USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 696 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 72 CYS SG : rot -140:sc= -1.61 USER MOD Set 1.2: A 75 CYS SG : rot 180:sc= -2.97! USER MOD Set 1.3: A 88 HIS : no HD1:sc= -3.24! C(o=-14!,f=-13!) USER MOD Set 1.4: A 89 GLN : amide:sc= 0 K(o=-14,f=-13) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -5.81! C(o=-14!,f=-13!) USER MOD Set 2.1: A 45 CYS SG : rot 180:sc= -1.18 USER MOD Set 2.2: A 48 CYS SG : rot -51:sc= -6.07! USER MOD Set 2.3: A 61 HIS : no HD1:sc= -1.35! C(o=-10!,f=-16!) USER MOD Set 2.4: A 65 CYS SG : rot 50:sc= -1.54 USER MOD Set 3.1: A 19 CYS SG : rot 80:sc= -0.559 USER MOD Set 3.2: A 22 CYS SG : rot -41:sc= 0.266 USER MOD Set 3.3: A 35 HIS : no HD1:sc= -0.656 X(o=-2.3,f=-2.8) USER MOD Set 3.4: A 39 CYS SG : rot -37:sc= -1.34 USER MOD Set 4.1: A 18 GLN : amide:sc= 0.0183 X(o=0.02,f=0) USER MOD Set 4.2: A 25 LYS NZ :NH3+ 179:sc= 0.00168 (180deg=-0.0125) USER MOD Single : A 2 SER OG : rot -37:sc= 0.0821 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.636 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 8:sc= 1.12 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 27 SER OG : rot -31:sc= 0.0434 USER MOD Single : A 28 SER OG : rot 44:sc= 1.29 USER MOD Single : A 32 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.8) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.49! K(o=-2.5!,f=-1.4) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.474 USER MOD Single : A 49 SER OG : rot -56:sc= 0.226 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -111:sc= -1.34 (180deg=-1.51) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 65:sc= 1.13 USER MOD Single : A 76 MET CE :methyl -171:sc= -1.72 (180deg=-1.78) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 84 SER OG : rot -140:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.1) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 96 ASN : amide:sc= -0.881 K(o=-0.88,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.376 -21.531 20.136 1.00 0.00 N ATOM 9 CA SER A 2 2.933 -20.733 18.998 1.00 0.00 C ATOM 10 C SER A 2 1.571 -21.208 18.499 1.00 0.00 C ATOM 11 O SER A 2 1.042 -22.214 18.970 1.00 0.00 O ATOM 12 CB SER A 2 3.958 -20.808 17.866 1.00 0.00 C ATOM 13 OG SER A 2 4.184 -22.150 17.469 1.00 0.00 O ATOM 0 HA SER A 2 2.840 -19.698 19.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.605 -20.228 17.013 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.897 -20.359 18.191 1.00 0.00 H new ATOM 0 HG SER A 2 4.162 -22.732 18.257 1.00 0.00 H new ATOM 19 N SER A 3 1.010 -20.475 17.543 1.00 0.00 N ATOM 20 CA SER A 3 -0.291 -20.817 16.982 1.00 0.00 C ATOM 21 C SER A 3 -0.548 -20.042 15.693 1.00 0.00 C ATOM 22 O SER A 3 0.079 -19.015 15.438 1.00 0.00 O ATOM 23 CB SER A 3 -1.400 -20.526 17.995 1.00 0.00 C ATOM 24 OG SER A 3 -2.543 -21.325 17.744 1.00 0.00 O ATOM 0 H SER A 3 1.436 -19.640 17.141 1.00 0.00 H new ATOM 0 HA SER A 3 -0.290 -21.882 16.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.034 -20.716 19.004 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.672 -19.472 17.948 1.00 0.00 H new ATOM 0 HG SER A 3 -3.236 -21.121 18.406 1.00 0.00 H new ATOM 30 N GLY A 4 -1.475 -20.544 14.883 1.00 0.00 N ATOM 31 CA GLY A 4 -1.800 -19.887 13.630 1.00 0.00 C ATOM 32 C GLY A 4 -2.738 -20.710 12.770 1.00 0.00 C ATOM 33 O GLY A 4 -2.855 -21.922 12.951 1.00 0.00 O ATOM 0 H GLY A 4 -2.007 -21.394 15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.258 -18.920 13.838 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.881 -19.692 13.077 1.00 0.00 H new ATOM 37 N SER A 5 -3.410 -20.051 11.831 1.00 0.00 N ATOM 38 CA SER A 5 -4.347 -20.728 10.943 1.00 0.00 C ATOM 39 C SER A 5 -4.530 -19.945 9.647 1.00 0.00 C ATOM 40 O SER A 5 -4.518 -18.714 9.646 1.00 0.00 O ATOM 41 CB SER A 5 -5.698 -20.912 11.637 1.00 0.00 C ATOM 42 OG SER A 5 -5.685 -22.046 12.486 1.00 0.00 O ATOM 0 H SER A 5 -3.323 -19.048 11.666 1.00 0.00 H new ATOM 0 HA SER A 5 -3.936 -21.708 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.936 -20.021 12.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.483 -21.023 10.889 1.00 0.00 H new ATOM 0 HG SER A 5 -4.763 -22.245 12.753 1.00 0.00 H new ATOM 48 N SER A 6 -4.701 -20.668 8.545 1.00 0.00 N ATOM 49 CA SER A 6 -4.883 -20.043 7.241 1.00 0.00 C ATOM 50 C SER A 6 -5.375 -21.059 6.214 1.00 0.00 C ATOM 51 O SER A 6 -4.904 -22.195 6.175 1.00 0.00 O ATOM 52 CB SER A 6 -3.572 -19.414 6.765 1.00 0.00 C ATOM 53 OG SER A 6 -3.757 -18.703 5.554 1.00 0.00 O ATOM 0 H SER A 6 -4.717 -21.688 8.530 1.00 0.00 H new ATOM 0 HA SER A 6 -5.636 -19.262 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.189 -18.740 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.822 -20.192 6.622 1.00 0.00 H new ATOM 0 HG SER A 6 -2.905 -18.309 5.272 1.00 0.00 H new ATOM 59 N GLY A 7 -6.325 -20.641 5.384 1.00 0.00 N ATOM 60 CA GLY A 7 -6.866 -21.525 4.369 1.00 0.00 C ATOM 61 C GLY A 7 -8.190 -21.036 3.818 1.00 0.00 C ATOM 62 O GLY A 7 -9.080 -20.648 4.576 1.00 0.00 O ATOM 0 H GLY A 7 -6.730 -19.705 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.149 -21.618 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.998 -22.521 4.792 1.00 0.00 H new ATOM 66 N ALA A 8 -8.322 -21.051 2.496 1.00 0.00 N ATOM 67 CA ALA A 8 -9.548 -20.606 1.845 1.00 0.00 C ATOM 68 C ALA A 8 -9.792 -21.373 0.550 1.00 0.00 C ATOM 69 O ALA A 8 -8.939 -22.139 0.101 1.00 0.00 O ATOM 70 CB ALA A 8 -9.486 -19.110 1.571 1.00 0.00 C ATOM 0 H ALA A 8 -7.595 -21.367 1.854 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.381 -20.808 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.408 -18.791 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.367 -18.572 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.639 -18.894 0.920 1.00 0.00 H new ATOM 76 N SER A 9 -10.962 -21.164 -0.045 1.00 0.00 N ATOM 77 CA SER A 9 -11.320 -21.840 -1.286 1.00 0.00 C ATOM 78 C SER A 9 -12.468 -21.119 -1.986 1.00 0.00 C ATOM 79 O SER A 9 -13.441 -20.695 -1.362 1.00 0.00 O ATOM 80 CB SER A 9 -11.710 -23.293 -1.006 1.00 0.00 C ATOM 81 OG SER A 9 -10.566 -24.088 -0.748 1.00 0.00 O ATOM 0 H SER A 9 -11.678 -20.532 0.313 1.00 0.00 H new ATOM 0 HA SER A 9 -10.450 -21.825 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.385 -23.333 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.253 -23.698 -1.860 1.00 0.00 H new ATOM 0 HG SER A 9 -9.775 -23.512 -0.683 1.00 0.00 H new ATOM 87 N PRO A 10 -12.354 -20.976 -3.314 1.00 0.00 N ATOM 88 CA PRO A 10 -13.372 -20.307 -4.129 1.00 0.00 C ATOM 89 C PRO A 10 -14.660 -21.118 -4.229 1.00 0.00 C ATOM 90 O PRO A 10 -14.753 -22.221 -3.691 1.00 0.00 O ATOM 91 CB PRO A 10 -12.706 -20.189 -5.503 1.00 0.00 C ATOM 92 CG PRO A 10 -11.710 -21.296 -5.537 1.00 0.00 C ATOM 93 CD PRO A 10 -11.221 -21.457 -4.124 1.00 0.00 C ATOM 0 HA PRO A 10 -13.671 -19.350 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.436 -20.288 -6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.224 -19.219 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.164 -22.218 -5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.886 -21.059 -6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.978 -22.495 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.320 -20.872 -3.942 1.00 0.00 H new ATOM 101 N VAL A 11 -15.650 -20.564 -4.921 1.00 0.00 N ATOM 102 CA VAL A 11 -16.932 -21.237 -5.092 1.00 0.00 C ATOM 103 C VAL A 11 -17.659 -20.727 -6.332 1.00 0.00 C ATOM 104 O VAL A 11 -17.711 -19.524 -6.581 1.00 0.00 O ATOM 105 CB VAL A 11 -17.838 -21.041 -3.862 1.00 0.00 C ATOM 106 CG1 VAL A 11 -19.183 -21.718 -4.076 1.00 0.00 C ATOM 107 CG2 VAL A 11 -17.158 -21.571 -2.610 1.00 0.00 C ATOM 0 H VAL A 11 -15.589 -19.651 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.718 -22.299 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.013 -19.974 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -19.809 -21.569 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.673 -21.286 -4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.032 -22.785 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.812 -21.424 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.951 -22.634 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.223 -21.035 -2.449 1.00 0.00 H new ATOM 117 N GLU A 12 -18.220 -21.652 -7.105 1.00 0.00 N ATOM 118 CA GLU A 12 -18.944 -21.295 -8.319 1.00 0.00 C ATOM 119 C GLU A 12 -20.015 -20.249 -8.026 1.00 0.00 C ATOM 120 O GLU A 12 -20.471 -20.112 -6.892 1.00 0.00 O ATOM 121 CB GLU A 12 -19.586 -22.538 -8.940 1.00 0.00 C ATOM 122 CG GLU A 12 -20.790 -23.051 -8.169 1.00 0.00 C ATOM 123 CD GLU A 12 -22.069 -22.322 -8.533 1.00 0.00 C ATOM 124 OE1 GLU A 12 -22.284 -22.062 -9.735 1.00 0.00 O ATOM 125 OE2 GLU A 12 -22.856 -22.011 -7.614 1.00 0.00 O ATOM 0 H GLU A 12 -18.187 -22.653 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.231 -20.871 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.890 -22.308 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.840 -23.330 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.915 -24.116 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.606 -22.942 -7.100 1.00 0.00 H new ATOM 199 N TYR A 17 -19.332 -9.340 -11.534 1.00 0.00 N ATOM 200 CA TYR A 17 -18.248 -8.419 -11.856 1.00 0.00 C ATOM 201 C TYR A 17 -17.319 -8.232 -10.660 1.00 0.00 C ATOM 202 O TYR A 17 -17.646 -7.517 -9.713 1.00 0.00 O ATOM 203 CB TYR A 17 -18.813 -7.066 -12.293 1.00 0.00 C ATOM 204 CG TYR A 17 -19.838 -7.168 -13.400 1.00 0.00 C ATOM 205 CD1 TYR A 17 -19.783 -8.196 -14.333 1.00 0.00 C ATOM 206 CD2 TYR A 17 -20.863 -6.236 -13.512 1.00 0.00 C ATOM 207 CE1 TYR A 17 -20.717 -8.292 -15.346 1.00 0.00 C ATOM 208 CE2 TYR A 17 -21.802 -6.325 -14.521 1.00 0.00 C ATOM 209 CZ TYR A 17 -21.724 -7.354 -15.436 1.00 0.00 C ATOM 210 OH TYR A 17 -22.658 -7.447 -16.443 1.00 0.00 O ATOM 0 HA TYR A 17 -17.673 -8.848 -12.677 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -19.268 -6.576 -11.432 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -17.993 -6.429 -12.626 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -18.996 -8.933 -14.265 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -20.926 -5.428 -12.798 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -20.659 -9.097 -16.064 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -22.593 -5.593 -14.593 1.00 0.00 H new ATOM 0 HH TYR A 17 -23.299 -6.710 -16.364 1.00 0.00 H new ATOM 220 N GLN A 18 -16.159 -8.879 -10.713 1.00 0.00 N ATOM 221 CA GLN A 18 -15.182 -8.784 -9.635 1.00 0.00 C ATOM 222 C GLN A 18 -14.114 -7.744 -9.958 1.00 0.00 C ATOM 223 O GLN A 18 -13.773 -7.530 -11.122 1.00 0.00 O ATOM 224 CB GLN A 18 -14.528 -10.145 -9.391 1.00 0.00 C ATOM 225 CG GLN A 18 -15.217 -10.967 -8.313 1.00 0.00 C ATOM 226 CD GLN A 18 -15.090 -12.459 -8.546 1.00 0.00 C ATOM 227 OE1 GLN A 18 -16.042 -13.117 -8.966 1.00 0.00 O ATOM 228 NE2 GLN A 18 -13.909 -13.002 -8.274 1.00 0.00 N ATOM 0 H GLN A 18 -15.873 -9.474 -11.490 