USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 Single : A 11 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 17 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 77:sc= 0.395 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.68) USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -0.0149 (180deg=-0.346) USER MOD Single : A 52 SER OG : rot 77:sc= 0.64 USER MOD Single : A 59 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.285 -11.751 -5.254 1.00 0.00 N ATOM 2 CA GLN A 11 -10.434 -12.686 -4.471 1.00 0.00 C ATOM 3 C GLN A 11 -10.265 -12.208 -3.034 1.00 0.00 C ATOM 4 O GLN A 11 -10.269 -11.006 -2.765 1.00 0.00 O ATOM 5 CB GLN A 11 -9.070 -12.792 -5.156 1.00 0.00 C ATOM 6 CG GLN A 11 -8.215 -13.935 -4.634 1.00 0.00 C ATOM 7 CD GLN A 11 -8.225 -15.139 -5.554 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.179 -15.578 -6.034 1.00 0.00 O ATOM 9 NE2 GLN A 11 -9.410 -15.681 -5.806 1.00 0.00 N ATOM 0 HA GLN A 11 -10.915 -13.663 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.220 -12.921 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.531 -11.854 -5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.190 -13.588 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.575 -14.232 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.251 -15.285 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.479 -16.494 -6.419 1.00 0.00 H new ATOM 18 N ALA A 12 -10.120 -13.155 -2.113 1.00 0.00 N ATOM 19 CA ALA A 12 -9.950 -12.830 -0.703 1.00 0.00 C ATOM 20 C ALA A 12 -8.553 -12.284 -0.430 1.00 0.00 C ATOM 21 O ALA A 12 -7.554 -12.958 -0.681 1.00 0.00 O ATOM 22 CB ALA A 12 -10.218 -14.056 0.156 1.00 0.00 C ATOM 0 H ALA A 12 -10.117 -14.154 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.671 -12.054 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.087 -13.799 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.239 -14.400 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.520 -14.849 -0.113 1.00 0.00 H new ATOM 28 N CYS A 13 -8.489 -11.061 0.086 1.00 0.00 N ATOM 29 CA CYS A 13 -7.209 -10.429 0.394 1.00 0.00 C ATOM 30 C CYS A 13 -7.078 -10.164 1.890 1.00 0.00 C ATOM 31 O CYS A 13 -8.053 -10.250 2.635 1.00 0.00 O ATOM 32 CB CYS A 13 -7.055 -9.121 -0.386 1.00 0.00 C ATOM 33 SG CYS A 13 -8.208 -7.803 0.123 1.00 0.00 S ATOM 0 H CYS A 13 -9.305 -10.488 0.300 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.416 -11.114 0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.034 -8.759 -0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.200 -9.325 -1.447 1.00 0.00 H new ATOM 38 N THR A 14 -5.862 -9.842 2.319 1.00 0.00 N ATOM 39 CA THR A 14 -5.599 -9.564 3.725 1.00 0.00 C ATOM 40 C THR A 14 -5.527 -8.063 3.983 1.00 0.00 C ATOM 41 O THR A 14 -4.644 -7.376 3.470 1.00 0.00 O ATOM 42 CB THR A 14 -4.296 -10.236 4.161 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.960 -9.868 5.487 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.115 -9.892 3.277 1.00 0.00 C ATOM 0 H THR A 14 -5.045 -9.767 1.714 1.00 0.00 H new ATOM 0 HA THR A 14 -6.423 -9.970 4.311 1.00 0.00 H new ATOM 0 HB THR A 14 -4.487 -11.306 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.125 -10.309 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.225 -10.403 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.321 -10.210 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.949 -8.815 3.295 1.00 0.00 H new ATOM 52 N LEU A 15 -6.462 -7.561 4.782 1.00 0.00 N ATOM 53 CA LEU A 15 -6.505 -6.140 5.111 1.00 0.00 C ATOM 54 C LEU A 15 -5.234 -5.715 5.842 1.00 0.00 C ATOM 55 O LEU A 15 -4.487 -6.555 6.343 1.00 0.00 O ATOM 56 CB LEU A 15 -7.732 -5.834 5.975 1.00 0.00 C ATOM 57 CG LEU A 15 -8.013 -6.848 7.086 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.411 -6.139 8.371 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.101 -7.821 6.655 1.00 0.00 C ATOM 0 H LEU A 15 -7.200 -8.116 5.214 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.574 -5.576 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.603 -4.850 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.607 -5.775 5.328 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.100 -7.412 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.607 -6.878 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.602 -5.482 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.310 -5.548 8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.289 -8.535 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.016 -7.270 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.778 -8.355 5.761 1.00 0.00 H new ATOM 71 N PRO A 16 -4.968 -4.398 5.913 1.00 0.00 N ATOM 72 CA PRO A 16 -3.778 -3.871 6.588 1.00 0.00 C ATOM 73 C PRO A 16 -3.622 -4.425 8.002 1.00 0.00 C ATOM 74 O PRO A 16 -2.511 -4.512 8.525 1.00 0.00 O ATOM 75 CB PRO A 16 -4.032 -2.364 6.630 1.00 0.00 C ATOM 76 CG PRO A 16 -4.936 -2.102 5.474 1.00 0.00 C ATOM 77 CD PRO A 16 -5.803 -3.323 5.341 1.00 0.00 C ATOM 0 HA PRO A 16 -2.859 -4.147 6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.495 -2.066 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.102 -1.803 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.540 -1.211 5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.364 -1.929 4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.741 -3.211 5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.059 -3.523 4.300 1.00 0.00 H new ATOM 85 N ASN A 17 -4.742 -4.800 8.610 1.00 0.00 N ATOM 86 CA ASN A 17 -4.730 -5.349 9.963 1.00 0.00 C ATOM 87 C ASN A 17 -4.420 -6.845 9.947 1.00 0.00 C ATOM 88 O ASN A 17 -4.129 -7.435 10.987 1.00 0.00 O ATOM 89 CB ASN A 17 -6.076 -5.104 10.645 1.00 0.00 C ATOM 90 CG ASN A 17 -5.925 -4.765 12.115 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.823 -4.799 12.661 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.038 -4.439 12.765 1.00 0.00 N ATOM 0 H ASN A 17 -5.669 -4.734 8.189 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.945 -4.842 10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.594 -4.290 10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.700 -5.992 10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.999 -4.204 13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.931 -4.424 12.272 1.00 0.00 H new ATOM 99 N ASN A 18 -4.482 -7.454 8.765 1.00 0.00 N