USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 453 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 11 ASN :FLIP amide:sc= -1.45! C(o=-3.3!,f=-2.3!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -120:sc= 0.0783 (180deg=-1.83) USER MOD Set 1.3: A 59 LYS NZ :NH3+ -148:sc= -0.92 (180deg=-2.18!) USER MOD Set 2.1: A 2 LYS NZ :NH3+ -146:sc= 0.483 (180deg=0.0313) USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 35 TYR OH : rot -172:sc= 0.993 USER MOD Set 3.2: A 46 TYR OH : rot -28:sc= -0.338! USER MOD Single : A 1 LYS N :NH3+ -128:sc= 0.0868 (180deg=-1.56!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -70:sc= -3.07! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.867 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc=-0.00449 (180deg=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -91:sc= -4.5! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.487 K(o=-0.49,f=-6.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -1.14 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0419 F(o=-1.1,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.977 13.914 1.855 1.00 0.00 N ATOM 2 CA LYS A 1 5.832 12.463 1.550 1.00 0.00 C ATOM 3 C LYS A 1 5.059 11.784 2.681 1.00 0.00 C ATOM 4 O LYS A 1 4.784 12.383 3.703 1.00 0.00 O ATOM 5 CB LYS A 1 7.217 11.829 1.409 1.00 0.00 C ATOM 6 CG LYS A 1 7.926 12.431 0.194 1.00 0.00 C ATOM 7 CD LYS A 1 9.213 11.655 -0.087 1.00 0.00 C ATOM 8 CE LYS A 1 9.728 12.013 -1.482 1.00 0.00 C ATOM 9 NZ LYS A 1 10.808 11.064 -1.873 1.00 0.00 N ATOM 0 H1 LYS A 1 5.649 14.474 1.042 1.00 0.00 H new ATOM 0 H2 LYS A 1 5.407 14.152 2.692 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.976 14.131 2.044 1.00 0.00 H new ATOM 0 HA LYS A 1 5.287 12.336 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.804 12.004 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.125 10.749 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.271 12.395 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.155 13.481 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 1 9.966 11.895 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 1 9.026 10.583 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.913 11.970 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 1 10.107 13.035 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 11.158 11.308 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 11.589 11.126 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 10.432 10.094 -1.881 1.00 0.00 H new ATOM 25 N LYS A 2 4.691 10.544 2.507 1.00 0.00 N ATOM 26 CA LYS A 2 3.920 9.852 3.577 1.00 0.00 C ATOM 27 C LYS A 2 4.001 8.333 3.403 1.00 0.00 C ATOM 28 O LYS A 2 3.900 7.813 2.310 1.00 0.00 O ATOM 29 CB LYS A 2 2.460 10.285 3.492 1.00 0.00 C ATOM 30 CG LYS A 2 1.628 9.441 4.453 1.00 0.00 C ATOM 31 CD LYS A 2 0.203 9.982 4.496 1.00 0.00 C ATOM 32 CE LYS A 2 -0.528 9.588 3.213 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.888 10.195 3.208 1.00 0.00 N ATOM 0 H LYS A 2 4.889 9.985 1.677 1.00 0.00 H new ATOM 0 HA LYS A 2 4.342 10.118 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.367 11.342 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.092 10.166 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.624 8.400 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.068 9.464 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.323 9.584 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.217 11.067 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.035 9.925 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.603 8.503 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.554 9.552 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.200 10.356 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.862 11.102 2.699 1.00 0.00 H new ATOM 47 N ASP A 3 4.159 7.621 4.484 1.00 0.00 N ATOM 48 CA ASP A 3 4.220 6.137 4.416 1.00 0.00 C ATOM 49 C ASP A 3 2.836 5.609 4.800 1.00 0.00 C ATOM 50 O ASP A 3 2.107 6.265 5.518 1.00 0.00 O ATOM 51 CB ASP A 3 5.243 5.639 5.433 1.00 0.00 C ATOM 52 CG ASP A 3 6.310 6.716 5.660 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.035 7.010 4.723 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.382 7.229 6.764 1.00 0.00 O ATOM 0 H ASP A 3 4.249 8.011 5.422 1.00 0.00 H new ATOM 0 HA ASP A 3 4.505 5.799 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.748 5.399 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.709 4.721 5.075 1.00 0.00 H new ATOM 59 N GLY A 4 2.449 4.447 4.357 1.00 0.00 N ATOM 60 CA GLY A 4 1.096 3.955 4.759 1.00 0.00 C ATOM 61 C GLY A 4 0.566 2.897 3.790 1.00 0.00 C ATOM 62 O GLY A 4 1.292 2.343 2.990 1.00 0.00 O ATOM 0 H GLY A 4 2.990 3.829 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.145 3.536 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.401 4.794 4.798 1.00 0.00 H new ATOM 66 N TYR A 5 -0.712 2.615 3.883 1.00 0.00 N ATOM 67 CA TYR A 5 -1.351 1.590 3.000 1.00 0.00 C ATOM 68 C TYR A 5 -2.124 2.288 1.869 1.00 0.00 C ATOM 69 O TYR A 5 -3.211 2.788 2.089 1.00 0.00 O ATOM 70 CB TYR A 5 -2.349 0.767 3.824 1.00 0.00 C ATOM 71 CG TYR A 5 -1.628 -0.164 4.773 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.706 -1.096 4.282 1.00 0.00 C ATOM 73 CD2 TYR A 5 -1.903 -0.111 6.147 1.00 0.00 C ATOM 74 CE1 TYR A 5 -0.062 -1.976 5.162 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.254 -0.986 7.026 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.335 -1.920 6.534 1.00 0.00 C ATOM 77 OH TYR A 5 0.299 -2.786 7.401 1.00 0.00 O ATOM 0 H TYR A 5 -1.348 3.060 4.545 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.576 0.947 2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.999 1.436 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.988 0.189 3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.491 -1.137 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.616 0.605 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.645 -2.698 4.782 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.463 -0.940 8.085 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.035 -3.696 7.257 1.00 0.00 H new ATOM 87 N PRO A 6 -1.548 2.303 0.692 1.00 0.00 N ATOM 88 CA PRO A 6 -2.180 2.939 -0.483 1.00 0.00 C ATOM 89 C PRO A 6 -3.466 2.196 -0.883 1.00 0.00 C ATOM 90 O PRO A 6 -3.439 1.025 -1.208 1.00 0.00 O ATOM 91 CB PRO A 6 -1.129 2.823 -1.596 1.00 0.00 C ATOM 92 CG PRO A 6 0.076 2.028 -1.031 1.00 0.00 C ATOM 93 CD PRO A 6 -0.228 1.701 0.438 1.00 0.00 C ATOM 0 HA PRO A 6 -2.468 3.971 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.548 2.315 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.812 3.812 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.232 1.113 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.992 2.614 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.245 0.625 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.531 2.117 1.101 1.00 0.00 H new ATOM 101 N VAL A 7 -4.589 2.870 -0.874 1.00 0.00 N ATOM 102 CA VAL A 7 -5.872 2.203 -1.267 1.00 0.00 C ATOM 103 C VAL A 7 -6.464 2.904 -2.494 