USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 445 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 1 GLU N :NH3+ 168:sc= -0.123 (180deg=-0.301) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00712) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.61! F(o=-3.2,f=-2.6!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0297 F(o=-0.98,f=-0.03) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= -2.75! (180deg=-5.26!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.297 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -3.03! (180deg=-3.03!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.0284 (180deg=-0.282) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.848 F(o=-4.5!,f=-0.85) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -2.76! (180deg=-4.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.316 8.397 -3.984 1.00 0.00 N ATOM 2 CA GLU A 1 -15.568 9.625 -4.387 1.00 0.00 C ATOM 3 C GLU A 1 -14.280 9.729 -3.564 1.00 0.00 C ATOM 4 O GLU A 1 -13.687 10.786 -3.467 1.00 0.00 O ATOM 5 CB GLU A 1 -16.417 10.873 -4.154 1.00 0.00 C ATOM 6 CG GLU A 1 -15.944 11.984 -5.094 1.00 0.00 C ATOM 7 CD GLU A 1 -16.407 11.675 -6.518 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.544 11.246 -6.637 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.600 11.883 -7.410 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.275 8.427 -4.385 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.818 7.555 -4.339 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.376 8.352 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.329 9.556 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -17.469 10.651 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.332 11.197 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.344 12.945 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -14.857 12.064 -5.062 1.00 0.00 H new ATOM 18 N ALA A 2 -13.875 8.631 -2.989 1.00 0.00 N ATOM 19 CA ALA A 2 -12.628 8.649 -2.169 1.00 0.00 C ATOM 20 C ALA A 2 -11.411 8.922 -3.060 1.00 0.00 C ATOM 21 O ALA A 2 -10.877 8.022 -3.678 1.00 0.00 O ATOM 22 CB ALA A 2 -12.461 7.295 -1.480 1.00 0.00 C ATOM 0 H ALA A 2 -14.347 7.729 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.702 9.440 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.551 7.302 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.320 7.106 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.393 6.510 -2.233 1.00 0.00 H new ATOM 28 N GLU A 3 -11.003 10.160 -3.109 1.00 0.00 N ATOM 29 CA GLU A 3 -9.822 10.511 -3.953 1.00 0.00 C ATOM 30 C GLU A 3 -8.547 10.520 -3.104 1.00 0.00 C ATOM 31 O GLU A 3 -8.125 9.498 -2.600 1.00 0.00 O ATOM 32 CB GLU A 3 -10.040 11.893 -4.565 1.00 0.00 C ATOM 33 CG GLU A 3 -11.343 11.884 -5.367 1.00 0.00 C ATOM 34 CD GLU A 3 -11.258 12.931 -6.481 1.00 0.00 C ATOM 35 OE1 GLU A 3 -10.435 12.722 -7.357 1.00 0.00 O ATOM 36 OE2 GLU A 3 -12.024 13.878 -6.394 1.00 0.00 O ATOM 0 H GLU A 3 -11.430 10.938 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.711 9.768 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.086 12.649 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.202 12.155 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.514 10.896 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.188 12.100 -4.713 1.00 0.00 H new ATOM 43 N LYS A 4 -7.962 11.677 -2.966 1.00 0.00 N ATOM 44 CA LYS A 4 -6.712 11.775 -2.154 1.00 0.00 C ATOM 45 C LYS A 4 -7.027 11.550 -0.672 1.00 0.00 C ATOM 46 O LYS A 4 -7.938 12.143 -0.131 1.00 0.00 O ATOM 47 CB LYS A 4 -6.103 13.162 -2.340 1.00 0.00 C ATOM 48 CG LYS A 4 -4.602 13.095 -2.047 1.00 0.00 C ATOM 49 CD LYS A 4 -4.074 14.510 -1.800 1.00 0.00 C ATOM 50 CE LYS A 4 -2.700 14.654 -2.458 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.844 14.845 -3.929 1.00 0.00 N ATOM 0 H LYS A 4 -8.289 12.552 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.007 11.012 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.272 13.513 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.585 13.876 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.417 