ATOM 100 CA ASN A 18 -4.207 -8.881 8.620 1.00 0.00 C ATOM 101 C ASN A 18 -5.245 -9.714 9.363 1.00 0.00 C ATOM 102 O ASN A 18 -5.015 -10.148 10.492 1.00 0.00 O ATOM 103 CB ASN A 18 -2.803 -9.208 9.137 1.00 0.00 C ATOM 104 CG ASN A 18 -1.772 -9.245 8.026 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.260 -10.307 7.672 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.461 -8.079 7.468 1.00 0.00 N ATOM 0 H ASN A 18 -4.720 -6.981 7.893 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.261 -9.130 7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.509 -8.464 9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.821 -10.173 9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.774 -8.041 6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.910 -7.222 7.792 1.00 0.00 H new ATOM 113 N ASP A 19 -6.387 -9.937 8.720 1.00 0.00 N ATOM 114 CA ASP A 19 -7.461 -10.720 9.318 1.00 0.00 C ATOM 115 C ASP A 19 -8.370 -11.312 8.244 1.00 0.00 C ATOM 116 O ASP A 19 -9.551 -11.561 8.486 1.00 0.00 O ATOM 117 CB ASP A 19 -8.283 -9.852 10.274 1.00 0.00 C ATOM 118 CG ASP A 19 -7.449 -9.293 11.410 1.00 0.00 C ATOM 119 OD1 ASP A 19 -6.879 -10.095 12.178 1.00 0.00 O ATOM 120 OD2 ASP A 19 -7.365 -8.053 11.530 1.00 0.00 O ATOM 0 H ASP A 19 -6.592 -9.586 7.784 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.009 -11.539 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.732 -9.029 9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.101 -10.443 10.685 1.00 0.00 H new ATOM 125 N LYS A 20 -7.812 -11.535 7.057 1.00 0.00 N ATOM 126 CA LYS A 20 -8.573 -12.097 5.946 1.00 0.00 C ATOM 127 C LYS A 20 -9.709 -11.163 5.536 1.00 0.00 C ATOM 128 O LYS A 20 -10.339 -10.528 6.381 1.00 0.00 O ATOM 129 CB LYS A 20 -9.137 -13.467 6.327 1.00 0.00 C ATOM 130 CG LYS A 20 -8.123 -14.378 6.999 1.00 0.00 C ATOM 131 CD LYS A 20 -8.432 -14.566 8.477 1.00 0.00 C ATOM 132 CE LYS A 20 -7.161 -14.733 9.294 1.00 0.00 C ATOM 133 NZ LYS A 20 -7.411 -15.468 10.565 1.00 0.00 N ATOM 0 H LYS A 20 -6.836 -11.335 6.840 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.898 -12.213 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.987 -13.328 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.515 -13.957 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.118 -15.348 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.124 -13.957 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.992 -13.706 8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.068 -15.441 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.418 -15.270 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.742 -13.752 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.520 -15.561 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.101 -14.943 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.787 -16.414 10.351 1.00 0.00 H new ATOM 147 N GLY A 21 -9.963 -11.085 4.234 1.00 0.00 N ATOM 148 CA GLY A 21 -11.022 -10.226 3.737 1.00 0.00 C ATOM 149 C GLY A 21 -11.338 -10.473 2.276 1.00 0.00 C ATOM 150 O GLY A 21 -11.147 -11.578 1.769 1.00 0.00 O ATOM 0 H GLY A 21 -9.455 -11.600 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.922 -10.385 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.732 -9.184 3.871 1.00 0.00 H new ATOM 154 N THR A 22 -11.826 -9.440 1.598 1.00 0.00 N ATOM 155 CA THR A 22 -12.174 -9.542 0.185 1.00 0.00 C ATOM 156 C THR A 22 -11.532 -8.413 -0.612 1.00 0.00 C ATOM 157 O THR A 22 -11.364 -7.303 -0.109 1.00 0.00 O ATOM 158 CB THR A 22 -13.693 -9.510 0.008 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.341 -10.090 1.125 1.00 0.00 O ATOM 160 CG2 THR A 22 -14.166 -10.242 -1.230 1.00 0.00 C ATOM 0 H THR A 22 -11.990 -8.519 2.006 1.00 0.00 H new ATOM 0 HA THR A 22 -11.794 -10.492 -0.192 1.00 0.00 H new ATOM 0 HB THR A 22 -13.950 -8.456 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.312 -10.058 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.252 -10.181 -1.296 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.723 -9.785 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.864 -11.288 -1.172 1.00 0.00 H new ATOM 168 N CYS A 23 -11.169 -8.701 -1.858 1.00 0.00 N ATOM 169 CA CYS A 23 -10.539 -7.704 -2.716 1.00 0.00 C ATOM 170 C CYS A 23 -11.388 -7.429 -3.955 1.00 0.00 C ATOM 171 O CYS A 23 -11.684 -8.337 -4.732 1.00 0.00 O ATOM 172 CB CYS A 23 -9.145 -8.173 -3.138 1.00 0.00 C ATOM 173 SG CYS A 23 -7.873 -6.870 -3.087 1.00 0.00 S ATOM 0 H CYS A 23 -11.300 -9.613 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.451 -6.779 -2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.837 -8.992 -2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.199 -8.573 -4.150 1.00 0.00 H new ATOM 178 N LYS A 24 -11.771 -6.169 -4.129 1.00 0.00 N ATOM 179 CA LYS A 24 -12.583 -5.767 -5.272 1.00 0.00 C ATOM 180 C LYS A 24 -12.102 -4.434 -5.836 1.00 0.00 C ATOM 181 O LYS A 24 -11.315 -3.730 -5.204 1.00 0.00 O ATOM 182 CB LYS A 24 -14.054 -5.663 -4.869 1.00 0.00 C ATOM 183 CG LYS A 24 -14.316 -4.640 -3.776 1.00 0.00 C ATOM 184 CD LYS A 24 -15.744 -4.725 -3.263 1.00 0.00 C ATOM 185 CE LYS A 24 -15.821 -5.499 -1.957 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.223 -5.852 -1.602 1.00 0.00 N ATOM 0 H LYS A 24 -11.532 -5.408 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.480 -6.528 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.645 -5.403 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.399 -6.640 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.622 -4.802 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.126 -3.638 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.139 -3.720 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.372 -5.208 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.227 -6.409 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.383 -4.904 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.232 -6.379 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.784 -4.983 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.634 -6.442 -2.354 1.00 0.00 H new ATOM 200 N SER A 25 -12.581 -4.091 -7.028 1.00 0.00 N ATOM 201 CA SER A 25 -12.198 -2.840 -7.676 1.00 0.00 C ATOM 202 C SER A 25 -12.547 -1.643 -6.796 1.00 0.00 C ATOM 203 O SER A 25 -13.002 -1.805 -5.664 1.00 0.00 O ATOM 204 CB SER A 25 -12.893 -2.712 -9.032 1.00 0.00 