USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 80:sc= 0 USER MOD Single : A 48 MET CE :methyl 160:sc= -0.978 (180deg=-1.22) USER MOD Single : A 50 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 150:sc= -0.0193 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.03 USER MOD Single : A 66 MET CE :methyl -107:sc= -0.0477 (180deg=-1.15) USER MOD Single : A 72 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -9.701 -9.842 14.431 1.00 0.00 N ATOM 2 CA GLY A 19 -8.532 -8.944 14.549 1.00 0.00 C ATOM 3 C GLY A 19 -7.657 -9.367 15.715 1.00 0.00 C ATOM 4 O GLY A 19 -7.914 -8.972 16.852 1.00 0.00 O ATOM 0 HA2 GLY A 19 -7.954 -8.966 13.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.867 -7.917 14.691 1.00 0.00 H new ATOM 10 N ASP A 20 -6.640 -10.194 15.455 1.00 0.00 N ATOM 11 CA ASP A 20 -5.890 -10.942 16.478 1.00 0.00 C ATOM 12 C ASP A 20 -4.371 -10.798 16.262 1.00 0.00 C ATOM 13 O ASP A 20 -3.717 -11.671 15.685 1.00 0.00 O ATOM 14 CB ASP A 20 -6.354 -12.412 16.479 1.00 0.00 C ATOM 15 CG ASP A 20 -7.826 -12.558 16.905 1.00 0.00 C ATOM 16 OD1 ASP A 20 -8.727 -12.400 16.046 1.00 0.00 O ATOM 17 OD2 ASP A 20 -8.085 -12.832 18.102 1.00 0.00 O ATOM 0 H ASP A 20 -6.305 -10.368 14.508 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.097 -10.526 17.464 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.223 -12.833 15.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.723 -12.990 17.155 1.00 0.00 H new ATOM 22 N LYS A 21 -3.816 -9.659 16.710 1.00 0.00 N ATOM 23 CA LYS A 21 -2.407 -9.231 16.556 1.00 0.00 C ATOM 24 C LYS A 21 -1.896 -9.188 15.098 1.00 0.00 C ATOM 25 O LYS A 21 -0.688 -9.149 14.858 1.00 0.00 O ATOM 26 CB LYS A 21 -1.476 -10.027 17.503 1.00 0.00 C ATOM 27 CG LYS A 21 -1.751 -9.809 19.005 1.00 0.00 C ATOM 28 CD LYS A 21 -2.755 -10.783 19.651 1.00 0.00 C ATOM 29 CE LYS A 21 -2.262 -12.238 19.723 1.00 0.00 C ATOM 30 NZ LYS A 21 -1.165 -12.416 20.714 1.00 0.00 N ATOM 0 H LYS A 21 -4.368 -8.969 17.220 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.380 -8.185 16.863 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.574 -11.089 17.279 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.443 -9.751 17.292 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.806 -9.882 19.543 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.119 -8.792 19.144 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.982 -10.438 20.660 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.687 -10.754 19.087 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.096 -12.889 19.987 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.913 -12.550 18.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.867 -13.412 20.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.358 -11.816 20.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.504 -12.144 21.659 1.00 0.00 H new ATOM 44 N GLU A 22 -2.798 -9.166 14.116 1.00 0.00 N ATOM 45 CA GLU A 22 -2.500 -8.960 12.700 1.00 0.00 C ATOM 46 C GLU A 22 -1.953 -7.539 12.440 1.00 0.00 C ATOM 47 O GLU A 22 -2.372 -6.569 13.079 1.00 0.00 O ATOM 48 CB GLU A 22 -3.802 -9.231 11.926 1.00 0.00 C ATOM 49 CG GLU A 22 -3.730 -9.031 10.412 1.00 0.00 C ATOM 50 CD GLU A 22 -2.841 -10.076 9.707 1.00 0.00 C ATOM 51 OE1 GLU A 22 -1.606 -10.081 9.936 1.00 0.00 O ATOM 52 OE2 GLU A 22 -3.377 -10.901 8.925 1.00 0.00 O ATOM 0 H GLU A 22 -3.794 -9.296 14.293 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.716 -9.639 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.113 -10.257 12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.581 -8.580 12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.737 -9.079 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.345 -8.033 10.201 1.00 0.00 H new ATOM 59 N GLU A 23 -1.032 -7.413 11.485 1.00 0.00 N ATOM 60 CA GLU A 23 -0.371 -6.160 11.074 1.00 0.00 C ATOM 61 C GLU A 23 -0.332 -6.042 9.533 1.00 0.00 C ATOM 62 O GLU A 23 -1.109 -6.693 8.830 1.00 0.00 O ATOM 63 CB GLU A 23 1.030 -6.061 11.725 1.00 0.00 C ATOM 64 CG GLU A 23 0.987 -6.013 13.261 1.00 0.00 C ATOM 65 CD GLU A 23 2.379 -5.710 13.851 1.00 0.00 C ATOM 66 OE1 GLU A 23 3.209 -6.644 13.985 1.00 0.00 O ATOM 67 OE2 GLU A 23 2.654 -4.533 14.194 1.00 0.00 O ATOM 0 H GLU A 23 -0.706 -8.216 10.947 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.950 -5.308 11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.629 -6.916 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.532 -5.167 11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.279 -5.250 13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.626 -6.966 13.647 1.00 0.00 H new ATOM 74 N CYS A 24 0.523 -5.171 8.980 1.00 0.00 N ATOM 75 CA CYS A 24 0.766 -5.034 7.539 1.00 0.00 C ATOM 76 C CYS A 24 1.485 -6.271 6.946 1.00 0.00 C ATOM 77 O CYS A 24 2.672 -6.236 6.614 1.00 0.00 O ATOM 78 CB CYS A 24 1.516 -3.715 7.276 1.00 0.00 C ATOM 79 SG CYS A 24 0.477 -2.241 7.059 1.00 0.00 S ATOM 0 H CYS A 24 1.080 -4.525 9.539 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.190 -4.991 7.018 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.198 -3.536 8.107 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.128 -3.839 6.382 1.00 0.00 H new ATOM 84 N THR A 25 0.730 -7.357 6.768 1.00 0.00 N ATOM 85 CA THR A 25 1.150 -8.659 6.218 1.00 0.00 C ATOM 86 C THR A 25 0.248 -9.034 5.037 1.00 0.00 C ATOM 87 O THR A 25 -0.963 -8.804 5.074 1.00 0.00 O ATOM 88 CB THR A 25 1.092 -9.741 7.314 1.00 0.00 C ATOM 89 OG1 THR A 25 1.923 -9.369 8.398 1.00 0.00 O ATOM 90 CG2 THR A 25 1.590 -11.109 6.839 1.00 0.00 C ATOM 0 H THR A 25 -0.259 -7.356 7.019 1.00 0.00 H new ATOM 0 HA THR A 25 2.178 -8.587 5.864 1.00 0.00 H new ATOM 0 HB THR A 25 0.042 -9.820 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.882 -10.058 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.523 -11.825 7.658 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.975 -11.451 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.627 -11.026 6.514 1.00 0.00 H new ATOM 98 N VAL A 26 0.826 -9.592 3.965 1.00 0.00 N ATOM 99 CA VAL A 26 0.081 -9.965 2.746 1.00 0.00 C ATOM 100 C VAL A 26 -0.785 -11.216 3.007 1.00 0.00 C ATOM 101 O VAL A 26 -0.289 -12.173 3.612 1.00 0.00 O ATOM 102 CB VAL A 26 1.024 -10.224 1.548 