ATOM 794 CD PRO A 51 15.447 -3.003 7.415 1.00 0.00 C ATOM 0 HA PRO A 51 14.107 -5.955 7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.087 -4.490 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.757 -4.013 7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.822 -2.930 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.772 -2.056 6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.378 -2.554 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.146 -2.463 8.313 1.00 0.00 H new ATOM 802 N ARG A 52 14.693 -7.354 5.870 1.00 0.00 N ATOM 803 CA ARG A 52 15.122 -8.262 4.813 1.00 0.00 C ATOM 804 C ARG A 52 14.776 -7.698 3.438 1.00 0.00 C ATOM 805 O ARG A 52 15.585 -7.752 2.513 1.00 0.00 O ATOM 806 CB ARG A 52 14.467 -9.633 4.993 1.00 0.00 C ATOM 807 CG ARG A 52 15.026 -10.426 6.163 1.00 0.00 C ATOM 808 CD ARG A 52 16.415 -10.965 5.858 1.00 0.00 C ATOM 809 NE ARG A 52 17.464 -10.027 6.248 1.00 0.00 N ATOM 810 CZ ARG A 52 18.761 -10.265 6.084 1.00 0.00 C ATOM 811 NH1 ARG A 52 19.166 -11.404 5.540 1.00 0.00 N ATOM 812 NH2 ARG A 52 19.656 -9.362 6.465 1.00 0.00 N ATOM 0 H ARG A 52 14.097 -7.783 6.578 1.00 0.00 H new ATOM 0 HA ARG A 52 16.204 -8.372 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.395 -9.498 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.597 -10.211 4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.067 -9.791 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.356 -11.254 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.560 -11.910 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.496 -11.176 4.792 1.00 0.00 H new ATOM 0 HE ARG A 52 17.186 -9.141 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.481 -12.101 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.162 -11.584 5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.348 -8.484 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.651 -9.546 6.339 1.00 0.00 H new ATOM 826 N GLY A 53 13.568 -7.158 3.312 1.00 0.00 N ATOM 827 CA GLY A 53 13.136 -6.593 2.047 1.00 0.00 C ATOM 828 C GLY A 53 11.999 -5.604 2.212 1.00 0.00 C ATOM 829 O GLY A 53 11.302 -5.610 3.227 1.00 0.00 O ATOM 0 H GLY A 53 12.881 -7.102 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.979 -6.096 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.820 -7.397 1.382 1.00 0.00 H new ATOM 833 N THR A 54 11.811 -4.748 1.212 1.00 0.00 N ATOM 834 CA THR A 54 10.753 -3.747 1.252 1.00 0.00 C ATOM 835 C THR A 54 10.120 -3.561 -0.123 1.00 0.00 C ATOM 836 O THR A 54 10.741 -3.846 -1.147 1.00 0.00 O ATOM 837 CB THR A 54 11.284 -2.388 1.747 1.00 0.00 C ATOM 838 OG1 THR A 54 12.272 -1.888 0.840 1.00 0.00 O ATOM 839 CG2 THR A 54 11.884 -2.517 3.139 1.00 0.00 C ATOM 0 H THR A 54 12.378 -4.728 0.364 1.00 0.00 H new ATOM 0 HA THR A 54 10.000 -4.111 1.950 1.00 0.00 H new ATOM 0 HB THR A 54 10.448 -1.690 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.603 -1.023 1.161 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.252 -1.545 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.121 -2.870 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.709 -3.229 3.115 1.00 0.00 H new ATOM 847 N LEU A 55 8.881 -3.082 -0.138 1.00 0.00 N ATOM 848 CA LEU A 55 8.163 -2.857 -1.388 1.00 0.00 C ATOM 849 C LEU A 55 7.222 -1.663 -1.268 1.00 0.00 C ATOM 850 O LEU A 55 6.499 -1.527 -0.282 1.00 0.00 O ATOM 851 CB LEU A 55 7.372 -4.107 -1.776 1.00 0.00 C ATOM 852 CG LEU A 55 6.597 -4.030 -3.092 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.520 -4.293 -4.271 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.439 -5.017 -3.089 1.00 0.00 C ATOM 0 H LEU A 55 8.353 -2.842 0.701 1.00 0.00 H new ATOM 0 HA LEU A 55 8.896 -2.642 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.064 -4.947 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.667 -4.330 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 55 6.190 -3.024 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.951 -4.234 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.314 -3.547 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.957 -5.287 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.899 -4.948 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.824 -6.029 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.763 -4.782 -2.267 1.00 0.00 H new ATOM 866 N GLN A 56 7.236 -0.801 -2.280 1.00 0.00 N ATOM 867 CA GLN A 56 6.383 0.381 -2.288 1.00 0.00 C ATOM 868 C GLN A 56 4.947 0.013 -2.646 1.00 0.00 C ATOM 869 O GLN A 56 4.705 -0.941 -3.387 1.00 0.00 O ATOM 870 CB GLN A 56 6.919 1.416 -3.279 1.00 0.00 C ATOM 871 CG GLN A 56 7.920 2.383 -2.667 1.00 0.00 C ATOM 872 CD GLN A 56 8.854 2.986 -3.698 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.489 3.920 -4.412 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.067 2.453 -3.780 1.00 0.00 N ATOM 0 H GLN A 56 7.829 -0.899 -3.104 1.00 0.00 H new ATOM 0 HA GLN A 56 6.390 0.810 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.391 0.897 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.082 1.983 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.382 3.183 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.507 1.862 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.327 1.679 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.739 2.817 -4.455 1.00 0.00 H new ATOM 883 N LEU A 57 3.997 0.775 -2.116 1.00 0.00 N ATOM 884 CA LEU A 57 2.583 0.529 -2.379 1.00 0.00 C ATOM 885 C LEU A 57 1.995 1.625 -3.262 1.00 0.00 C ATOM 886 O LEU A 57 1.128 1.365 -4.096 1.00 0.00 O ATOM 887 CB LEU A 57 1.806 0.446 -1.064 1.00 0.00 C ATOM 888 CG LEU A 57 2.093 -0.776 -0.191 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.501 -0.591 1.198 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.546 -2.038 -0.842 1.00 0.00 C ATOM 0 H LEU A 57 4.180 1.568 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 57 2.497 -0.422 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.020 1.342 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.740 0.462 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 57 3.173 -0.882 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.715 -1.471 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.941 0.289 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.422 -0.459 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.760 -2.897 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.468 -1.942 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.018 -2.180 -1.814 1.00 0.00 H new ATOM 902 N ALA A 58 2.473 2.851 -3.073 1.00 0.00 N ATOM 903 CA ALA A 58 1.998 3.985 -3.855 1.00 0.00 C ATOM 904 C ALA A 58 1.904 3.631 -5.335 1.00 0.00 C ATOM 905 O ALA A 58 2.917 3.536 -6.026 1.00 0.00 O ATOM 906 CB ALA A 58 2.912 5.184 -3.654 1.00 0.00 C ATOM 0 H ALA A 58 3.189 3.084 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 58 0.998 4.242 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.545 6.024 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.924 5.459 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.922 4.929 -3.974 1.00 0.00 H new ATOM 912 N GLY A 59 0.679 3.436 -5.815 1.00 0.00 N ATOM 913 CA GLY A 59 0.476 3.093 -7.211 1.00 0.00 C ATOM 914 C GLY A 59 0.631 1.608 -7.472 1.00 0.00 C ATOM 915 O GLY A 59 1.110 1.204 -8.531 1.00 0.00 O ATOM 0 H GLY A 59 -0.175 3.509 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.520 3.411 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.190 3.643 -7.824 1.00 0.00 H new ATOM 919 N ALA A 60 0.226 0.793 -6.503 1.00 0.00 N ATOM 920 CA ALA A 60 0.322 -0.655 -6.633 1.00 0.00 C ATOM 921 C ALA A 60 -1.038 -1.270 -6.945 1.00 0.00 C ATOM 922 O ALA A 60 -2.065 -0.594 -6.881 1.00 0.00 O ATOM 923 CB ALA A 60 0.899 -1.262 -5.363 1.00 0.00 C ATOM 0 H ALA A 60 -0.172 1.112 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 60 0.991 -0.876 -7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.965 -2.344 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.894 -0.854 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.252 -1.023 -4.519 1.00 0.00 H new ATOM 929 N VAL A 61 -1.038 -2.555 -7.283 1.00 0.00 N ATOM 930 CA VAL A 61 -2.273 -3.261 -7.604 1.00 0.00 C ATOM 931 C VAL A 61 -2.404 -4.540 -6.785 1.00 0.00 C ATOM 932 O VAL A 61 -1.446 -5.300 -6.643 1.00 0.00 O ATOM 933 CB VAL A 61 -2.344 -3.615 -9.102 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.391 -4.691 -9.347 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.640 -2.373 -9.928 1.00 0.00 C ATOM 0 H VAL A 61 -0.197 -3.129 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.095 -2.589 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.376 -4.007 -9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.427 -4.928 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.130 -5.587 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.367 -4.330 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.687 -2.641 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.595 -1.949 -9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.850 -1.637 -9.775 1.00 0.00 H new ATOM 945 N ILE A 62 -3.597 -4.772 -6.247 1.00 0.00 N ATOM 946 CA ILE A 62 -3.854 -5.960 -5.442 1.00 0.00 C ATOM 947 C ILE A 62 -4.842 -6.891 -6.137 1.00 0.00 C ATOM 948 O ILE A 62 -5.995 -6.529 -6.366 1.00 0.00 O ATOM 949 CB ILE A 62 -4.404 -5.590 -4.052 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.363 -4.795 -3.262 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.810 -6.844 -3.292 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.300 -3.333 -3.646 1.00 0.00 C ATOM 0 H ILE A 62 -4.401 -4.153 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.900 -6.472 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.288 -4.965 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.588 -4.874 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.382 -5.245 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.197 -6.566 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.582 -7.374 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.942 -7.492 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.541 -2.832 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.044 -3.245 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.269 -2.868 -3.467 1.00 0.00 H new ATOM 964 N SER A 63 -4.381 -8.093 -6.467 1.00 0.00 N ATOM 965 CA SER A 63 -5.223 -9.077 -7.138 1.00 0.00 C ATOM 966 C SER A 63 -5.266 -10.382 -6.350 1.00 0.00 C ATOM 967 O SER A 63 -4.411 -11.255 -6.498 1.00 0.00 O ATOM 968 CB SER A 63 -4.708 -9.340 -8.554 1.00 0.00 C ATOM 969 OG SER A 63 -5.758 -9.759 -9.409 1.00 0.00 O ATOM 0 H SER A 63 -3.429 -8.409 -6.281 1.00 0.00 H new ATOM 0 HA SER A 63 -6.234 -8.674 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.250 -8.434 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.931 -10.104 -8.526 1.00 0.00 H new ATOM 0 HG SER A 63 -5.403 -9.919 -10.308 1.00 0.00 H new ATOM 975 N PRO A 64 -6.287 -10.520 -5.490 1.00 0.00 N ATOM 976 CA PRO A 64 -6.468 -11.715 -4.661 1.00 0.00 C ATOM 977 C PRO A 64 -6.867 -12.936 -5.483 1.00 0.00 C ATOM 978 O PRO A 64 -7.992 -13.024 -5.976 1.00 0.00 O ATOM 979 CB PRO A 64 -7.599 -11.319 -3.709 1.00 0.00 C ATOM 980 CG PRO A 64 -8.358 -10.266 -4.440 1.00 0.00 C ATOM 981 CD PRO A 64 -7.343 -9.520 -5.262 1.00 0.00 C ATOM 0 HA PRO A 64 -5.547 -12.002 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.234 -12.173 -3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.207 -10.941 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.126 -10.708 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.865 -9.597 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.769 -9.164 -6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.962 -8.646 -4.733 1.00 0.00 H new ATOM 989 N SER A 65 -5.939 -13.876 -5.628 1.00 0.00 N ATOM 990 CA SER A 65 -6.193 -15.091 -6.394 1.00 0.00 C ATOM 991 C SER A 65 -7.434 -15.810 -5.875 1.00 0.00 C ATOM 992 O SER A 65 -8.027 -15.405 -4.875 1.00 0.00 O ATOM 993 CB SER A 65 -4.983 -16.024 -6.326 1.00 0.00 C ATOM 994 OG SER A 65 -5.032 -16.998 -7.354 1.00 0.00 O ATOM 0 H SER A 65 -5.004 -13.820 -5.225 1.00 0.00 H new ATOM 0 HA SER A 65 -6.366 -14.808 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.066 -15.442 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.954 -16.517 -5.354 1.00 0.00 H new ATOM 0 HG SER A 65 -4.247 -17.581 -7.290 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.821 -16.879 -6.561 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.991 -17.657 -6.170 1.00 0.00 C ATOM 1002 C ASP A 66 -8.681 -19.151 -6.189 1.00 0.00 C ATOM 1003 O ASP A 66 -9.561 -19.973 -6.443 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.165 -17.356 -7.103 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.923 -16.108 -6.695 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -11.740 -16.191 -5.753 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -10.699 -15.048 -7.316 1.00 0.00 O ATOM 0 H ASP A 66 -7.342 -17.227 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.262 -17.373 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.795 -17.236 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.847 -18.206 -7.110 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.426 -19.493 -5.918 1.00 0.00 N ATOM 1013 CA GLU A 67 -7.001 -20.888 -5.905 1.00 0.00 C ATOM 1014 C GLU A 67 -7.117 -21.480 -4.503 1.00 0.00 C ATOM 1015 O GLU A 67 -7.933 -22.369 -4.259 1.00 0.00 O ATOM 1016 CB GLU A 67 -5.559 -21.009 -6.404 1.00 0.00 C ATOM 1017 CG GLU A 67 -5.447 -21.155 -7.912 1.00 0.00 C ATOM 1018 CD GLU A 67 -6.429 -22.163 -8.476 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -6.358 -23.345 -8.079 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -7.268 -21.771 -9.314 1.00 0.00 O ATOM 0 H GLU A 67 -6.686 -18.824 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.657 -21.447 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.000 -20.128 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.090 -21.870 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.618 -20.186 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.432 -21.459 -8.169 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.295 -20.980 -3.587 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.305 -21.458 -2.209 1.00 0.00 C ATOM 1029 C ASP A 68 -7.056 -20.487 -1.303 1.00 0.00 C ATOM 1030 O ASP A 68 -7.063 -19.279 -1.541 1.00 0.00 O ATOM 1031 CB ASP A 68 -4.875 -21.647 -1.702 1.00 0.00 C ATOM 1032 CG ASP A 68 -3.970 -22.278 -2.742 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -3.513 -21.552 -3.649 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.720 -23.498 -2.650 1.00 0.00 O ATOM 0 H ASP A 68 -5.614 -20.244 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.819 -22.419 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.466 -20.680 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.889 -22.272 -0.809 1.00 0.00 H new ATOM 1039 N SER A 69 -7.686 -21.023 -0.263 1.00 0.00 N ATOM 1040 CA SER A 69 -8.444 -20.205 0.677 1.00 0.00 C ATOM 1041 C SER A 69 -7.709 -18.902 0.977 1.00 0.00 C ATOM 1042 O SER A 69 -8.293 -17.819 0.920 1.00 0.00 O ATOM 1043 CB SER A 69 -8.689 -20.976 1.975 1.00 0.00 C ATOM 1044 OG SER A 69 -7.496 -21.585 2.440 1.00 0.00 O ATOM 0 H SER A 69 -7.687 -22.020 -0.050 1.00 0.00 H new ATOM 0 HA SER A 69 -9.404 -19.964 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.076 -20.299 2.736 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.450 -21.739 1.810 1.00 0.00 H new ATOM 0 HG SER A 69 -7.679 -22.070 3.272 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.424 -19.015 1.299 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.608 -17.846 1.608 1.00 0.00 C ATOM 1052 C HIS A 70 -4.572 -17.602 0.515 1.00 0.00 C ATOM 1053 O HIS A 70 -3.625 -18.374 0.358 1.00 0.00 O ATOM 1054 CB HIS A 70 -4.911 -18.027 2.957 1.00 0.00 C ATOM 1055 CG HIS A 70 -5.681 -18.876 3.920 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -5.079 -19.657 4.884 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -7.014 -19.064 4.065 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -6.008 -20.289 5.580 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -7.191 -19.946 5.103 1.00 0.00 N ATOM 0 H HIS A 70 -5.926 -19.903 1.353 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.265 -16.978 1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -3.931 -18.476 2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.742 -17.047 3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.793 -18.606 3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.830 -20.970 6.399 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.090 -20.282 5.449 1.00 0.00 H new ATOM 1068 N THR A 71 -4.757 -16.524 -0.240 1.00 0.00 N ATOM 1069 CA THR A 71 -3.841 -16.180 -1.319 1.00 0.00 C ATOM 1070 C THR A 71 -4.115 -14.777 -1.848 1.00 0.00 C ATOM 1071 O THR A 71 -5.268 -14.355 -1.948 1.00 0.00 O ATOM 1072 CB THR A 71 -3.941 -17.183 -2.484 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.316 -18.473 -1.988 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.618 -17.285 -3.227 1.00 0.00 C ATOM 0 H THR A 71 -5.534 -15.874 -0.123 1.00 0.00 H new ATOM 0 HA THR A 71 -2.835 -16.218 -0.901 1.00 0.00 H new ATOM 0 HB THR A 71 -4.702 -16.825 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.652 -18.778 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.714 -17.999 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.350 -16.308 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.840 -17.621 -2.541 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.050 -14.057 -2.185 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.177 -12.700 -2.703 1.00 0.00 C ATOM 1084 C PHE A 72 -1.818 -12.148 -3.122 1.00 0.00 C ATOM 1085 O PHE A 72 -0.793 -12.462 -2.515 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.809 -11.786 -1.651 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.962 -11.613 -0.422 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -1.887 -10.738 -0.424 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -3.241 -12.324 0.734 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.106 -10.576 0.705 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -2.463 -12.165 1.865 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.394 -11.291 1.851 1.00 0.00 C ATOM 0 H PHE A 72 -2.089 -14.391 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.823 -12.733 -3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.995 -10.808 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.777 -12.194 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.657 -10.177 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.075 -13.010 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.271 -9.891 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.691 -12.725 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.785 -11.167 2.734 1.00 0.00 H new ATOM 1102 N THR A 73 -1.816 -11.325 -4.166 1.00 0.00 N ATOM 1103 CA THR A 73 -0.584 -10.730 -4.668 1.00 0.00 C ATOM 1104 C THR A 73 -0.578 -9.220 -4.463 1.00 0.00 C ATOM 1105 O THR A 73 -1.630 -8.602 -4.295 1.00 0.00 O ATOM 1106 CB THR A 73 -0.383 -11.034 -6.165 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.525 -10.599 -6.911 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.161 -12.522 -6.390 1.00 0.00 C ATOM 0 H THR A 73 -2.654 -11.055 -4.680 1.00 0.00 H new ATOM 0 HA THR A 73 0.234 -11.174 -4.101 1.00 0.00 H new ATOM 0 HB THR A 73 0.501 -10.495 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.316 -11.099 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.022 -12.712 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.726 -12.844 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.028 -13.077 -6.033 1.00 0.00 H new ATOM 1116 N VAL A 74 0.613 -8.630 -4.478 1.00 0.00 N ATOM 1117 CA VAL A 74 0.755 -7.190 -4.295 1.00 0.00 C ATOM 1118 C VAL A 74 1.686 -6.592 -5.343 1.00 0.00 C ATOM 1119 O VAL A 74 2.891 -6.478 -5.126 1.00 0.00 O ATOM 1120 CB VAL A 74 1.296 -6.853 -2.892 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.605 -5.368 -2.782 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.303 -7.281 -1.822 1.00 0.00 C ATOM 0 H VAL A 74 1.493 -9.127 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.239 -6.757 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 74 2.223 -7.405 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.986 -5.149 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.355 -5.096 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.696 -4.793 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.701 -7.036 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.642 -6.758 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.137 -8.356 -1.889 1.00 0.00 H new ATOM 1132 N ASN A 75 1.117 -6.211 -6.483 1.00 0.00 N ATOM 1133 CA ASN A 75 1.896 -5.624 -7.567 1.00 0.00 C ATOM 1134 C ASN A 75 2.602 -4.353 -7.104 1.00 0.00 C ATOM 1135 O ASN A 75 2.492 -3.958 -5.943 1.00 0.00 O ATOM 1136 CB ASN A 75 0.993 -5.313 -8.762 1.00 0.00 C ATOM 1137 CG ASN A 75 0.821 -6.505 -9.683 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.302 -6.503 -10.816 1.00 0.00 O ATOM 1139 ND2 ASN A 75 0.131 -7.531 -9.199 1.00 0.00 N ATOM 0 H ASN A 75 0.120 -6.298 -6.679 1.00 0.00 H new ATOM 0 HA ASN A 75 2.652 -6.348 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.016 -4.992 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.414 -4.480 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.018 -8.361 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.250 -7.489 -8.254 1.00 0.00 H new ATOM 1146 N ALA A 76 3.326 -3.718 -8.019 1.00 0.00 N ATOM 1147 CA ALA A 76 4.047 -2.490 -7.705 1.00 0.00 C ATOM 1148 C ALA A 76 4.153 -1.587 -8.930 1.00 0.00 C ATOM 1149 O ALA A 76 4.433 -2.053 -10.034 1.00 0.00 O ATOM 1150 CB ALA A 76 5.432 -2.815 -7.166 1.00 0.00 C ATOM 0 H ALA A 76 3.429 -4.033 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 76 3.487 -1.955 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.959 -1.889 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.339 -3.414 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.992 -3.375 -7.915 1.00 0.00 H new ATOM 1156 N ALA A 77 3.925 -0.294 -8.727 1.00 0.00 N ATOM 1157 CA ALA A 77 3.996 0.674 -9.814 1.00 0.00 C ATOM 1158 C ALA A 77 5.164 0.368 -10.746 1.00 0.00 C ATOM 1159 O ALA A 77 4.988 0.252 -11.959 1.00 0.00 O ATOM 1160 CB ALA A 77 4.117 2.085 -9.258 1.00 0.00 C ATOM 0 H ALA A 77 3.689 0.107 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 77 3.075 0.602 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.169 2.797 -10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.248 2.308 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.021 2.162 -8.654 1.00 0.00 H new ATOM 1166 N SER A 78 6.355 0.240 -10.171 1.00 0.00 N ATOM 1167 CA SER A 78 7.553 -0.048 -10.952 1.00 0.00 C ATOM 1168 C SER A 78 7.332 -1.251 -11.863 1.00 0.00 C ATOM 1169 O SER A 78 7.678 -1.222 -13.044 1.00 0.00 O ATOM 1170 CB SER A 78 8.741 -0.309 -10.024 1.00 0.00 C ATOM 1171 OG SER A 78 9.135 0.877 -9.355 1.00 0.00 O ATOM 0 H SER A 78 6.517 0.331 -9.168 1.00 0.00 H new ATOM 0 HA SER A 78 7.769 0.821 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.474 -1.072 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.579 -0.700 -10.601 1.00 0.00 H new ATOM 0 HG SER A 78 9.895 0.684 -8.767 1.00 0.00 H new ATOM 1177 N GLY A 79 6.751 -2.309 -11.306 1.00 0.00 N ATOM 1178 CA GLY A 79 6.493 -3.509 -12.081 1.00 0.00 C ATOM 1179 C GLY A 79 6.965 -4.766 -11.379 1.00 0.00 C ATOM 1180 O GLY A 79 7.699 -5.568 -11.955 1.00 0.00 O ATOM 0 H GLY A 79 6.454 -2.357 -10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.424 -3.587 -12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.991 -3.428 -13.047 1.00 0.00 H new ATOM 1184 N GLU A 80 6.543 -4.939 -10.130 1.00 0.00 N ATOM 1185 CA GLU A 80 6.930 -6.107 -9.348 1.00 0.00 C ATOM 1186 C GLU A 80 5.725 -6.701 -8.624 1.00 0.00 C ATOM 1187 O GLU A 80 4.816 -5.979 -8.216 1.00 0.00 O ATOM 1188 CB GLU A 80 8.015 -5.734 -8.335 1.00 0.00 C ATOM 1189 CG GLU A 80 8.428 -6.885 -7.434 1.00 0.00 C ATOM 1190 CD GLU A 80 9.453 -7.795 -8.083 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.638 -7.409 -8.141 1.00 0.00 O ATOM 1192 OE2 GLU A 80 9.068 -8.895 -8.533 1.00 0.00 O ATOM 0 H GLU A 80 5.933 -4.285 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 80 7.326 -6.856 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.892 -5.371 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.656 -4.911 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.838 -6.486 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.546 -7.468 -7.169 1.00 0.00 H new ATOM 1199 N GLN A 81 5.727 -8.021 -8.470 1.00 0.00 N ATOM 1200 CA GLN A 81 4.633 -8.712 -7.797 1.00 0.00 C ATOM 1201 C GLN A 81 5.142 -9.481 -6.582 1.00 0.00 C ATOM 1202 O GLN A 81 6.258 -10.000 -6.586 1.00 0.00 O ATOM 1203 CB GLN A 81 3.934 -9.668 -8.765 1.00 0.00 C ATOM 1204 CG GLN A 81 2.730 -10.373 -8.160 1.00 0.00 C ATOM 1205 CD GLN A 81 2.372 -11.650 -8.894 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.621 -11.629 -9.870 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.909 -12.771 -8.428 1.00 0.00 N ATOM 0 H GLN A 81 6.473 -8.633 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 81 3.917 -7.964 -7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.614 -9.111 -9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.650 -10.416 -9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.937 -10.605 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.874 -9.698 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.526 -12.742 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.705 -13.661 -8.882 1.00 0.00 H new ATOM 1216 N TYR A 82 4.316 -9.551 -5.544 1.00 0.00 N ATOM 1217 CA TYR A 82 4.683 -10.254 -4.321 1.00 0.00 C ATOM 1218 C TYR A 82 3.701 -11.385 -4.028 1.00 0.00 C ATOM 1219 O TYR A 82 2.494 -11.166 -3.929 1.00 0.00 O ATOM 1220 CB TYR A 82 4.725 -9.282 -3.141 1.00 0.00 C ATOM 1221 CG TYR A 82 6.077 -8.637 -2.936 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.822 -8.180 -4.016 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.611 -8.487 -1.662 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.058 -7.591 -3.834 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.846 -7.898 -1.470 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.566 -7.452 -2.558 1.00 0.00 C ATOM 1227 OH TYR A 82 9.797 -6.866 -2.371 1.00 0.00 O ATOM 0 H TYR A 82 3.387 -9.129 -5.525 1.00 0.00 H new ATOM 0 HA TYR A 82 5.674 -10.684 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.980 -8.502 -3.297 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.444 -9.814 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.428 -8.287 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.051 -8.837 -0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.624 -7.241 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.245 -7.788 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 82 10.007 -6.844 -1.414 1.00 0.00 H new ATOM 1237 N LYS A 83 4.229 -12.596 -3.889 1.00 0.00 N ATOM 1238 CA LYS A 83 3.403 -13.764 -3.604 1.00 0.00 C ATOM 1239 C LYS A 83 3.310 -14.012 -2.102 1.00 0.00 C ATOM 1240 O LYS A 83 4.226 -14.569 -1.497 1.00 0.00 O ATOM 1241 CB LYS A 83 3.974 -15.000 -4.302 1.00 0.00 C ATOM 1242 CG LYS A 83 3.196 -16.273 -4.016 1.00 0.00 C ATOM 1243 CD LYS A 83 3.466 -17.339 -5.064 1.00 0.00 C ATOM 1244 CE LYS A 83 2.571 -17.165 -6.281 1.00 0.00 C ATOM 1245 NZ LYS A 83 3.049 -17.965 -7.442 1.00 0.00 N ATOM 0 H LYS A 83 5.226 -12.795 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 83 2.400 -13.570 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.987 -14.826 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.009 -15.138 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.468 -16.653 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.129 -16.050 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.511 -17.293 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.304 -18.326 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.554 -17.464 