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.705 -8.472 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.527 -10.711 -10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.486 -9.993 -9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.789 -10.717 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.273 -10.698 -8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.147 -12.419 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.764 -14.002 -8.412 1.00 0.00 H new ATOM 237 N CYS A 19 -13.590 -7.100 -8.921 1.00 0.00 N ATOM 238 CA CYS A 19 -12.561 -6.082 -9.093 1.00 0.00 C ATOM 239 C CYS A 19 -11.225 -6.716 -9.470 1.00 0.00 C ATOM 240 O CYS A 19 -10.830 -7.737 -8.906 1.00 0.00 O ATOM 241 CB CYS A 19 -12.405 -5.263 -7.811 1.00 0.00 C ATOM 242 SG CYS A 19 -11.102 -3.992 -7.894 1.00 0.00 S ATOM 0 H CYS A 19 -13.861 -7.265 -7.952 1.00 0.00 H new ATOM 0 HA CYS A 19 -12.871 -5.422 -9.903 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.355 -4.780 -7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.186 -5.939 -6.985 1.00 0.00 H new ATOM 0 HG CYS A 19 -11.552 -2.950 -8.528 1.00 0.00 H new ATOM 247 N ARG A 20 -10.535 -6.105 -10.427 1.00 0.00 N ATOM 248 CA ARG A 20 -9.244 -6.609 -10.880 1.00 0.00 C ATOM 249 C ARG A 20 -8.119 -6.115 -9.975 1.00 0.00 C ATOM 250 O ARG A 20 -6.957 -6.070 -10.380 1.00 0.00 O ATOM 251 CB ARG A 20 -8.981 -6.175 -12.323 1.00 0.00 C ATOM 252 CG ARG A 20 -9.901 -6.837 -13.336 1.00 0.00 C ATOM 253 CD ARG A 20 -9.709 -8.345 -13.361 1.00 0.00 C ATOM 254 NE ARG A 20 -9.999 -8.912 -14.675 1.00 0.00 N ATOM 255 CZ ARG A 20 -9.845 -10.197 -14.972 1.00 0.00 C ATOM 256 NH1 ARG A 20 -9.406 -11.045 -14.052 1.00 0.00 N ATOM 257 NH2 ARG A 20 -10.131 -10.637 -16.190 1.00 0.00 N ATOM 0 H ARG A 20 -10.848 -5.260 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.271 -7.698 -10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.094 -5.093 -12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.947 -6.405 -12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.938 -6.605 -13.093 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.707 -6.428 -14.327 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.683 -8.584 -13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.358 -8.805 -12.616 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.339 -8.286 -15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.186 -10.711 -13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.289 -12.032 -14.282 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.470 -9.988 -16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.012 -11.624 -16.417 1.00 0.00 H new ATOM 271 N LEU A 21 -8.472 -5.746 -8.749 1.00 0.00 N ATOM 272 CA LEU A 21 -7.493 -5.254 -7.786 1.00 0.00 C ATOM 273 C LEU A 21 -7.559 -6.051 -6.487 1.00 0.00 C ATOM 274 O LEU A 21 -6.531 -6.446 -5.936 1.00 0.00 O ATOM 275 CB LEU A 21 -7.730 -3.770 -7.500 1.00 0.00 C ATOM 276 CG LEU A 21 -7.979 -2.883 -8.721 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.436 -1.498 -8.289 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.724 -2.790 -9.577 1.00 0.00 C ATOM 0 H LEU A 21 -9.429 -5.778 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.500 -5.380 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.586 -3.682 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.865 -3.381 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.770 -3.334 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.608 -0.880 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.361 -1.582 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.667 -1.038 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.919 -2.155 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.913 -2.362 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.440 -3.786 -9.916 1.00 0.00 H new ATOM 290 N CYS A 22 -8.774 -6.286 -6.004 1.00 0.00 N ATOM 291 CA CYS A 22 -8.976 -7.037 -4.771 1.00 0.00 C ATOM 292 C CYS A 22 -9.859 -8.257 -5.016 1.00 0.00 C ATOM 293 O CYS A 22 -10.020 -9.105 -4.140 1.00 0.00 O ATOM 294 CB CYS A 22 -9.607 -6.143 -3.702 1.00 0.00 C ATOM 295 SG CYS A 22 -11.133 -5.306 -4.239 1.00 0.00 S ATOM 0 H CYS A 22 -9.635 -5.967 -6.448 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.003 -7.379 -4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.827 -6.747 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.880 -5.390 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 22 -10.994 -4.893 -5.464 1.00 0.00 H new ATOM 300 N ASN A 23 -10.429 -8.337 -6.214 1.00 0.00 N ATOM 301 CA ASN A 23 -11.296 -9.453 -6.575 1.00 0.00 C ATOM 302 C ASN A 23 -12.558 -9.461 -5.716 1.00 0.00 C ATOM 303 O ASN A 23 -12.943 -10.495 -5.171 1.00 0.00 O ATOM 304 CB ASN A 23 -10.549 -10.779 -6.416 1.00 0.00 C ATOM 305 CG ASN A 23 -9.263 -10.817 -7.218 1.00 0.00 C ATOM 306 OD1 ASN A 23 -8.236 -10.288 -6.792 1.00 0.00 O ATOM 307 ND2 ASN A 23 -9.314 -11.445 -8.387 1.00 0.00 N ATOM 0 H ASN A 23 -10.306 -7.643 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.588 -9.331 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.322 -10.941 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.196 -11.598 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.480 -11.503 -8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.187 -11.869 -8.700 1.00 0.00 H new ATOM 314 N ALA A 24 -13.196 -8.301 -5.602 1.00 0.00 N ATOM 315 CA ALA A 24 -14.415 -8.175 -4.813 1.00 0.00 C ATOM 316 C ALA A 24 -15.644 -8.082 -5.711 1.00 0.00 C ATOM 317 O ALA A 24 -15.708 -7.242 -6.608 1.00 0.00 O ATOM 318 CB ALA A 24 -14.331 -6.958 -3.903 1.00 0.00 C ATOM 0 H ALA A 24 -12.889 -7.435 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.514 -9.069 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.248 -6.876 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.481 -7.065 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.204 -6.060 -4.507 1.00 0.00 H new ATOM 324 N LYS A 25 -16.618 -8.952 -5.465 1.00 0.00 N ATOM 325 CA LYS A 25 -17.846 -8.969 -6.251 1.00 0.00 C ATOM 326 C LYS A 25 -18.566 -7.626 -6.164 1.00 0.00 C ATOM 327 O LYS A 25 -18.872 -7.143 -5.073 1.00 0.00 O ATOM 328 CB LYS A 25 -18.771 -10.087 -5.766 1.00 0.00 C ATOM 329 CG LYS A 25 -18.323 -11.474 -6.192 1.00 0.00 C ATOM 330 CD LYS A 25 -19.423 -12.503 -5.986 1.00 0.00 C ATOM 331 CE LYS A 25 -18.849 -13.890 -5.740 1.00 0.00 C ATOM 332 NZ LYS A 25 -18.050 -14.373 -6.900 1.00 0.00 N ATOM 0 H LYS A 25 -16.580 -9.655 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.579 -9.152 -7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.831 -10.052 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.776 -9.906 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.032 -11.457 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.441 -11.764 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.044 -12.209 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -20.070 -12.526 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.221 -13.870 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.661 -14.589 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.662 -15.314 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.659 -14.432 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.270 -13.711 -7.084 1.00 0.00 H new ATOM 346 N LEU A 26 -18.834 -7.029 -7.320 1.00 0.00 N ATOM 347 CA LEU A 26 -19.520 -5.742 -7.375 1.00 0.00 C ATOM 348 C LEU A 26 -21.029 -5.934 -7.489 1.00 0.00 C ATOM 349 O LEU A 26 -21.525 -7.060 -7.469 1.00 0.00 O ATOM 350 CB LEU A 26 -19.008 -4.920 -8.559 1.00 0.00 C ATOM 351 CG LEU A 26 -17.803 -4.021 -8.280 1.00 0.00 C ATOM 352 CD1 LEU A 26 -17.984 -3.277 -6.966 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.520 -4.839 -8.260 1.00 0.00 C ATOM 0 H LEU A 26 -18.587 -7.415 -8.231 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.310 -5.206 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.746 -5.605 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.825 -4.297 -8.923 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.729 -3.286 -9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.116 -2.642 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.881 -2.660 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.085 -3.995 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.673 -4.183 -8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.584 -5.597 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.383 -5.324 -9.226 1.00 0.00 H new ATOM 365 N SER A 27 -21.753 -4.826 -7.609 1.00 0.00 N ATOM 366 CA SER A 27 -23.206 -4.872 -7.725 1.00 0.00 C ATOM 367 C SER A 27 -23.645 -4.617 -9.164 1.00 0.00 C ATOM 368 O SER A 27 -24.785 -4.896 -9.535 1.00 0.00 O ATOM 369 CB SER A 27 -23.845 -3.839 -6.794 1.00 0.00 C ATOM 370 OG SER A 27 -25.253 -3.994 -6.752 1.00 0.00 O ATOM 0 H SER A 27 -21.358 -3.886 -7.628 1.00 0.00 H new ATOM 0 HA SER A 27 -23.538 -5.869 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.434 -3.946 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.596 -2.834 -7.135 1.00 0.00 H new ATOM 0 HG SER A 27 -25.571 -4.328 -7.616 1.00 0.00 H new ATOM 376 N SER A 28 -22.731 -4.085 -9.969 1.00 0.00 N ATOM 377 CA SER A 28 -23.024 -3.788 -11.366 1.00 0.00 C ATOM 378 C SER A 28 -21.761 -3.357 -12.106 1.00 0.00 C ATOM 379 O SER A 28 -20.754 -3.008 -11.489 1.00 0.00 O ATOM 380 CB SER A 28 -24.086 -2.691 -11.465 1.00 0.00 C ATOM 381 OG SER A 28 -25.391 -3.242 -11.446 1.00 0.00 O ATOM 0 H SER A 28 -21.782 -3.851 -9.678 1.00 0.00 H new ATOM 0 HA SER A 28 -23.406 -4.696 -11.832 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.971 -1.993 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 28 -23.941 -2.122 -12.383 1.00 0.00 H new ATOM 0 HG SER A 28 -25.444 -3.932 -10.753 1.00 0.00 H new ATOM 387 N LEU A 29 -21.822 -3.384 -13.433 1.00 0.00 N ATOM 388 CA LEU A 29 -20.684 -2.997 -14.259 1.00 0.00 C ATOM 389 C LEU A 29 -20.123 -1.649 -13.816 1.00 0.00 C ATOM 390 O LEU A 29 -18.907 -1.466 -13.738 1.00 0.00 O ATOM 391 CB LEU A 29 -21.096 -2.932 -15.731 1.00 0.00 C ATOM 392 CG LEU A 29 -20.004 -3.264 -16.749 1.00 0.00 C ATOM 393 CD1 LEU A 29 -19.671 -4.748 -16.710 1.00 0.00 C ATOM 394 CD2 LEU A 29 -20.435 -2.849 -18.148 1.00 0.00 C ATOM 0 H LEU A 29 -22.647 -3.670 -13.960 1.00 0.00 H new ATOM 0 HA LEU A 29 -19.906 -3.751 -14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -21.929 -3.618 -15.885 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.467 -1.928 -15.940 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.107 -2.704 -16.486 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.892 -4.965 -17.441 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.319 -5.016 -15.714 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -20.563 -5.327 -16.947 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.646 -3.093 -18.859 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.346 -3.381 -18.