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.269 -10.220 0.221 1.00 0.00 C ATOM 104 CG2 VAL A 26 2.137 -9.172 1.429 1.00 0.00 C ATOM 0 H VAL A 26 1.823 -9.799 3.914 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.562 -9.123 2.490 1.00 0.00 H new ATOM 0 HB VAL A 26 1.459 -11.204 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.967 -10.405 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.491 -11.001 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.208 -9.251 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.768 -9.405 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.693 -8.186 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.742 -9.178 2.336 1.00 0.00 H new ATOM 114 N PRO A 27 -2.054 -11.258 2.553 1.00 0.00 N ATOM 115 CA PRO A 27 -2.911 -12.442 2.647 1.00 0.00 C ATOM 116 C PRO A 27 -2.375 -13.616 1.810 1.00 0.00 C ATOM 117 O PRO A 27 -1.740 -13.428 0.767 1.00 0.00 O ATOM 118 CB PRO A 27 -4.294 -11.981 2.168 1.00 0.00 C ATOM 119 CG PRO A 27 -3.988 -10.797 1.249 1.00 0.00 C ATOM 120 CD PRO A 27 -2.761 -10.172 1.898 1.00 0.00 C ATOM 0 HA PRO A 27 -2.947 -12.825 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.818 -12.775 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.928 -11.685 3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.785 -11.120 0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.821 -10.096 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.129 -9.689 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.049 -9.405 2.617 1.00 0.00 H new ATOM 128 N ILE A 28 -2.660 -14.844 2.255 1.00 0.00 N ATOM 129 CA ILE A 28 -2.216 -16.086 1.605 1.00 0.00 C ATOM 130 C ILE A 28 -2.795 -16.177 0.183 1.00 0.00 C ATOM 131 O ILE A 28 -3.985 -15.939 -0.045 1.00 0.00 O ATOM 132 CB ILE A 28 -2.570 -17.337 2.447 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.962 -17.301 3.874 1.00 0.00 C ATOM 134 CG2 ILE A 28 -2.059 -18.617 1.755 1.00 0.00 C ATOM 135 CD1 ILE A 28 -2.845 -16.628 4.934 1.00 0.00 C ATOM 0 H ILE A 28 -3.217 -15.008 3.094 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.129 -16.059 1.532 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.657 -17.338 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.754 -18.323 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.006 -16.779 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.317 -19.486 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.522 -18.709 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.976 -18.562 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.337 -16.651 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.033 -15.593 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.792 -17.161 5.010 1.00 0.00 H new ATOM 147 N GLY A 29 -1.936 -16.522 -0.777 1.00 0.00 N ATOM 148 CA GLY A 29 -2.263 -16.697 -2.196 1.00 0.00 C ATOM 149 C GLY A 29 -2.162 -15.429 -3.057 1.00 0.00 C ATOM 150 O GLY A 29 -2.173 -15.542 -4.286 1.00 0.00 O ATOM 0 H GLY A 29 -0.950 -16.695 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.598 -17.453 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.278 -17.087 -2.272 1.00 0.00 H new ATOM 154 N TRP A 30 -2.051 -14.230 -2.466 1.00 0.00 N ATOM 155 CA TRP A 30 -1.843 -12.984 -3.206 1.00 0.00 C ATOM 156 C TRP A 30 -0.409 -12.858 -3.760 1.00 0.00 C ATOM 157 O TRP A 30 0.525 -13.500 -3.269 1.00 0.00 O ATOM 158 CB TRP A 30 -2.185 -11.819 -2.274 1.00 0.00 C ATOM 159 CG TRP A 30 -2.753 -10.615 -2.953 1.00 0.00 C ATOM 160 CD1 TRP A 30 -4.015 -10.524 -3.427 1.00 0.00 C ATOM 161 CD2 TRP A 30 -2.123 -9.328 -3.224 1.00 0.00 C ATOM 162 NE1 TRP A 30 -4.211 -9.267 -3.976 1.00 0.00 N ATOM 163 CE2 TRP A 30 -3.080 -8.486 -3.867 1.00 0.00 C ATOM 164 CE3 TRP A 30 -0.849 -8.781 -2.968 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -2.787 -7.163 -4.233 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -0.541 -7.456 -3.335 1.00 0.00 C ATOM 167 CH2 TRP A 30 -1.508 -6.647 -3.962 1.00 0.00 C ATOM 0 H TRP A 30 -2.104 -14.101 -1.456 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.495 -12.974 -4.079 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.899 -12.168 -1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.282 -11.524 -1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.756 -11.309 -3.385 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.083 -8.958 -4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.098 -9.387 -2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.534 -6.550 -4.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.443 -7.058 -3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.267 -5.630 -4.235 1.00 0.00 H new ATOM 178 N SER A 31 -0.217 -12.004 -4.768 1.00 0.00 N ATOM 179 CA SER A 31 1.082 -11.774 -5.426 1.00 0.00 C ATOM 180 C SER A 31 1.948 -10.774 -4.643 1.00 0.00 C ATOM 181 O SER A 31 2.074 -9.610 -5.024 1.00 0.00 O ATOM 182 CB SER A 31 0.875 -11.308 -6.873 1.00 0.00 C ATOM 183 OG SER A 31 0.273 -12.333 -7.653 1.00 0.00 O ATOM 0 H SER A 31 -0.971 -11.440 -5.161 1.00 0.00 H new ATOM 0 HA SER A 31 1.620 -12.722 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.246 -10.418 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.833 -11.028 -7.310 1.00 0.00 H new ATOM 0 HG SER A 31 0.148 -12.015 -8.571 1.00 0.00 H new ATOM 189 N GLU A 32 2.542 -11.226 -3.533 1.00 0.00 N ATOM 190 CA GLU A 32 3.408 -10.435 -2.641 1.00 0.00 C ATOM 191 C GLU A 32 4.592 -9.747 -3.378 1.00 0.00 C ATOM 192 O GLU A 32 5.484 -10.436 -3.887 1.00 0.00 O ATOM 193 CB GLU A 32 3.862 -11.282 -1.431 1.00 0.00 C ATOM 194 CG GLU A 32 4.683 -12.546 -1.735 1.00 0.00 C ATOM 195 CD GLU A 32 4.910 -13.374 -0.452 1.00 0.00 C ATOM 196 OE1 GLU A 32 5.751 -12.978 0.392 1.00 0.00 O ATOM 197 OE2 GLU A 32 4.260 -14.435 -0.284 1.00 0.00 O ATOM 0 H GLU A 32 2.431 -12.189 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 32 2.807 -9.609 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.452 -10.644 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.974 -11.580 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.164 -13.152 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.644 -12.266 -2.167 1.00 0.00 H new ATOM 204 N PRO A 33 4.620 -8.401 -3.495 1.00 0.00 N ATOM 205 CA PRO A 33 5.658 -7.681 -4.236 1.00 0.00 C ATOM 206 C PRO A 