12.468 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.076 12.639 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.766 15.246 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.000 14.702 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.170 15.502 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.099 13.767 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.948 14.606 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.599 14.226 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.086 15.837 -4.128 1.00 0.00 H new ATOM 65 N CYS A 5 -6.264 10.695 -0.047 1.00 0.00 N ATOM 66 CA CYS A 5 -6.503 10.420 1.400 1.00 0.00 C ATOM 67 C CYS A 5 -5.615 11.317 2.263 1.00 0.00 C ATOM 68 O CYS A 5 -5.073 12.298 1.791 1.00 0.00 O ATOM 69 CB CYS A 5 -6.183 8.956 1.693 1.00 0.00 C ATOM 70 SG CYS A 5 -7.082 7.702 0.744 1.00 0.00 S ATOM 0 H CYS A 5 -5.492 10.179 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.547 10.626 1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.117 8.804 1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.369 8.775 2.752 1.00 0.00 H new ATOM 75 N THR A 6 -5.485 10.960 3.507 1.00 0.00 N ATOM 76 CA THR A 6 -4.641 11.779 4.422 1.00 0.00 C ATOM 77 C THR A 6 -3.169 11.724 3.995 1.00 0.00 C ATOM 78 O THR A 6 -2.725 12.517 3.188 1.00 0.00 O ATOM 79 CB THR A 6 -4.779 11.230 5.845 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.030 9.839 5.673 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.021 11.781 6.539 1.00 0.00 C ATOM 0 H THR A 6 -5.923 10.142 3.930 1.00 0.00 H new ATOM 0 HA THR A 6 -4.974 12.816 4.382 1.00 0.00 H new ATOM 0 HB THR A 6 -3.895 11.483 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.129 9.414 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.087 11.370 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.955 12.868 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.909 11.499 5.973 1.00 0.00 H new ATOM 89 N LYS A 7 -2.446 10.788 4.548 1.00 0.00 N ATOM 90 CA LYS A 7 -1.000 10.668 4.196 1.00 0.00 C ATOM 91 C LYS A 7 -0.844 10.298 2.694 1.00 0.00 C ATOM 92 O LYS A 7 -1.695 9.630 2.141 1.00 0.00 O ATOM 93 CB LYS A 7 -0.387 9.564 5.062 1.00 0.00 C ATOM 94 CG LYS A 7 -0.603 9.911 6.536 1.00 0.00 C ATOM 95 CD LYS A 7 0.756 10.024 7.229 1.00 0.00 C ATOM 96 CE LYS A 7 0.540 10.286 8.720 1.00 0.00 C ATOM 97 NZ LYS A 7 1.797 10.035 9.480 1.00 0.00 N ATOM 0 H LYS A 7 -2.790 10.105 5.223 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.495 11.617 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.847 8.604 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.678 9.467 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.149 10.850 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.208 9.143 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.327 9.106 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.337 10.833 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.216 11.316 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.255 9.643 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.634 10.217 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.090 9.046 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.546 10.667 9.131 1.00 0.00 H new ATOM 111 N PRO A 8 0.245 10.743 2.054 1.00 0.00 N ATOM 112 CA PRO A 8 0.474 10.425 0.634 1.00 0.00 C ATOM 113 C PRO A 8 0.507 8.906 0.422 1.00 0.00 C ATOM 114 O PRO A 8 0.403 8.150 1.363 1.00 0.00 O ATOM 115 CB PRO A 8 1.836 11.044 0.293 1.00 0.00 C ATOM 116 CG PRO A 8 2.390 11.695 1.595 1.00 0.00 C ATOM 117 CD PRO A 8 1.300 11.569 2.674 1.00 0.00 C ATOM 0 HA PRO A 8 -0.320 10.816 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.522 10.282 -0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.732 11.790 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.305 11.196 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.641 12.742 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.690 11.099 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.916 12.547 2.964 1.00 0.00 H new ATOM 125 N ASN A 9 0.659 8.498 -0.812 1.00 0.00 N ATOM 126 