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.622 -1.775 -18.168 1.00 0.00 H new ATOM 406 N LEU A 30 -21.016 -0.710 -13.526 1.00 0.00 N ATOM 407 CA LEU A 30 -20.611 0.622 -13.088 1.00 0.00 C ATOM 408 C LEU A 30 -19.774 0.545 -11.815 1.00 0.00 C ATOM 409 O LEU A 30 -18.620 0.971 -11.793 1.00 0.00 O ATOM 410 CB LEU A 30 -21.841 1.499 -12.852 1.00 0.00 C ATOM 411 CG LEU A 30 -21.651 2.998 -13.081 1.00 0.00 C ATOM 412 CD1 LEU A 30 -21.408 3.286 -14.555 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.860 3.773 -12.577 1.00 0.00 C ATOM 0 H LEU A 30 -22.025 -0.845 -13.586 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.002 1.067 -13.875 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.641 1.151 -13.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.178 1.348 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.776 3.324 -12.519 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.275 4.358 -14.699 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.511 2.761 -14.885 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.263 2.945 -15.138 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.707 4.838 -12.748 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.751 3.444 -13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.989 3.592 -11.510 1.00 0.00 H new ATOM 425 N GLU A 31 -20.365 -0.002 -10.757 1.00 0.00 N ATOM 426 CA GLU A 31 -19.673 -0.136 -9.481 1.00 0.00 C ATOM 427 C GLU A 31 -18.240 -0.620 -9.686 1.00 0.00 C ATOM 428 O GLU A 31 -17.352 -0.317 -8.890 1.00 0.00 O ATOM 429 CB GLU A 31 -20.424 -1.106 -8.567 1.00 0.00 C ATOM 430 CG GLU A 31 -20.398 -0.706 -7.101 1.00 0.00 C ATOM 431 CD GLU A 31 -21.494 0.280 -6.746 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.585 0.197 -7.347 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.259 1.135 -5.866 1.00 0.00 O ATOM 0 H GLU A 31 -21.320 -0.359 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.642 0.846 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.460 -1.175 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -19.990 -2.100 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.503 -1.598 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.429 -0.267 -6.865 1.00 0.00 H new ATOM 440 N GLN A 32 -18.025 -1.373 -10.760 1.00 0.00 N ATOM 441 CA GLN A 32 -16.701 -1.900 -11.070 1.00 0.00 C ATOM 442 C GLN A 32 -15.781 -0.795 -11.578 1.00 0.00 C ATOM 443 O GLN A 32 -14.696 -0.580 -11.040 1.00 0.00 O ATOM 444 CB GLN A 32 -16.804 -3.014 -12.113 1.00 0.00 C ATOM 445 CG GLN A 32 -15.567 -3.895 -12.185 1.00 0.00 C ATOM 446 CD GLN A 32 -15.678 -4.971 -13.248 1.00 0.00 C ATOM 447 OE1 GLN A 32 -16.646 -5.011 -14.008 1.00 0.00 O ATOM 448 NE2 GLN A 32 -14.686 -5.851 -13.306 1.00 0.00 N ATOM 0 H GLN A 32 -18.750 -1.632 -11.429 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.276 -2.309 -10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.670 -3.635 -11.885 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.980 -2.569 -13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.695 -3.274 -12.391 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.402 -4.364 -11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.903 -5.780 -12.656 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.707 -6.598 -14.000 1.00 0.00 H new ATOM 457 N GLY A 33 -16.222 -0.096 -12.620 1.00 0.00 N ATOM 458 CA GLY A 33 -15.425 0.978 -13.184 1.00 0.00 C ATOM 459 C GLY A 33 -15.178 2.098 -12.193 1.00 0.00 C ATOM 460 O GLY A 33 -14.196 2.831 -12.307 1.00 0.00 O ATOM 0 H GLY A 33 -17.117 -0.254 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.469 0.578 -13.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.931 1.379 -14.062 1.00 0.00 H new ATOM 464 N SER A 34 -16.072 2.232 -11.219 1.00 0.00 N ATOM 465 CA SER A 34 -15.949 3.275 -10.207 1.00 0.00 C ATOM 466 C SER A 34 -15.116 2.789 -9.024 1.00 0.00 C ATOM 467 O SER A 34 -14.148 3.437 -8.624 1.00 0.00 O ATOM 468 CB SER A 34 -17.333 3.713 -9.724 1.00 0.00 C ATOM 469 OG SER A 34 -17.846 4.760 -10.528 1.00 0.00 O ATOM 0 H SER A 34 -16.889 1.632 -11.109 1.00 0.00 H new ATOM 0 HA SER A 34 -15.443 4.128 -10.660 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.016 2.864 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.272 4.043 -8.687 1.00 0.00 H new ATOM 0 HG SER A 34 -18.732 5.021 -10.200 1.00 0.00 H new ATOM 475 N HIS A 35 -15.499 1.643 -8.470 1.00 0.00 N ATOM 476 CA HIS A 35 -14.787 1.069 -7.333 1.00 0.00 C ATOM 477 C HIS A 35 -13.287 1.010 -7.605 1.00 0.00 C ATOM 478 O HIS A 35 -12.481 0.949 -6.677 1.00 0.00 O ATOM 479 CB HIS A 35 -15.318 -0.332 -7.028 1.00 0.00 C ATOM 480 CG HIS A 35 -14.437 -1.118 -6.106 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.639 -1.180 -4.743 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.347 -1.879 -6.358 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.710 -1.944 -4.197 1.00 0.00 C ATOM 484 NE2 HIS A 35 -12.914 -2.381 -5.156 1.00 0.00 N ATOM 0 H HIS A 35 -16.297 1.094 -8.789 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.956 1.710 -6.468 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.310 -0.247 -6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.432 -0.880 -7.963 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.901 -2.058 -7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.617 -2.172 -3.146 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.108 -2.992 -5.025 1.00 0.00 H new ATOM 492 N GLU A 36 -12.921 1.026 -8.883 1.00 0.00 N ATOM 493 CA GLU A 36 -11.517 0.973 -9.275 1.00 0.00 C ATOM 494 C GLU A 36 -10.825 2.305 -9.002 1.00 0.00 C ATOM 495 O GLU A 36 -9.623 2.350 -8.740 1.00 0.00 O ATOM 496 CB GLU A 36 -11.393 0.615 -10.757 1.00 0.00 C ATOM 497 CG GLU A 36 -11.409 -0.881 -11.026 1.00 0.00 C ATOM 498 CD GLU A 36 -10.601 -1.262 -12.251 1.00 0.00 C ATOM 499 OE1 GLU A 36 -9.659 -0.518 -12.595 1.00 0.00 O ATOM 500 OE2 GLU A 36 -10.911 -2.304 -12.865 1.00 0.00 O ATOM 0 H GLU A 36 -13.576 1.075 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.028 0.202 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.211 1.083 -11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.466 1.036 -11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.014 -1.407 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.439 -1.212 -11.158 1.00 0.00 H new ATOM 507 N ARG A 37 -11.592 3.388 -9.067 1.00 0.00 N ATOM 508 CA ARG A 37 -11.053 4.722 -8.829 1.00 0.00 C ATOM 509 C ARG A 37 -10.618 4.880 -7.375 1.00 0.00 C ATOM 510 O ARG A 37 -9.569 5.460 -7.090 1.00 0.00 O ATOM 511 CB ARG A 37 -12.094 5.786 -9.180 1.00 0.00 C ATOM 512 CG ARG A 37 -12.958 6.205 -8.001 1.00 0.00 C ATOM 513 CD ARG A 37 -13.846 7.388 -8.354 1.00 0.00 C ATOM 514 NE ARG A 37 -14.610 7.861 -7.203 1.00 0.00 N ATOM 515 CZ ARG A 37 -15.561 8.786 -7.282 1.00 0.00 C ATOM 516 NH1 ARG A 37 -15.863 9.333 -8.451 1.00 0.00 N ATOM 517 NH2 ARG A 37 -16.212 9.164 -6.189 1.00 0.00 N ATOM 0 H ARG A 37 -12.589 3.368 -9.282 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.180 4.854 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.584 6.664 -9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.737 5.405 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.577 5.365 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.321 6.466 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.231 8.201 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.532 7.101 -9.151 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.402 7.460 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.365 9.044 -9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.593 10.043 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.982 8.745 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.942 9.874 -6.250 1.00 0.00 H new ATOM 531 N LEU A 38 -11.430 4.363 -6.460 1.00 0.00 N ATOM 532 CA LEU A 38 -11.129 4.448 -5.035 1.00 0.00 C ATOM 533 C LEU A 38 -10.209 3.310 -4.604 1.00 0.00 C ATOM 534 O LEU A 38 -9.368 3.478 -3.720 1.00 0.00 O ATOM 535 CB LEU A 38 -12.422 4.411 -4.218 1.00 0.00 C ATOM 536 CG LEU A 38 -13.572 3.601 -4.818 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.356 2.894 -3.723 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.488 4.501 -5.635 1.00 0.00 C ATOM 0 H LEU A 38 -12.302 3.881 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.618 5.393 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.194 4.005 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.764 5.435 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.151 2.845 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.170 2.323 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.695 2.219 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.766 3.633 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.301 3.908 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.900 5.279 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.920 4.961 -6.443 1.00 0.00 H new ATOM 550 N CYS A 39 -10.373 2.152 -5.235 1.00 0.00 N ATOM 551 CA CYS A 39 -9.556 0.987 -4.920 1.00 0.00 C ATOM 552 C CYS A 39 -8.163 1.117 -5.528 1.00 0.00 C ATOM 553 O CYS A 39 -7.369 0.177 -5.495 1.00 0.00 O ATOM 554 CB CYS A 39 -10.230 -0.288 -5.431 1.00 0.00 C ATOM 555 SG CYS A 39 -9.323 -1.818 -5.039 1.00 0.00 S ATOM 0 H CYS A 39 -11.065 1.996 -5.968 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.456 0.928 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.231 -0.353 -5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.348 -0.215 -6.512 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.045 -1.602 -5.137 1.00 0.00 H new ATOM 560 N ARG A 40 -7.873 2.290 -6.083 1.00 0.00 N ATOM 561 CA ARG A 40 -6.577 2.544 -6.699 1.00 0.00 C ATOM 562 C ARG A 40 -5.782 3.567 -5.893 1.00 0.00 C ATOM 563 O ARG A 40 -4.556 3.498 -5.820 1.00 0.00 O ATOM 564 CB ARG A 40 -6.759 3.040 -8.135 1.00 0.00 C ATOM 565 CG ARG A 40 -6.857 1.921 -9.159 1.00 0.00 C ATOM 566 CD ARG A 40 -7.162 2.461 -10.547 1.00 0.00 C ATOM 567 NE ARG A 40 -7.049 1.427 -11.573 1.00 0.00 N ATOM 568 CZ ARG A 40 -7.409 1.607 -12.839 1.00 0.00 C ATOM 569 NH1 ARG A 40 -7.901 2.773 -13.233 1.00 0.00 N ATOM 570 NH2 ARG A 40 -7.276 0.618 -13.714 1.00 0.00 N ATOM 0 H ARG A 40 -8.519 3.079 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.020 1.607 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.661 3.649 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.921 3.687 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.920 1.364 -9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.637 1.220 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.169 2.877 -10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.477 3.277 -10.777 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.673 0.518 -11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.004 3.535 -12.563 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.176 2.908 -14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.897 -0.280 -13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.552 0.756 -14.686 1.00 0.00 H new ATOM 584 N ASN A 41 -6.491 4.516 -5.290 1.00 0.00 N ATOM 585 CA ASN A 41 -5.852 5.555 -4.490 1.00 0.00 C ATOM 586 C ASN A 41 -5.954 5.236 -3.002 1.00 0.00 C ATOM 587 O ASN A 41 -5.084 5.607 -2.215 1.00 0.00 O ATOM 588 CB ASN A 41 -6.492 6.915 -4.777 1.00 0.00 C ATOM 589 CG ASN A 41 -7.758 7.139 -3.973 1.00 0.00 C ATOM 590 OD1 ASN A 41 -8.865 7.068 -4.506 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.599 7.410 -2.683 1.00 0.00 N ATOM 0 H ASN A 41 -7.507 4.587 -5.340 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.798 5.592 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.776 7.705 -4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.722 6.988 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.414 7.569 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.662 7.459 -2.284 1.00 0.00 H new ATOM 598 N ALA A 42 -7.024 4.544 -2.623 1.00 0.00 N ATOM 599 CA ALA A 42 -7.239 4.172 -1.230 1.00 0.00 C ATOM 600 C ALA A 42 -5.917 3.882 -0.529 1.00 0.00 C ATOM 601 O ALA A 42 -5.564 4.542 0.449 1.00 0.00 O ATOM 602 CB ALA A 42 -8.161 2.964 -1.143 1.00 0.00 C ATOM 0 H ALA A 42 -7.755 4.230 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.712 5.014 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.313 2.697 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.121 3.205 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.710 2.123 -1.670 1.00 0.00 H new ATOM 608 N ALA A 43 -5.189 2.891 -1.033 1.00 0.00 N ATOM 609 CA ALA A 43 -3.904 2.516 -0.456 1.00 0.00 C ATOM 610 C ALA A 43 -2.803 2.530 -1.510 1.00 0.00 C ATOM 611 O ALA A 43 -2.657 1.583 -2.283 1.00 0.00 O ATOM 612 CB ALA A 43 -3.999 1.143 0.193 1.00 0.00 C ATOM 0 H ALA A 43 -5.468 2.333 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.648 3.251 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.033 0.875 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.751 1.165 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.282 0.405 -0.557 1.00 0.00 H new ATOM 618 N VAL A 44 -2.029 3.610 -1.536 1.00 0.00 N ATOM 619 CA VAL A 44 -0.940 3.748 -2.496 1.00 0.00 C ATOM 620 C VAL A 44 0.396 3.942 -1.787 1.00 0.00 C ATOM 621 O VAL A 44 0.697 5.029 -1.293 1.00 0.00 O ATOM 622 CB VAL A 44 -1.179 4.932 -3.451 1.00 0.00 C ATOM 623 CG1 VAL A 44 -0.036 5.054 -4.447 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.510 4.776 -4.170 1.00 0.00 C ATOM 0 H VAL A 44 -2.136 4.403 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.910 2.825 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.216 5.849 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.223 5.896 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.899 5.216 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.036 4.137 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.663 5.622 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.506 3.851 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.317 4.743 -3.438 1.00 0.00 H new ATOM 634 N CYS A 45 1.195 2.881 -1.741 1.00 0.00 N ATOM 635 CA CYS A 45 2.499 2.933 -1.092 1.00 0.00 C ATOM 636 C CYS A 45 3.419 3.923 -1.801 1.00 0.00 C ATOM 637 O CYS A 45 3.743 3.774 -2.979 1.00 0.00 O ATOM 638 CB CYS A 45 3.141 1.545 -1.078 1.00 0.00 C ATOM 639 SG CYS A 45 4.701 1.456 -0.142 1.00 0.00 S ATOM 0 H CYS A 45 0.962 1.974 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 45 2.353 3.269 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.433 0.834 -0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.328 1.233 -2.105 1.00 0.00 H new ATOM 0 HG CYS A 45 5.166 0.243 -0.187 1.00 0.00 H new ATOM 644 N PRO A 46 3.852 4.959 -1.067 1.00 0.00 N ATOM 645 CA PRO A 46 4.741 5.994 -1.603 1.00 0.00 C ATOM 646 C PRO A 46 6.148 5.468 -1.868 1.00 0.00 C ATOM 647 O PRO A 46 7.050 6.230 -2.215 1.00 0.00 O ATOM 648 CB PRO A 46 4.765 7.050 -0.496 1.00 0.00 C ATOM 649 CG PRO A 46 4.448 6.299 0.751 1.00 0.00 C ATOM 650 CD PRO A 46 3.506 5.200 0.344 1.00 0.00 C ATOM 0 HA PRO A 46 4.393 6.373 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.740 7.533 -0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.032 7.835 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.353 5.891 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.989 6.952 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.646 4.305 0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.465 5.501 0.457 1.00 0.00 H new ATOM 658 N TYR A 47 6.327 4.162 -1.704 1.00 0.00 N ATOM 659 CA TYR A 47 7.625 3.535 -1.923 1.00 0.00 C ATOM 660 C TYR A 47 7.667 2.830 -3.275 1.00 0.00 C ATOM 661 O TYR A 47 8.462 3.181 -4.148 1.00 0.00 O ATOM 662 CB TYR A 47 7.929 2.537 -0.805 1.00 0.00 C ATOM 663 CG TYR A 47 7.860 3.140 0.580 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.170 4.478 0.793 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.485 2.372 1.676 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.109 5.033 2.057 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.420 2.919 2.942 1.00 0.00 C ATOM 668 CZ TYR A 47 7.733 4.249 3.128 1.00 0.00 C ATOM 669 OH TYR A 47 7.671 4.798 4.389 1.00 0.00 O ATOM 0 H TYR A 47 5.590 3.517 -1.420 1.00 0.00 H new ATOM 0 HA TYR A 47 8.384 4.318 -1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.223 1.709 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.924 2.121 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.464 5.094 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.240 1.330 1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.354 6.074 2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.125 2.308 3.783 1.00 0.00 H new ATOM 0 HH TYR A 47 7.389 4.113 5.031 1.00 0.00 H new ATOM 679 N CYS A 48 6.806 1.832 -3.442 1.00 0.00 N ATOM 680 CA CYS A 48 6.742 1.076 -4.686 1.00 0.00 C ATOM 681 C CYS A 48 5.562 1.532 -5.541 1.00 0.00 C ATOM 682 O CYS A 48 5.446 1.156 -6.707 1.00 0.00 O ATOM 683 CB CYS A 48 6.625 -0.421 -4.392 1.00 0.00 C ATOM 684 SG CYS A 48 5.202 -0.863 -3.343 1.00 0.00 S ATOM 0 H CYS A 48 6.142 1.528 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 48 7.662 1.260 -5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.549 -0.961 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.540 -0.758 -3.905 1.00 0.00 H new ATOM 0 HG CYS A 48 5.198 -0.115 -2.280 1.00 0.00 H new ATOM 689 N SER A 49 4.691 2.343 -4.951 1.00 0.00 N ATOM 690 CA SER A 49 3.518 2.848 -5.656 1.00 0.00 C ATOM 691 C SER A 49 2.513 1.729 -5.909 1.00 0.00 C ATOM 692 O SER A 49 2.003 1.575 -7.019 1.00 0.00 O ATOM 693 CB SER A 49 3.931 3.488 -6.983 1.00 0.00 C ATOM 694 OG SER A 49 2.852 4.200 -7.563 1.00 0.00 O ATOM 0 H SER A 49 4.775 2.665 -3.987 1.00 0.00 H new ATOM 0 HA SER A 49 3.044 3.603 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.770 4.164 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.273 2.716 -7.672 1.00 0.00 H new ATOM 0 HG SER A 49 2.083 3.601 -7.666 1.00 0.00 H new ATOM 700 N LEU A 50 2.233 0.948 -4.871 1.00 0.00 N ATOM 701 CA LEU A 50 1.288 -0.158 -4.978 1.00 0.00 C ATOM 702 C LEU A 50 -0.150 0.344 -4.906 1.00 0.00 C ATOM 703 O LEU A 50 -0.395 1.550 -4.856 1.00 0.00 O ATOM 704 CB LEU A 50 1.540 -1.180 -3.868 1.00 0.00 C ATOM 705 CG LEU A 50 2.457 -2.349 -4.227 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.067 -2.954 -2.972 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.693 -3.405 -5.013 1.00 0.00 C ATOM 0 H LEU A 50 2.647 1.060 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 50 1.437 -0.637 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.968 -0.658 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.579 -1.583 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 50 3.265 -1.972 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.717 -3.785 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.649 -2.196 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.273 -3.316 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.362 -4.230 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.864 -3.778 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.305 -2.965 -5.932 1.00 0.00 H new ATOM 719 N ARG A 51 -1.098 -0.587 -4.899 1.00 0.00 N ATOM 720 CA ARG A 51 -2.512 -0.239 -4.831 1.00 0.00 C ATOM 721 C ARG A 51 -3.306 -1.326 -4.113 1.00 0.00 C ATOM 722 O ARG A 51 -3.561 -2.394 -4.670 1.00 0.00 O ATOM 723 CB ARG A 51 -3.074 -0.026 -6.238 1.00 0.00 C ATOM 724 CG ARG A 51 -2.442 1.142 -6.976 1.00 0.00 C ATOM 725 CD ARG A 51 -2.812 1.134 -8.451 1.00 0.00 C ATOM 726 NE ARG A 51 -2.333 -0.067 -9.130 1.00 0.00 N ATOM 727 CZ ARG A 51 -2.126 -0.138 -10.440 1.00 0.00 C ATOM 728 NH1 ARG A 51 -2.354 0.918 -11.209 1.00 0.00 N ATOM 729 NH2 ARG A 51 -1.689 -1.267 -10.983 1.00 0.00 N ATOM 0 H ARG A 51 -0.912 -1.589 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.606 0.688 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.926 -0.935 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.149 0.138 -6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.767 2.079 -6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.358 1.096 -6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.895 1.200 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.392 2.016 -8.935 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.147 -0.897 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.689 1.788 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.194 0.861 -12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.512 -2.081 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.530 -1.321 -11.989 1.00 0.00 H new ATOM 743 N PHE A 52 -3.693 -1.047 -2.873 1.00 0.00 N ATOM 744 CA PHE A 52 -4.457 -2.001 -2.077 1.00 0.00 C ATOM 745 C PHE A 52 -5.914 -1.564 -1.955 1.00 0.00 C ATOM 746 O PHE A 52 -6.267 -0.438 -2.305 1.00 0.00 O ATOM 747 CB PHE A 52 -3.838 -2.148 -0.686 1.00 0.00 C ATOM 748 CG PHE A 52 -2.367 -2.450 -0.713 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.448 -1.456 -1.006 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.903 -3.728 -0.445 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.093 -1.731 -1.032 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.550 -4.010 -0.470 1.00 0.00 C ATOM 753 CZ PHE A 52 0.356 -3.010 -0.763 1.00 0.00 C ATOM 0 H PHE A 52 -3.490 -0.168 -2.397 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.427 -2.966 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.002 -1.228 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.354 -2.944 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.794 -0.455 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.607 -4.513 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.613 -0.947 -1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.202 -5.011 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.414 -3.227 -0.782 1.00 0.00 H new ATOM 763 N PHE A 53 -6.755 -2.463 -1.455 1.00 0.00 N ATOM 764 CA PHE A 53 -8.174 -2.172 -1.287 1.00 0.00 C ATOM 765 C PHE A 53 -8.402 -1.248 -0.094 1.00 0.00 C ATOM 766 O PHE A 53 -9.187 -0.302 -0.169 1.00 0.00 O ATOM 767 CB PHE A 53 -8.964 -3.469 -1.100 1.00 0.00 C ATOM 768 CG PHE A 53 -10.302 -3.267 -0.449 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.068 -2.151 -0.741 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.794 -4.195 0.456 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.301 -1.962 -0.144 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.026 -4.012 1.055 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.779 -2.894 0.756 1.00 0.00 C ATOM 0 H PHE A 53 -6.479 -3.399 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.525 -1.668 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.109 -3.940 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.376 -4.160 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.698 -1.419 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.208 -5.070 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.889 -1.088 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.400 -4.743 1.757 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.741 -2.749 1.225 1.00 0.00 H new ATOM 783 N SER A 54 -7.711 -1.530 1.006 1.00 0.00 N ATOM 784 CA SER A 54 -7.841 -0.727 2.216 1.00 0.00 C ATOM 785 C SER A 54 -6.496 -0.131 2.620 1.00 0.00 C ATOM 786 O SER A 54 -5.432 -0.647 2.277 1.00 0.00 O ATOM 787 CB SER A 54 -8.398 -1.578 3.360 1.00 0.00 C ATOM 788 OG SER A 54 -9.804 -1.718 3.252 1.00 0.00 O ATOM 0 H SER A 54 -7.056 -2.308 1.084 1.00 0.00 H new ATOM 0 HA SER A 54 -8.533 0.089 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.929 -2.562 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.147 -1.118 4.316 1.00 0.00 H new ATOM 0 HG SER A 54 -10.136 -2.267 3.993 1.00 0.00 H new ATOM 794 N PRO A 55 -6.543 0.982 3.367 1.00 0.00 N ATOM 795 CA PRO A 55 -5.338 1.673 3.834 1.00 0.00 C ATOM 796 C PRO A 55 -4.587 0.875 4.895 1.00 0.00 C ATOM 797 O PRO A 55 -3.392 1.078 5.106 1.00 0.00 O ATOM 798 CB PRO A 55 -5.883 2.974 4.429 1.00 0.00 C ATOM 799 CG PRO A 55 -7.284 2.653 4.820 1.00 0.00 C ATOM 800 CD PRO A 55 -7.776 1.651 3.813 1.00 0.00 C ATOM 0 HA PRO A 55 -4.618 1.825 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.295 3.293 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.851 3.786 3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.323 2.243 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.905 3.549 4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.478 0.945 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.293 2.135 2.984 1.00 0.00 H new ATOM 808 N GLU A 56 -5.296 -0.032 5.559 1.00 0.00 N ATOM 809 CA GLU A 56 -4.695 -0.859 6.599 1.00 0.00 C ATOM 810 C GLU A 56 -3.735 -1.880 5.994 1.00 0.00 C ATOM 811 O GLU A 56 -2.656 -2.129 6.533 1.00 0.00 O ATOM 812 CB GLU A 56 -5.781 -1.577 7.402 1.00 0.00 C ATOM 813 CG GLU A 56 -5.359 -1.930 8.818 1.00 0.00 C ATOM 814 CD GLU A 56 -6.048 -3.175 9.340 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.293 -3.237 9.270 1.00 0.00 O ATOM 816 OE2 GLU A 56 -5.342 -4.088 9.818 1.00 0.00 O ATOM 0 H GLU A 56 -6.286 -0.213 5.396 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.132 -0.207 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.668 -0.945 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.064 -2.490 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.280 -2.079 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.582 -1.092 9.479 1.00 0.00 H new ATOM 823 N LEU A 57 -4.136 -2.468 4.872 1.00 0.00 N ATOM 824 CA LEU A 57 -3.312 -3.463 4.193 1.00 0.00 C ATOM 825 C LEU A 57 -1.969 -2.869 3.782 1.00 0.00 C ATOM 826 O LEU A 57 -0.925 -3.504 3.932 1.00 0.00 O ATOM 827 CB LEU A 57 -4.042 -4.003 2.962 1.00 0.00 C ATOM 828 CG LEU A 57 -5.011 -5.159 3.210 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.996 -5.286 2.059 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.249 -6.461 3.409 1.00 0.00 C ATOM 0 H LEU A 57 -5.026 -2.273 4.413 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.128 -4.282 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.595 -3.183 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.297 -4.329 2.236 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.573 -4.948 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.678 -6.114 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.566 -4.362 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.452 -5.474 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.955 -7.273 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.661 -6.678 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.585 -6.366 4.268 1.00 0.00 H new ATOM 842 N LYS A 58 -2.002 -1.645 3.266 1.00 0.00 N ATOM 843 CA LYS A 58 -0.787 -0.962 2.836 1.00 0.00 C ATOM 844 C LYS A 58 0.171 -0.768 4.007 1.00 0.00 C ATOM 845 O LYS A 58 1.333 -1.169 3.942 1.00 0.00 O ATOM 846 CB LYS A 58 -1.132 0.394 2.216 1.00 0.00 C ATOM 847 CG LYS A 58 0.047 1.069 1.537 1.00 0.00 C ATOM 848 CD LYS A 58 0.760 2.024 2.479 1.00 0.00 C ATOM 849 CE LYS A 58 0.019 3.347 2.599 1.00 0.00 C ATOM 850 NZ LYS A 58 0.090 4.138 1.339 1.00 0.00 N ATOM 0 H LYS A 58 -2.857 -1.105 3.135 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.296 -1.583 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.931 0.258 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.518 1.052 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.748 0.312 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.300 1.614 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.850 1.566 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.772 2.204 2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.024 3.157 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.444 3.928 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.682 4.979 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.505 3.554 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.867 4.434 1.061 1.00 0.00 H new ATOM 864 N GLN A 59 -0.325 -0.153 5.076 1.00 0.00 N ATOM 865 CA GLN A 59 0.488 0.093 6.261 1.00 0.00 C ATOM 866 C GLN A 59 1.356 -1.119 6.587 1.00 0.00 C ATOM 867 O GLN A 59 2.561 -0.991 6.800 1.00 0.00 O ATOM 868 CB GLN A 59 -0.404 0.432 7.456 1.00 0.00 C ATOM 869 CG GLN A 59 -1.077 1.791 7.347 1.00 0.00 C ATOM 870 CD GLN A 59 -1.746 2.216 8.639 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.085 2.409 9.660 1.00 0.00 O ATOM 872 NE2 GLN A 59 -3.065 2.366 8.601 1.00 0.00 N ATOM 0 H GLN A 59 -1.285 0.184 5.146 1.00 0.00 H new ATOM 0 HA GLN A 59 1.142 0.940 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.170 -0.337 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.196 0.405 8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.335 2.538 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.820 1.761 6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.573 2.195 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.570 2.652 9.440 1.00 0.00 H new ATOM 881 N GLU A 60 0.734 -2.293 6.623 1.00 0.00 N ATOM 882 CA GLU A 60 1.450 -3.527 6.924 1.00 0.00 C ATOM 883 C GLU A 60 2.560 -3.774 5.906 1.00 0.00 C ATOM 884 O GLU A 60 3.698 -4.072 6.272 1.00 0.00 O ATOM 885 CB GLU A 60 0.484 -4.714 6.938 1.00 0.00 C ATOM 886 CG GLU A 60 -0.699 -4.524 7.873 1.00 0.00 C ATOM 887 CD GLU A 60 -0.275 -4.324 9.316 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.406 -3.317 9.600 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.626 -5.175 10.160 1.00 0.00 O ATOM 0 H GLU A 60 -0.263 -2.416 6.448 1.00 0.00 H new ATOM 0 HA GLU A 60 1.901 -3.423 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.114 -4.883 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.028 -5.611 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.281 -3.662 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.353 -5.394 7.807 1.00 0.00 H new ATOM 896 N HIS A 61 2.222 -3.648 4.627 1.00 0.00 N ATOM 897 CA HIS A 61 3.189 -3.857 3.556 1.00 0.00 C ATOM 898 C HIS A 61 4.377 -2.910 3.704 1.00 0.00 C ATOM 899 O HIS A 61 5.522 -3.349 3.810 1.00 0.00 O ATOM 900 CB HIS A 61 2.526 -3.651 2.194 1.00 0.00 C ATOM 901 CG HIS A 61 3.499 -3.371 1.090 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.247 -4.354 0.478 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.842 -2.208 0.487 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.010 -3.809 -0.452 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.783 -2.507 -0.467 1.00 0.00 N ATOM 0 H HIS A 61 1.285 -3.402 4.307 1.00 0.00 H new ATOM 0 HA HIS A 61 3.553 -4.882 3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.949 -4.541 1.942 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.821 -2.823 2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.449 -1.228 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.702 -4.337 -1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.234 -1.834 -1.087 1.00 0.00 H new ATOM 913 N GLU A 62 4.095 -1.611 3.710 1.00 0.00 N ATOM 914 CA GLU A 62 5.141 -0.604 3.843 1.00 0.00 C ATOM 915 C GLU A 62 6.245 -1.087 4.780 1.00 0.00 C ATOM 916 O GLU A 62 7.423 -1.087 4.421 1.00 0.00 O ATOM 917 CB GLU A 62 4.553 0.708 4.365 1.00 0.00 C ATOM 918 CG GLU A 62 4.162 1.680 3.265 1.00 0.00 C ATOM 919 CD GLU A 62 3.292 2.815 3.770 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.648 2.642 4.827 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.254 3.874 3.110 1.00 0.00 O ATOM 0 H GLU A 62 3.152 -1.232 3.624 1.00 0.00 H new ATOM 0 HA GLU A 62 5.573 -0.434 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.675 0.487 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.281 1.187 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.064 2.092 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.630 1.141 2.481 1.00 0.00 H new ATOM 928 N SER A 63 5.855 -1.498 5.982 1.00 0.00 N ATOM 929 CA SER A 63 6.811 -1.980 6.972 1.00 0.00 C ATOM 930 C SER A 63 7.708 -3.064 6.380 1.00 0.00 C ATOM 931 O SER A 63 8.912 -3.097 6.634 1.00 0.00 O ATOM 932 CB SER A 63 6.077 -2.524 8.199 1.00 0.00 C ATOM 933 OG SER A 63 6.984 -2.822 9.246 1.00 0.00 O ATOM 0 H SER A 63 4.884 -1.507 6.294 1.00 0.00 H new ATOM 0 HA SER A 63 7.437 -1.140 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.347 -1.792 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.523 -3.423 7.927 1.00 0.00 H new ATOM 0 HG SER A 63 6.490 -3.166 10.019 1.00 0.00 H new ATOM 939 N LYS A 64 7.111 -3.949 5.589 1.00 0.00 N ATOM 940 CA LYS A 64 7.852 -5.034 4.959 1.00 0.00 C ATOM 941 C LYS A 64 8.016 -4.784 3.463 1.00 0.00 C ATOM 942 O LYS A 64 8.174 -5.721 2.680 1.00 0.00 O ATOM 943 CB LYS A 64 7.138 -6.368 5.188 1.00 0.00 C ATOM 944 CG LYS A 64 5.781 -6.456 4.512 1.00 0.00 C ATOM 945 CD LYS A 64 4.827 -7.346 5.290 1.00 0.00 C ATOM 946 CE LYS A 64 3.843 -8.050 4.367 1.00 0.00 C ATOM 947 NZ LYS A 64 2.705 -8.644 5.120 1.00 0.00 N ATOM 0 H LYS A 64 6.115 -3.936 5.369 1.00 0.00 H new ATOM 0 HA LYS A 64 8.842 -5.076 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.770 -7.176 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.011 -6.523 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.354 -5.457 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.902 -6.846 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.396 -8.088 