33 6.966 -7.567 -3.431 1.00 0.00 C ATOM 207 O PRO A 33 7.029 -6.883 -2.408 1.00 0.00 O ATOM 208 CB PRO A 33 5.047 -6.313 -4.556 1.00 0.00 C ATOM 209 CG PRO A 33 4.081 -6.065 -3.404 1.00 0.00 C ATOM 210 CD PRO A 33 3.611 -7.464 -3.010 1.00 0.00 C ATOM 0 HA PRO A 33 5.945 -8.209 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.811 -5.537 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.531 -6.321 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.572 -5.560 -2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.246 -5.435 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.498 -7.543 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.638 -7.683 -3.449 1.00 0.00 H new ATOM 218 N VAL A 34 8.029 -8.235 -3.899 1.00 0.00 N ATOM 219 CA VAL A 34 9.378 -8.172 -3.294 1.00 0.00 C ATOM 220 C VAL A 34 10.131 -6.868 -3.625 1.00 0.00 C ATOM 221 O VAL A 34 11.003 -6.444 -2.864 1.00 0.00 O ATOM 222 CB VAL A 34 10.193 -9.425 -3.687 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.574 -9.468 -5.174 1.00 0.00 C ATOM 224 CG2 VAL A 34 11.464 -9.589 -2.845 1.00 0.00 C ATOM 0 H VAL A 34 7.982 -8.843 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 34 9.250 -8.163 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 34 9.517 -10.256 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.144 -10.374 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.669 -9.464 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.180 -8.596 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.998 -10.484 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.105 -8.717 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.194 -9.682 -1.793 1.00 0.00 H new ATOM 234 N LYS A 35 9.789 -6.215 -4.749 1.00 0.00 N ATOM 235 CA LYS A 35 10.398 -4.957 -5.217 1.00 0.00 C ATOM 236 C LYS A 35 10.104 -3.748 -4.308 1.00 0.00 C ATOM 237 O LYS A 35 9.228 -3.796 -3.441 1.00 0.00 O ATOM 238 CB LYS A 35 10.022 -4.692 -6.694 1.00 0.00 C ATOM 239 CG LYS A 35 8.572 -4.256 -6.993 1.00 0.00 C ATOM 240 CD LYS A 35 7.608 -5.430 -7.241 1.00 0.00 C ATOM 241 CE LYS A 35 6.191 -4.963 -7.616 1.00 0.00 C ATOM 242 NZ LYS A 35 6.130 -4.333 -8.964 1.00 0.00 N ATOM 0 H LYS A 35 9.060 -6.557 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 35 11.478 -5.088 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.691 -3.922 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.224 -5.601 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.201 -3.664 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.571 -3.606 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.003 -6.057 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.557 -6.049 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.513 -5.816 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.839 -4.250 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.143 -4.099 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.702 -3.464 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.503 -4.995 -9.674 1.00 0.00 H new ATOM 256 N GLY A 36 10.822 -2.650 -4.543 1.00 0.00 N ATOM 257 CA GLY A 36 10.637 -1.351 -3.885 1.00 0.00 C ATOM 258 C GLY A 36 11.410 -0.223 -4.581 1.00 0.00 C ATOM 259 O GLY A 36 12.285 -0.483 -5.413 1.00 0.00 O ATOM 0 H GLY A 36 11.581 -2.638 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.576 -1.103 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.963 -1.424 -2.847 1.00 0.00 H new ATOM 263 N LEU A 37 11.097 1.030 -4.238 1.00 0.00 N ATOM 264 CA LEU A 37 11.734 2.234 -4.791 1.00 0.00 C ATOM 265 C LEU A 37 11.809 3.353 -3.735 1.00 0.00 C ATOM 266 O LEU A 37 11.056 4.331 -3.759 1.00 0.00 O ATOM 267 CB LEU A 37 10.996 2.659 -6.076 1.00 0.00 C ATOM 268 CG LEU A 37 11.757 3.695 -6.926 1.00 0.00 C ATOM 269 CD1 LEU A 37 12.953 3.073 -7.651 1.00 0.00 C ATOM 270 CD2 LEU A 37 10.819 4.282 -7.980 1.00 0.00 C ATOM 0 H LEU A 37 10.375 1.243 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 37 12.766 2.015 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.808 1.774 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.024 3.071 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 37 12.119 4.466 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.461 3.838 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.646 2.658 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.605 2.280 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.359 5.014 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.452 3.484 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.976 4.767 -7.487 1.00 0.00 H new ATOM 282 N CYS A 38 12.721 3.186 -2.780 1.00 0.00 N ATOM 283 CA CYS A 38 13.009 4.165 -1.727 1.00 0.00 C ATOM 284 C CYS A 38 13.568 5.491 -2.293 1.00 0.00 C ATOM 285 O CYS A 38 14.002 5.563 -3.447 1.00 0.00 O ATOM 286 CB CYS A 38 13.978 3.530 -0.714 1.00 0.00 C ATOM 287 SG CYS A 38 13.215 2.065 0.049 1.00 0.00 S ATOM 0 H CYS A 38 13.296 2.346 -2.713 1.00 0.00 H new ATOM 0 HA CYS A 38 12.076 4.426 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.905 3.248 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 38 14.239 4.256 0.056 1.00 0.00 H new ATOM 0 HG CYS A 38 14.044 1.537 0.900 1.00 0.00 H new ATOM 293 N LYS A 39 13.582 6.544 -1.461 1.00 0.00 N ATOM 294 CA LYS A 39 14.058 7.918 -1.733 1.00 0.00 C ATOM 295 C LYS A 39 13.346 8.682 -2.874 1.00 0.00 C ATOM 296 O LYS A 39 13.675 9.846 -3.117 1.00 0.00 O ATOM 297 CB LYS A 39 15.591 7.920 -1.913 1.00 0.00 C ATOM 298 CG LYS A 39 16.420 7.177 -0.846 1.00 0.00 C ATOM 299 CD LYS A 39 16.257 7.757 0.568 1.00 0.00 C ATOM 300 CE LYS A 39 17.278 7.179 1.561 1.00 0.00 C ATOM 301 NZ LYS A 39 17.054 5.736 1.849 1.00 0.00 N ATOM 0 H LYS A 39 13.235 6.455 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 39 13.779 8.490 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.819 7.482 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.928 8.956 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.127 6.127 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.473 7.212 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.367 8.841 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.249 7.552 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.283 7.312 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.229 