CA ASN A 9 0.691 7.030 -1.111 1.00 0.00 C ATOM 127 C ASN A 9 -0.637 6.385 -0.704 1.00 0.00 C ATOM 128 O ASN A 9 -1.435 6.038 -1.551 1.00 0.00 O ATOM 129 CB ASN A 9 1.845 6.376 -0.349 1.00 0.00 C ATOM 130 CG ASN A 9 3.076 7.281 -0.412 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.311 8.100 0.576 1.00 0.00 O flip ATOM 132 ND2 ASN A 9 3.838 7.251 -1.361 1.00 0.00 N flip ATOM 0 H ASN A 9 0.762 9.110 -1.621 1.00 0.00 H new ATOM 0 HA ASN A 9 0.840 6.885 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.559 6.205 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.074 5.402 -0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.661 6.613 -2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.653 7.863 -1.380 1.00 0.00 H new ATOM 139 N GLU A 10 -0.838 6.223 0.582 1.00 0.00 N ATOM 140 CA GLU A 10 -2.121 5.623 1.052 1.00 0.00 C ATOM 141 C GLU A 10 -3.283 6.207 0.246 1.00 0.00 C ATOM 142 O GLU A 10 -3.647 7.352 0.422 1.00 0.00 O ATOM 143 CB GLU A 10 -2.313 5.944 2.534 1.00 0.00 C ATOM 144 CG GLU A 10 -1.177 5.305 3.337 1.00 0.00 C ATOM 145 CD GLU A 10 -1.407 5.560 4.829 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.561 5.487 5.219 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.417 5.812 5.493 1.00 0.00 O ATOM 0 H GLU A 10 -0.177 6.477 1.316 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.093 4.542 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.321 7.023 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.276 5.566 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.136 4.233 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.218 5.722 3.028 1.00 0.00 H new ATOM 154 N GLN A 11 -3.831 5.404 -0.622 1.00 0.00 N ATOM 155 CA GLN A 11 -4.957 5.883 -1.472 1.00 0.00 C ATOM 156 C GLN A 11 -6.080 4.852 -1.476 1.00 0.00 C ATOM 157 O GLN A 11 -5.906 3.738 -1.026 1.00 0.00 O ATOM 158 CB GLN A 11 -4.450 6.086 -2.898 1.00 0.00 C ATOM 159 CG GLN A 11 -5.176 7.278 -3.521 1.00 0.00 C ATOM 160 CD GLN A 11 -4.754 7.419 -4.986 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.561 6.341 -5.696 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 -4.596 8.510 -5.495 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.548 4.437 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.339 6.823 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.374 6.261 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.624 5.188 -3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.255 7.137 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.939 8.190 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.745 9.356 -4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.314 8.581 -6.473 1.00 0.00 H new ATOM 171 N TRP A 12 -7.206 5.240 -1.990 1.00 0.00 N ATOM 172 CA TRP A 12 -8.351 4.295 -2.020 1.00 0.00 C ATOM 173 C TRP A 12 -7.942 2.960 -2.619 1.00 0.00 C ATOM 174 O TRP A 12 -7.236 2.908 -3.607 1.00 0.00 O ATOM 175 CB TRP A 12 -9.465 4.867 -2.870 1.00 0.00 C ATOM 176 CG TRP A 12 -10.571 3.818 -2.971 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.763 3.013 -4.015 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.465 3.594 -2.039 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.839 2.289 -3.659 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.346 2.600 -2.418 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.585 4.193 -0.803 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.354 2.216 -1.563 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.590 3.806 0.053 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.478 2.818 -0.326 1.00 0.00 C ATOM 0 H TRP A 12 -7.385 6.162 -2.388 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.685 4.146 -0.993 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.850 5.785 -2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.093 5.125 -3.862 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.191 2.956 -4.929 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.245 1.570 -4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.891 4.965 -0.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.048 1.444 -1.