1.00 0.00 C ATOM 104 O VAL A 7 -6.345 4.103 -2.649 1.00 0.00 O ATOM 105 CB VAL A 7 -6.866 2.273 -0.108 1.00 0.00 C ATOM 106 CG1 VAL A 7 -6.149 1.906 1.189 1.00 0.00 C ATOM 107 CG2 VAL A 7 -7.439 3.690 0.004 1.00 0.00 C ATOM 0 H VAL A 7 -4.675 3.852 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.673 1.159 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.683 1.574 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.853 1.954 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.749 0.895 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.332 2.607 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.147 3.732 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.629 4.397 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.950 3.950 -0.923 1.00 0.00 H new ATOM 117 N ASP A 8 -7.101 2.170 -3.369 1.00 0.00 N ATOM 118 CA ASP A 8 -7.694 2.812 -4.579 1.00 0.00 C ATOM 119 C ASP A 8 -9.011 3.501 -4.201 1.00 0.00 C ATOM 120 O ASP A 8 -9.308 3.693 -3.039 1.00 0.00 O ATOM 121 CB ASP A 8 -7.944 1.756 -5.661 1.00 0.00 C ATOM 122 CG ASP A 8 -9.039 0.789 -5.208 1.00 0.00 C ATOM 123 OD1 ASP A 8 -9.282 0.717 -4.017 1.00 0.00 O ATOM 124 OD2 ASP A 8 -9.615 0.135 -6.062 1.00 0.00 O ATOM 0 H ASP A 8 -7.236 1.161 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.000 3.556 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.238 2.241 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.024 1.207 -5.864 1.00 0.00 H new ATOM 129 N SER A 9 -9.796 3.885 -5.173 1.00 0.00 N ATOM 130 CA SER A 9 -11.086 4.576 -4.868 1.00 0.00 C ATOM 131 C SER A 9 -12.078 3.597 -4.234 1.00 0.00 C ATOM 132 O SER A 9 -13.172 3.970 -3.858 1.00 0.00 O ATOM 133 CB SER A 9 -11.684 5.134 -6.161 1.00 0.00 C ATOM 134 OG SER A 9 -12.324 4.085 -6.876 1.00 0.00 O ATOM 0 H SER A 9 -9.601 3.751 -6.165 1.00 0.00 H new ATOM 0 HA SER A 9 -10.892 5.389 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.400 5.923 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.901 5.582 -6.773 1.00 0.00 H new ATOM 0 HG SER A 9 -12.709 4.441 -7.704 1.00 0.00 H new ATOM 140 N GLY A 10 -11.715 2.351 -4.113 1.00 0.00 N ATOM 141 CA GLY A 10 -12.652 1.364 -3.505 1.00 0.00 C ATOM 142 C GLY A 10 -12.190 1.008 -2.091 1.00 0.00 C ATOM 143 O GLY A 10 -12.792 0.190 -1.424 1.00 0.00 O ATOM 0 H GLY A 10 -10.814 1.974 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.660 1.778 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.696 0.465 -4.120 1.00 0.00 H new ATOM 147 N ASN A 11 -11.123 1.601 -1.627 1.00 0.00 N ATOM 148 CA ASN A 11 -10.633 1.277 -0.260 1.00 0.00 C ATOM 149 C ASN A 11 -9.959 -0.090 -0.301 1.00 0.00 C ATOM 150 O ASN A 11 -10.135 -0.921 0.568 1.00 0.00 O ATOM 151 CB ASN A 11 -11.806 1.250 0.726 1.00 0.00 C ATOM 152 CG ASN A 11 -11.568 2.280 1.824 1.00 0.00 C ATOM 153 OD1 ASN A 11 -11.243 3.483 1.479 1.00 0.00 O flip ATOM 154 ND2 ASN A 11 -11.677 1.983 2.997 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.572 2.293 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.922 2.035 0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.739 1.467 0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.907 0.256 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.934 1.032 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.512 2.685 3.718 1.00 0.00 H new ATOM 161 N CYS A 12 -9.181 -0.316 -1.316 1.00 0.00 N ATOM 162 CA CYS A 12 -8.472 -1.613 -1.451 1.00 0.00 C ATOM 163 C CYS A 12 -6.972 -1.362 -1.317 1.00 0.00 C ATOM 164 O CYS A 12 -6.361 -0.727 -2.156 1.00 0.00 O ATOM 165 CB CYS A 12 -8.769 -2.216 -2.823 1.00 0.00 C ATOM 166 SG CYS A 12 -9.876 -3.636 -2.635 1.00 0.00 S ATOM 0 H CYS A 12 -9.004 0.351 -2.067 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.806 -2.305 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.228 -1.467 -3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.841 -2.526 -3.304 1.00 0.00 H new ATOM 171 N LYS A 13 -6.377 -1.845 -0.264 1.00 0.00 N ATOM 172 CA LYS A 13 -4.918 -1.628 -0.068 1.00 0.00 C ATOM 173 C LYS A 13 -4.137 -2.590 -0.968 1.00 0.00 C ATOM 174 O LYS A 13 -4.180 -3.790 -0.787 1.00 0.00 O ATOM 175 CB LYS A 13 -4.564 -1.897 1.396 1.00 0.00 C ATOM 176 CG LYS A 13 -5.531 -1.138 2.309 1.00 0.00 C ATOM 177 CD LYS A 13 -6.018 -2.069 3.423 1.00 0.00 C ATOM 178 CE LYS A 13 -4.949 -2.165 4.515 1.00 0.00 C ATOM 179 NZ LYS A 13 -5.403 -1.422 5.725 1.00 0.00 N ATOM 0 H LYS A 13 -6.839 -2.381 0.471 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.659 -0.601 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.617 -2.966 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.539 -1.584 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.035 -0.268 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.379 -0.769 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.950 -1.692 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.228 -3.059 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.763 -3.209 4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.007 -1.751 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.676 -1.488 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.559 -0.423 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.291 -1.836 6.074 1.00 0.00 H new ATOM 193 N TYR A 14 -3.422 -2.077 -1.937 1.00 0.00 N ATOM 194 CA TYR A 14 -2.645 -2.974 -2.842 1.00 0.00 C ATOM 195 C TYR A 14 -1.941 -4.041 -2.010 1.00 0.00 C ATOM 196 O TYR A 14 -0.979 -3.776 -1.316 1.00 0.00 O ATOM 197 CB TYR A 14 -1.618 -2.159 -3.626 1.00 0.00 C ATOM 198 CG TYR A 14 -2.315 -0.978 -4.252 1.00 0.00 C ATOM 199 CD1 TYR A 14 -3.194 -1.180 -5.321 1.00 0.00 C ATOM 200 CD2 TYR A 14 -2.091 0.313 -3.766 1.00 0.00 C ATOM 201 CE1 TYR A 14 -3.849 -0.093 -5.905 1.00 0.00 C ATOM 202 CE2 TYR A 14 -2.746 1.404 -4.351 1.00 0.00 C ATOM 203 CZ TYR A 14 -3.626 1.200 -5.422 1.00 0.00 C ATOM 204 OH TYR A 14 -4.276 2.274 -6.001 1.00 0.00 O ATOM 0 H TYR A 14 -3.343 -1.080 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.323 -3.455 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.820 -1.820 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.154 -2.776 -4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.367 -2.178 -5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.413 0.469 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.528 -0.251 -6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.573 2.402 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.011 3.101 -5.546 1.00 0.00 H new ATOM 214 N GLU A 15 -2.433 -5.243 -2.069 1.00 0.00 N ATOM 215 CA GLU A 15 -1.830 -6.351 -1.278 1.00 0.00 C ATOM 216 C GLU A 15 -0.546 -6.842 -1.940 1.00 0.00 C ATOM 217 O GLU A 15 -0.159 -6.383 -2.995 1.00 0.00 O ATOM 218 CB GLU A 15 -2.821 -7.504 -1.217 1.00 0.00 C ATOM 219 CG GLU A 15 -3.437 -7.579 0.182 1.00 0.00 C ATOM 220 CD GLU A 15 -4.928 -7.904 0.066 1.00 0.00 C ATOM 221 OE1 GLU A 15 -5.399 -8.038 -1.051 1.00 0.00 O ATOM 222 OE2 GLU A 15 -5.573 -8.011 1.096 1.00 0.00 O ATOM 0 H GLU A 15 -3.237 -5.510 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.598 -5.988 