C ATOM 205 OG SER A 25 -12.084 -3.233 -10.072 1.00 0.00 O ATOM 0 H SER A 25 -13.235 -4.661 -7.565 1.00 0.00 H new ATOM 0 HA SER A 25 -11.119 -2.853 -7.829 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.845 -3.242 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.117 -1.664 -9.232 1.00 0.00 H new ATOM 0 HG SER A 25 -12.552 -3.141 -10.928 1.00 0.00 H new ATOM 211 N LEU A 26 -12.330 -0.443 -7.324 1.00 0.00 N ATOM 212 CA LEU A 26 -12.622 0.781 -6.586 1.00 0.00 C ATOM 213 C LEU A 26 -13.998 1.329 -6.959 1.00 0.00 C ATOM 214 O LEU A 26 -14.219 2.540 -6.948 1.00 0.00 O ATOM 215 CB LEU A 26 -11.547 1.836 -6.860 1.00 0.00 C ATOM 216 CG LEU A 26 -11.545 2.407 -8.282 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.040 3.846 -8.282 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.154 2.320 -8.891 1.00 0.00 C ATOM 0 H LEU A 26 -11.953 -0.292 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.624 0.542 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.678 2.657 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.570 1.397 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.224 1.811 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.031 4.234 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.056 3.881 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.388 4.455 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.173 2.730 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.453 2.890 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.838 1.278 -8.929 1.00 0.00 H new ATOM 230 N LEU A 27 -14.919 0.429 -7.286 1.00 0.00 N ATOM 231 CA LEU A 27 -16.273 0.819 -7.660 1.00 0.00 C ATOM 232 C LEU A 27 -17.281 -0.231 -7.206 1.00 0.00 C ATOM 233 O LEU A 27 -18.213 -0.570 -7.937 1.00 0.00 O ATOM 234 CB LEU A 27 -16.367 1.016 -9.175 1.00 0.00 C ATOM 235 CG LEU A 27 -15.531 2.170 -9.730 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.364 2.030 -11.236 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.171 3.506 -9.383 1.00 0.00 C ATOM 0 H LEU A 27 -14.752 -0.577 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.508 1.761 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.057 0.094 -9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.411 1.183 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.543 2.134 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.767 2.859 -11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.862 1.089 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.344 2.041 -11.713 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.563 4.316 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.171 3.554 -9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.238 3.607 -8.300 1.00 0.00 H new ATOM 249 N GLN A 28 -17.089 -0.743 -5.995 1.00 0.00 N ATOM 250 CA GLN A 28 -17.981 -1.757 -5.442 1.00 0.00 C ATOM 251 C GLN A 28 -18.020 -1.676 -3.919 1.00 0.00 C ATOM 252 O GLN A 28 -19.085 -1.770 -3.311 1.00 0.00 O ATOM 253 CB GLN A 28 -17.533 -3.151 -5.880 1.00 0.00 C ATOM 254 CG GLN A 28 -17.669 -3.393 -7.374 1.00 0.00 C ATOM 255 CD GLN A 28 -17.184 -4.769 -7.789 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.551 -5.777 -7.186 1.00 0.00 O ATOM 257 NE2 GLN A 28 -16.352 -4.816 -8.824 1.00 0.00 N ATOM 0 H GLN A 28 -16.324 -0.473 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.985 -1.569 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.492 -3.297 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.120 -3.897 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.714 -3.278 -7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.103 -2.634 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.074 -3.955 -9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.991 -5.713 -9.148 1.00 0.00 H new ATOM 266 N CYS A 29 -16.850 -1.500 -3.309 1.00 0.00 N ATOM 267 CA CYS A 29 -16.746 -1.405 -1.857 1.00 0.00 C ATOM 268 C CYS A 29 -17.737 -0.384 -1.301 1.00 0.00 C ATOM 269 O CYS A 29 -17.654 0.805 -1.607 1.00 0.00 O ATOM 270 CB CYS A 29 -15.322 -1.017 -1.460 1.00 0.00 C ATOM 271 SG CYS A 29 -14.211 -2.437 -1.192 1.00 0.00 S ATOM 0 H CYS A 29 -15.960 -1.420 -3.800 1.00 0.00 H new ATOM 0 HA CYS A 29 -16.987 -2.380 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.900 -0.381 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.360 -0.422 -0.548 1.00 0.00 H new ATOM 276 N ASP A 30 -18.672 -0.860 -0.487 1.00 0.00 N ATOM 277 CA ASP A 30 -19.680 0.010 0.111 1.00 0.00 C ATOM 278 C ASP A 30 -19.027 1.113 0.939 1.00 0.00 C ATOM 279 O ASP A 30 -19.505 2.247 0.968 1.00 0.00 O ATOM 280 CB ASP A 30 -20.635 -0.807 0.985 1.00 0.00 C ATOM 281 CG ASP A 30 -21.919 -1.161 0.262 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.805 -0.287 0.160 1.00 0.00 O ATOM 283 OD2 ASP A 30 -22.039 -2.314 -0.203 1.00 0.00 O ATOM 0 H ASP A 30 -18.754 -1.843 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.247 0.476 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.137 -1.722 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.872 -0.241 1.886 1.00 0.00 H new ATOM 288 N VAL A 31 -17.933 0.770 1.610 1.00 0.00 N ATOM 289 CA VAL A 31 -17.214 1.734 2.437 1.00 0.00 C ATOM 290 C VAL A 31 -16.558 2.809 1.581 1.00 0.00 C ATOM 291 O VAL A 31 -16.550 3.984 1.941 1.00 0.00 O ATOM 292 CB VAL A 31 -16.137 1.046 3.298 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.776 0.091 4.294 1.00 0.00 C ATOM 294 CG2 VAL A 31 -15.134 0.316 2.415 1.00 0.00 C ATOM 0 H VAL A 31 -17.525 -0.165 1.598 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.949 2.197 3.095 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.603 1.813 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.999 -0.385 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.450 0.645 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.338 -0.673 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -14.381 -0.164 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.652 -0.440 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -14.651 1.029 1.747 1.00 0.00 H new ATOM 304 N ALA A 32 -16.012 2.397 0.446 1.00 0.00 N ATOM 305 CA ALA A 32 -15.357 3.326 -0.465 1.00 0.00 C ATOM 306 C ALA A 32 -16.358 4.320 -1.041 1.00 0.00 C ATOM 307 O ALA A 32 -16.041 5.490 -1.245 1.00 0.00 O ATOM 308 CB ALA A 32 -14.659 2.565 -1.582 1.00 0.00 C ATOM 0 H ALA A 32 -16.009 