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.280 -6.746 6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.462 -7.340 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.361 -8.833 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.057 -9.114 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.066 -9.340 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.195 -7.893 5.628 1.00 0.00 H new ATOM 961 N CYS A 65 7.979 -3.515 3.072 1.00 0.00 N ATOM 962 CA CYS A 65 8.124 -3.140 1.671 1.00 0.00 C ATOM 963 C CYS A 65 9.587 -3.197 1.242 1.00 0.00 C ATOM 964 O CYS A 65 10.400 -2.374 1.661 1.00 0.00 O ATOM 965 CB CYS A 65 7.567 -1.735 1.436 1.00 0.00 C ATOM 966 SG CYS A 65 7.754 -1.137 -0.274 1.00 0.00 S ATOM 0 H CYS A 65 7.850 -2.728 3.707 1.00 0.00 H new ATOM 0 HA CYS A 65 7.559 -3.852 1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.509 -1.727 1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.068 -1.040 2.109 1.00 0.00 H new ATOM 0 HG CYS A 65 7.316 -2.040 -1.100 1.00 0.00 H new ATOM 971 N GLU A 66 9.915 -4.175 0.402 1.00 0.00 N ATOM 972 CA GLU A 66 11.280 -4.340 -0.083 1.00 0.00 C ATOM 973 C GLU A 66 11.822 -3.025 -0.636 1.00 0.00 C ATOM 974 O GLU A 66 12.999 -2.705 -0.464 1.00 0.00 O ATOM 975 CB GLU A 66 11.334 -5.421 -1.164 1.00 0.00 C ATOM 976 CG GLU A 66 10.414 -5.151 -2.342 1.00 0.00 C ATOM 977 CD GLU A 66 10.305 -6.336 -3.282 1.00 0.00 C ATOM 978 OE1 GLU A 66 11.358 -6.832 -3.735 1.00 0.00 O ATOM 979 OE2 GLU A 66 9.167 -6.767 -3.564 1.00 0.00 O ATOM 0 H GLU A 66 9.254 -4.864 0.044 1.00 0.00 H new ATOM 0 HA GLU A 66 11.903 -4.646 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.358 -5.509 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.069 -6.381 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.422 -4.894 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.782 -4.287 -2.895 1.00 0.00 H new ATOM 986 N TYR A 67 10.957 -2.268 -1.301 1.00 0.00 N ATOM 987 CA TYR A 67 11.349 -0.990 -1.883 1.00 0.00 C ATOM 988 C TYR A 67 11.675 0.027 -0.793 1.00 0.00 C ATOM 989 O TYR A 67 12.464 0.950 -1.004 1.00 0.00 O ATOM 990 CB TYR A 67 10.234 -0.451 -2.781 1.00 0.00 C ATOM 991 CG TYR A 67 10.104 -1.190 -4.094 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.504 -2.442 -4.152 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.580 -0.636 -5.276 1.00 0.00 C ATOM 994 CE1 TYR A 67 9.384 -3.121 -5.349 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.463 -1.308 -6.477 1.00 0.00 C ATOM 996 CZ TYR A 67 9.865 -2.550 -6.509 1.00 0.00 C ATOM 997 OH TYR A 67 9.745 -3.223 -7.703 1.00 0.00 O ATOM 0 H TYR A 67 9.979 -2.517 -1.451 1.00 0.00 H new ATOM 0 HA TYR A 67 12.244 -1.152 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.287 -0.510 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.420 0.604 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.125 -2.892 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.049 0.336 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.916 -4.094 -5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.838 -0.863 -7.387 1.00 0.00 H new ATOM 0 HH TYR A 67 10.133 -2.683 -8.423 1.00 0.00 H new ATOM 1007 N LYS A 68 11.064 -0.148 0.373 1.00 0.00 N ATOM 1008 CA LYS A 68 11.289 0.751 1.499 1.00 0.00 C ATOM 1009 C LYS A 68 12.772 1.076 1.647 1.00 0.00 C ATOM 1010 O LYS A 68 13.172 2.239 1.592 1.00 0.00 O ATOM 1011 CB LYS A 68 10.761 0.125 2.791 1.00 0.00 C ATOM 1012 CG LYS A 68 10.989 0.986 4.022 1.00 0.00 C ATOM 1013 CD LYS A 68 9.886 2.016 4.194 1.00 0.00 C ATOM 1014 CE LYS A 68 10.067 2.819 5.473 1.00 0.00 C ATOM 1015 NZ LYS A 68 9.625 2.057 6.674 1.00 0.00 N ATOM 0 H LYS A 68 10.408 -0.905 0.564 1.00 0.00 H new ATOM 0 HA LYS A 68 10.750 1.678 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.693 -0.064 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.243 -0.842 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.037 0.352 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.951 1.492 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.880 2.690 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.918 1.515 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.116 3.094 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.499 3.747 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.765 2.639 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.618 1.816 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.184 1.184 6.756 1.00 0.00 H new ATOM 1029 N LYS A 69 13.583 0.041 1.835 1.00 0.00 N ATOM 1030 CA LYS A 69 15.023 0.215 1.989 1.00 0.00 C ATOM 1031 C LYS A 69 15.637 0.813 0.727 1.00 0.00 C ATOM 1032 O LYS A 69 16.634 1.533 0.790 1.00 0.00 O ATOM 1033 CB LYS A 69 15.689 -1.125 2.307 1.00 0.00 C ATOM 1034 CG LYS A 69 15.364 -2.219 1.304 1.00 0.00 C ATOM 1035 CD LYS A 69 16.254 -3.435 1.498 1.00 0.00 C ATOM 1036 CE LYS A 69 16.307 -4.293 0.243 1.00 0.00 C ATOM 1037 NZ LYS A 69 15.243 -5.335 0.238 1.00 0.00 N ATOM 0 H LYS A 69 13.268 -0.928 1.884 1.00 0.00 H new ATOM 0 HA LYS A 69 15.194 0.904 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.769 -0.985 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.377 -1.450 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.319 -2.511 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.488 -1.834 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.261 -3.112 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.882 -4.030 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.197 -3.658 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.284 -4.771 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.313 -5.898 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.362 -5.957 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.310 -4.878 0.281 1.00 0.00 H new ATOM 1051 N LEU A 70 15.035 0.511 -0.418 1.00 0.00 N ATOM 1052 CA LEU A 70 15.521 1.020 -1.696 1.00 0.00 C ATOM 1053 C LEU A 70 15.025 2.442 -1.940 1.00 0.00 C ATOM 1054 O LEU A 70 15.501 3.131 -2.843 1.00 0.00 O ATOM 1055 CB LEU A 70 15.069 0.107 -2.836 1.00 0.00 C ATOM 1056 CG LEU A 70 15.693 -1.289 -2.866 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.012 -2.156 -3.913 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.188 -1.199 -3.136 1.00 0.00 C ATOM 0 H LEU A 70 14.209 -0.084 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 70 16.610 1.036 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.986 -0.002 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.291 0.603 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 70 15.547 -1.752 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.469 -3.145 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.952 -2.248 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.126 -1.697 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.616 -2.202 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.355 -0.716 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.665 -0.615 -2.349 1.00 0.00 H new ATOM 1070 N THR A 71 14.066 2.876 -1.128 1.00 0.00 N ATOM 1071 CA THR A 71 13.506 4.216 -1.255 1.00 0.00 C ATOM 1072 C THR A 71 14.185 5.189 -0.298 1.00 0.00 C ATOM 1073 O THR A 71 13.953 5.150 0.910 1.00 0.00 O ATOM 1074 CB THR A 71 11.990 4.219 -0.983 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.338 3.262 -1.826 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.400 5.600 -1.224 1.00 0.00 C ATOM 0 H THR A 71 13.661 2.319 -0.376 1.00 0.00 H new ATOM 0 HA THR A 71 13.684 4.537 -2.281 1.00 0.00 H new ATOM 0 HB THR A 71 11.830 3.950 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.636 2.359 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.328 5.578 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.877 6.320 -0.560 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.571 5.893 -2.260 1.00 0.00 H new ATOM 1084 N CYS A 72 15.024 6.061 -0.846 1.00 0.00 N ATOM 1085 CA CYS A 72 15.737 7.046 -0.041 1.00 0.00 C ATOM 1086 C CYS A 72 14.760 7.940 0.716 1.00 0.00 C ATOM 1087 O CYS A 72 14.417 9.031 0.258 1.00 0.00 O ATOM 1088 CB CYS A 72 16.645 7.900 -0.929 1.00 0.00 C ATOM 1089 SG CYS A 72 17.547 9.204 -0.032 1.00 0.00 S ATOM 0 H CYS A 72 15.227 6.106 -1.845 1.00 0.00 H new ATOM 0 HA CYS A 72 16.349 6.511 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.366 7.250 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.041 8.362 -1.710 1.00 0.00 H new ATOM 0 HG CYS A 72 17.571 10.288 -0.750 1.00 0.00 H new ATOM 1094 N LEU A 73 14.316 7.471 1.877 1.00 0.00 N ATOM 1095 CA LEU A 73 13.379 8.228 2.700 1.00 0.00 C ATOM 1096 C LEU A 73 13.809 9.687 2.814 1.00 0.00 C ATOM 1097 O LEU A 73 12.998 10.560 3.120 1.00 0.00 O ATOM 1098 CB LEU A 73 13.274 7.605 4.093 1.00 0.00 C ATOM 1099 CG LEU A 73 12.841 6.139 4.142 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.737 5.661 5.582 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.517 5.949 3.417 1.00 0.00 C ATOM 0 H LEU A 73 14.590 6.570 2.270 1.00 0.00 H new ATOM 0 HA LEU A 73 12.402 8.193 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.244 7.693 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.567 8.192 4.679 1.00 0.00 H new ATOM 0 HG LEU A 73 13.598 5.539 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.428 4.616 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.707 5.759 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.001 6.265 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.225 4.900 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.750 6.560 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.626 6.251 2.375 1.00 0.00 H new ATOM 1113 N GLU A 74 15.089 9.942 2.563 1.00 0.00 N ATOM 1114 CA GLU A 74 15.626 11.296 2.637 1.00 0.00 C ATOM 1115 C GLU A 74 14.944 12.208 1.621 1.00 0.00 C ATOM 1116 O GLU A 74 14.377 13.241 1.979 1.00 0.00 O ATOM 1117 CB GLU A 74 17.137 11.284 2.394 1.00 0.00 C ATOM 1118 CG GLU A 74 17.897 12.295 3.235 1.00 0.00 C ATOM 1119 CD GLU A 74 17.484 13.725 2.945 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.776 13.946 1.940 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.868 14.622 3.723 1.00 0.00 O ATOM 0 H GLU A 74 15.773 9.230 2.307 1.00 0.00 H new ATOM 0 HA GLU A 74 15.429 11.683 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.522 10.286 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.328 11.484 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.732 12.080 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.966 12.185 3.050 1.00 0.00 H new ATOM 1128 N CYS A 75 15.003 11.818 0.352 1.00 0.00 N ATOM 1129 CA CYS A 75 14.393 12.599 -0.718 1.00 0.00 C ATOM 1130 C CYS A 75 13.614 11.698 -1.672 1.00 0.00 C ATOM 1131 O CYS A 75 13.774 11.782 -2.890 1.00 0.00 O ATOM 1132 CB CYS A 75 15.465 13.372 -1.488 1.00 0.00 C ATOM 1133 SG CYS A 75 16.629 12.314 -2.407 1.00 0.00 S ATOM 0 H CYS A 75 15.467 10.965 0.039 1.00 0.00 H new ATOM 0 HA CYS A 75 13.698 13.308 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 75 14.977 14.050 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.027 13.989 -0.787 1.00 