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.604 -7.364 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.318 -8.442 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.932 -8.343 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.300 -6.631 0.703 1.00 0.00 H new ATOM 229 N CYS A 16 0.118 -7.780 -1.321 1.00 0.00 N ATOM 230 CA CYS A 16 1.378 -8.310 -1.905 1.00 0.00 C ATOM 231 C CYS A 16 1.700 -9.671 -1.272 1.00 0.00 C ATOM 232 O CYS A 16 1.004 -10.135 -0.392 1.00 0.00 O ATOM 233 CB CYS A 16 2.482 -7.268 -1.686 1.00 0.00 C ATOM 234 SG CYS A 16 3.853 -7.930 -0.720 1.00 0.00 S ATOM 0 H CYS A 16 -0.160 -8.201 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 16 1.285 -8.479 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.852 -6.923 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.065 -6.400 -1.176 1.00 0.00 H new ATOM 239 N LEU A 17 2.744 -10.319 -1.720 1.00 0.00 N ATOM 240 CA LEU A 17 3.091 -11.650 -1.147 1.00 0.00 C ATOM 241 C LEU A 17 4.538 -11.649 -0.641 1.00 0.00 C ATOM 242 O LEU A 17 4.938 -12.520 0.106 1.00 0.00 O ATOM 243 CB LEU A 17 2.950 -12.741 -2.218 1.00 0.00 C ATOM 244 CG LEU A 17 1.901 -12.344 -3.264 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.209 -13.054 -4.585 1.00 0.00 C ATOM 246 CD2 LEU A 17 0.511 -12.763 -2.778 1.00 0.00 C ATOM 0 H LEU A 17 3.368 -9.985 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 17 2.410 -11.852 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.911 -12.906 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.665 -13.683 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 17 1.926 -11.264 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.465 -12.774 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.200 -12.761 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.182 -14.133 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.235 -12.481 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.487 -13.843 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.290 -12.264 -1.835 1.00 0.00 H new ATOM 258 N LYS A 18 5.337 -10.696 -1.044 1.00 0.00 N ATOM 259 CA LYS A 18 6.753 -10.688 -0.573 1.00 0.00 C ATOM 260 C LYS A 18 7.282 -9.253 -0.477 1.00 0.00 C ATOM 261 O LYS A 18 6.656 -8.312 -0.924 1.00 0.00 O ATOM 262 CB LYS A 18 7.618 -11.494 -1.547 1.00 0.00 C ATOM 263 CG LYS A 18 7.439 -10.950 -2.965 1.00 0.00 C ATOM 264 CD LYS A 18 7.847 -12.020 -3.981 1.00 0.00 C ATOM 265 CE LYS A 18 6.807 -13.143 -3.983 1.00 0.00 C ATOM 266 NZ LYS A 18 7.191 -14.181 -4.982 1.00 0.00 N ATOM 0 H LYS A 18 5.076 -9.934 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 18 6.796 -11.140 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.666 -11.434 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.337 -12.547 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.401 -10.659 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.046 -10.055 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.926 -11.581 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.829 -12.420 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.736 -13.588 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.823 -12.740 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.483 -14.943 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.237 -13.752 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.122 -14.574 -4.734 1.00 0.00 H new ATOM 280 N ASP A 19 8.435 -9.091 0.117 1.00 0.00 N ATOM 281 CA ASP A 19 9.033 -7.734 0.272 1.00 0.00 C ATOM 282 C ASP A 19 9.366 -7.146 -1.100 1.00 0.00 C ATOM 283 O ASP A 19 9.300 -5.951 -1.305 1.00 0.00 O ATOM 284 CB ASP A 19 10.319 -7.854 1.094 1.00 0.00 C ATOM 285 CG ASP A 19 10.294 -6.860 2.252 1.00 0.00 C ATOM 286 OD1 ASP A 19 9.520 -5.927 2.184 1.00 0.00 O ATOM 287 OD2 ASP A 19 11.051 -7.051 3.189 1.00 0.00 O ATOM 0 H ASP A 19 8.994 -9.851 0.506 1.00 0.00 H new ATOM 0 HA ASP A 19 8.321 -7.079 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.422 -8.869 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.185 -7.664 0.460 1.00 0.00 H new ATOM 292 N ASP A 20 9.737 -7.971 -2.038 1.00 0.00 N ATOM 293 CA ASP A 20 10.091 -7.456 -3.394 1.00 0.00 C ATOM 294 C ASP A 20 8.905 -6.683 -3.980 1.00 0.00 C ATOM 295 O ASP A 20 9.022 -5.524 -4.310 1.00 0.00 O ATOM 296 CB ASP A 20 10.491 -8.648 -4.292 1.00 0.00 C ATOM 297 CG ASP A 20 9.550 -8.786 -5.499 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.589 -7.920 -6.357 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.809 -9.754 -5.541 1.00 0.00 O ATOM 0 H ASP A 20 9.811 -8.982 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 20 10.935 -6.769 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.515 -8.514 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.471 -9.568 -3.707 1.00 0.00 H new ATOM 304 N TYR A 21 7.770 -7.308 -4.123 1.00 0.00 N ATOM 305 CA TYR A 21 6.608 -6.577 -4.697 1.00 0.00 C ATOM 306 C TYR A 21 6.439 -5.249 -3.961 1.00 0.00 C ATOM 307 O TYR A 21 6.278 -4.211 -4.564 1.00 0.00 O ATOM 308 CB TYR A 21 5.331 -7.402 -4.539 1.00 0.00 C ATOM 309 CG TYR A 21 4.160 -6.597 -5.057 1.00 0.00 C ATOM 310 CD1 TYR A 21 3.657 -5.528 -4.306 1.00 0.00 C ATOM 311 CD2 TYR A 21 3.582 -6.915 -6.292 1.00 0.00 C ATOM 312 CE1 TYR A 21 2.579 -4.779 -4.790 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.503 -6.165 -6.774 1.00 0.00 C ATOM 314 CZ TYR A 21 2.003 -5.097 -6.023 1.00 0.00 C ATOM 315 OH TYR A 21 0.940 -4.356 -6.499 1.00 0.00 O ATOM 0 H TYR A 21 7.598 -8.281 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 21 6.788 -6.400 -5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.417 -8.339 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.177 -7.661 -3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.101 -5.281 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.969 -7.739 -6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.192 -3.954 -4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.057 -6.411 -7.726 1.00 0.00 H new ATOM 0 HH TYR A 21 0.659 -4.708 -7.369 1.00 0.00 H new ATOM 325 N CYS A 22 6.470 -5.274 -2.658 1.00 0.00 N ATOM 326 CA CYS A 22 6.306 -4.013 -1.888 1.00 0.00 C ATOM 327 C CYS A 22 7.359 -3.001 -2.318 1.00 0.00 C ATOM 328 O CYS A 22 7.099 -1.820 -2.379 1.00 0.00 O ATOM 329 CB CYS A 22 6.454 -4.301 -0.402 1.00 0.00 C ATOM 330 SG CYS A 22 4.935 -3.831 0.457 1.00 0.00 S ATOM 0 H CYS A 22 6.602 -6.114 -2.094 1.00 0.00 H new ATOM 0 HA CYS A 22 5.315 -3.602 -2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.661 -5.360 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.300 -3.747 0.004 1.00 0.00 H new ATOM 335 N ASN A 23 8.540 -3.452 -2.628 1.00 0.00 N ATOM 336 CA ASN A 23 9.608 -2.516 -3.067 1.00 0.00 C ATOM 337 C ASN A 23 9.202 -1.919 -4.403 1.00 0.00 C ATOM 338 O ASN A 23 8.984 -0.736 -4.532 1.00 0.00 O ATOM 339 CB ASN A 23 10.908 -3.300 -3.251 1.00 0.00 C ATOM 340 CG ASN A 23 12.030 -2.353 -3.669 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.622 -1.685 -2.846 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.346 -2.274 -4.926 1.00 0.00 N ATOM 0 