1.426 0.134 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.610 3.886 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.174 3.271 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.910 1.898 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.392 1.980 -2.137 1.00 0.00 H new ATOM 314 N SER A 33 -17.568 3.840 -1.306 1.00 0.00 N ATOM 315 CA SER A 33 -18.621 4.679 -1.867 1.00 0.00 C ATOM 316 C SER A 33 -19.064 5.754 -0.879 1.00 0.00 C ATOM 317 O SER A 33 -19.364 6.882 -1.270 1.00 0.00 O ATOM 318 CB SER A 33 -19.821 3.822 -2.275 1.00 0.00 C ATOM 319 OG SER A 33 -20.756 4.575 -3.026 1.00 0.00 O ATOM 0 H SER A 33 -17.845 2.872 -1.141 1.00 0.00 H new ATOM 0 HA SER A 33 -18.215 5.175 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.480 2.970 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.305 3.421 -1.384 1.00 0.00 H new ATOM 0 HG SER A 33 -21.512 4.003 -3.275 1.00 0.00 H new ATOM 325 N LYS A 34 -19.109 5.400 0.402 1.00 0.00 N ATOM 326 CA LYS A 34 -19.524 6.345 1.435 1.00 0.00 C ATOM 327 C LYS A 34 -18.486 7.449 1.616 1.00 0.00 C ATOM 328 O LYS A 34 -18.827 8.588 1.934 1.00 0.00 O ATOM 329 CB LYS A 34 -19.772 5.619 2.762 1.00 0.00 C ATOM 330 CG LYS A 34 -18.510 5.102 3.437 1.00 0.00 C ATOM 331 CD LYS A 34 -18.574 5.270 4.946 1.00 0.00 C ATOM 332 CE LYS A 34 -17.443 4.529 5.639 1.00 0.00 C ATOM 333 NZ LYS A 34 -17.927 3.308 6.343 1.00 0.00 N ATOM 0 H LYS A 34 -18.865 4.472 0.749 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.457 6.807 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.283 6.298 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.445 4.780 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.372 4.049 3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.643 5.636 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.524 6.329 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.531 4.900 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.689 4.249 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.959 5.193 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.125 2.831 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.628 3.577 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.366 2.662 5.656 1.00 0.00 H new ATOM 347 N ILE A 35 -17.219 7.104 1.412 1.00 0.00 N ATOM 348 CA ILE A 35 -16.133 8.068 1.553 1.00 0.00 C ATOM 349 C ILE A 35 -16.178 9.112 0.441 1.00 0.00 C ATOM 350 O ILE A 35 -15.907 10.291 0.670 1.00 0.00 O ATOM 351 CB ILE A 35 -14.756 7.374 1.538 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.710 6.261 2.586 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.646 8.386 1.786 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.823 5.099 2.194 1.00 0.00 C ATOM 0 H ILE A 35 -16.919 6.165 1.149 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.270 8.560 2.516 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.603 6.930 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.356 6.676 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.722 5.894 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.681 7.879 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.667 9.147 1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.794 8.857 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.838 4.347 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.189 4.659 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.802 5.453 2.049 1.00 0.00 H new ATOM 366 N ILE A 36 -16.521 8.668 -0.762 1.00 0.00 N ATOM 367 CA ILE A 36 -16.604 9.562 -1.912 1.00 0.00 C ATOM 368 C ILE A 36 -17.789 10.513 -1.781 1.00 0.00 C ATOM 369 O ILE A 36 -17.737 11.652 -2.244 1.00 0.00 O ATOM 370 CB ILE A 36 -16.732 8.770 -3.229 1.00 0.00 C ATOM 371 CG1 ILE A 36 -15.578 7.773 -3.361 1.00 0.00 C ATOM 372 CG2 ILE A 36 -16.770 9.715 -4.422 1.00 0.00 C ATOM 373 CD1 ILE A 36 -14.248 8.419 -3.687 1.00 0.00 C ATOM 0 H ILE A 36 -16.746 7.695 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.680 10.140 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.669 8.213 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.482 7.216 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.821 7.051 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.861 9.137 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.625 10.385 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.852 10.301 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.479 7.650 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -14.325 8.952 -4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.981 9.120 -2.897 1.00 0.00 H new ATOM 385 N SER A 37 -18.856 10.039 -1.146 1.00 0.00 N ATOM 386 CA SER A 37 -20.053 10.848 -0.954 1.00 0.00 C ATOM 387 C SER A 37 -20.058 11.518 0.421 1.00 0.00 C ATOM 388 O SER A 37 -20.993 12.241 0.762 1.00 0.00 O ATOM 389 CB SER A 37 -21.307 9.983 -1.114 1.00 0.00 C ATOM 390 OG SER A 37 -21.186 9.109 -2.223 1.00 0.00 O ATOM 0 H SER A 37 -18.916 9.098 -0.756 1.00 0.00 H new ATOM 0 HA SER A 37 -20.052 11.630 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.471 9.403 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 37 -22.180 10.623 -1.245 1.00 0.00 H new ATOM 0 HG SER A 37 -20.603 8.358 -1.986 1.00 0.00 H new ATOM 396 N LYS A 38 -19.010 11.277 1.207 1.00 0.00 N ATOM 397 CA LYS A 38 -18.908 11.861 2.539 1.00 0.00 C ATOM 398 C LYS A 38 -18.601 13.355 2.455 1.00 0.00 C ATOM 399 O LYS A 38 -19.504 14.187 2.530 1.00 0.00 O ATOM 400 CB LYS A 38 -17.830 11.141 3.353 1.00 0.00 C ATOM 401 CG LYS A 38 -18.389 10.118 4.331 1.00 0.00 C ATOM 402 CD LYS A 38 -18.448 10.670 5.748 1.00 0.00 C ATOM 403 CE LYS A 38 -17.551 9.886 6.693 1.00 0.00 C ATOM 404 NZ LYS A 38 -18.339 9.023 7.617 1.00 0.00 N ATOM 0 H LYS A 38 -18.223 10.683 0.944 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.868 11.738 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.143 10.641 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.249 11.880 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.388 9.820 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.769 9.222 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.146 11.717 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.476 10.636 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.866 9.267 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.942 10.579 