0.00 H new ATOM 0 HG CYS A 75 17.496 13.059 -3.027 1.00 0.00 H new ATOM 1138 N MET A 76 12.771 10.838 -1.110 1.00 0.00 N ATOM 1139 CA MET A 76 11.967 9.923 -1.912 1.00 0.00 C ATOM 1140 C MET A 76 12.703 9.526 -3.187 1.00 0.00 C ATOM 1141 O MET A 76 12.183 9.689 -4.291 1.00 0.00 O ATOM 1142 CB MET A 76 10.623 10.565 -2.263 1.00 0.00 C ATOM 1143 CG MET A 76 9.510 10.218 -1.287 1.00 0.00 C ATOM 1144 SD MET A 76 9.880 10.733 0.401 1.00 0.00 S ATOM 1145 CE MET A 76 10.297 9.160 1.151 1.00 0.00 C ATOM 0 H MET A 76 12.627 10.756 -0.104 1.00 0.00 H new ATOM 0 HA MET A 76 11.789 9.024 -1.322 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.744 11.648 -2.293 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.329 10.249 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.585 10.693 -1.613 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.339 9.142 -1.305 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.394 9.285 2.229 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.510 8.436 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.241 8.800 0.741 1.00 0.00 H new ATOM 1155 N ARG A 77 13.915 9.006 -3.028 1.00 0.00 N ATOM 1156 CA ARG A 77 14.723 8.587 -4.168 1.00 0.00 C ATOM 1157 C ARG A 77 14.911 7.073 -4.174 1.00 0.00 C ATOM 1158 O ARG A 77 15.738 6.535 -3.437 1.00 0.00 O ATOM 1159 CB ARG A 77 16.086 9.281 -4.136 1.00 0.00 C ATOM 1160 CG ARG A 77 16.719 9.444 -5.508 1.00 0.00 C ATOM 1161 CD ARG A 77 17.585 10.692 -5.577 1.00 0.00 C ATOM 1162 NE ARG A 77 16.792 11.915 -5.490 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.213 13.097 -5.926 1.00 0.00 C ATOM 1164 NH1 ARG A 77 18.413 13.214 -6.477 1.00 0.00 N ATOM 1165 NH2 ARG A 77 16.433 14.164 -5.811 1.00 0.00 N ATOM 0 H ARG A 77 14.360 8.864 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 77 14.198 8.874 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.973 10.264 -3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.761 8.709 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.324 8.567 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.938 9.499 -6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.313 10.673 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.148 10.691 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 77 15.864 11.859 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.015 12.395 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.734 14.123 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.509 14.077 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.757 15.071 -6.146 1.00 0.00 H new ATOM 1179 N THR A 78 14.137 6.390 -5.012 1.00 0.00 N ATOM 1180 CA THR A 78 14.216 4.938 -5.114 1.00 0.00 C ATOM 1181 C THR A 78 15.364 4.512 -6.022 1.00 0.00 C ATOM 1182 O THR A 78 15.728 5.228 -6.955 1.00 0.00 O ATOM 1183 CB THR A 78 12.902 4.340 -5.651 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.790 5.130 -5.216 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.728 2.905 -5.179 1.00 0.00 C ATOM 0 H THR A 78 13.448 6.819 -5.630 1.00 0.00 H new ATOM 0 HA THR A 78 14.394 4.560 -4.107 1.00 0.00 H new ATOM 0 HB THR A 78 12.945 4.344 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.959 4.744 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.793 2.504 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.561 2.300 -5.538 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.705 2.881 -4.090 1.00 0.00 H new ATOM 1193 N PHE A 79 15.931 3.343 -5.743 1.00 0.00 N ATOM 1194 CA PHE A 79 17.038 2.822 -6.535 1.00 0.00 C ATOM 1195 C PHE A 79 16.776 1.379 -6.954 1.00 0.00 C ATOM 1196 O PHE A 79 15.728 0.811 -6.645 1.00 0.00 O ATOM 1197 CB PHE A 79 18.344 2.906 -5.742 1.00 0.00 C ATOM 1198 CG PHE A 79 18.932 4.287 -5.700 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.317 5.294 -4.974 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.100 4.579 -6.386 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.856 6.567 -4.934 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.644 5.849 -6.349 1.00 0.00 C ATOM 1203 CZ PHE A 79 20.021 6.844 -5.621 1.00 0.00 C ATOM 0 H PHE A 79 15.642 2.739 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 79 17.127 3.432 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.163 2.566 -4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.071 2.223 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.406 5.083 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.591 3.805 -6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.366 7.344 -4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.555 6.063 -6.888 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.445 7.837 -5.589 1.00 0.00 H new ATOM 1213 N LYS A 80 17.736 0.790 -7.660 1.00 0.00 N ATOM 1214 CA LYS A 80 17.611 -0.588 -8.121 1.00 0.00 C ATOM 1215 C LYS A 80 18.201 -1.558 -7.103 1.00 0.00 C ATOM 1216 O LYS A 80 17.945 -2.761 -7.157 1.00 0.00 O ATOM 1217 CB LYS A 80 18.312 -0.760 -9.471 1.00 0.00 C ATOM 1218 CG LYS A 80 19.823 -0.625 -9.394 1.00 0.00 C ATOM 1219 CD LYS A 80 20.277 0.774 -9.776 1.00 0.00 C ATOM 1220 CE LYS A 80 20.607 0.867 -11.258 1.00 0.00 C ATOM 1221 NZ LYS A 80 21.319 2.132 -11.590 1.00 0.00 N ATOM 0 H LYS A 80 18.609 1.246 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 80 16.551 -0.812 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.064 -1.740 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.925 -0.018 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.159 -0.854 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.289 -1.354 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.494 1.492 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 80 21.154 1.046 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.225 0.016 -11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.687 0.805 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.526 2.157 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.720 2.944 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 22.209 2.180 -11.055 1.00 0.00 H new ATOM 1235 N SER A 81 18.990 -1.027 -6.174 1.00 0.00 N ATOM 1236 CA SER A 81 19.617 -1.847 -5.145 1.00 0.00 C ATOM 1237 C SER A 81 19.991 -1.003 -3.930 1.00 0.00 C ATOM 1238 O SER A 81 20.110 0.219 -4.023 1.00 0.00 O ATOM 1239 CB SER A 81 20.863 -2.538 -5.702 1.00 0.00 C ATOM 1240 OG SER A 81 21.154 -3.724 -4.982 1.00 0.00 O ATOM 0 H SER A 81 19.210 -0.033 -6.113 1.00 0.00 H new ATOM 0 HA SER A 81 18.899 -2.605 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.711 -2.776 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.714 -1.859 -5.649 1.00 0.00 H new ATOM 0 HG SER A 81 21.953 -4.148 -5.359 1.00 0.00 H new ATOM 1246 N SER A 82 20.173 -1.664 -2.791 1.00 0.00 N ATOM 1247 CA SER A 82 20.529 -0.975 -1.556 1.00 0.00 C ATOM 1248 C SER A 82 21.956 -0.438 -1.625 1.00 0.00 C ATOM 1249 O SER A 82 22.228 0.690 -1.213 1.00 0.00 O ATOM 1250 CB SER A 82 20.384 -1.918 -0.361 1.00 0.00 C ATOM 1251 OG SER A 82 21.313 -2.986 -0.439 1.00 0.00 O ATOM 0 H SER A 82 20.080 -2.675 -2.698 1.00 0.00 H new ATOM 0 HA SER A 82 19.848 -0.133 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.539 -1.364 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.370 -2.316 -0.328 1.00 0.00 H new ATOM 0 HG SER A 82 21.201 -3.574 0.337 1.00 0.00 H new ATOM 1257 N PHE A 83 22.863 -1.255 -2.150 1.00 0.00 N ATOM 1258 CA PHE A 83 24.263 -0.864 -2.273 1.00 0.00 C ATOM 1259 C PHE A 83 24.405 0.383 -3.140 1.00 0.00 C ATOM 1260 O PHE A 83 25.200 1.274 -2.840 1.00 0.00 O ATOM 1261 CB PHE A 83 25.084 -2.009 -2.869 1.00 0.00 C ATOM 1262 CG PHE A 83 26.528 -1.661 -3.088 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.361 -1.394 -2.013 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.054 -1.602 -4.368 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.690 -1.072 -2.212 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.383 -1.281 -4.573 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.202 -1.017 -3.493 1.00 0.00 C ATOM 0 H PHE A 83 22.654 -2.191 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 83 24.640 -0.637 -1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.023 -2.872 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.642 -2.306 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 83 26.967 -1.438 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.418 -1.809 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.328 -0.863 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.780 -1.237 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.241 -0.768 -3.650 1.00 0.00 H new ATOM 1277 N SER A 84 23.629 0.439 -4.218 1.00 0.00 N ATOM 1278 CA SER A 84 23.671 1.575 -5.132 1.00 0.00 C ATOM 1279 C SER A 84 23.260 2.860 -4.421 1.00 0.00 C ATOM 1280 O SER A 84 24.027 3.822 -4.361 1.00 0.00 O ATOM 1281 CB SER A 84 22.753 1.326 -6.330 1.00 0.00 C ATOM 1282 OG SER A 84 23.080 2.183 -7.410 1.00 0.00 O ATOM 0 H SER A 84 22.964 -0.289 -4.480 1.00 0.00 H new ATOM 0 HA SER A 84 24.696 1.688 -5.485 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.838 0.287 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.715 1.485 -6.036 1.00 0.00 H new ATOM 0 HG SER A 84 22.257 2.497 -7.839 1.00 0.00 H new ATOM 1288 N ILE A 85 22.045 2.869 -3.883 1.00 0.00 N ATOM 1289 CA ILE A 85 21.532 4.035 -3.175 1.00 0.00 C ATOM 1290 C ILE A 85 22.465 4.444 -2.040 1.00 0.00 C ATOM 1291 O ILE A 85 22.731 5.629 -1.838 1.00 0.00 O ATOM 1292 CB ILE A 85 20.128 3.772 -2.600 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.580 5.035 -1.933 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.169 2.619 -1.608 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.116 4.939 -1.566 1.00 0.00 C ATOM 0 H ILE A 85 21.398 2.082 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 85 21.472 4.844 -3.903 1.00 0.00 H new ATOM 0 HB ILE A 85 19.463 3.499 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.159 5.241 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.723 5.882 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.169 2.445 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.521 1.718 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.847 2.866 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.796 5.870 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.526 4.764 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.969 4.113 -0.870 1.00 0.00 H new ATOM 1307 N TRP A 86 22.960 3.456 -1.304 1.00 0.00 N ATOM 1308 CA TRP A 86 23.866 3.712 -0.190 1.00 0.00 C ATOM 1309 C TRP A 86 24.871 4.803 -0.545 1.00 0.00 C ATOM 1310 O TRP A 86 25.176 5.669 0.274 1.00 0.00 O ATOM 1311 CB TRP A 86 24.604 2.430 0.200 1.00 0.00 C ATOM 1312 CG TRP A 86 25.484 2.594 1.403 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.088 2.914 2.670 1.00 0.00 C ATOM 1314 CD2 TRP A 86 26.907 2.447 1.449 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.181 2.975 3.502 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.308 2.692 2.777 1.00 0.00 C ATOM 1317 CE3 TRP A 86 27.881 2.130 0.499 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.641 2.630 3.175 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.204 2.070 0.896 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.574 2.318 2.224 1.00 0.00 C ATOM 0 H TRP A 86 22.749 2.470 -1.458 1.00 0.00 H new ATOM 0 HA TRP A 86 23.271 4.053 0.658 1.00 0.00 H new ATOM 0 HB2 TRP A 86 23.874 1.645 0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.211 2.098 -0.642 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.067 3.093 2.974 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.156 3.195 4.498 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.606 1.935 -0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 28.928 2.821 4.