7.742 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.771 5.401 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.107 5.607 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.127 5.190 0.967 1.00 0.00 H new ATOM 315 N ALA A 40 12.371 8.077 -3.558 1.00 0.00 N ATOM 316 CA ALA A 40 11.574 8.702 -4.618 1.00 0.00 C ATOM 317 C ALA A 40 10.651 9.831 -4.099 1.00 0.00 C ATOM 318 O ALA A 40 10.299 9.881 -2.917 1.00 0.00 O ATOM 319 CB ALA A 40 10.759 7.601 -5.313 1.00 0.00 C ATOM 0 H ALA A 40 12.106 7.108 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 40 12.252 9.183 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.156 8.041 -6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.436 6.861 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.105 7.119 -4.586 1.00 0.00 H new ATOM 325 N ARG A 41 10.204 10.712 -5.010 1.00 0.00 N ATOM 326 CA ARG A 41 9.259 11.820 -4.737 1.00 0.00 C ATOM 327 C ARG A 41 7.775 11.408 -4.693 1.00 0.00 C ATOM 328 O ARG A 41 6.910 12.261 -4.483 1.00 0.00 O ATOM 329 CB ARG A 41 9.499 12.969 -5.740 1.00 0.00 C ATOM 330 CG ARG A 41 9.059 12.652 -7.179 1.00 0.00 C ATOM 331 CD ARG A 41 9.241 13.871 -8.093 1.00 0.00 C ATOM 332 NE ARG A 41 8.732 13.605 -9.454 1.00 0.00 N ATOM 333 CZ ARG A 41 7.486 13.699 -9.887 1.00 0.00 C ATOM 334 NH1 ARG A 41 6.502 14.056 -9.108 1.00 0.00 N ATOM 335 NH2 ARG A 41 7.197 13.430 -11.127 1.00 0.00 N ATOM 0 H ARG A 41 10.496 10.676 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 41 9.473 12.161 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.965 13.854 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.560 13.218 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.641 11.815 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.014 12.343 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.718 14.728 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.297 14.136 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 41 9.425 13.314 -10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.681 14.274 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.554 14.117 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.934 13.144 -11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.234 13.505 -11.454 1.00 0.00 H new ATOM 349 N PHE A 42 7.472 10.130 -4.913 1.00 0.00 N ATOM 350 CA PHE A 42 6.139 9.544 -4.995 1.00 0.00 C ATOM 351 C PHE A 42 6.110 8.211 -4.235 1.00 0.00 C ATOM 352 O PHE A 42 7.029 7.392 -4.324 1.00 0.00 O ATOM 353 CB PHE A 42 5.724 9.373 -6.468 1.00 0.00 C ATOM 354 CG PHE A 42 6.611 8.463 -7.305 1.00 0.00 C ATOM 355 CD1 PHE A 42 7.722 8.993 -7.990 1.00 0.00 C ATOM 356 CD2 PHE A 42 6.328 7.086 -7.410 1.00 0.00 C ATOM 357 CE1 PHE A 42 8.547 8.157 -8.763 1.00 0.00 C ATOM 358 CE2 PHE A 42 7.153 6.247 -8.180 1.00 0.00 C ATOM 359 CZ PHE A 42 8.262 6.784 -8.858 1.00 0.00 C ATOM 0 H PHE A 42 8.202 9.431 -5.048 1.00 0.00 H new ATOM 0 HA PHE A 42 5.416 10.212 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.707 8.983 -6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.701 10.357 -6.936 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.941 10.048 -7.921 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.473 6.673 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.399 8.570 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.935 5.192 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.895 6.141 -9.452 1.00 0.00 H new ATOM 369 N THR A 43 5.033 8.014 -3.484 1.00 0.00 N ATOM 370 CA THR A 43 4.734 6.823 -2.670 1.00 0.00 C ATOM 371 C THR A 43 3.236 6.496 -2.744 1.00 0.00 C ATOM 372 O THR A 43 2.410 7.413 -2.791 1.00 0.00 O ATOM 373 CB THR A 43 5.135 7.060 -1.199 1.00 0.00 C ATOM 374 OG1 THR A 43 6.429 7.622 -1.078 1.00 0.00 O ATOM 375 CG2 THR A 43 5.184 5.748 -0.432 1.00 0.00 C ATOM 0 H THR A 43 4.297 8.717 -3.417 1.00 0.00 H new ATOM 0 HA THR A 43 5.308 5.985 -3.065 1.00 0.00 H new ATOM 0 HB THR A 43 4.382 7.740 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.640 7.756 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.469 5.942 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.202 5.276 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.916 5.085 -0.892 1.00 0.00 H new ATOM 383 N ARG A 44 2.866 5.207 -2.736 1.00 0.00 N ATOM 384 CA ARG A 44 1.477 4.715 -2.765 1.00 0.00 C ATOM 385 C ARG A 44 1.204 3.800 -1.562 1.00 0.00 C ATOM 386 O ARG A 44 2.132 3.217 -1.004 1.00 0.00 O ATOM 387 CB ARG A 44 1.276 3.990 -4.110 1.00 0.00 C ATOM 388 CG ARG A 44 -0.175 3.933 -4.609 1.00 0.00 C ATOM 389 CD ARG A 44 -0.750 5.268 -5.107 1.00 0.00 C ATOM 390 NE ARG A 44 -0.013 5.795 -6.272 1.00 0.00 N ATOM 391 CZ ARG A 44 -0.233 6.931 -6.909 1.00 0.00 C ATOM 392 NH1 ARG A 44 -1.219 7.728 -6.609 1.00 0.00 N ATOM 393 NH2 ARG A 44 0.553 7.301 -7.880 1.00 0.00 N ATOM 0 H ARG A 44 3.549 4.450 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 44 0.765 5.537 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.885 4.485 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.652 2.971 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.235 3.206 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.806 3.563 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.798 5.133 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.718 5.999 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 44 0.751 5.218 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.860 7.484 -5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.350 8.596 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.341 6.713 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.380 8.179 -8.370 1.00 0.00 H new ATOM 407 N TYR A 45 -0.063 3.650 -1.170 1.00 0.00 N ATOM 408 CA TYR A 45 -0.472 2.850 -0.006 1.00 0.00 C ATOM 409 C TYR A 45 -1.808 2.133 -0.265 1.00 0.00 C ATOM 410 O TYR A 45 -2.733 2.738 -0.810 1.00 0.00 O ATOM 411 CB TYR A 45 -0.585 3.757 1.234 1.00 0.00 C ATOM 412 CG TYR A 45 0.614 4.648 1.523 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.723 4.139 2.226 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.614 5.993 1.103 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.825 4.970 2.514 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.713 6.828 1.386 1.00 0.00 C ATOM 417 CZ TYR A 