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.692 8.505 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.975 9.616 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.901 8.345 7.064 1.00 0.00 H new ATOM 418 N LYS A 39 -17.324 13.687 2.300 1.00 0.00 N ATOM 419 CA LYS A 39 -16.900 15.082 2.207 1.00 0.00 C ATOM 420 C LYS A 39 -15.375 15.192 2.162 1.00 0.00 C ATOM 421 O LYS A 39 -14.810 15.683 1.186 1.00 0.00 O ATOM 422 CB LYS A 39 -17.450 15.889 3.388 1.00 0.00 C ATOM 423 CG LYS A 39 -18.317 17.064 2.969 1.00 0.00 C ATOM 424 CD LYS A 39 -19.435 17.315 3.969 1.00 0.00 C ATOM 425 CE LYS A 39 -20.550 18.148 3.360 1.00 0.00 C ATOM 426 NZ LYS A 39 -20.337 19.605 3.577 1.00 0.00 N ATOM 0 H LYS A 39 -16.563 13.010 2.236 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.301 15.492 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.033 15.228 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.616 16.258 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.701 17.958 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.744 16.870 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.838 16.362 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.034 17.826 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.612 17.946 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -21.504 17.852 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -21.119 20.138 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.304 19.803 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.439 19.894 3.139 1.00 0.00 H new ATOM 440 N PRO A 40 -14.686 14.736 3.226 1.00 0.00 N ATOM 441 CA PRO A 40 -13.221 14.792 3.299 1.00 0.00 C ATOM 442 C PRO A 40 -12.550 13.912 2.251 1.00 0.00 C ATOM 443 O PRO A 40 -13.061 12.851 1.896 1.00 0.00 O ATOM 444 CB PRO A 40 -12.909 14.278 4.709 1.00 0.00 C ATOM 445 CG PRO A 40 -14.102 13.477 5.100 1.00 0.00 C ATOM 446 CD PRO A 40 -15.277 14.137 4.436 1.00 0.00 C ATOM 0 HA PRO A 40 -12.846 15.797 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.005 13.669 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.743 15.103 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.001 12.441 4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.224 13.461 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.057 13.417 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.731 14.891 5.078 1.00 0.00 H new ATOM 454 N ARG A 41 -11.399 14.364 1.761 1.00 0.00 N ATOM 455 CA ARG A 41 -10.649 13.623 0.752 1.00 0.00 C ATOM 456 C ARG A 41 -9.360 14.357 0.393 1.00 0.00 C ATOM 457 O ARG A 41 -9.371 15.296 -0.405 1.00 0.00 O ATOM 458 CB ARG A 41 -11.503 13.416 -0.502 1.00 0.00 C ATOM 459 CG ARG A 41 -11.924 11.972 -0.718 1.00 0.00 C ATOM 460 CD ARG A 41 -12.442 11.749 -2.130 1.00 0.00 C ATOM 461 NE ARG A 41 -13.768 12.332 -2.326 1.00 0.00 N ATOM 462 CZ ARG A 41 -14.341 12.488 -3.517 1.00 0.00 C ATOM 463 NH1 ARG A 41 -13.709 12.106 -4.621 1.00 0.00 N ATOM 464 NH2 ARG A 41 -15.549 13.028 -3.606 1.00 0.00 N ATOM 0 H ARG A 41 -10.965 15.242 2.047 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.390 12.649 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.394 14.039 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.944 13.757 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.076 11.313 -0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.699 11.706 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.745 12.186 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.482 10.680 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.285 12.637 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.780 11.691 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.153 12.228 -5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.039 13.324 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.988 13.148 -4.519 1.00 0.00 H new ATOM 478 N THR A 42 -8.252 13.927 0.987 1.00 0.00 N ATOM 479 CA THR A 42 -6.957 14.548 0.731 1.00 0.00 C ATOM 480 C THR A 42 -5.911 13.502 0.358 1.00 0.00 C ATOM 481 O THR A 42 -6.227 12.324 0.192 1.00 0.00 O ATOM 482 CB THR A 42 -6.496 15.335 1.959 1.00 0.00 C ATOM 483 OG1 THR A 42 -7.108 14.834 3.133 1.00 0.00 O ATOM 484 CG2 THR A 42 -6.810 16.813 1.874 1.00 0.00 C ATOM 0 H THR A 42 -8.224 13.151 1.649 1.00 0.00 H new ATOM 0 HA THR A 42 -7.071 15.232 -0.110 1.00 0.00 H new ATOM 0 HB THR A 42 -5.414 15.211 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.800 15.349 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.457 17.312 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.313 17.241 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.887 16.951 1.781 1.00 0.00 H new ATOM 492 N ALA A 43 -4.663 13.943 0.223 1.00 0.00 N ATOM 493 CA ALA A 43 -3.565 13.051 -0.133 1.00 0.00 C ATOM 494 C ALA A 43 -3.474 11.875 0.835 1.00 0.00 C ATOM 495 O ALA A 43 -3.092 10.770 0.449 1.00 0.00 O ATOM 496 CB ALA A 43 -2.252 13.817 -0.159 1.00 0.00 C ATOM 0 H ALA A 43 -4.387 14.916 0.355 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.762 12.653 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.441 13.140 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.313 14.618 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.060 14.243 0.826 1.00 0.00 H new ATOM 502 N GLN A 44 -3.826 12.118 2.092 1.00 0.00 N ATOM 503 CA GLN A 44 -3.783 11.077 3.111 1.00 0.00 C ATOM 504 C GLN A 44 -4.693 9.913 2.734 1.00 0.00 C ATOM 505 O GLN A 44 -4.408 8.759 3.055 1.00 0.00 O ATOM 506 CB GLN A 44 -4.196 11.645 4.471 1.00 0.00 C ATOM 507 CG GLN A 44 -3.305 12.777 4.954 1.00 0.00 C ATOM 508 CD GLN A 44 -1.926 12.299 5.367 1.00 0.00 C ATOM 509 OE1 GLN A 44 -1.791 11.419 6.218 1.00 0.00 O ATOM 510 NE2 GLN A 44 -0.895 12.878 4.765 1.00 0.00 N ATOM 0 H GLN A 44 -4.144 13.026 2.430 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.759 10.709 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.223 12.004 4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.183 10.843 5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.206 13.519 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.781 13.274 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.054 13.603 4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.057 12.598 5.002 1.00 0.00 H new ATOM 519 N ASP A 45 -5.787 10.225 2.047 1.00 0.00 N ATOM 520 CA ASP A 45 -6.737 9.205 