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.685 4.275 1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.269 2.516 0.345 1.00 0.00 H new ATOM 195 N THR A 13 -8.394 1.905 -2.006 1.00 0.00 N ATOM 196 CA THR A 13 -8.079 0.561 -2.550 1.00 0.00 C ATOM 197 C THR A 13 -9.285 -0.363 -2.358 1.00 0.00 C ATOM 198 O THR A 13 -9.779 -0.525 -1.260 1.00 0.00 O ATOM 199 CB THR A 13 -6.854 -0.021 -1.836 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.960 -1.429 -2.026 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.926 0.186 -0.326 1.00 0.00 C ATOM 0 H THR A 13 -8.963 1.915 -1.159 1.00 0.00 H new ATOM 0 HA THR A 13 -7.856 0.647 -3.614 1.00 0.00 H new ATOM 0 HB THR A 13 -5.947 0.445 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.202 -1.875 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.039 -0.241 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.974 1.253 -0.107 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.816 -0.306 0.067 1.00 0.00 H new ATOM 209 N LYS A 14 -9.741 -0.942 -3.427 1.00 0.00 N ATOM 210 CA LYS A 14 -10.914 -1.848 -3.311 1.00 0.00 C ATOM 211 C LYS A 14 -10.510 -3.144 -2.595 1.00 0.00 C ATOM 212 O LYS A 14 -11.351 -3.923 -2.192 1.00 0.00 O ATOM 213 CB LYS A 14 -11.441 -2.164 -4.704 1.00 0.00 C ATOM 214 CG LYS A 14 -12.684 -1.311 -4.973 1.00 0.00 C ATOM 215 CD LYS A 14 -12.988 -1.329 -6.469 1.00 0.00 C ATOM 216 CE LYS A 14 -13.173 -2.777 -6.927 1.00 0.00 C ATOM 217 NZ LYS A 14 -11.852 -3.425 -7.162 1.00 0.00 N ATOM 0 H LYS A 14 -9.359 -0.831 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.695 -1.359 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.675 -1.959 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.687 -3.223 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.534 -1.698 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.518 -0.288 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.889 -0.751 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.175 -0.861 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.729 -3.335 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.764 -2.802 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.879 -3.953 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.112 -2.696 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.642 -4.079 -6.381 1.00 0.00 H new ATOM 231 N CYS A 15 -9.226 -3.345 -2.456 1.00 0.00 N ATOM 232 CA CYS A 15 -8.743 -4.572 -1.761 1.00 0.00 C ATOM 233 C CYS A 15 -7.478 -4.261 -0.954 1.00 0.00 C ATOM 234 O CYS A 15 -6.387 -4.246 -1.488 1.00 0.00 O ATOM 235 CB CYS A 15 -8.424 -5.643 -2.797 1.00 0.00 C ATOM 236 SG CYS A 15 -7.095 -6.807 -2.399 1.00 0.00 S ATOM 0 H CYS A 15 -8.496 -2.717 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.520 -4.926 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.332 -6.217 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.168 -5.144 -3.731 1.00 0.00 H new ATOM 241 N GLY A 16 -7.651 -4.021 0.316 1.00 0.00 N ATOM 242 CA GLY A 16 -6.469 -3.715 1.170 1.00 0.00 C ATOM 243 C GLY A 16 -5.907 -5.003 1.775 1.00 0.00 C ATOM 244 O GLY A 16 -5.975 -6.056 1.171 1.00 0.00 O ATOM 0 H GLY A 16 -8.551 -4.023 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.701 -3.218 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.754 -3.025 1.965 1.00 0.00 H new ATOM 248 N GLY A 17 -5.365 -4.892 2.959 1.00 0.00 N ATOM 249 CA GLY A 17 -4.804 -6.101 3.627 1.00 0.00 C ATOM 250 C GLY A 17 -3.291 -6.176 3.432 1.00 0.00 C ATOM 251 O GLY A 17 -2.550 -5.385 3.980 1.00 0.00 O ATOM 0 H GLY A 17 -5.287 -4.024 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.037 -6.075 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.272 -6.997 3.220 1.00 0.00 H new ATOM 255 N CYS A 18 -2.864 -7.130 2.651 1.00 0.00 N ATOM 256 CA CYS A 18 -1.401 -7.282 2.410 1.00 0.00 C ATOM 257 C CYS A 18 -0.944 -6.361 1.273 1.00 0.00 C ATOM 258 O CYS A 18 -1.753 -5.807 0.555 1.00 0.00 O ATOM 259 CB CYS A 18 -1.114 -8.735 2.040 1.00 0.00 C ATOM 260 SG CYS A 18 -1.258 -9.969 3.357 1.00 0.00 S ATOM 0 H CYS A 18 -3.459 -7.806 2.173 