45 2.817 6.321 2.104 1.00 0.00 C ATOM 418 OH TYR A 45 3.855 7.145 2.407 1.00 0.00 O ATOM 0 H TYR A 45 -0.847 4.085 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 45 0.287 2.088 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.463 4.391 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.762 3.126 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.729 3.108 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.233 6.386 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.675 4.573 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.711 7.856 1.054 1.00 0.00 H new ATOM 0 HH TYR A 45 3.680 8.039 2.045 1.00 0.00 H new ATOM 428 N TYR A 46 -1.924 0.863 0.141 1.00 0.00 N ATOM 429 CA TYR A 46 -3.117 0.024 -0.074 1.00 0.00 C ATOM 430 C TYR A 46 -3.413 -0.861 1.149 1.00 0.00 C ATOM 431 O TYR A 46 -2.509 -1.502 1.685 1.00 0.00 O ATOM 432 CB TYR A 46 -2.935 -0.842 -1.332 1.00 0.00 C ATOM 433 CG TYR A 46 -2.785 -0.071 -2.636 1.00 0.00 C ATOM 434 CD1 TYR A 46 -3.910 0.539 -3.226 1.00 0.00 C ATOM 435 CD2 TYR A 46 -1.529 0.023 -3.271 1.00 0.00 C ATOM 436 CE1 TYR A 46 -3.780 1.236 -4.442 1.00 0.00 C ATOM 437 CE2 TYR A 46 -1.397 0.715 -4.490 1.00 0.00 C ATOM 438 CZ TYR A 46 -2.525 1.320 -5.083 1.00 0.00 C ATOM 439 OH TYR A 46 -2.401 1.988 -6.264 1.00 0.00 O ATOM 0 H TYR A 46 -1.178 0.377 0.639 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.971 0.686 -0.217 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.054 -1.470 -1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.792 -1.510 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.874 0.472 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.663 -0.439 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.644 1.708 -4.886 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.432 0.783 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.349 2.951 -6.091 1.00 0.00 H new ATOM 449 N CYS A 47 -4.669 -0.878 1.617 1.00 0.00 N ATOM 450 CA CYS A 47 -5.108 -1.684 2.766 1.00 0.00 C ATOM 451 C CYS A 47 -5.297 -3.166 2.390 1.00 0.00 C ATOM 452 O CYS A 47 -6.027 -3.487 1.449 1.00 0.00 O ATOM 453 CB CYS A 47 -6.372 -1.086 3.410 1.00 0.00 C ATOM 454 SG CYS A 47 -6.742 -1.803 5.043 1.00 0.00 S ATOM 0 H CYS A 47 -5.419 -0.325 1.203 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.314 -1.653 3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.247 -0.008 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.222 -1.247 2.747 1.00 0.00 H new ATOM 459 N MET A 48 -4.644 -4.063 3.138 1.00 0.00 N ATOM 460 CA MET A 48 -4.592 -5.514 2.874 1.00 0.00 C ATOM 461 C MET A 48 -5.406 -6.359 3.875 1.00 0.00 C ATOM 462 O MET A 48 -5.458 -7.585 3.756 1.00 0.00 O ATOM 463 CB MET A 48 -3.120 -5.970 2.826 1.00 0.00 C ATOM 464 CG MET A 48 -2.309 -5.270 1.726 1.00 0.00 C ATOM 465 SD MET A 48 -2.920 -5.474 0.024 1.00 0.00 S ATOM 466 CE MET A 48 -2.367 -7.165 -0.326 1.00 0.00 C ATOM 0 H MET A 48 -4.119 -3.795 3.971 1.00 0.00 H new ATOM 0 HA MET A 48 -5.067 -5.683 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.654 -5.776 3.792 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.085 -7.048 2.666 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.274 -4.204 1.952 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.284 -5.639 1.769 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.944 -7.572 -1.156 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.310 -7.155 -0.590 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.514 -7.786 0.558 1.00 0.00 H new ATOM 476 N GLY A 49 -6.063 -5.719 4.848 1.00 0.00 N ATOM 477 CA GLY A 49 -6.938 -6.354 5.842 1.00 0.00 C ATOM 478 C GLY A 49 -7.223 -5.426 7.022 1.00 0.00 C ATOM 479 O GLY A 49 -8.276 -4.790 7.079 1.00 0.00 O ATOM 0 H GLY A 49 -5.998 -4.708 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.878 -6.640 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.472 -7.270 6.204 1.00 0.00 H new ATOM 483 N ASN A 50 -6.257 -5.313 7.942 1.00 0.00 N ATOM 484 CA ASN A 50 -6.313 -4.435 9.122 1.00 0.00 C ATOM 485 C ASN A 50 -5.255 -3.309 9.105 1.00 0.00 C ATOM 486 O ASN A 50 -5.206 -2.495 10.027 1.00 0.00 O ATOM 487 CB ASN A 50 -6.209 -5.301 10.394 1.00 0.00 C ATOM 488 CG ASN A 50 -7.376 -6.262 10.554 1.00 0.00 C ATOM 489 OD1 ASN A 50 -8.519 -5.868 10.737 1.00 0.00 O ATOM 490 ND2 ASN A 50 -7.139 -7.554 10.507 1.00 0.00 N ATOM 0 H ASN A 50 -5.388 -5.845 7.886 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.271 -3.915 9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.279 -5.869 10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.159 -4.650 11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.905 -8.218 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.189 -7.893 10.355 1.00 0.00 H new ATOM 497 N CYS A 51 -4.406 -3.250 8.074 1.00 0.00 N ATOM 498 CA CYS A 51 -3.296 -2.303 7.917 1.00 0.00 C ATOM 499 C CYS A 51 -3.062 -2.006 6.421 1.00 0.00 C ATOM 500 O CYS A 51 -3.411 -2.829 5.567 1.00 0.00 O ATOM 501 CB CYS A 51 -2.078 -2.949 8.601 1.00 0.00 C ATOM 502 SG CYS A 51 -0.564 -1.962 8.788 1.00 0.00 S ATOM 0 H CYS A 51 -4.478 -3.894 7.286 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.502 -1.338 8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.388 -3.271 9.595 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.821 -3.848 8.040 1.00 0.00 H new ATOM 507 N CYS A 52 -2.459 -0.856 6.090 1.00 0.00 N ATOM 508 CA CYS A 52 -2.106 -0.471 4.718 1.00 0.00 C ATOM 509 C CYS A 52 -0.598 -0.244 4.527 1.00 0.00 C ATOM 510 O CYS A 52 -0.038 0.765 4.966 1.00 0.00 O ATOM 511 CB CYS A 52 -2.972 0.696 4.212 1.00 0.00 C ATOM 512 SG CYS A 52 -3.009 2.259 5.117 1.00 0.00 S ATOM 0 H CYS A 52 -2.198 -0.154 6.783 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.342 -1.323 4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.651 0.919 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.998 0.334 4.150 1.00 0.00 H new ATOM 517 N LYS A 53 0.069 -1.221 3.892 1.00 0.00 N ATOM 518 CA LYS A 53 1.512 -1.183 3.596 1.00 0.00 C ATOM 519 C LYS A 53 1.834 -0.148 2.508 1.00 0.00 C ATOM 520 O LYS A 53 0.948 0.324 1.791 1.00 0.00 O ATOM 521 CB LYS A 53 2.005 -2.590 3.191 1.00 0.00 C ATOM 522 CG LYS A 53 3.443 -2.860 3.665 1.00 0.00 C ATOM 523 CD LYS A 53 4.069 -4.125 3.062 1.00 0.00 C ATOM 524 CE