1.619 1.00 0.00 C ATOM 521 C ASP A 45 -6.135 8.335 0.523 1.00 0.00 C ATOM 522 O ASP A 45 -6.386 7.131 0.462 1.00 0.00 O ATOM 523 CB ASP A 45 -8.027 9.858 1.118 1.00 0.00 C ATOM 524 CG ASP A 45 -8.925 10.309 2.254 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.665 9.462 2.799 1.00 0.00 O ATOM 526 OD2 ASP A 45 -8.889 11.510 2.598 1.00 0.00 O ATOM 0 H ASP A 45 -6.037 11.176 1.775 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.969 8.573 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.778 10.715 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.568 9.151 0.489 1.00 0.00 H new ATOM 531 N GLU A 46 -5.338 8.953 -0.342 1.00 0.00 N ATOM 532 CA GLU A 46 -4.696 8.239 -1.440 1.00 0.00 C ATOM 533 C GLU A 46 -3.694 7.218 -0.913 1.00 0.00 C ATOM 534 O GLU A 46 -3.607 6.099 -1.418 1.00 0.00 O ATOM 535 CB GLU A 46 -3.997 9.228 -2.378 1.00 0.00 C ATOM 536 CG GLU A 46 -4.617 9.293 -3.764 1.00 0.00 C ATOM 537 CD GLU A 46 -3.944 8.356 -4.748 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.741 8.072 -4.569 1.00 0.00 O ATOM 539 OE2 GLU A 46 -4.619 7.908 -5.698 1.00 0.00 O ATOM 0 H GLU A 46 -5.121 9.949 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.467 7.706 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.023 10.221 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.948 8.948 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.676 9.044 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.553 10.315 -4.139 1.00 0.00 H new ATOM 546 N LYS A 47 -2.940 7.612 0.107 1.00 0.00 N ATOM 547 CA LYS A 47 -1.941 6.726 0.703 1.00 0.00 C ATOM 548 C LYS A 47 -2.621 5.566 1.423 1.00 0.00 C ATOM 549 O LYS A 47 -2.154 4.428 1.366 1.00 0.00 O ATOM 550 CB LYS A 47 -1.018 7.477 1.678 1.00 0.00 C ATOM 551 CG LYS A 47 -1.318 8.963 1.825 1.00 0.00 C ATOM 552 CD LYS A 47 -0.351 9.634 2.785 1.00 0.00 C ATOM 553 CE LYS A 47 -0.468 9.058 4.188 1.00 0.00 C ATOM 554 NZ LYS A 47 0.590 8.047 4.462 1.00 0.00 N ATOM 0 H LYS A 47 -2.999 8.534 0.538 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.326 6.338 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.090 7.007 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.013 7.360 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.258 9.446 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.339 9.095 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.669 9.508 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.549 10.705 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.398 9.864 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.449 8.600 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.204 7.297 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.915 7.633 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.391 8.504 4.943 1.00 0.00 H new ATOM 568 N PHE A 48 -3.725 5.862 2.098 1.00 0.00 N ATOM 569 CA PHE A 48 -4.471 4.847 2.828 1.00 0.00 C ATOM 570 C PHE A 48 -5.089 3.837 1.868 1.00 0.00 C ATOM 571 O PHE A 48 -5.168 2.645 2.167 1.00 0.00 O ATOM 572 CB PHE A 48 -5.564 5.497 3.678 1.00 0.00 C ATOM 573 CG PHE A 48 -5.731 4.860 5.029 1.00 0.00 C ATOM 574 CD1 PHE A 48 -6.098 3.529 5.141 1.00 0.00 C ATOM 575 CD2 PHE A 48 -5.525 5.594 6.185 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.254 2.940 6.382 1.00 0.00 C ATOM 577 CE2 PHE A 48 -5.678 5.011 7.429 1.00 0.00 C ATOM 578 CZ PHE A 48 -6.044 3.682 7.528 1.00 0.00 C ATOM 0 H PHE A 48 -4.123 6.799 2.154 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.777 4.322 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.331 6.554 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.511 5.444 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.264 2.944 4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.242 6.634 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.540 1.901 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.512 5.594 8.323 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.166 3.225 8.499 1.00 0.00 H new ATOM 588 N LEU A 49 -5.521 4.322 0.709 1.00 0.00 N ATOM 589 CA LEU A 49 -6.126 3.467 -0.302 1.00 0.00 C ATOM 590 C LEU A 49 -5.073 2.555 -0.925 1.00 0.00 C ATOM 591 O LEU A 49 -5.356 1.408 -1.276 1.00 0.00 O ATOM 592 CB LEU A 49 -6.810 4.329 -1.373 1.00 0.00 C ATOM 593 CG LEU A 49 -6.811 3.751 -2.792 1.00 0.00 C ATOM 594 CD1 LEU A 49 -7.598 2.450 -2.840 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.384 4.762 -3.775 1.00 0.00 C ATOM 0 H LEU A 49 -5.462 5.306 0.447 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.881 2.837 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.843 4.500 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.319 5.302 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.782 3.536 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.587 2.055 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.144 1.725 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.628 2.636 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.378 4.337 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.407 5.007 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.777 5.667 -3.761 1.00 0.00 H new ATOM 607 N ARG A 50 -3.857 3.073 -1.059 1.00 0.00 N ATOM 608 CA ARG A 50 -2.757 2.309 -1.635 1.00 0.00 C ATOM 609 C ARG A 50 -2.373 1.147 -0.725 1.00 0.00 C ATOM 610 O ARG A 50 -2.039 0.059 -1.195 1.00 0.00 O ATOM 611 CB ARG A 50 -1.548 3.215 -1.867 1.00 0.00 C ATOM 612 CG ARG A 50 -0.942 3.077 -3.256 1.00 0.00 C ATOM 613 CD ARG A 50 -1.318 4.247 -4.154 1.00 0.00 C ATOM 614 NE ARG A 50 -0.142 4.927 -4.689 1.00 0.00 N ATOM 615 CZ ARG A 50 0.633 5.742 -3.975 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.358 5.980 -2.698 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.683 6.321 -4.539 1.00 0.00 N ATOM 0 H ARG A 50 -3.608 4.021 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.086 1.905 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.846 4.252 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.785 2.987 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.143 3.015 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.282 2.146 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.935 3.888 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.922 4.957 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 50 0.100 4.769 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.450 