H ASN A 23 8.813 -4.434 -2.596 1.00 0.00 H new ATOM 0 HA ASN A 23 9.751 -1.729 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.173 -3.805 -2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.773 -4.074 -4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.094 -1.649 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.846 -2.837 -5.614 1.00 0.00 H new ATOM 349 N ASP A 24 9.095 -2.749 -5.392 1.00 0.00 N ATOM 350 CA ASP A 24 8.694 -2.271 -6.743 1.00 0.00 C ATOM 351 C ASP A 24 7.473 -1.363 -6.613 1.00 0.00 C ATOM 352 O ASP A 24 7.556 -0.171 -6.812 1.00 0.00 O ATOM 353 CB ASP A 24 8.338 -3.482 -7.602 1.00 0.00 C ATOM 354 CG ASP A 24 8.245 -3.069 -9.072 1.00 0.00 C ATOM 355 OD1 ASP A 24 7.414 -2.230 -9.380 1.00 0.00 O ATOM 356 OD2 ASP A 24 9.004 -3.601 -9.865 1.00 0.00 O ATOM 0 H ASP A 24 9.270 -3.752 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 24 9.511 -1.715 -7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.093 -4.259 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.389 -3.905 -7.273 1.00 0.00 H new ATOM 361 N LEU A 25 6.343 -1.926 -6.277 1.00 0.00 N ATOM 362 CA LEU A 25 5.104 -1.107 -6.119 1.00 0.00 C ATOM 363 C LEU A 25 5.465 0.215 -5.438 1.00 0.00 C ATOM 364 O LEU A 25 4.903 1.256 -5.724 1.00 0.00 O ATOM 365 CB LEU A 25 4.105 -1.880 -5.245 1.00 0.00 C ATOM 366 CG LEU A 25 2.795 -1.095 -5.122 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.009 -1.219 -6.425 1.00 0.00 C ATOM 368 CD2 LEU A 25 1.951 -1.667 -3.975 1.00 0.00 C ATOM 0 H LEU A 25 6.224 -2.924 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 25 4.659 -0.906 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.911 -2.860 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.531 -2.050 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 25 3.022 -0.048 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.076 -0.662 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.601 -0.815 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.788 -2.269 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.021 -1.105 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.725 -2.714 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.506 -1.589 -3.040 1.00 0.00 H new ATOM 380 N CYS A 26 6.410 0.173 -4.541 1.00 0.00 N ATOM 381 CA CYS A 26 6.835 1.398 -3.829 1.00 0.00 C ATOM 382 C CYS A 26 7.476 2.383 -4.800 1.00 0.00 C ATOM 383 O CYS A 26 7.138 3.542 -4.829 1.00 0.00 O ATOM 384 CB CYS A 26 7.861 1.008 -2.757 1.00 0.00 C ATOM 385 SG CYS A 26 7.301 1.503 -1.109 1.00 0.00 S ATOM 0 H CYS A 26 6.910 -0.674 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 26 5.965 1.871 -3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.025 -0.069 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.818 1.481 -2.976 1.00 0.00 H new ATOM 390 N LEU A 27 8.413 1.938 -5.577 1.00 0.00 N ATOM 391 CA LEU A 27 9.096 2.847 -6.518 1.00 0.00 C ATOM 392 C LEU A 27 8.107 3.371 -7.575 1.00 0.00 C ATOM 393 O LEU A 27 8.232 4.480 -8.054 1.00 0.00 O ATOM 394 CB LEU A 27 10.276 2.074 -7.140 1.00 0.00 C ATOM 395 CG LEU A 27 10.099 1.924 -8.642 1.00 0.00 C ATOM 396 CD1 LEU A 27 10.532 3.216 -9.336 1.00 0.00 C ATOM 397 CD2 LEU A 27 10.954 0.759 -9.140 1.00 0.00 C ATOM 0 H LEU A 27 8.737 0.971 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 27 9.481 3.728 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.209 2.598 -6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.353 1.089 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 27 9.052 1.726 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.406 3.110 -10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.920 4.044 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.580 3.416 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.828 0.650 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.002 0.955 -8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.642 -0.160 -8.643 1.00 0.00 H new ATOM 409 N GLU A 28 7.133 2.585 -7.945 1.00 0.00 N ATOM 410 CA GLU A 28 6.159 3.044 -8.967 1.00 0.00 C ATOM 411 C GLU A 28 5.295 4.165 -8.394 1.00 0.00 C ATOM 412 O GLU A 28 4.852 5.050 -9.099 1.00 0.00 O ATOM 413 CB GLU A 28 5.264 1.877 -9.392 1.00 0.00 C ATOM 414 CG GLU A 28 4.776 2.106 -10.825 1.00 0.00 C ATOM 415 CD GLU A 28 4.682 0.766 -11.555 1.00 0.00 C ATOM 416 OE1 GLU A 28 4.963 -0.246 -10.934 1.00 0.00 O ATOM 417 OE2 GLU A 28 4.329 0.774 -12.723 1.00 0.00 O ATOM 0 H GLU A 28 6.972 1.645 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 28 6.704 3.416 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.816 0.939 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.413 1.792 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.802 2.595 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.461 2.771 -11.351 1.00 0.00 H new ATOM 424 N ARG A 29 5.045 4.120 -7.122 1.00 0.00 N ATOM 425 CA ARG A 29 4.201 5.161 -6.485 1.00 0.00 C ATOM 426 C ARG A 29 5.042 6.392 -6.129 1.00 0.00 C ATOM 427 O ARG A 29 4.526 7.358 -5.612 1.00 0.00 O ATOM 428 CB ARG A 29 3.575 4.591 -5.212 1.00 0.00 C ATOM 429 CG ARG A 29 2.076 4.384 -5.428 1.00 0.00 C ATOM 430 CD ARG A 29 1.681 2.990 -4.943 1.00 0.00 C ATOM 431 NE ARG A 29 0.833 2.322 -5.981 1.00 0.00 N ATOM 432 CZ ARG A 29 -0.191 2.938 -6.516 1.00 0.00 C ATOM 433 NH1 ARG A 29 -0.621 4.069 -6.026 1.00 0.00 N ATOM 434 NH2 ARG A 29 -0.826 2.388 -7.515 1.00 0.00 N ATOM 0 H ARG A 29 5.392 3.400 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 29 3.421 5.460 -7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.050 3.645 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.742 5.271 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.511 5.143 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.831 4.497 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.573 2.395 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.134 3.062 -4.003 1.00 0.00 H new ATOM 0 HE ARG A 29 1.057 1.372 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.158 4.483 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.420 4.539 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.524 1.483 -7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.624 2.863 -7.936 1.00 0.00 H new ATOM 448 N LYS A 30 6.328 6.345 -6.389 1.00 0.00 N ATOM 449 CA LYS A 30 7.240 7.495 -6.060 1.00 0.00 C ATOM 450 C LYS A 30 7.808 7.291 -4.653 1.00 0.00 C ATOM 451 O LYS A 30 8.482 8.143 -4.108 1.00 0.00 O ATOM 452 CB LYS A 30 6.487 8.844 -6.152 1.00 0.00 C ATOM 453 CG LYS A 30 5.919 9.265 -4.782 1.00 0.00 C ATOM 454 CD LYS A 30 6.823 10.320 -4.136 1.00 0.00 C ATOM 455 CE LYS A 30 6.440 11.708 -4.656 1.00 0.00 C ATOM 456 NZ LYS A 30 7.671 12.523 -4.865 1.00 0.00 N ATOM 0 H LYS A 30 6.794 5.547 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 30 8.055 7.525 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.163 9.616 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.675 8.761 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.912 9.664 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.840 8.395 