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.535 -16.111 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.412 -17.818 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.010 -17.663 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.060 -18.973 -7.188 1.00 0.00 H new ATOM 1259 N LEU A 84 2.198 -13.596 -1.507 1.00 0.00 N ATOM 1260 CA LEU A 84 1.984 -13.774 -0.075 1.00 0.00 C ATOM 1261 C LEU A 84 0.738 -14.613 0.190 1.00 0.00 C ATOM 1262 O LEU A 84 -0.087 -14.816 -0.702 1.00 0.00 O ATOM 1263 CB LEU A 84 1.853 -12.415 0.615 1.00 0.00 C ATOM 1264 CG LEU A 84 2.926 -11.381 0.269 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.629 -10.056 0.953 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.304 -11.890 0.664 1.00 0.00 C ATOM 0 H LEU A 84 1.430 -13.133 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 84 2.847 -14.300 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.878 -11.995 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.865 -12.575 1.693 1.00 0.00 H new ATOM 0 HG LEU A 84 2.915 -11.221 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.402 -9.332 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.660 -9.684 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.612 -10.200 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.055 -11.142 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.328 -12.079 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.518 -12.815 0.128 1.00 0.00 H new ATOM 1278 N ARG A 85 0.607 -15.097 1.420 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.539 -15.913 1.802 1.00 0.00 C ATOM 1280 C ARG A 85 -1.064 -15.505 3.176 1.00 0.00 C ATOM 1281 O ARG A 85 -0.309 -15.442 4.146 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.157 -17.395 1.810 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.171 -18.281 2.515 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.589 -19.649 2.833 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.626 -20.621 3.170 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.383 -21.908 3.391 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -0.145 -22.376 3.314 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.380 -22.730 3.693 1.00 0.00 N ATOM 0 H ARG A 85 1.280 -14.938 2.170 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.328 -15.752 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.041 -17.737 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.812 -17.509 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.497 -17.800 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.054 -18.397 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.020 -20.009 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.109 -19.561 3.665 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.589 -20.293 3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.625 -21.747 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.038 -23.365 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.334 -22.374 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.193 -23.718 3.863 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.362 -15.229 3.249 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.988 -14.828 4.504 1.00 0.00 C ATOM 1304 C ALA A 86 -3.112 -16.011 5.458 1.00 0.00 C ATOM 1305 O ALA A 86 -3.247 -17.157 5.028 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.355 -14.215 4.239 1.00 0.00 C ATOM 0 H ALA A 86 -3.000 -15.276 2.455 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.352 -14.080 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.811 -13.920 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.243 -13.338 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.992 -14.947 3.742 1.00 0.00 H new ATOM 1312 N THR A 87 -3.065 -15.726 6.755 1.00 0.00 N ATOM 1313 CA THR A 87 -3.170 -16.767 7.770 1.00 0.00 C ATOM 1314 C THR A 87 -4.467 -17.553 7.619 1.00 0.00 C ATOM 1315 O THR A 87 -4.473 -18.782 7.703 1.00 0.00 O ATOM 1316 CB THR A 87 -3.106 -16.175 9.191 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.694 -17.181 10.123 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.458 -15.614 9.606 1.00 0.00 C ATOM 0 H THR A 87 -2.955 -14.783 7.128 1.00 0.00 H new ATOM 0 HA THR A 87 -2.322 -17.437 7.624 1.00 0.00 H new ATOM 0 HB THR A 87 -2.379 -15.363 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.654 -16.796 11.023 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.387 -15.202 10.613 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.754 -14.828 8.912 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.202 -16.410 9.591 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.564 -16.839 7.394 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.868 -17.471 7.228 1.00 0.00 C ATOM 1328 C ASP A 88 -7.681 -16.765 6.147 1.00 0.00 C ATOM 1329 O ASP A 88 -7.414 -15.612 5.809 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.636 -17.458 8.551 1.00 0.00 C ATOM 1331 CG ASP A 88 -8.190 -16.087 8.885 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -9.304 -15.768 8.421 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -7.509 -15.333 9.612 1.00 0.00 O ATOM 0 H ASP A 88 -5.577 -15.822 7.322 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.707 -18.504 6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.455 -18.175 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.976 -17.786 9.354 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.673 -17.466 5.607 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.524 -16.906 4.565 1.00 0.00 C ATOM 1340 C ALA A 89 -9.986 -15.499 4.930 1.00 0.00 C ATOM 1341 O ALA A 89 -10.025 -14.608 4.082 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.723 -17.811 4.322 1.00 0.00 C ATOM 0 H ALA A 89 -8.907 -18.422 5.874 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.939 -16.841 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.351 -17.381 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.378 -18.796 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.301 -17.905 5.242 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.336 -15.307 6.197 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.794 -14.008 6.676 1.00 0.00 C ATOM 1350 C LYS A 90 -9.665 -12.983 6.635 1.00 0.00 C ATOM 1351 O LYS A 90 -9.875 -11.831 6.258 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.336 -14.129 8.102 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.433 -13.129 8.423 1.00 0.00 C ATOM 1354 CD LYS A 90 -13.768 -13.558 7.837 1.00 0.00 C ATOM 1355 CE LYS A 90 -14.852 -12.525 8.104 1.00 0.00 C ATOM 1356 NZ LYS A 90 -16.125 -12.864 7.409 1.00 0.00 N ATOM 0 H LYS A 90 -10.311 -16.035 6.911 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.593 -13.668 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.721 -15.138 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.515 -13.994 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.526 -13.024 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.160 -12.150 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.663 -13.708 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.063 -14.516 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.031 -12.456 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.508 -11.545 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.838 -12.136 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.960 -12.905 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.467 -13.788 7.742 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.469 -13.412 7.024 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.307 -12.530 7.031 1.00 0.00 C ATOM 1372 C GLU A 91 -6.994 -12.032 5.623 1.00 0.00 C ATOM 1373 O GLU A 91 -6.290 -11.038 5.447 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.091 -13.257 7.609 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.919 -12.338 7.910 1.00 0.00 C ATOM 1376 CD GLU A 91 -4.999 -11.724 9.294 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -5.484 -12.409 10.219 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -4.578 -10.559 9.452 1.00 0.00 O ATOM 0 H GLU A 91 -8.279 -14.364 7.338 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.539 -11.670 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.386 -13.768 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.769 -14.024 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.989 -12.900 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.885 -11.543 7.165 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.521 -12.732 4.623 1.00 0.00 N ATOM 1386 CA ARG A 92 -7.297 -12.363 3.231 1.00 0.00 C ATOM 1387 C ARG A 92 -7.849 -10.970 2.942 1.00 0.00 C ATOM 1388 O ARG A 92 -7.104 -10.061 2.575 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.949 -13.385 2.298 1.00 0.00 C ATOM 1390 CG ARG A 92 -7.769 -13.066 0.823 1.00 0.00 C ATOM 1391 CD ARG A 92 -8.247 -14.211 -0.057 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.684 -14.439 0.075 1.00 0.00 N ATOM 1393 CZ ARG A 92 -10.350 -15.351 -0.623 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.713 -16.117 -1.498 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.657 -15.499 -0.447 1.00 0.00 N ATOM 0 H ARG A 92 -8.106 -13.558 4.752 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.222 -12.353 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.529 -14.370 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.014 -13.440 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.322 -12.160 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.718 -12.863 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.009 -13.992 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.709 -15.121 0.209 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.204 -13.866 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.708 -16.006 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.227 -16.817 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.151 -14.912 0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.168 -16.200 -0.984 1.00 0.00 H new ATOM 1409 N GLN A 93 -9.158 -10.812 3.109 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.809 -9.530 2.865 1.00 0.00 C ATOM 1411 C GLN A 93 -9.141 -8.418 3.667 1.00 0.00 C ATOM 1412 O GLN A 93 -9.023 -7.285 3.199 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.294 -9.612 3.224 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.551 -9.788 4.711 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.979 -9.457 5.100 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.225 -8.532 5.874 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.929 -10.213 4.562 1.00 0.00 N ATOM 0 H GLN A 93 -9.788 -11.555 3.412 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.710 -9.297 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.792 -8.705 2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.744 -10.445 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.330 -10.817 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.868 -9.150 5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.679 -10.969 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.909 -10.037 4.786 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.704 -8.749 4.878 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.047 -7.778 5.745 1.00 0.00 C ATOM 1428 C HIS A 94 -6.792 -7.219 5.082 1.00 0.00 C ATOM 1429 O HIS A 94 -6.664 -6.009 4.896 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.686 -8.421 7.085 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.232 -7.437 8.119 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -8.082 -6.537 8.725 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -6.009 -7.216 8.654 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.401 -5.803 9.588 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.140 -6.196 9.564 1.00 0.00 N ATOM 0 H HIS A 94 -8.793 -9.682 5.281 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.741 -6.956 5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.553 -8.961 7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.898 -9.157 6.925 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.081 -6.451 8.537 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.099 -7.744 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.806 -5.016 10.207 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.870 -8.107 4.729 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.625 -7.701 4.087 1.00 0.00 C ATOM 1446 C TRP A 95 -4.894 -7.071 2.725 1.00 0.00 C ATOM 1447 O TRP A 95 -4.400 -5.984 2.424 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.692 -8.903 3.930 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.790 -9.112 5.108 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.765 -10.195 5.940 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.783 -8.214 5.586 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.803 -10.024 6.906 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.186 -8.817 6.711 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.325 -6.960 5.173 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.158 -8.207 7.425 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.305 -6.355 5.883 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.270 -6.979 6.998 1.00 0.00 C ATOM 0 H TRP A 95 -5.961 -9.112 4.876 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.145 -6.957 4.722 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.291 -9.801 3.776 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.084 -8.768 3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.407 -11.059 5.852 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.584 -10.688 7.648 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.761 -6.472 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.286 -8.686 8.