5.538 -2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.955 6.605 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.898 6.143 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.276 6.945 -3.992 1.00 0.00 H new ATOM 631 N GLU A 51 -2.424 1.388 0.579 1.00 0.00 N ATOM 632 CA GLU A 51 -2.082 0.366 1.562 1.00 0.00 C ATOM 633 C GLU A 51 -3.140 -0.732 1.592 1.00 0.00 C ATOM 634 O GLU A 51 -2.831 -1.898 1.840 1.00 0.00 O ATOM 635 CB GLU A 51 -1.942 0.992 2.951 1.00 0.00 C ATOM 636 CG GLU A 51 -0.647 1.763 3.143 1.00 0.00 C ATOM 637 CD GLU A 51 -0.799 2.931 4.097 1.00 0.00 C ATOM 638 OE1 GLU A 51 -1.319 2.721 5.214 1.00 0.00 O ATOM 639 OE2 GLU A 51 -0.399 4.055 3.729 1.00 0.00 O ATOM 0 H GLU A 51 -2.699 2.284 0.982 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.129 -0.078 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.784 1.663 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.001 0.205 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.121 1.088 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.301 2.131 2.177 1.00 0.00 H new ATOM 646 N SER A 52 -4.387 -0.351 1.336 1.00 0.00 N ATOM 647 CA SER A 52 -5.492 -1.304 1.332 1.00 0.00 C ATOM 648 C SER A 52 -5.824 -1.745 -0.088 1.00 0.00 C ATOM 649 O SER A 52 -6.986 -1.984 -0.420 1.00 0.00 O ATOM 650 CB SER A 52 -6.727 -0.685 1.989 1.00 0.00 C ATOM 651 OG SER A 52 -6.367 0.129 3.093 1.00 0.00 O ATOM 0 H SER A 52 -4.658 0.610 1.129 1.00 0.00 H new ATOM 0 HA SER A 52 -5.186 -2.181 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.272 -0.089 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.400 -1.475 2.321 1.00 0.00 H new ATOM 0 HG SER A 52 -6.012 0.982 2.768 1.00 0.00 H new ATOM 657 N ALA A 53 -4.797 -1.853 -0.925 1.00 0.00 N ATOM 658 CA ALA A 53 -4.979 -2.268 -2.310 1.00 0.00 C ATOM 659 C ALA A 53 -4.236 -3.567 -2.597 1.00 0.00 C ATOM 660 O ALA A 53 -3.102 -3.756 -2.155 1.00 0.00 O ATOM 661 CB ALA A 53 -4.510 -1.170 -3.254 1.00 0.00 C ATOM 0 H ALA A 53 -3.829 -1.658 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.042 -2.445 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.651 -1.492 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.089 -0.264 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.454 -0.966 -3.079 1.00 0.00 H new ATOM 667 N CYS A 54 -4.881 -4.462 -3.341 1.00 0.00 N ATOM 668 CA CYS A 54 -4.281 -5.745 -3.687 1.00 0.00 C ATOM 669 C CYS A 54 -2.953 -5.550 -4.413 1.00 0.00 C ATOM 670 O CYS A 54 -2.919 -5.361 -5.628 1.00 0.00 O ATOM 671 CB CYS A 54 -5.239 -6.560 -4.560 1.00 0.00 C ATOM 672 SG CYS A 54 -6.175 -7.830 -3.649 1.00 0.00 S ATOM 0 H CYS A 54 -5.819 -4.321 -3.715 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.090 -6.289 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.942 -5.881 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.669 -7.043 -5.354 1.00 0.00 H new ATOM 677 N GLY A 55 -1.860 -5.602 -3.657 1.00 0.00 N ATOM 678 CA GLY A 55 -0.544 -5.431 -4.243 1.00 0.00 C ATOM 679 C GLY A 55 -0.358 -4.060 -4.864 1.00 0.00 C ATOM 680 O GLY A 55 -1.269 -3.231 -4.841 1.00 0.00 O ATOM 0 H GLY A 55 -1.863 -5.760 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.215 -5.584 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.387 -6.195 -5.004 1.00 0.00 H new ATOM 684 N PHE A 56 0.826 -3.821 -5.420 1.00 0.00 N ATOM 685 CA PHE A 56 1.130 -2.540 -6.050 1.00 0.00 C ATOM 686 C PHE A 56 1.119 -2.667 -7.569 1.00 0.00 C ATOM 687 O PHE A 56 2.074 -3.159 -8.168 1.00 0.00 O ATOM 688 CB PHE A 56 2.491 -2.028 -5.579 1.00 0.00 C ATOM 689 CG PHE A 56 2.641 -0.537 -5.683 1.00 0.00 C ATOM 690 CD1 PHE A 56 1.669 0.308 -5.169 1.00 0.00 C ATOM 691 CD2 PHE A 56 3.753 0.020 -6.294 1.00 0.00 C ATOM 692 CE1 PHE A 56 1.805 1.680 -5.263 1.00 0.00 C ATOM 693 CE2 PHE A 56 3.893 1.392 -6.391 1.00 0.00 C ATOM 694 CZ PHE A 56 2.917 2.222 -5.875 1.00 0.00 C ATOM 0 H PHE A 56 1.590 -4.496 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 56 0.360 -1.826 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.644 -2.329 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.274 -2.506 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.796 -0.111 -4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.519 -0.625 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.042 2.328 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.764 1.814 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.024 3.294 -5.950 1.00 0.00 H new ATOM 704 N ASP A 57 0.031 -2.218 -8.186 1.00 0.00 N ATOM 705 CA ASP A 57 -0.105 -2.279 -9.638 1.00 0.00 C ATOM 706 C ASP A 57 -0.150 -0.880 -10.240 1.00 0.00 C ATOM 707 O ASP A 57 -0.322 0.110 -9.527 1.00 0.00 O ATOM 708 CB ASP A 57 -1.368 -3.053 -10.020 1.00 0.00 C ATOM 709 CG ASP A 57 -1.103 -4.531 -10.221 1.00 0.00 C ATOM 710 OD1 ASP A 57 -1.098 -5.276 -9.218 1.00 0.00 O ATOM 711 OD2 ASP A 57 -0.897 -4.945 -11.381 1.00 0.00 O ATOM 0 H ASP A 57 -0.769 -1.808 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 57 0.766 -2.798 -10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.119 -2.924 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.784 -2.634 -10.936 1.00 0.00 H new ATOM 716 N GLY A 58 0.005 -0.803 -11.559 1.00 0.00 N ATOM 717 CA GLY A 58 -0.022 0.480 -12.235 1.00 0.00 C ATOM 718 C GLY A 58 -0.954 0.485 -13.430 1.00 0.00 C ATOM 719 O GLY A 58 -0.606 0.992 -14.496 1.00 0.00 O ATOM 0 H GLY A 58 0.149 -1.607 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.334 1.252 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.986 0.736 -12.563 1.00 0.00 H new ATOM 723 N GLN A 59 -2.144 -0.082 -13.253 1.00 0.00 N ATOM 724 CA GLN A 59 -3.129 -0.142 -14.326 1.00 0.00 C ATOM 725 C GLN A 59 -4.449 -0.714 -13.819 1.00 0.00 C ATOM 726 O GLN A 59 -5.525 -0.227 -14.170 1.00 0.00 O ATOM 727 CB GLN A 59 -2.600 -0.987 -15.487 1.00 0.00 C ATOM 728 CG GLN A 59 -2.466 -0.216 -16.790 1.00 0.00 C ATOM 729 CD GLN A 59 -2.866 -1.038 -17.998 1.00 0.00 C ATOM 730 OE1 GLN A 59 -3.730 -1.910 -17.911 1.00 0.00 O ATOM 731 NE2 GLN A 59 -2.236 -0.764 -19.135 1.00 0.00 N ATOM 0 H GLN A 59 -2.449 -0.506 -12.377 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.308 0.873 -14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.627 -1.395 -15.214 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.268 -1.834 -15.643 