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.722 10.286 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.867 10.109 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.889 11.617 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.780 12.204 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.446 13.345 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.031 12.849 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.395 11.943 -5.335 1.00 0.00 H new ATOM 470 N ALA A 31 7.534 6.162 -4.065 1.00 0.00 N ATOM 471 CA ALA A 31 8.042 5.887 -2.698 1.00 0.00 C ATOM 472 C ALA A 31 9.482 5.394 -2.780 1.00 0.00 C ATOM 473 O ALA A 31 9.902 4.823 -3.765 1.00 0.00 O ATOM 474 CB ALA A 31 7.175 4.815 -2.036 1.00 0.00 C ATOM 0 H ALA A 31 6.976 5.414 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 31 8.003 6.802 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.549 4.614 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.145 5.166 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.213 3.900 -2.627 1.00 0.00 H new ATOM 480 N ASP A 32 10.239 5.614 -1.749 1.00 0.00 N ATOM 481 CA ASP A 32 11.640 5.175 -1.745 1.00 0.00 C ATOM 482 C ASP A 32 11.707 3.684 -1.433 1.00 0.00 C ATOM 483 O ASP A 32 12.506 2.959 -1.993 1.00 0.00 O ATOM 484 CB ASP A 32 12.371 5.950 -0.663 1.00 0.00 C ATOM 485 CG ASP A 32 13.797 6.256 -1.121 1.00 0.00 C ATOM 486 OD1 ASP A 32 14.574 5.323 -1.235 1.00 0.00 O ATOM 487 OD2 ASP A 32 14.088 7.418 -1.354 1.00 0.00 O ATOM 0 H ASP A 32 9.934 6.088 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 32 12.097 5.354 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.842 6.878 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.392 5.372 0.261 1.00 0.00 H new ATOM 492 N LYS A 33 10.883 3.216 -0.536 1.00 0.00 N ATOM 493 CA LYS A 33 10.929 1.764 -0.201 1.00 0.00 C ATOM 494 C LYS A 33 9.709 1.369 0.629 1.00 0.00 C ATOM 495 O LYS A 33 9.063 2.197 1.241 1.00 0.00 O ATOM 496 CB LYS A 33 12.199 1.468 0.597 1.00 0.00 C ATOM 497 CG LYS A 33 12.160 2.220 1.929 1.00 0.00 C ATOM 498 CD LYS A 33 11.851 1.234 3.058 1.00 0.00 C ATOM 499 CE LYS A 33 12.014 1.933 4.409 1.00 0.00 C ATOM 500 NZ LYS A 33 13.289 1.498 5.047 1.00 0.00 N ATOM 0 H LYS A 33 10.190 3.765 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 33 10.928 1.189 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.286 0.396 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.077 1.768 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.116 2.711 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.402 3.002 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.835 0.854 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.520 0.376 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.014 3.014 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.171 1.694 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.398 1.974 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.271 0.468 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.089 1.748 4.431 1.00 0.00 H new ATOM 514 N GLY A 34 9.387 0.103 0.650 1.00 0.00 N ATOM 515 CA GLY A 34 8.208 -0.349 1.436 1.00 0.00 C ATOM 516 C GLY A 34 8.295 -1.852 1.687 1.00 0.00 C ATOM 517 O GLY A 34 8.786 -2.596 0.863 1.00 0.00 O ATOM 0 H GLY A 34 9.890 -0.635 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.167 0.185 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.290 -0.114 0.898 1.00 0.00 H new ATOM 521 N TYR A 35 7.797 -2.314 2.804 1.00 0.00 N ATOM 522 CA TYR A 35 7.829 -3.777 3.063 1.00 0.00 C ATOM 523 C TYR A 35 6.411 -4.292 3.022 1.00 0.00 C ATOM 524 O TYR A 35 5.470 -3.537 3.079 1.00 0.00 O ATOM 525 CB TYR A 35 8.438 -4.110 4.421 1.00 0.00 C ATOM 526 CG TYR A 35 7.844 -3.235 5.499 1.00 0.00 C ATOM 527 CD1 TYR A 35 6.558 -3.508 5.980 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.578 -2.167 6.031 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.005 -2.717 6.992 1.00 0.00 C ATOM 530 CE2 TYR A 35 8.022 -1.372 7.043 1.00 0.00 C ATOM 531 CZ TYR A 35 6.735 -1.650 7.524 1.00 0.00 C ATOM 532 OH TYR A 35 6.187 -0.878 8.527 1.00 0.00 O ATOM 0 H TYR A 35 7.375 -1.746 3.539 1.00 0.00 H new ATOM 0 HA TYR A 35 8.450 -4.247 2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.260 -5.159 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.518 -3.970 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.992 -4.331 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.571 -1.956 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.013 -2.931 7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.585 -0.546 7.452 1.00 0.00 H new ATOM 0 HH TYR A 35 6.765 -0.105 8.698 1.00 0.00 H new ATOM 542 N CYS A 36 6.253 -5.566 2.917 1.00 0.00 N ATOM 543 CA CYS A 36 4.875 -6.129 2.844 1.00 0.00 C ATOM 544 C CYS A 36 4.345 -6.451 4.239 1.00 0.00 C ATOM 545 O CYS A 36 4.822 -7.341 4.913 1.00 0.00 O ATOM 546 CB CYS A 36 4.884 -7.390 1.981 1.00 0.00 C ATOM 547 SG CYS A 36 3.292 -7.595 1.181 1.00 0.00 S ATOM 0 H CYS A 36 7.009 -6.250 2.878 1.00 0.00 H new ATOM 0 HA CYS A 36 4.216 -5.386 2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.672 -7.322 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.106 -8.261 2.597 1.00 0.00 H new ATOM 552 N TYR A 37 3.339 -5.733 4.662 1.00 0.00 N ATOM 553 CA TYR A 37 2.742 -5.987 5.999 1.00 0.00 C ATOM 554 C TYR A 37 1.650 -7.041 5.843 1.00 0.00 C ATOM 555 O TYR A 37 0.502 -6.728 5.578 1.00 0.00 O ATOM 556 CB TYR A 37 2.136 -4.689 6.539 1.00 0.00 C ATOM 557 CG TYR A 37 1.742 -4.866 7.987 1.00 0.00 C ATOM 558 CD1 TYR A 37 0.669 -5.702 8.329 1.00 0.00 C ATOM 559 CD2 TYR A 37 2.446 -4.188 8.990 1.00 0.00 C ATOM 560 CE1 TYR A 37 0.303 -5.857 9.671 1.00 0.00 C ATOM 561 CE2 TYR A 37 2.079 -4.346 10.332 1.00 0.00 C ATOM 562 CZ TYR A 37 1.008 -5.180 10.672 1.00 0.00 C ATOM 563 OH TYR A 37 0.646 -5.332 11.994 1.00 0.00 O ATOM 0 H TYR A 37 2.904 -4.977 4.133 1.00 0.00 H new ATOM 0 HA TYR A 37 3.503 -6.339 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.856 -3.876 6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.264 -4.412 5.947 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.125 -6.226 7.557 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.272 -3.543 8.728 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.524 -6.500 9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.623 -3.824 11.105 1.00 0.00 H new ATOM 0 HH TYR A 37 1.239 -4.794 12.559 1.00 0.00 H new ATOM 573 N TRP A 38 1.998 -8.289 5.986 1.00 0.00 N ATOM 574 CA TRP A 38 0.979 -9.359 5.829 1.00 0.00 C ATOM 575 C TRP A 38 -0.055 -9.244 6.951 1.00 0.00 C ATOM 576 O TRP A 38 -0.959 -8.437 6.874 1.00 0.00 O ATOM 577 CB TRP A 38 1.656 -10.731 5.865 1.00 0.00 C ATOM 578 CG TRP A 38 1.781 -11.257 4.472 1.00 0.00 C ATOM 579 CD1 TRP A 38 2.587 -10.748 3.511 1.00 0.00 C ATOM 580 CD2 TRP A 38 1.089 -12.387 3.870 1.00 0.00 C ATOM 581 NE1 TRP A 38 2.433 -11.497 2.357 1.00 0.00 N ATOM 582 CE2 TRP A 38 1.519 -12.519 2.530 1.00 0.00 C ATOM 583 CE3 TRP A 38 0.138 -13.303 4.357 1.00 0.00 C ATOM 584 CZ2 TRP A 38 1.021 -13.524 1.699 1.00 0.00 C ATOM 585 CZ3 TRP A 38 -0.366 -14.314 3.526 1.00 0.00 C ATOM 586 CH2 TRP A 38 0.076 -14.425 2.199 1.00 0.00 C ATOM 0 H TRP A 38 2.941 -8.612 6.204 1.00 0.00 H new ATOM 0 HA TRP A 38 0.475 -9.246 4.869 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.641 -10.651 6.326 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.073 -11.421 6.476 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.242 -9.897 3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 38 2.933 -11.317 1.486 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.206 -13.227 5.