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 29.965 1.828 0.169 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.616 2.262 2.503 1.00 0.00 H new ATOM 1331 N ARG A 87 25.381 4.755 -1.772 1.00 0.00 N ATOM 1332 CA ARG A 87 26.352 5.739 -2.234 1.00 0.00 C ATOM 1333 C ARG A 87 25.703 7.111 -2.392 1.00 0.00 C ATOM 1334 O ARG A 87 26.337 8.140 -2.157 1.00 0.00 O ATOM 1335 CB ARG A 87 26.964 5.297 -3.565 1.00 0.00 C ATOM 1336 CG ARG A 87 27.743 3.995 -3.474 1.00 0.00 C ATOM 1337 CD ARG A 87 29.140 4.220 -2.917 1.00 0.00 C ATOM 1338 NE ARG A 87 30.035 4.815 -3.906 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.155 5.457 -3.592 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.515 5.586 -2.322 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.917 5.971 -4.548 1.00 0.00 N ATOM 0 H ARG A 87 25.138 4.045 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 87 27.141 5.813 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.168 5.184 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.626 6.082 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.205 3.292 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.813 3.542 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.082 4.870 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.553 3.269 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 87 29.787 4.733 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.932 5.192 -1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 87 32.375 6.079 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.643 5.874 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.777 6.464 -4.305 1.00 0.00 H new ATOM 1355 N HIS A 88 24.435 7.118 -2.791 1.00 0.00 N ATOM 1356 CA HIS A 88 23.699 8.363 -2.980 1.00 0.00 C ATOM 1357 C HIS A 88 23.429 9.043 -1.641 1.00 0.00 C ATOM 1358 O HIS A 88 23.226 10.255 -1.580 1.00 0.00 O ATOM 1359 CB HIS A 88 22.380 8.096 -3.704 1.00 0.00 C ATOM 1360 CG HIS A 88 21.361 9.177 -3.511 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.406 10.382 -4.179 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.264 9.228 -2.720 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.382 11.129 -3.806 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.673 10.451 -2.921 1.00 0.00 N ATOM 0 H HIS A 88 23.896 6.275 -2.990 1.00 0.00 H new ATOM 0 HA HIS A 88 24.311 9.028 -3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.577 7.980 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.966 7.151 -3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.918 8.451 -2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.162 12.124 -4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.825 10.782 -2.462 1.00 0.00 H new ATOM 1372 N GLN A 89 23.429 8.254 -0.571 1.00 0.00 N ATOM 1373 CA GLN A 89 23.182 8.780 0.766 1.00 0.00 C ATOM 1374 C GLN A 89 24.494 9.048 1.496 1.00 0.00 C ATOM 1375 O GLN A 89 24.543 9.842 2.435 1.00 0.00 O ATOM 1376 CB GLN A 89 22.326 7.802 1.572 1.00 0.00 C ATOM 1377 CG GLN A 89 20.914 7.642 1.033 1.00 0.00 C ATOM 1378 CD GLN A 89 19.936 7.167 2.090 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.367 7.969 2.831 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.735 5.856 2.165 1.00 0.00 N ATOM 0 H GLN A 89 23.597 7.249 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 89 22.645 9.723 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.815 6.828 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.275 8.144 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.573 8.596 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.923 6.932 0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.228 5.227 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.088 5.478 2.857 1.00 0.00 H new ATOM 1389 N VAL A 90 25.556 8.379 1.059 1.00 0.00 N ATOM 1390 CA VAL A 90 26.869 8.544 1.670 1.00 0.00 C ATOM 1391 C VAL A 90 27.701 9.576 0.915 1.00 0.00 C ATOM 1392 O VAL A 90 28.588 10.209 1.486 1.00 0.00 O ATOM 1393 CB VAL A 90 27.640 7.212 1.714 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.071 7.438 2.179 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.929 6.214 2.616 1.00 0.00 C ATOM 0 H VAL A 90 25.532 7.717 0.283 1.00 0.00 H new ATOM 0 HA VAL A 90 26.702 8.892 2.689 1.00 0.00 H new ATOM 0 HB VAL A 90 27.672 6.798 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.600 6.485 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.575 8.115 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.064 7.875 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.488 5.278 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.864 6.619 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.925 6.029 2.234 1.00 0.00 H new ATOM 1405 N GLU A 91 27.406 9.739 -0.370 1.00 0.00 N ATOM 1406 CA GLU A 91 28.127 10.694 -1.204 1.00 0.00 C ATOM 1407 C GLU A 91 27.421 12.047 -1.217 1.00 0.00 C ATOM 1408 O GLU A 91 28.061 13.095 -1.143 1.00 0.00 O ATOM 1409 CB GLU A 91 28.259 10.161 -2.632 1.00 0.00 C ATOM 1410 CG GLU A 91 29.114 8.910 -2.738 1.00 0.00 C ATOM 1411 CD GLU A 91 29.829 8.803 -4.071 1.00 0.00 C ATOM 1412 OE1 GLU A 91 30.927 9.384 -4.203 1.00 0.00 O ATOM 1413 OE2 GLU A 91 29.291 8.140 -4.982 1.00 0.00 O ATOM 0 H GLU A 91 26.673 9.223 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 91 29.123 10.827 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.265 9.946 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.689 10.939 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.850 8.908 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.485 8.031 -2.596 1.00 0.00 H new ATOM 1420 N VAL A 92 26.095 12.015 -1.313 1.00 0.00 N ATOM 1421 CA VAL A 92 25.301 13.237 -1.336 1.00 0.00 C ATOM 1422 C VAL A 92 24.895 13.655 0.073 1.00 0.00 C ATOM 1423 O VAL A 92 25.315 14.703 0.566 1.00 0.00 O ATOM 1424 CB VAL A 92 24.033 13.066 -2.194 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.372 14.413 -2.444 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.367 12.375 -3.507 1.00 0.00 C ATOM 0 H VAL A 92 25.549 11.156 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 92 25.927 14.013 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 92 23.329 12.438 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.478 14.272 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.096 14.865 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.068 15.068 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.459 12.263 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.090 12.975 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.791 11.392 -3.303 1.00 0.00 H new ATOM 1436 N HIS A 93 24.077 12.829 0.717 1.00 0.00 N ATOM 1437 CA HIS A 93 23.615 13.113 2.071 1.00 0.00 C ATOM 1438 C HIS A 93 24.729 12.876 3.086 1.00 0.00 C ATOM 1439 O HIS A 93 24.741 13.476 4.160 1.00 0.00 O ATOM 1440 CB HIS A 93 22.404 12.243 2.412 1.00 0.00 C ATOM 1441 CG HIS A 93 21.223 12.486 1.525 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.331 13.519 1.724 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.789 11.823 0.427 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.399 13.480 0.788 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.655 12.460 -0.012 1.00 0.00 N ATOM 0 H HIS A 93 23.721 11.958 0.323 1.00 0.00 H new ATOM 0 HA HIS A 93 23.323 14.162 2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.690 11.193 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.115 12.427 3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.249 10.954 -0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.569 14.165 0.693 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.100 12.190 -0.824 1.00 0.00 H new ATOM 1453 N ASN A 94 25.663 11.998 2.737 1.00 0.00 N ATOM 1454 CA ASN A 94 26.781 11.680 3.619 1.00 0.00 C ATOM 1455 C ASN A 94 26.282 11.199 4.978 1.00 0.00 C ATOM 1456 O ASN A 94 26.662 11.740 6.016 1.00 0.00 O ATOM 1457 CB ASN A 94 27.680 12.905 3.797 1.00 0.00 C ATOM 1458 CG ASN A 94 27.749 13.759 2.546 1.00 0.00 C ATOM 1459 OD1 ASN A 94 28.296 13.341 1.525 1.00 0.00 O ATOM 1460 ND2 ASN A 94 27.195 14.963 2.620 1.00 0.00 N ATOM 0 H ASN A 94 25.669 11.494 1.850 1.00 0.00 H new ATOM 0 HA ASN A 94 27.358 10.877 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.308 13.508 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 94 28.684 12.579 4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 94 27.212 15.583 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 94 26.752 15.268 3.487 1.00 0.00 H new ATOM 1467 N GLN A 95 25.431 10.179 4.962 1.00 0.00 N ATOM 1468 CA GLN A 95 24.881 9.625 6.194 1.00 0.00 C ATOM 1469 C GLN A 95 25.324 8.178 6.386 1.00 0.00 C ATOM 1470 O GLN A 95 24.597 7.246 6.045 1.00 0.00 O ATOM 1471 CB GLN A 95 23.353 9.704 6.176 1.00 0.00 C ATOM 1472 CG GLN A 95 22.803 10.978 6.798 1.00 0.00 C ATOM 1473 CD GLN A 95 21.437 10.779 7.424 1.00 0.00 C ATOM 1474 OE1 GLN A 95 21.271 9.966 8.334 1.00 0.00 O ATOM 1475 NE2 GLN A 95 20.449 11.522 6.939 1.00 0.00 N ATOM 0 H GLN A 95 25.107 9.719 4.111 1.00 0.00 H new ATOM 0 HA GLN A 95 25.259 10.216 7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.006 9.633 5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.947 8.844 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.498 11.336 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.739 11.753 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 95 20.631 12.183 6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 95 19.508 11.431 7.321 1.00 0.00 H new ATOM 1484 N ASN A 96 26.522 7.999 6.933 1.00 0.00 N ATOM 1485 CA ASN A 96 27.062 6.665 7.169 1.00 0.00 C ATOM 1486 C ASN A 96 26.420 6.027 8.397 1.00 0.00 C ATOM 1487 O ASN A 96 26.935 6.138 9.508 1.00 0.00 O ATOM 1488 CB ASN A 96 28.580 6.732 7.351 1.00 0.00 C ATOM 1489 CG ASN A 96 28.989 7.704 8.441 1.00 0.00 C ATOM 1490 OD1 ASN A 96 28.956 8.920 8.249 1.00 0.00 O ATOM 1491 ND2 ASN A 96 29.378 7.171 9.593 1.00 0.00 N ATOM 0 H ASN A 96 27.137 8.760 7.221 1.00 0.00 H new ATOM 0 HA ASN A 96 26.833 6.049 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.958 5.739 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.043 7.029 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 96 29.665 7.775 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 96 29.390 6.158 9.708 1.00 0.00 H new