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.857 -7.008 3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.793 -9.019 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.102 -8.787 1.637 1.00 0.00 H new ATOM 265 N GLU A 19 0.349 -6.216 1.136 1.00 0.00 N ATOM 266 CA GLU A 19 0.880 -5.336 0.053 1.00 0.00 C ATOM 267 C GLU A 19 2.214 -5.879 -0.466 1.00 0.00 C ATOM 268 O GLU A 19 2.408 -7.074 -0.544 1.00 0.00 O ATOM 269 CB GLU A 19 1.083 -3.927 0.604 1.00 0.00 C ATOM 270 CG GLU A 19 0.988 -2.921 -0.546 1.00 0.00 C ATOM 271 CD GLU A 19 1.883 -1.720 -0.244 1.00 0.00 C ATOM 272 OE1 GLU A 19 1.822 -1.274 0.889 1.00 0.00 O ATOM 273 OE2 GLU A 19 2.576 -1.316 -1.162 1.00 0.00 O ATOM 0 H GLU A 19 1.054 -6.664 1.721 1.00 0.00 H new ATOM 0 HA GLU A 19 0.166 -5.313 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.329 -3.707 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.055 -3.850 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.294 -3.391 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.044 -2.596 -0.675 1.00 0.00 H new ATOM 280 N GLY A 20 3.105 -4.981 -0.814 1.00 0.00 N ATOM 281 CA GLY A 20 4.436 -5.421 -1.335 1.00 0.00 C ATOM 282 C GLY A 20 5.567 -4.689 -0.614 1.00 0.00 C ATOM 283 O GLY A 20 5.345 -4.002 0.363 1.00 0.00 O ATOM 0 H GLY A 20 2.969 -3.972 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.548 -6.497 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.495 -5.227 -2.406 1.00 0.00 H new ATOM 287 N THR A 21 6.760 -4.852 -1.115 1.00 0.00 N ATOM 288 CA THR A 21 7.923 -4.174 -0.476 1.00 0.00 C ATOM 289 C THR A 21 8.940 -3.762 -1.540 1.00 0.00 C ATOM 290 O THR A 21 8.689 -3.889 -2.723 1.00 0.00 O ATOM 291 CB THR A 21 8.582 -5.132 0.519 1.00 0.00 C ATOM 292 OG1 THR A 21 9.131 -6.171 -0.288 1.00 0.00 O ATOM 293 CG2 THR A 21 7.547 -5.815 1.408 1.00 0.00 C ATOM 0 H THR A 21 6.979 -5.421 -1.933 1.00 0.00 H new ATOM 0 HA THR A 21 7.576 -3.282 0.046 1.00 0.00 H new ATOM 0 HB THR A 21 9.294 -4.591 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.576 -6.830 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.051 -6.488 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.995 -5.061 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.854 -6.385 0.788 1.00 0.00 H new ATOM 301 N CYS A 22 10.070 -3.283 -1.101 1.00 0.00 N ATOM 302 CA CYS A 22 11.104 -2.857 -2.081 1.00 0.00 C ATOM 303 C CYS A 22 11.794 -4.085 -2.672 1.00 0.00 C ATOM 304 O CYS A 22 12.770 -3.971 -3.387 1.00 0.00 O ATOM 305 CB CYS A 22 12.135 -1.977 -1.377 1.00 0.00 C ATOM 306 SG CYS A 22 13.232 -0.993 -2.420 1.00 0.00 S ATOM 0 H CYS A 22 10.320 -3.169 -0.119 1.00 0.00 H new ATOM 0 HA CYS A 22 10.631 -2.293 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.601 -1.297 -0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.753 -2.618 -0.748 1.00 0.00 H new ATOM 311 N ALA A 23 11.265 -5.236 -2.358 1.00 0.00 N ATOM 312 CA ALA A 23 11.868 -6.495 -2.885 1.00 0.00 C ATOM 313 C ALA A 23 10.771 -7.489 -3.293 1.00 0.00 C ATOM 314 O ALA A 23 11.054 -8.520 -3.871 1.00 0.00 O ATOM 315 CB ALA A 23 12.736 -7.116 -1.794 1.00 0.00 C ATOM 0 H ALA A 23 10.446 -5.360 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 23 12.470 -6.264 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.183 -8.038 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.524 -6.417 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.121 -7.337 -0.922 1.00 0.00 H new ATOM 321 N GLN A 24 9.540 -7.157 -2.995 1.00 0.00 N ATOM 322 CA GLN A 24 8.423 -8.080 -3.354 1.00 0.00 C ATOM 323 C GLN A 24 7.150 -7.284 -3.653 1.00 0.00 C ATOM 324 O GLN A 24 6.339 -7.056 -2.778 1.00 0.00 O ATOM 325 CB GLN A 24 8.162 -9.031 -2.187 1.00 0.00 C ATOM 326 CG GLN A 24 8.928 -10.337 -2.417 1.00 0.00 C ATOM 327 CD GLN A 24 8.732 -11.257 -1.211 1.00 0.00 C ATOM 328 OE1 GLN A 24 7.743 -11.025 -0.390 1.00 0.00 O flip ATOM 329 NE2 GLN A 24 9.476 -12.195 -1.004 1.00 0.00 N flip ATOM 0 H GLN A 24 9.263 -6.296 -2.524 1.00 0.00 H new ATOM 0 HA GLN A 24 8.702 -8.646 -4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.478 -8.571 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.094 -9.233 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.572 -10.826 -3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.988 -10.130 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.250 -12.382 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.326 -12.795 -0.193 1.00 0.00 H new ATOM 338 N LYS A 25 7.005 -6.878 -4.883 1.00 0.00 N ATOM 339 CA LYS A 25 5.789 -6.099 -5.262 1.00 0.00 C ATOM 340 C LYS A 25 4.539 -6.750 -4.657 1.00 0.00 C ATOM 341 O LYS A 25 3.576 -6.076 -4.347 1.00 0.00 O ATOM 342 CB LYS A 25 5.665 -6.083 -6.783 1.00 0.00 C ATOM 343 CG LYS A 25 4.592 -5.062 -7.193 1.00 0.00 C ATOM 344 CD LYS A 25 5.256 -3.747 -7.617 1.00 0.00 C ATOM 345 CE LYS A 25 5.637 -3.824 -9.098 1.00 0.00 C ATOM 346 NZ LYS A 25 6.046 -5.210 -9.467 1.00 0.00 N ATOM 0 H LYS A 25 7.669 -7.049 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 25 5.878 -5.081 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.622 -5.823 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.399 -7.075 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.995 -5.459 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.911 -4.884 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.576 -2.912 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.143 -3.563 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.792 -3.513 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.453 -3.132 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.300 -5.240 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.866 -5.494 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.257 -5.864 -9.289 1.00 0.00 H new ATOM 360 N ILE A 26 4.577 -8.053 -4.523 1.00 0.00 N ATOM 361 CA ILE A 26 3.404 -8.776 -3.936 1.00 0.00 C ATOM 362 C ILE A 26 3.890 -9.741 -2.846 1.00 0.00 C ATOM 363 O ILE A 26 4.681 -10.626 -3.105 1.00 0.00 O ATOM 364 CB ILE A 26 2.697 -9.583 -5.041 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.316 -8.660 -6.229 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.439 -10.257 -4.466 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.053 -7.833 -5.913 1.00 0.00 C ATOM 0 H ILE A 26 5.363 -8.645 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 26 2.712 -8.052 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 26 3.378 -10.351 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.146 -7.990 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.145 -9.263 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.941 -10.827 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.724 -10.927 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.760 -9.495 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.812 -7.197 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.218 -8.505 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.235 -7.212 -5.036 1.00 0.00 H new ATOM 379 N VAL A 27 3.407 -9.549 -1.650 1.00 0.00 N ATOM 380 CA VAL A 27 3.833 -10.446 -0.536 1.00 0.00 C ATOM 381 C VAL A 27 2.838 -11.643 -0.417 1.00 0.00 C ATOM 382 O VAL A 27 1.640 -11.439 -0.457 1.00 0.00 O ATOM 383 CB VAL A 27 3.819 -9.634 0.764 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.378 -9.261 1.110 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.403 -10.471 1.904 1.00 0.00 C ATOM 0 H VAL A 27 2.743 -8.818 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 27 4.833 -10.836 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 27 4.417 -8.732 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.364 -8.683 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.953 -8.665 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.789 -10.169 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.391 -9.889 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.805 -11.373 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.429 -10.748 1.663 1.00 0.00 H new ATOM 395 N PRO A 28 3.340 -12.879 -0.278 1.00 0.00 N ATOM 396 CA PRO A 28 2.447 -14.042 -0.158 1.00 0.00 C ATOM 397 C PRO A 28 1.477 -13.864 1.017 1.00 0.00 C ATOM 398 O PRO A 28 1.849 -13.376 2.066 1.00 0.00 O ATOM 399 CB PRO A 28 3.368 -15.244 0.086 