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.363 -13.605 0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.097 -15.010 3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.314 -15.207 1.564 1.00 0.00 H new ATOM 597 N GLY A 39 0.063 -10.036 7.991 1.00 0.00 N ATOM 598 CA GLY A 39 -0.932 -9.959 9.103 1.00 0.00 C ATOM 599 C GLY A 39 -2.326 -9.757 8.506 1.00 0.00 C ATOM 600 O GLY A 39 -3.180 -9.121 9.090 1.00 0.00 O ATOM 0 H GLY A 39 0.802 -10.728 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.905 -10.872 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.686 -9.135 9.773 1.00 0.00 H new ATOM 604 N LYS A 40 -2.548 -10.279 7.329 1.00 0.00 N ATOM 605 CA LYS A 40 -3.871 -10.104 6.667 1.00 0.00 C ATOM 606 C LYS A 40 -4.106 -8.613 6.438 1.00 0.00 C ATOM 607 O LYS A 40 -5.082 -8.052 6.892 1.00 0.00 O ATOM 608 CB LYS A 40 -4.983 -10.670 7.555 1.00 0.00 C ATOM 609 CG LYS A 40 -4.455 -11.858 8.365 1.00 0.00 C ATOM 610 CD LYS A 40 -3.775 -12.864 7.431 1.00 0.00 C ATOM 611 CE LYS A 40 -4.811 -13.860 6.909 1.00 0.00 C ATOM 612 NZ LYS A 40 -4.379 -14.369 5.578 1.00 0.00 N ATOM 0 H LYS A 40 -1.867 -10.821 6.797 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.880 -10.637 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.351 -9.896 8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.826 -10.985 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.747 -11.511 9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.275 -12.340 8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.305 -12.342 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.984 -13.392 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.921 -14.688 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.786 -13.379 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.082 -15.047 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.295 -13.574 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.457 -14.842 5.670 1.00 0.00 H new ATOM 626 N VAL A 41 -3.208 -7.962 5.747 1.00 0.00 N ATOM 627 CA VAL A 41 -3.375 -6.505 5.506 1.00 0.00 C ATOM 628 C VAL A 41 -2.997 -6.165 4.060 1.00 0.00 C ATOM 629 O VAL A 41 -3.767 -6.389 3.146 1.00 0.00 O ATOM 630 CB VAL A 41 -2.482 -5.728 6.476 1.00 0.00 C ATOM 631 CG1 VAL A 41 -2.644 -4.227 6.235 1.00 0.00 C ATOM 632 CG2 VAL A 41 -2.890 -6.056 7.913 1.00 0.00 C ATOM 0 H VAL A 41 -2.369 -8.378 5.341 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.417 -6.228 5.669 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.442 -6.010 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.007 -3.677 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.357 -3.990 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.684 -3.943 6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.256 -5.504 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.931 -5.773 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.775 -7.126 8.089 1.00 0.00 H new ATOM 642 N SER A 42 -1.833 -5.613 3.834 1.00 0.00 N ATOM 643 CA SER A 42 -1.454 -5.255 2.438 1.00 0.00 C ATOM 644 C SER A 42 0.008 -4.818 2.373 1.00 0.00 C ATOM 645 O SER A 42 0.815 -5.146 3.220 1.00 0.00 O ATOM 646 CB SER A 42 -2.345 -4.108 1.967 1.00 0.00 C ATOM 647 OG SER A 42 -3.359 -3.877 2.937 1.00 0.00 O ATOM 0 H SER A 42 -1.137 -5.397 4.548 1.00 0.00 H new ATOM 0 HA SER A 42 -1.585 -6.127 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.751 -3.206 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.794 -4.352 1.004 1.00 0.00 H new ATOM 0 HG SER A 42 -4.149 -4.415 2.719 1.00 0.00 H new ATOM 653 N CYS A 43 0.342 -4.077 1.355 1.00 0.00 N ATOM 654 CA CYS A 43 1.745 -3.598 1.189 1.00 0.00 C ATOM 655 C CYS A 43 1.945 -2.252 1.892 1.00 0.00 C ATOM 656 O CYS A 43 1.171 -1.329 1.731 1.00 0.00 O ATOM 657 CB CYS A 43 2.048 -3.429 -0.299 1.00 0.00 C ATOM 658 SG CYS A 43 3.451 -4.474 -0.747 1.00 0.00 S ATOM 0 H CYS A 43 -0.302 -3.779 0.623 1.00 0.00 H new ATOM 0 HA CYS A 43 2.417 -4.333 1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.175 -3.700 -0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.272 -2.385 -0.520 1.00 0.00 H new ATOM 663 N TYR A 44 2.996 -2.137 2.654 1.00 0.00 N ATOM 664 CA TYR A 44 3.286 -0.855 3.364 1.00 0.00 C ATOM 665 C TYR A 44 4.430 -0.138 2.647 1.00 0.00 C ATOM 666 O TYR A 44 5.494 -0.694 2.446 1.00 0.00 O ATOM 667 CB TYR A 44 3.706 -1.143 4.804 1.00 0.00 C ATOM 668 CG TYR A 44 3.454 0.079 5.654 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.160 0.358 6.099 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.511 0.929 6.004 1.00 0.00 C ATOM 671 CE1 TYR A 44 1.916 1.479 6.888 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.271 2.053 6.798 1.00 0.00 C ATOM 673 CZ TYR A 44 2.970 2.331 7.242 1.00 0.00 C ATOM 674 OH TYR A 44 2.729 3.437 8.029 1.00 0.00 O ATOM 0 H TYR A 44 3.674 -2.881 2.818 1.00 0.00 H new ATOM 0 HA TYR A 44 2.392 -0.232 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.146 -1.993 5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.761 -1.413 4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.345 -0.298 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.512 0.715 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.913 1.692 7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.086 2.707 7.070 1.00 0.00 H new ATOM 0 HH TYR A 44 3.568 3.919 8.181 1.00 0.00 H new ATOM 684 N CYS A 45 4.222 1.088 2.255 1.00 0.00 N ATOM 685 CA CYS A 45 5.299 1.828 1.542 1.00 0.00 C ATOM 686 C CYS A 45 5.789 3.008 2.361 1.00 0.00 C ATOM 687 O CYS A 45 5.299 3.308 3.434 1.00 0.00 O ATOM 688 CB CYS A 45 4.773 2.356 0.218 1.00 0.00 C ATOM 689 SG CYS A 45 5.300 1.248 -1.105 1.00 0.00 S ATOM 0 H CYS A 45 3.356 1.608 2.397 1.00 0.00 H new ATOM 0 HA CYS A 45 6.124 1.134 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.685 2.421 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.149 3.363 0.038 1.00 0.00 H new ATOM 694 N TYR A 46 6.757 3.678 1.820 1.00 0.00 N ATOM 695 CA TYR A 46 7.351 4.869 2.477 1.00 0.00 C ATOM 696 C TYR A 46 7.831 5.809 1.375 1.00 0.00 C ATOM 697 O TYR A 46 8.817 5.540 0.711 1.00 0.00 O ATOM 698 CB TYR A 46 8.559 4.448 3.307 1.00 0.00 C ATOM 699 CG TYR A 46 8.149 3.538 4.438 1.00 0.00 C ATOM 700 CD1 TYR A 46 8.068 2.160 4.229 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.869 4.070 5.698 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.705 1.312 5.279 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.501 3.226 6.750 1.00 0.00 C ATOM 704 CZ TYR A 46 7.418 1.847 