LYS A 53 3.296 -5.395 3.436 1.00 0.00 C ATOM 525 NZ LYS A 53 4.146 -6.605 3.271 1.00 0.00 N ATOM 0 H LYS A 53 -0.385 -2.073 3.564 1.00 0.00 H new ATOM 0 HA LYS A 53 2.040 -0.875 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.338 -3.342 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.956 -2.692 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.066 -2.002 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.447 -2.947 4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.101 -4.029 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.100 -4.216 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.953 -5.325 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.408 -5.482 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.600 -7.451 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.453 -6.681 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.981 -6.530 3.887 1.00 0.00 H new ATOM 539 N VAL A 54 3.118 0.176 2.368 1.00 0.00 N ATOM 540 CA VAL A 54 3.667 0.954 1.253 1.00 0.00 C ATOM 541 C VAL A 54 3.813 0.101 -0.015 1.00 0.00 C ATOM 542 O VAL A 54 4.235 -1.057 0.047 1.00 0.00 O ATOM 543 CB VAL A 54 5.001 1.601 1.672 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.180 0.635 1.845 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.409 2.674 0.671 1.00 0.00 C ATOM 0 H VAL A 54 3.828 -0.102 3.046 1.00 0.00 H new ATOM 0 HA VAL A 54 2.966 1.751 1.006 1.00 0.00 H new ATOM 0 HB VAL A 54 4.795 2.018 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.068 1.194 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.940 -0.098 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.371 0.122 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.353 3.121 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.527 2.225 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.639 3.444 0.629 1.00 0.00 H new ATOM 555 N TYR A 55 3.473 0.688 -1.161 1.00 0.00 N ATOM 556 CA TYR A 55 3.639 0.139 -2.510 1.00 0.00 C ATOM 557 C TYR A 55 4.128 1.236 -3.479 1.00 0.00 C ATOM 558 O TYR A 55 4.205 2.418 -3.130 1.00 0.00 O ATOM 559 CB TYR A 55 2.312 -0.496 -2.971 1.00 0.00 C ATOM 560 CG TYR A 55 1.818 -1.637 -2.088 1.00 0.00 C ATOM 561 CD1 TYR A 55 2.219 -2.961 -2.354 1.00 0.00 C ATOM 562 CD2 TYR A 55 0.988 -1.371 -0.979 1.00 0.00 C ATOM 563 CE1 TYR A 55 1.817 -4.010 -1.499 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.584 -2.415 -0.125 1.00 0.00 C ATOM 565 CZ TYR A 55 1.017 -3.733 -0.373 1.00 0.00 C ATOM 566 OH TYR A 55 0.702 -4.731 0.496 1.00 0.00 O ATOM 0 H TYR A 55 3.049 1.615 -1.176 1.00 0.00 H new ATOM 0 HA TYR A 55 4.400 -0.641 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.546 0.278 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.435 -0.868 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.836 -3.174 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.660 -0.361 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.123 -5.025 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.057 -2.206 0.719 1.00 0.00 H new ATOM 0 HH TYR A 55 0.589 -4.358 1.395 1.00 0.00 H new ATOM 576 N GLU A 56 4.479 0.855 -4.708 1.00 0.00 N ATOM 577 CA GLU A 56 5.096 1.728 -5.714 1.00 0.00 C ATOM 578 C GLU A 56 4.420 1.541 -7.083 1.00 0.00 C ATOM 579 O GLU A 56 4.335 0.424 -7.602 1.00 0.00 O ATOM 580 CB GLU A 56 6.615 1.479 -5.806 1.00 0.00 C ATOM 581 CG GLU A 56 7.381 1.672 -4.481 1.00 0.00 C ATOM 582 CD GLU A 56 7.354 0.472 -3.508 1.00 0.00 C ATOM 583 OE1 GLU A 56 6.942 -0.651 -3.885 1.00 0.00 O ATOM 584 OE2 GLU A 56 7.809 0.649 -2.353 1.00 0.00 O ATOM 0 H GLU A 56 4.339 -0.098 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 56 4.948 2.762 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.782 0.462 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.035 2.151 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.420 1.903 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.969 2.541 -3.968 1.00 0.00 H new ATOM 591 N GLY A 57 3.912 2.637 -7.657 1.00 0.00 N ATOM 592 CA GLY A 57 3.060 2.634 -8.854 1.00 0.00 C ATOM 593 C GLY A 57 1.577 2.384 -8.544 1.00 0.00 C ATOM 594 O GLY A 57 1.193 2.110 -7.404 1.00 0.00 O ATOM 0 H GLY A 57 4.085 3.574 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.161 3.591 -9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.415 1.866 -9.542 1.00 0.00 H new ATOM 598 N CYS A 58 0.723 2.505 -9.564 1.00 0.00 N ATOM 599 CA CYS A 58 -0.732 2.349 -9.452 1.00 0.00 C ATOM 600 C CYS A 58 -1.148 0.865 -9.508 1.00 0.00 C ATOM 601 O CYS A 58 -1.482 0.340 -10.575 1.00 0.00 O ATOM 602 CB CYS A 58 -1.416 3.181 -10.551 1.00 0.00 C ATOM 603 SG CYS A 58 -1.074 4.951 -10.310 1.00 0.00 S ATOM 0 H CYS A 58 1.030 2.719 -10.513 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.058 2.720 -8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.059 2.865 -11.531 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.492 3.006 -10.532 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.657 5.637 -11.248 1.00 0.00 H new ATOM 609 N TYR A 59 -1.132 0.174 -8.364 1.00 0.00 N ATOM 610 CA TYR A 59 -1.605 -1.208 -8.231 1.00 0.00 C ATOM 611 C TYR A 59 -3.146 -1.258 -8.272 1.00 0.00 C ATOM 612 O TYR A 59 -3.807 -1.055 -7.255 1.00 0.00 O ATOM 613 CB TYR A 59 -1.025 -1.861 -6.961 1.00 0.00 C ATOM 614 CG TYR A 59 -0.941 -3.380 -7.026 1.00 0.00 C ATOM 615 CD1 TYR A 59 -2.098 -4.164 -7.217 1.00 0.00 C ATOM 616 CD2 TYR A 59 0.315 -4.013 -6.915 1.00 0.00 C ATOM 617 CE1 TYR A 59 -1.998 -5.564 -7.334 1.00 0.00 C ATOM 618 CE2 TYR A 59 0.418 -5.415 -7.009 1.00 0.00 C ATOM 619 CZ TYR A 59 -0.738 -6.194 -7.232 1.00 0.00 C ATOM 620 OH TYR A 59 -0.645 -7.548 -7.353 1.00 0.00 O ATOM 0 H TYR A 59 -0.784 0.566 -7.489 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.245 -1.791 -9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.027 -1.460 -6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.640 -1.578 -6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.066 -3.688 -7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.203 -3.419 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.885 -6.156 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.381 -5.894 -6.910 1.00 0.00 H new ATOM 0 HH TYR A 59 0.291 -7.821 -7.259 1.00 0.00 H new ATOM 630 N THR A 60 -3.712 -1.485 -9.465 1.00 0.00 N ATOM 631 CA THR A 60 -5.152 -1.669 -9.799 1.00 0.00 C ATOM 632 C THR A 60 -6.145 -0.573 -9.353 1.00 0.00 C ATOM 633 O THR A 60 -7.335 -0.656 -9.669 1.00 0.00 O ATOM 634 CB THR A 60 -5.656 -3.083 -9.424 1.00 0.00 C ATOM 635 OG1 THR A 60 -5.588 -3.357 -8.039 1.00 0.00 O ATOM 636 CG2 THR A 60 -4.849 -4.174 -10.131 1.00 0.00 C ATOM 0 H THR A 60 -3.133 -1.553 -10.302 1.00 0.00 H new ATOM 0 HA THR A 60 -5.149 -1.553 -10.883 1.00 0.00 H new ATOM 0 HB THR A 60 -6.698 -3.091 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.921 -4.263 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.231 -5.153 -9.844 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.939 -4.052 -11.210 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.801 -4.095 -9.843 1.00 0.00 H new ATOM 644 N GLY A 61 -5.676 0.481 -8.679 1.00 0.00 N ATOM 645 CA GLY A 61 -6.451 1.603 -8.131 1.00 0.00 C ATOM 646 C GLY A 61 -6.879 1.392 -6.669 1.00 0.00 C ATOM 647 O GLY A 61 -7.039 0.258 -6.206 1.00 0.00 O ATOM 0 H GLY A 61 -4.679 0.582 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.856 2.514 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.340 1.755 -8.744 1.00 0.00 H new ATOM 651 N GLY A 62 -7.085 2.492 -5.935 1.00 0.00 N ATOM 652 CA GLY A 62 -7.472 2.482 -4.516 1.00 0.00 C ATOM 653 C GLY A 62 -7.327 3.847 -3.837 1.00 0.00 C ATOM 654 O GLY A 62 -8.286 4.621 -3.796 1.00 0.00 O ATOM 0 H GLY A 62 -6.986 3.433 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.507 2.150 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.859 1.753 -3.985 1.00 0.00 H new ATOM 658 N TYR A 63 -6.130 4.147 -3.322 1.00 0.00 N ATOM 659 CA TYR A 63 -5.814 5.364 -2.553 1.00 0.00 C ATOM 660 C TYR A 63 -4.517 6.043 -3.036 1.00 0.00 C ATOM 661 O TYR A 63 -3.683 5.411 -3.689 1.00 0.00 O ATOM 662 CB TYR A 63 -5.691 5.014 -1.055 1.00 0.00 C ATOM 663 CG TYR A 63 -6.773 4.108 -0.491 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.058 4.616 -0.217 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.491 2.749 -0.247 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.055 3.775 0.314 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.485 1.903 0.282 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.770 2.413 0.567 1.00 0.00 C ATOM 669 OH TYR A 63 -9.726 1.587 1.070 1.00 0.00 O ATOM 0 H TYR A 63 -5.324 3.531 -3.431 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.629 6.070 -2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.724 4.537 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.689 5.943 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.279 5.654 -0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.510 2.355 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.037 4.170 0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.264 0.863 0.470 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.355 0.686 1.180 1.00 0.00 H new ATOM 679 N SER A 64 -4.317 7.316 -2.669 1.00 0.00 N ATOM 680 CA SER A 64 -3.120 8.117 -3.012 1.00 0.00 C ATOM 681 C SER A 64 -2.408 8.769 -1.813 1.00 0.00 C ATOM 682 O SER A 64 -1.336 9.352 -1.983 1.00 0.00 O ATOM 683 CB SER A 64 -3.472 9.178 -4.063 1.00 0.00 C ATOM 684 OG SER A 64 -3.824 8.549 -5.287 1.00 0.00 O ATOM 0 H SER A 64 -4.995 7.835 -2.112 1.00 0.00 H new ATOM 0 HA SER A 64 -2.404 7.402 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.300 9.792 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.624 9.845 -4.218 1.00 0.00 H new ATOM 0 HG SER A 64 -4.049 9.232 -5.953 1.00 0.00 H new ATOM 690 N ARG A 65 -2.952 8.636 -0.594 1.00 0.00 N ATOM 691 CA ARG A 65 -2.339 9.045 0.685 1.00 0.00 C ATOM 692 C ARG A 65 -2.577 7.977 1.753 1.00 0.00 C ATOM 693 O ARG A 65 -3.632 7.342 1.770 1.00 0.00 O ATOM 694 CB ARG A 65 -2.927 10.401 1.143 1.00 0.00 C ATOM 695 CG ARG A 65 -2.284 11.626 0.470 1.00 0.00 C ATOM 696 CD ARG A 65 -0.876 11.901 1.022 1.00 0.00 C ATOM 697 NE ARG A 65 -0.230 13.040 0.341 1.00 0.00 N ATOM 698 CZ ARG A 65 0.908 13.623 0.678 1.00 0.00 C ATOM 699 NH1 ARG A 65 1.590 13.261 1.729 1.00 0.00 N ATOM 700 NH2 ARG A 65 1.392 14.593 -0.043 1.00 0.00 N ATOM 0 H ARG A 65 -3.875 8.221 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.264 9.157 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.998 10.408 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.809 10.490 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.228 11.463 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.914 12.501 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.939 12.105 2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.259 11.010 0.903 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.712 13.417 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.249 12.505 2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.464 13.734 1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.893 14.908 -0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.270 15.037 0.224 1.00 0.00 H new ATOM 714 N MET A 66 -1.631 7.822 2.680 1.00 0.00 N ATOM 715 CA MET A 66 -1.764 6.877 3.797 1.00 0.00 C ATOM 716 C MET A 66 -2.950 7.233 4.714 1.00 0.00 C ATOM 717 O MET A 66 -3.623 6.340 5.224 1.00 0.00 O ATOM 718 CB MET A 66 -0.435 6.766 4.564 1.00 0.00 C ATOM 719 CG MET A 66 -0.536 5.824 5.772 1.00 0.00 C ATOM 720 SD MET A 66 1.008 5.575 6.693 1.00 0.00 S ATOM 721 CE MET A 66 1.576 4.032 5.930 1.00 0.00 C ATOM 0 H MET A 66 -0.754 8.343 2.681 1.00 0.00 H new ATOM 0 HA MET A 66 -1.991 5.892 3.388 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.342 6.406 3.890 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.130 7.756 4.903 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.288 6.217 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.894 4.854 5.427 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.445 3.209 6.632 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.995 3.836 5.029 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.631 4.122 5.669 1.00 0.00 H new ATOM 731 N GLY A 67 -3.272 8.522 4.865 1.00 0.00 N ATOM 732 CA GLY A 67 -4.433 8.985 5.635 1.00 0.00 C ATOM 733 C GLY A 67 -5.775 8.441 5.133 1.00 0.00 C ATOM 734 O GLY A 67 -6.667 8.183 5.941 1.00 0.00 O ATOM 0 H GLY A 67 -2.729 9.281 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.303 