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.086 0.679 -16.743 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.434 0.116 -16.907 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.526 -0.032 -19.161 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.462 -1.285 -19.982 1.00 0.00 H new ATOM 740 N THR A 60 -4.359 -1.753 -12.994 1.00 0.00 N ATOM 741 CA THR A 60 -5.547 -2.392 -12.440 1.00 0.00 C ATOM 742 C THR A 60 -5.723 -2.032 -10.966 1.00 0.00 C ATOM 743 O THR A 60 -5.258 -2.750 -10.082 1.00 0.00 O ATOM 744 CB THR A 60 -5.453 -3.912 -12.596 1.00 0.00 C ATOM 745 OG1 THR A 60 -4.816 -4.250 -13.814 1.00 0.00 O ATOM 746 CG2 THR A 60 -6.800 -4.600 -12.574 1.00 0.00 C ATOM 0 H THR A 60 -3.477 -2.169 -12.695 1.00 0.00 H new ATOM 0 HA THR A 60 -6.414 -2.028 -12.991 1.00 0.00 H new ATOM 0 HB THR A 60 -4.875 -4.257 -11.739 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.763 -5.225 -13.896 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.661 -5.675 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.296 -4.398 -11.625 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.414 -4.224 -13.392 1.00 0.00 H new ATOM 754 N PRO A 61 -6.403 -0.905 -10.683 1.00 0.00 N ATOM 755 CA PRO A 61 -6.639 -0.452 -9.308 1.00 0.00 C ATOM 756 C PRO A 61 -7.614 -1.355 -8.560 1.00 0.00 C ATOM 757 O PRO A 61 -8.701 -1.655 -9.054 1.00 0.00 O ATOM 758 CB PRO A 61 -7.237 0.944 -9.492 1.00 0.00 C ATOM 759 CG PRO A 61 -7.856 0.917 -10.846 1.00 0.00 C ATOM 760 CD PRO A 61 -6.992 0.010 -11.677 1.00 0.00 C ATOM 0 HA PRO A 61 -5.726 -0.464 -8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.978 1.162 -8.723 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.470 1.715 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.880 0.546 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.898 1.918 -11.276 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.576 -0.529 -12.423 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.225 0.567 -12.215 1.00 0.00 H new ATOM 768 N LYS A 62 -7.220 -1.785 -7.365 1.00 0.00 N ATOM 769 CA LYS A 62 -8.060 -2.651 -6.549 1.00 0.00 C ATOM 770 C LYS A 62 -8.049 -2.204 -5.091 1.00 0.00 C ATOM 771 O LYS A 62 -7.114 -1.542 -4.642 1.00 0.00 O ATOM 772 CB LYS A 62 -7.588 -4.102 -6.654 1.00 0.00 C ATOM 773 CG LYS A 62 -8.253 -4.879 -7.779 1.00 0.00 C ATOM 774 CD LYS A 62 -8.755 -6.234 -7.303 1.00 0.00 C ATOM 775 CE LYS A 62 -7.668 -7.293 -7.398 1.00 0.00 C ATOM 776 NZ LYS A 62 -7.408 -7.696 -8.807 1.00 0.00 N ATOM 0 H LYS A 62 -6.323 -1.547 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.081 -2.581 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.508 -4.114 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.784 -4.608 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.087 -4.301 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.543 -5.019 -8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.099 -6.155 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.613 -6.537 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.749 -6.911 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.962 -8.168 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.875 -8.589 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.313 -7.826 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.855 -6.955 -9.283 1.00 0.00 H new ATOM 790 N VAL A 63 -9.094 -2.572 -4.358 1.00 0.00 N ATOM 791 CA VAL A 63 -9.206 -2.210 -2.951 1.00 0.00 C ATOM 792 C VAL A 63 -9.556 -3.424 -2.099 1.00 0.00 C ATOM 793 O VAL A 63 -10.213 -4.354 -2.567 1.00 0.00 O ATOM 794 CB VAL A 63 -10.273 -1.120 -2.734 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.238 -0.615 -1.300 1.00 0.00 C ATOM 796 CG2 VAL A 63 -10.077 0.023 -3.717 1.00 0.00 C ATOM 0 H VAL A 63 -9.876 -3.121 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.234 -1.822 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.255 -1.558 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.999 0.154 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.435 -1.442 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.255 -0.194 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.840 0.783 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.090 0.462 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.161 -0.355 -4.736 1.00 0.00 H new ATOM 806 N CYS A 64 -9.112 -3.412 -0.847 1.00 0.00 N ATOM 807 CA CYS A 64 -9.379 -4.515 0.068 1.00 0.00 C ATOM 808 C CYS A 64 -10.521 -4.173 1.017 1.00 0.00 C ATOM 809 O CYS A 64 -10.475 -3.170 1.729 1.00 0.00 O ATOM 810 CB CYS A 64 -8.122 -4.859 0.867 1.00 0.00 C ATOM 811 SG CYS A 64 -7.066 -6.124 0.089 1.00 0.00 S ATOM 0 H CYS A 64 -8.566 -2.651 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.672 -5.381 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.536 -3.951 1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.418 -5.207 1.857 1.00 0.00 H new ATOM 816 N CYS A 65 -11.547 -5.017 1.022 1.00 0.00 N ATOM 817 CA CYS A 65 -12.705 -4.816 1.881 1.00 0.00 C ATOM 818 C CYS A 65 -12.980 -6.066 2.718 1.00 0.00 C ATOM 819 O CYS A 65 -13.186 -7.150 2.172 1.00 0.00 O ATOM 820 CB CYS A 65 -13.935 -4.474 1.037 1.00 0.00 C ATOM 821 SG CYS A 65 -14.219 -2.688 0.822 1.00 0.00 S ATOM 0 H CYS A 65 -11.599 -5.851 0.437 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.492 -3.986 2.555 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.827 -4.934 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.816 -4.917 1.502 1.00 0.00 H new ATOM 826 N PRO A 66 -12.986 -5.937 4.058 1.00 0.00 N ATOM 827 CA PRO A 66 -13.233 -7.072 4.955 1.00 0.00 C ATOM 828 C PRO A 66 -14.604 -7.704 4.728 1.00 0.00 C ATOM 829 O PRO A 66 -14.710 -8.779 4.139 1.00 0.00 O ATOM 830 CB PRO A 66 -13.145 -6.460 6.360 1.00 0.00 C ATOM 831 CG PRO A 66 -13.304 -4.990 6.164 1.00 0.00 C ATOM 832 CD PRO A 66 -12.748 -4.689 4.802 1.00 0.00 C ATOM 0 HA PRO A 66 -12.518 -7.878 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.925 -6.856 7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.190 -6.692 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.352 -4.699 6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.770 -4.434 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.254 -3.842 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.687 -4.442 4.846 1.00 0.00 H new TER 840 PRO A 66