6.539 1.00 0.00 C ATOM 705 OH TYR A 46 7.060 1.015 7.575 1.00 0.00 O ATOM 0 H TYR A 46 7.176 3.443 0.920 1.00 0.00 H new ATOM 0 HA TYR A 46 6.616 5.350 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.282 3.939 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.054 5.332 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.286 1.749 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.937 5.136 5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.646 0.246 5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.281 3.639 7.724 1.00 0.00 H new ATOM 0 HH TYR A 46 6.623 0.215 7.216 1.00 0.00 H new ATOM 715 N GLY A 47 7.145 6.893 1.160 1.00 0.00 N ATOM 716 CA GLY A 47 7.566 7.834 0.082 1.00 0.00 C ATOM 717 C GLY A 47 6.416 8.020 -0.909 1.00 0.00 C ATOM 718 O GLY A 47 6.606 8.470 -2.021 1.00 0.00 O ATOM 0 H GLY A 47 6.313 7.170 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.848 8.795 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.445 7.445 -0.433 1.00 0.00 H new ATOM 722 N LEU A 48 5.221 7.693 -0.506 1.00 0.00 N ATOM 723 CA LEU A 48 4.053 7.870 -1.409 1.00 0.00 C ATOM 724 C LEU A 48 3.623 9.335 -1.337 1.00 0.00 C ATOM 725 O LEU A 48 4.018 10.040 -0.430 1.00 0.00 O ATOM 726 CB LEU A 48 2.906 6.972 -0.930 1.00 0.00 C ATOM 727 CG LEU A 48 3.439 5.571 -0.626 1.00 0.00 C ATOM 728 CD1 LEU A 48 2.283 4.678 -0.168 1.00 0.00 C ATOM 729 CD2 LEU A 48 4.065 4.980 -1.890 1.00 0.00 C ATOM 0 H LEU A 48 5.003 7.309 0.414 1.00 0.00 H new ATOM 0 HA LEU A 48 4.311 7.601 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.446 7.398 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.130 6.918 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 48 4.191 5.629 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.659 3.678 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.832 5.099 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.534 4.620 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.445 3.981 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.311 4.920 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.885 5.617 -2.222 1.00 0.00 H new ATOM 741 N PRO A 49 2.832 9.762 -2.284 1.00 0.00 N ATOM 742 CA PRO A 49 2.357 11.150 -2.313 1.00 0.00 C ATOM 743 C PRO A 49 1.787 11.528 -0.945 1.00 0.00 C ATOM 744 O PRO A 49 1.135 10.738 -0.291 1.00 0.00 O ATOM 745 CB PRO A 49 1.275 11.167 -3.401 1.00 0.00 C ATOM 746 CG PRO A 49 1.366 9.817 -4.159 1.00 0.00 C ATOM 747 CD PRO A 49 2.345 8.915 -3.386 1.00 0.00 C ATOM 0 HA PRO A 49 3.147 11.870 -2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.287 11.294 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.429 12.003 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.384 9.348 -4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.714 9.974 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.849 8.020 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.164 8.581 -4.022 1.00 0.00 H new ATOM 755 N ASP A 50 2.048 12.725 -0.502 1.00 0.00 N ATOM 756 CA ASP A 50 1.545 13.160 0.822 1.00 0.00 C ATOM 757 C ASP A 50 0.044 12.907 0.925 1.00 0.00 C ATOM 758 O ASP A 50 -0.420 12.141 1.746 1.00 0.00 O ATOM 759 CB ASP A 50 1.827 14.649 0.989 1.00 0.00 C ATOM 760 CG ASP A 50 2.873 14.854 2.089 1.00 0.00 C ATOM 761 OD1 ASP A 50 2.878 14.073 3.026 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.650 15.788 1.974 1.00 0.00 O ATOM 0 H ASP A 50 2.593 13.424 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 50 2.048 12.594 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.186 15.069 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.908 15.177 1.244 1.00 0.00 H new ATOM 767 N ASN A 51 -0.711 13.567 0.109 1.00 0.00 N ATOM 768 CA ASN A 51 -2.179 13.418 0.138 1.00 0.00 C ATOM 769 C ASN A 51 -2.611 12.114 -0.544 1.00 0.00 C ATOM 770 O ASN A 51 -3.786 11.869 -0.732 1.00 0.00 O ATOM 771 CB ASN A 51 -2.797 14.607 -0.588 1.00 0.00 C ATOM 772 CG ASN A 51 -2.072 14.840 -1.913 1.00 0.00 C ATOM 773 OD1 ASN A 51 -1.279 14.026 -2.342 1.00 0.00 O ATOM 774 ND2 ASN A 51 -2.323 15.925 -2.589 1.00 0.00 N ATOM 0 H ASN A 51 -0.363 14.219 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.518 13.384 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.856 14.423 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.731 15.499 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.854 16.091 -3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.989 16.608 -2.228 1.00 0.00 H new ATOM 781 N SER A 52 -1.678 11.280 -0.915 1.00 0.00 N ATOM 782 CA SER A 52 -2.043 9.996 -1.584 1.00 0.00 C ATOM 783 C SER A 52 -3.257 9.376 -0.873 1.00 0.00 C ATOM 784 O SER A 52 -3.266 9.263 0.338 1.00 0.00 O ATOM 785 CB SER A 52 -0.861 9.028 -1.506 1.00 0.00 C ATOM 786 OG SER A 52 -1.016 8.018 -2.495 1.00 0.00 O ATOM 0 H SER A 52 -0.678 11.431 -0.784 1.00 0.00 H new ATOM 0 HA SER A 52 -2.290 10.187 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.075 9.565 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.809 8.578 -0.515 1.00 0.00 H new ATOM 0 HG SER A 52 -0.260 7.397 -2.449 1.00 0.00 H new ATOM 792 N PRO A 53 -4.249 8.992 -1.646 1.00 0.00 N ATOM 793 CA PRO A 53 -5.476 8.383 -1.101 1.00 0.00 C ATOM 794 C PRO A 53 -5.148 7.048 -0.430 1.00 0.00 C ATOM 795 O PRO A 53 -4.897 6.057 -1.086 1.00 0.00 O ATOM 796 CB PRO A 53 -6.382 8.159 -2.320 1.00 0.00 C ATOM 797 CG PRO A 53 -5.587 8.581 -3.580 1.00 0.00 C ATOM 798 CD PRO A 53 -4.229 9.130 -3.114 1.00 0.00 C ATOM 0 HA PRO A 53 -5.950 9.012 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.680 7.113 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.296 8.746 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.447 7.730 -4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.134 9.339 -4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.404 8.569 -3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.100 10.171 -3.412 1.00 0.00 H new ATOM 806 N THR A 54 -5.147 7.014 0.871 1.00 0.00 N ATOM 807 CA THR A 54 -4.836 5.745 1.578 1.00 0.00 C ATOM 808 C THR A 54 -6.081 5.271 2.328 1.00 0.00 C ATOM 809 O THR A 54 -7.093 5.942 2.347 1.00 0.00 O ATOM 810 CB THR A 54 -3.687 5.984 2.558 1.00 0.00 C ATOM 811 OG1 THR A 54 -4.044 7.016 3.468 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.445 6.401 1.772 1.00 0.00 C ATOM 0 H THR A 54 -5.348 7.811 1.475 1.00 0.00 H new ATOM 0 HA THR A 54 -4.538 4.979 0.861 1.00 0.00 H new ATOM 0 HB THR A 54 -3.481 5.071 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.308 7.167 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.619 6.574 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.174 5.610 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.655 7.317 1.220 1.00 0.00 H new ATOM 820 N LYS A 55 -6.019 4.117 2.935 1.00 0.00 N ATOM 821 CA LYS A 55 -7.201 3.589 3.675 1.00 0.00 C ATOM 822 C LYS A 55 -7.900 4.727 4.424 1.00 0.00 C ATOM 823 O LYS A 55 -7.273 5.664 4.876 1.00 0.00 O ATOM 824 CB LYS A 55 -6.737 2.530 4.675 1.00 0.00 C ATOM 825 CG LYS A 55 -7.944 1.735 5.175 1.00 0.00 C ATOM 826 CD LYS A 55 -8.670 1.100 3.988 