1.00 0.00 C ATOM 400 CG PRO A 28 4.835 -14.720 0.057 1.00 0.00 C ATOM 401 CD PRO A 28 4.781 -13.208 -0.227 1.00 0.00 C ATOM 0 HA PRO A 28 1.837 -14.172 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.146 -15.709 1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.217 -16.005 -0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.330 -14.914 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.411 -15.234 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.288 -12.641 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.275 -12.965 -1.168 1.00 0.00 H new ATOM 409 N CYS A 29 0.249 -14.262 0.812 1.00 0.00 N ATOM 410 CA CYS A 29 -0.758 -14.121 1.905 1.00 0.00 C ATOM 411 C CYS A 29 -1.970 -15.015 1.625 1.00 0.00 C ATOM 412 O CYS A 29 -2.557 -14.954 0.563 1.00 0.00 O ATOM 413 CB CYS A 29 -1.207 -12.663 1.986 1.00 0.00 C ATOM 414 SG CYS A 29 -0.069 -11.485 2.751 1.00 0.00 S ATOM 0 H CYS A 29 -0.098 -14.674 -0.054 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.308 -14.424 2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.418 -12.319 0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.147 -12.630 2.537 1.00 0.00 H new ATOM 419 N THR A 30 -2.319 -15.824 2.587 1.00 0.00 N ATOM 420 CA THR A 30 -3.492 -16.727 2.394 1.00 0.00 C ATOM 421 C THR A 30 -4.796 -15.955 2.619 1.00 0.00 C ATOM 422 O THR A 30 -5.869 -16.449 2.333 1.00 0.00 O ATOM 423 CB THR A 30 -3.402 -17.884 3.392 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.723 -17.302 4.652 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.971 -18.392 3.535 1.00 0.00 C ATOM 0 H THR A 30 -1.850 -15.900 3.489 1.00 0.00 H new ATOM 0 HA THR A 30 -3.485 -17.114 1.375 1.00 0.00 H new ATOM 0 HB THR A 30 -4.046 -18.703 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.687 -17.990 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.946 -19.213 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.611 -18.743 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.331 -17.583 3.888 1.00 0.00 H new ATOM 433 N ARG A 31 -4.675 -14.759 3.128 1.00 0.00 N ATOM 434 CA ARG A 31 -5.899 -13.941 3.375 1.00 0.00 C ATOM 435 C ARG A 31 -6.649 -13.710 2.058 1.00 0.00 C ATOM 436 O ARG A 31 -6.553 -14.504 1.143 1.00 0.00 O ATOM 437 CB ARG A 31 -5.489 -12.598 3.977 1.00 0.00 C ATOM 438 CG ARG A 31 -4.659 -12.849 5.239 1.00 0.00 C ATOM 439 CD ARG A 31 -4.277 -11.505 5.865 1.00 0.00 C ATOM 440 NE ARG A 31 -3.926 -11.722 7.297 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.725 -11.424 7.716 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.257 -10.229 7.486 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.036 -12.333 8.350 1.00 0.00 N ATOM 0 H ARG A 31 -3.792 -14.316 3.382 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.556 -14.469 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.910 -12.023 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.373 -12.008 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.229 -13.447 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.762 -13.417 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.433 -11.067 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.106 -10.802 5.782 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.618 -12.100 7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.826 -9.546 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.321 -9.977 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.437 -13.257 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.097 -12.119 8.685 1.00 0.00 H new ATOM 457 N GLU A 32 -7.383 -12.627 1.996 1.00 0.00 N ATOM 458 CA GLU A 32 -8.146 -12.323 0.748 1.00 0.00 C ATOM 459 C GLU A 32 -7.961 -10.852 0.364 1.00 0.00 C ATOM 460 O GLU A 32 -7.158 -10.527 -0.485 1.00 0.00 O ATOM 461 CB GLU A 32 -9.632 -12.602 0.989 1.00 0.00 C ATOM 462 CG GLU A 32 -9.821 -14.083 1.325 1.00 0.00 C ATOM 463 CD GLU A 32 -10.949 -14.658 0.464 1.00 0.00 C ATOM 464 OE1 GLU A 32 -12.049 -14.148 0.603 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.646 -15.573 -0.284 1.00 0.00 O ATOM 0 H GLU A 32 -7.486 -11.946 2.748 