8.695 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.462 10.074 5.608 1.00 0.00 H new ATOM 738 N GLU A 68 -5.928 8.236 3.821 1.00 0.00 N ATOM 739 CA GLU A 68 -7.112 7.613 3.209 1.00 0.00 C ATOM 740 C GLU A 68 -7.169 6.104 3.485 1.00 0.00 C ATOM 741 O GLU A 68 -8.200 5.602 3.940 1.00 0.00 O ATOM 742 CB GLU A 68 -7.131 7.853 1.690 1.00 0.00 C ATOM 743 CG GLU A 68 -7.441 9.298 1.282 1.00 0.00 C ATOM 744 CD GLU A 68 -8.931 9.639 1.489 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.763 9.293 0.615 1.00 0.00 O ATOM 746 OE2 GLU A 68 -9.279 10.256 2.523 1.00 0.00 O ATOM 0 H GLU A 68 -5.219 8.503 3.138 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.986 8.080 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.162 7.572 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.873 7.194 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.826 9.982 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.175 9.446 0.235 1.00 0.00 H new ATOM 753 N CYS A 69 -6.076 5.370 3.232 1.00 0.00 N ATOM 754 CA CYS A 69 -6.042 3.920 3.457 1.00 0.00 C ATOM 755 C CYS A 69 -6.174 3.553 4.942 1.00 0.00 C ATOM 756 O CYS A 69 -6.754 2.518 5.258 1.00 0.00 O ATOM 757 CB CYS A 69 -4.802 3.297 2.807 1.00 0.00 C ATOM 758 SG CYS A 69 -3.188 3.587 3.580 1.00 0.00 S ATOM 0 H CYS A 69 -5.204 5.758 2.871 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.918 3.492 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.958 2.219 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.748 3.658 1.780 1.00 0.00 H new ATOM 763 N ALA A 70 -5.703 4.414 5.850 1.00 0.00 N ATOM 764 CA ALA A 70 -5.881 4.281 7.290 1.00 0.00 C ATOM 765 C ALA A 70 -7.334 4.551 7.724 1.00 0.00 C ATOM 766 O ALA A 70 -7.956 3.664 8.305 1.00 0.00 O ATOM 767 CB ALA A 70 -4.886 5.219 7.985 1.00 0.00 C ATOM 0 H ALA A 70 -5.172 5.245 5.590 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.679 3.252 7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.002 5.136 9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.869 4.942 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.079 6.247 7.677 1.00 0.00 H new ATOM 773 N ARG A 71 -7.901 5.741 7.447 1.00 0.00 N ATOM 774 CA ARG A 71 -9.224 6.155 7.978 1.00 0.00 C ATOM 775 C ARG A 71 -10.392 5.249 7.559 1.00 0.00 C ATOM 776 O ARG A 71 -11.362 5.119 8.307 1.00 0.00 O ATOM 777 CB ARG A 71 -9.514 7.637 7.662 1.00 0.00 C ATOM 778 CG ARG A 71 -9.934 7.908 6.203 1.00 0.00 C ATOM 779 CD ARG A 71 -10.096 9.400 5.891 1.00 0.00 C ATOM 780 NE ARG A 71 -8.815 10.124 5.981 1.00 0.00 N ATOM 781 CZ ARG A 71 -8.592 11.395 5.695 1.00 0.00 C ATOM 782 NH1 ARG A 71 -9.517 12.168 5.200 1.00 0.00 N ATOM 783 NH2 ARG A 71 -7.423 11.925 5.917 1.00 0.00 N ATOM 0 H ARG A 71 -7.461 6.443 6.852 1.00 0.00 H new ATOM 0 HA ARG A 71 -9.150 6.036 9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.303 7.989 8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.624 8.224 7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.189 7.481 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.875 7.396 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.510 9.518 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.811 9.840 6.586 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.011 9.584 6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.450 11.797 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.308 13.144 4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.673 11.359 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.257 12.906 5.694 1.00 0.00 H new ATOM 797 N ASN A 72 -10.306 4.628 6.380 1.00 0.00 N ATOM 798 CA ASN A 72 -11.317 3.695 5.862 1.00 0.00 C ATOM 799 C ASN A 72 -11.173 2.259 6.414 1.00 0.00 C ATOM 800 O ASN A 72 -12.154 1.511 6.429 1.00 0.00 O ATOM 801 CB ASN A 72 -11.253 3.702 4.325 1.00 0.00 C ATOM 802 CG ASN A 72 -11.804 4.990 3.733 1.00 0.00 C ATOM 803 OD1 ASN A 72 -13.007 5.191 3.634 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.954 5.901 3.322 1.00 0.00 N ATOM 0 H ASN A 72 -9.519 4.760 5.745 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.293 4.039 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.219 3.570 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.817 2.855 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.296 6.774 2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.951 5.736 3.403 1.00 0.00 H new ATOM 811 N CYS A 73 -9.982 1.875 6.884 1.00 0.00 N ATOM 812 CA CYS A 73 -9.685 0.582 7.512 1.00 0.00 C ATOM 813 C CYS A 73 -9.727 0.659 9.061 1.00 0.00 C ATOM 814 O CYS A 73 -9.806 1.753 9.631 1.00 0.00 O ATOM 815 CB CYS A 73 -8.345 0.074 6.942 1.00 0.00 C ATOM 816 SG CYS A 73 -8.584 -1.093 5.563 1.00 0.00 S ATOM 0 H CYS A 73 -9.164 2.482 6.836 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.459 -0.146 7.269 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.752 0.922 6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.776 -0.413 7.734 1.00 0.00 H new ATOM 821 N PRO A 74 -9.705 -0.484 9.779 1.00 0.00 N ATOM 822 CA PRO A 74 -9.791 -0.510 11.246 1.00 0.00 C ATOM 823 C PRO A 74 -8.472 -0.169 11.974 1.00 0.00 C ATOM 824 O PRO A 74 -8.473 -0.034 13.201 1.00 0.00 O ATOM 825 CB PRO A 74 -10.266 -1.926 11.582 1.00 0.00 C ATOM 826 CG PRO A 74 -9.677 -2.768 10.455 1.00 0.00 C ATOM 827 CD PRO A 74 -9.777 -1.841 9.246 1.00 0.00 C ATOM 0 HA PRO A 74 -10.472 0.267 11.594 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.905 -2.251 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.354 -1.991 11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.645 -3.053 10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.238 -3.690 10.304 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.966 -2.028 8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.711 -2.000 8.707 1.00 0.00 H new ATOM 835 N GLY A 75 -7.356 -0.035 11.242 1.00 0.00 N ATOM 836 CA GLY A 75 -6.004 0.254 11.757 1.00 0.00 C ATOM 837 C GLY A 75 -5.745 1.740 12.017 1.00 0.00 C ATOM 838 O GLY A 75 -5.430 2.461 11.046 1.00 0.00 O ATOM 839 OXT GLY A 75 -5.827 2.167 13.190 1.00 0.00 O ATOM 0 H GLY A 75 -7.369 -0.129 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.853 -0.299 12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.267 -0.114 11.043 1.00 0.00 H new TER 843 GLY A 75