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.055 -5.385 5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.067 -6.481 7.531 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.682 -7.759 1.904 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.018 -7.265 0.574 1.00 0.00 C ATOM 1470 C VAL A 96 -6.649 -5.879 0.646 1.00 0.00 C ATOM 1471 O VAL A 96 -6.311 -4.991 -0.136 1.00 0.00 O ATOM 1472 CB VAL A 96 -6.985 -8.220 -0.151 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.652 -7.517 -1.323 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.252 -9.469 -0.615 1.00 0.00 C ATOM 0 H VAL A 96 -6.099 -8.660 2.137 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.086 -7.208 0.012 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.763 -8.522 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.331 -8.208 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.213 -6.656 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.891 -7.183 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.950 -10.132 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.452 -9.188 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.827 -9.983 0.247 1.00 0.00 H new ATOM 1484 N SER A 97 -7.567 -5.701 1.591 1.00 0.00 N ATOM 1485 CA SER A 97 -8.248 -4.423 1.763 1.00 0.00 C ATOM 1486 C SER A 97 -7.295 -3.370 2.321 1.00 0.00 C ATOM 1487 O SER A 97 -7.000 -2.372 1.663 1.00 0.00 O ATOM 1488 CB SER A 97 -9.451 -4.583 2.695 1.00 0.00 C ATOM 1489 OG SER A 97 -10.152 -3.360 2.837 1.00 0.00 O ATOM 0 H SER A 97 -7.856 -6.425 2.249 1.00 0.00 H new ATOM 0 HA SER A 97 -8.597 -4.091 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.122 -5.346 2.301 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.114 -4.928 3.672 1.00 0.00 H new ATOM 0 HG SER A 97 -10.917 -3.489 3.436 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.816 -3.601 3.540 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.897 -2.674 4.188 1.00 0.00 C ATOM 1497 C ARG A 98 -4.885 -2.123 3.188 1.00 0.00 C ATOM 1498 O ARG A 98 -4.613 -0.922 3.161 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.168 -3.367 5.340 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.014 -3.520 6.593 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.695 -2.213 6.968 1.00 0.00 C ATOM 1502 NE ARG A 98 -5.840 -1.057 6.711 1.00 0.00 N ATOM 1503 CZ ARG A 98 -6.305 0.175 6.530 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -7.609 0.409 6.580 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -5.464 1.175 6.300 1.00 0.00 N ATOM 0 H ARG A 98 -7.050 -4.422 4.098 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.479 -1.842 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.841 -4.353 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.271 -2.799 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.767 -4.291 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.386 -3.854 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.621 -2.112 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.967 -2.236 8.023 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.831 -1.203 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.258 -0.357 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.963 1.355 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.460 0.999 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.821 2.120 6.161 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.329 -3.009 2.368 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.346 -2.612 1.366 1.00 0.00 C ATOM 1521 C LEU A 99 -4.009 -1.847 0.226 1.00 0.00 C ATOM 1522 O LEU A 99 -3.468 -0.857 -0.267 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.623 -3.843 0.818 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.835 -4.668 1.836 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.779 -6.128 1.412 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.431 -4.106 2.006 1.00 0.00 C ATOM 0 H LEU A 99 -4.542 -4.006 2.378 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.620 -1.955 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.360 -4.493 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.938 -3.518 0.035 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.347 -4.609 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.214 -6.699 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.791 -6.526 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.291 -6.206 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.115 -4.706 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.090 -4.133 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.491 -3.076 2.357 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.183 -2.312 -0.188 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.921 -1.670 -1.270 1.00 0.00 C ATOM 1540 C GLN A 100 -6.314 -0.246 -0.891 1.00 0.00 C ATOM 1541 O GLN A 100 -6.537 0.598 -1.758 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.170 -2.482 -1.616 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.933 -3.538 -2.684 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.223 -4.090 -3.256 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.299 -3.527 -3.048 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.124 -5.198 -3.981 1.00 0.00 N ATOM 0 H GLN A 100 -5.644 -3.131 0.209 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.271 -1.627 -2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.539 -2.967 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.952 -1.803 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.338 -3.107 -3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.350 -4.355 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.212 -5.631 -4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.959 -5.616 -4.391 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.398 0.013 0.410 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.764 1.334 0.903 1.00 0.00 C ATOM 1557 C ILE A 101 -5.529 2.205 1.112 1.00 0.00 C ATOM 1558 O ILE A 101 -5.493 3.361 0.689 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.545 1.245 2.228 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.816 0.413 2.041 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.886 2.637 2.737 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.379 -0.129 3.335 1.00 0.00 C ATOM 0 H ILE A 101 -6.217 -0.675 1.141 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.402 1.787 0.144 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.917 0.753 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.574 1.026 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.600 -0.419 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.438 2.557 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.967 3.199 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.498 3.155 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.278 -0.708 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.638 -0.769 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.627 0.699 3.999 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.519 1.641 1.765 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.281 2.365 2.029 1.00 0.00 C ATOM 1576 C CYS A 102 -2.506 2.607 0.737 1.00 0.00 C ATOM 1577 O CYS A 102 -1.760 3.580 0.621 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.413 