1.00 0.00 C ATOM 827 CE LYS A 55 -9.507 -0.081 4.483 1.00 0.00 C ATOM 828 NZ LYS A 55 -10.188 -0.732 3.328 1.00 0.00 N ATOM 0 H LYS A 55 -5.196 3.514 2.950 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.901 3.146 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.017 1.861 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.229 3.005 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.619 0.962 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.623 2.390 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.310 1.836 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.949 0.763 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.870 -0.802 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.246 0.262 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.218 -0.693 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.937 -0.233 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.885 -1.725 3.261 1.00 0.00 H new ATOM 842 N THR A 56 -9.198 4.650 4.556 1.00 0.00 N ATOM 843 CA THR A 56 -9.945 5.723 5.274 1.00 0.00 C ATOM 844 C THR A 56 -10.688 5.108 6.466 1.00 0.00 C ATOM 845 O THR A 56 -10.103 4.830 7.494 1.00 0.00 O ATOM 846 CB THR A 56 -10.933 6.390 4.305 1.00 0.00 C ATOM 847 OG1 THR A 56 -10.215 6.927 3.201 1.00 0.00 O ATOM 848 CG2 THR A 56 -11.681 7.516 5.022 1.00 0.00 C ATOM 0 H THR A 56 -9.774 3.889 4.197 1.00 0.00 H new ATOM 0 HA THR A 56 -9.253 6.480 5.643 1.00 0.00 H new ATOM 0 HB THR A 56 -11.651 5.650 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.842 7.352 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.380 7.986 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.229 7.106 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.967 8.259 5.377 1.00 0.00 H new ATOM 856 N SER A 57 -11.963 4.883 6.340 1.00 0.00 N ATOM 857 CA SER A 57 -12.728 4.281 7.457 1.00 0.00 C ATOM 858 C SER A 57 -13.778 3.320 6.891 1.00 0.00 C ATOM 859 O SER A 57 -14.958 3.452 7.146 1.00 0.00 O ATOM 860 CB SER A 57 -13.413 5.383 8.266 1.00 0.00 C ATOM 861 OG SER A 57 -13.674 6.494 7.418 1.00 0.00 O ATOM 0 H SER A 57 -12.510 5.092 5.505 1.00 0.00 H new ATOM 0 HA SER A 57 -12.050 3.732 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.344 5.011 8.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.778 5.687 9.098 1.00 0.00 H new ATOM 0 HG SER A 57 -14.115 7.202 7.933 1.00 0.00 H new ATOM 867 N GLY A 58 -13.352 2.352 6.124 1.00 0.00 N ATOM 868 CA GLY A 58 -14.317 1.376 5.537 1.00 0.00 C ATOM 869 C GLY A 58 -13.540 0.251 4.852 1.00 0.00 C ATOM 870 O GLY A 58 -12.372 0.390 4.549 1.00 0.00 O ATOM 0 H GLY A 58 -12.375 2.194 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.960 0.968 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.966 1.876 4.818 1.00 0.00 H new ATOM 874 N LYS A 59 -14.172 -0.863 4.602 1.00 0.00 N ATOM 875 CA LYS A 59 -13.456 -1.986 3.937 1.00 0.00 C ATOM 876 C LYS A 59 -13.591 -1.848 2.419 1.00 0.00 C ATOM 877 O LYS A 59 -14.221 -0.936 1.924 1.00 0.00 O ATOM 878 CB LYS A 59 -14.057 -3.317 4.388 1.00 0.00 C ATOM 879 CG LYS A 59 -13.041 -4.067 5.254 1.00 0.00 C ATOM 880 CD LYS A 59 -12.514 -5.281 4.483 1.00 0.00 C ATOM 881 CE LYS A 59 -10.985 -5.251 4.457 1.00 0.00 C ATOM 882 NZ LYS A 59 -10.527 -3.915 3.988 1.00 0.00 N ATOM 0 H LYS A 59 -15.150 -1.043 4.829 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.401 -1.957 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.973 -3.142 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.327 -3.919 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.216 -3.406 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.507 -4.388 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.861 -6.201 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.905 -5.275 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.589 -5.455 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.606 -6.031 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.634 -4.018 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.248 -3.500 3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.378 -3.292 4.807 1.00 0.00 H new ATOM 896 N CYS A 60 -13.003 -2.744 1.674 1.00 0.00 N ATOM 897 CA CYS A 60 -13.099 -2.654 0.188 1.00 0.00 C ATOM 898 C CYS A 60 -14.446 -3.219 -0.277 1.00 0.00 C ATOM 899 O CYS A 60 -15.196 -3.779 0.498 1.00 0.00 O ATOM 900 CB CYS A 60 -11.956 -3.449 -0.451 1.00 0.00 C ATOM 901 SG CYS A 60 -11.649 -2.820 -2.120 1.00 0.00 S ATOM 0 H CYS A 60 -12.462 -3.533 2.028 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.024 -1.610 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.054 -3.361 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.212 -4.508 -0.490 1.00 0.00 H new ATOM 906 N ASN A 61 -14.758 -3.073 -1.539 1.00 0.00 N ATOM 907 CA ASN A 61 -16.047 -3.592 -2.065 1.00 0.00 C ATOM 908 C ASN A 61 -16.016 -5.123 -2.076 1.00 0.00 C ATOM 909 O ASN A 61 -14.966 -5.719 -1.936 1.00 0.00 O ATOM 910 CB ASN A 61 -16.236 -3.078 -3.491 1.00 0.00 C ATOM 911 CG ASN A 61 -17.016 -1.764 -3.481 1.00 0.00 C ATOM 912 OD1 ASN A 61 -17.106 -1.087 -2.375 1.00 0.00 O flip ATOM 913 ND2 ASN A 61 -17.550 -1.352 -4.491 1.00 0.00 N flip ATOM 0 H ASN A 61 -14.167 -2.612 -2.230 1.00 0.00 H new ATOM 0 HA ASN A 61 -16.869 -3.254 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.265 -2.929 -3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -16.769 -3.821 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.479 -1.884 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.069 -0.474 -4.472 1.00 0.00 H new ATOM 920 N PRO A 62 -17.172 -5.713 -2.246 1.00 0.00 N ATOM 921 CA PRO A 62 -17.306 -7.179 -2.282 1.00 0.00 C ATOM 922 C PRO A 62 -16.494 -7.757 -3.442 1.00 0.00 C ATOM 923 O PRO A 62 -16.975 -7.873 -4.550 1.00 0.00 O ATOM 924 CB PRO A 62 -18.806 -7.432 -2.493 1.00 0.00 C ATOM 925 CG PRO A 62 -19.511 -6.053 -2.567 1.00 0.00 C ATOM 926 CD PRO A 62 -18.433 -4.968 -2.417 1.00 0.00 C ATOM 0 HA PRO A 62 -16.936 -7.652 -1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -18.973 -7.997 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -19.213 -8.026 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -20.036 -5.942 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -20.257 -5.962 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -18.396 -4.323 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -18.633 -4.327 -1.559 1.00 0.00 H new ATOM 934 N ALA A 63 -15.267 -8.122 -3.195 1.00 0.00 N ATOM 935 CA ALA A 63 -14.427 -8.692 -4.284 1.00 0.00 C ATOM 936 C ALA A 63 -13.157 -9.298 -3.683 1.00 0.00 C ATOM 937 O ALA A 63 -12.385 -8.552 -3.104 1.00 0.00 O ATOM 938 CB ALA A 63 -14.047 -7.584 -5.267 1.00 0.00 C ATOM 939 OXT ALA A 63 -12.981 -10.499 -3.809 1.00 0.00 O ATOM 0 H ALA A 63 -14.810 -8.050 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.987 -9.467 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.432 -8.000 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.951 -7.151 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.486 -6.810 -4.743 1.00 0.00 H new TER 945 ALA A 63