1.588 3.020 1.00 0.00 C ATOM 1579 SG CYS A 102 -2.730 1.993 4.754 1.00 0.00 S ATOM 0 H CYS A 102 -4.533 0.685 2.121 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.540 3.331 2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.577 0.521 2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.364 1.783 2.798 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.950 1.284 5.515 1.00 0.00 H new ATOM 1585 N THR A 103 -2.687 1.715 -0.231 1.00 0.00 N ATOM 1586 CA THR A 103 -2.004 1.830 -1.514 1.00 0.00 C ATOM 1587 C THR A 103 -2.552 2.997 -2.326 1.00 0.00 C ATOM 1588 O THR A 103 -1.809 3.670 -3.040 1.00 0.00 O ATOM 1589 CB THR A 103 -2.138 0.536 -2.339 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.271 0.589 -3.477 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.574 0.333 -2.798 1.00 0.00 C ATOM 0 H THR A 103 -3.301 0.904 -0.151 1.00 0.00 H new ATOM 0 HA THR A 103 -0.950 2.006 -1.297 1.00 0.00 H new ATOM 0 HB THR A 103 -1.854 -0.304 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.452 1.073 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.644 -0.587 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.228 0.264 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.881 1.176 -3.416 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.856 3.230 -2.213 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.502 4.317 -2.939 1.00 0.00 C ATOM 1601 C GLN A 104 -4.457 5.612 -2.133 1.00 0.00 C ATOM 1602 O GLN A 104 -4.240 6.691 -2.686 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.953 3.953 -3.259 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.645 4.954 -4.170 1.00 0.00 C ATOM 1605 CD GLN A 104 -7.880 4.380 -4.835 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -9.003 4.796 -4.549 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -7.680 3.419 -5.730 1.00 0.00 N ATOM 0 H GLN A 104 -4.485 2.681 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.959 4.471 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.977 2.970 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.513 3.875 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.925 5.834 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.945 5.286 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.732 3.104 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.474 2.996 -6.210 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.663 5.497 -0.825 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.645 6.659 0.056 1.00 0.00 C ATOM 1618 C HIS A 105 -3.299 7.374 -0.015 1.00 0.00 C ATOM 1619 O HIS A 105 -3.203 8.568 0.274 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.936 6.237 1.497 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.539 7.326 2.330 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.715 7.964 1.997 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.122 7.888 3.488 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.995 8.873 2.915 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -6.044 8.847 3.831 1.00 0.00 N ATOM 0 H HIS A 105 -4.844 4.612 -0.352 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.421 7.349 -0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.612 5.382 1.487 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.009 5.905 1.964 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.230 7.631 4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.855 9.526 2.916 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.001 9.442 4.658 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.262 6.637 -0.400 1.00 0.00 N ATOM 1635 CA HIS A 106 -0.922 7.201 -0.508 1.00 0.00 C ATOM 1636 C HIS A 106 -0.661 7.715 -1.921 1.00 0.00 C ATOM 1637 O HIS A 106 -0.163 8.825 -2.108 1.00 0.00 O ATOM 1638 CB HIS A 106 0.127 6.154 -0.132 1.00 0.00 C ATOM 1639 CG HIS A 106 0.340 6.023 1.345 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.588 6.038 1.930 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.547 5.876 2.357 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.461 5.904 3.238 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.175 5.804 3.523 1.00 0.00 N ATOM 0 H HIS A 106 -2.324 5.648 -0.642 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.851 8.040 0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.176 5.187 -0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.074 6.414 -0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.622 5.825 2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.270 5.880 3.953 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.218 5.692 4.458 1.00 0.00 H new ATOM 1652 N THR A 107 -1.000 6.899 -2.914 1.00 0.00 N ATOM 1653 CA THR A 107 -0.802 7.269 -4.310 1.00 0.00 C ATOM 1654 C THR A 107 -1.611 8.509 -4.670 1.00 0.00 C ATOM 1655 O THR A 107 -1.148 9.367 -5.421 1.00 0.00 O ATOM 1656 CB THR A 107 -1.195 6.120 -5.257 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.492 6.246 -6.499 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.694 6.120 -5.515 1.00 0.00 C ATOM 0 H THR A 107 -1.413 5.977 -2.777 1.00 0.00 H new ATOM 0 HA THR A 107 0.260 7.483 -4.433 1.00 0.00 H new ATOM 0 HB THR A 107 -0.924 5.178 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.746 5.511 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.948 5.300 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.226 5.994 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.985 7.066 -5.972 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.823 8.597 -4.130 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.696 9.734 -4.396 1.00 0.00 C ATOM 1668 C GLU A 108 -3.022 11.044 -3.996 1.00 0.00 C ATOM 1669 O GLU A 108 -3.238 12.081 -4.620 1.00 0.00 O ATOM 1670 CB GLU A 108 -5.018 9.577 -3.642 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.993 8.624 -4.314 1.00 0.00 C ATOM 1672 CD GLU A 108 -7.318 8.533 -3.583 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.357 8.869 -2.381 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -8.316 8.127 -4.214 1.00 0.00 O ATOM 0 H GLU A 108 -3.222 7.895 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.897 9.762 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.811 9.220 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.489 10.555 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.169 8.953 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.545 7.632 -4.371 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.205 10.986 -2.949 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.498 12.165 -2.466 1.00 0.00 C ATOM 1683 C ALA A 109 -0.517 12.684 -3.511 1.00 0.00 C ATOM 1684 O ALA A 109 -0.062 13.826 -3.436 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.771 11.850 -1.167 1.00 0.00 C ATOM 0 H ALA A 109 -2.017 10.135 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.234 12.947 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.247 12.740 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.493 11.535 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.051 11.049 -1.338 1.00 0.00 H new