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.776 -12.951 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.002 -11.982 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.211 -12.342 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.895 -14.630 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.059 -14.200 2.382 1.00 0.00 H new ATOM 472 N CYS A 33 -8.706 -9.998 1.008 1.00 0.00 N ATOM 473 CA CYS A 33 -8.597 -8.540 0.698 1.00 0.00 C ATOM 474 C CYS A 33 -9.418 -7.727 1.705 1.00 0.00 C ATOM 475 O CYS A 33 -10.633 -7.728 1.655 1.00 0.00 O ATOM 476 CB CYS A 33 -9.141 -8.281 -0.712 1.00 0.00 C ATOM 477 SG CYS A 33 -8.033 -8.575 -2.115 1.00 0.00 S ATOM 0 H CYS A 33 -9.382 -10.241 1.732 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.551 -8.240 0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.026 -8.903 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.471 -7.243 -0.758 1.00 0.00 H new ATOM 482 N LYS A 34 -8.746 -7.050 2.600 1.00 0.00 N ATOM 483 CA LYS A 34 -9.494 -6.233 3.602 1.00 0.00 C ATOM 484 C LYS A 34 -10.579 -5.412 2.871 1.00 0.00 C ATOM 485 O LYS A 34 -10.466 -5.170 1.685 1.00 0.00 O ATOM 486 CB LYS A 34 -8.515 -5.290 4.303 1.00 0.00 C ATOM 487 CG LYS A 34 -8.121 -5.888 5.659 1.00 0.00 C ATOM 488 CD LYS A 34 -7.109 -4.962 6.341 1.00 0.00 C ATOM 489 CE LYS A 34 -7.759 -4.324 7.569 1.00 0.00 C ATOM 490 NZ LYS A 34 -8.016 -5.353 8.616 1.00 0.00 N ATOM 0 H LYS A 34 -7.729 -7.026 2.681 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.966 -6.881 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.629 -5.143 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.972 -4.311 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.003 -6.008 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.690 -6.880 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.223 -5.525 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.779 -4.189 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.110 -3.545 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.695 -3.844 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.030 -4.900 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.934 -5.808 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.263 -6.070 8.590 1.00 0.00 H new ATOM 504 N PRO A 35 -11.614 -4.993 3.585 1.00 0.00 N ATOM 505 CA PRO A 35 -12.688 -4.212 2.962 1.00 0.00 C ATOM 506 C PRO A 35 -12.118 -2.934 2.293 1.00 0.00 C ATOM 507 O PRO A 35 -11.028 -2.505 2.615 1.00 0.00 O ATOM 508 CB PRO A 35 -13.637 -3.841 4.109 1.00 0.00 C ATOM 509 CG PRO A 35 -13.046 -4.453 5.416 1.00 0.00 C ATOM 510 CD PRO A 35 -11.788 -5.246 5.026 1.00 0.00 C ATOM 0 HA PRO A 35 -13.196 -4.775 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.727 -2.758 4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.638 -4.230 3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.798 -3.667 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.775 -5.104 5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.919 -4.913 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.913 -6.310 5.228 1.00 0.00 H new ATOM 518 N PRO A 36 -12.876 -2.353 1.372 1.00 0.00 N ATOM 519 CA PRO A 36 -12.445 -1.128 0.678 1.00 0.00 C ATOM 520 C PRO A 36 -12.149 -0.002 1.677 1.00 0.00 C ATOM 521 O PRO A 36 -12.931 0.256 2.568 1.00 0.00 O ATOM 522 CB PRO A 36 -13.632 -0.733 -0.206 1.00 0.00 C ATOM 523 CG PRO A 36 -14.738 -1.810 -0.020 1.00 0.00 C ATOM 524 CD PRO A 36 -14.195 -2.865 0.957 1.00 0.00 C ATOM 0 HA PRO A 36 -11.531 -1.295 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.006 0.252 0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.328 -0.674 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.650 -1.359 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.992 -2.268 -0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.858 -2.989 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.108 -3.840 0.477 1.00 0.00 H new ATOM 532 N ARG A 37 -11.029 0.649 1.493 1.00 0.00 N ATOM 533 CA ARG A 37 -10.657 1.766 2.420 1.00 0.00 C ATOM 534 C ARG A 37 -9.331 2.398 1.978 1.00 0.00 C ATOM 535 O ARG A 37 -8.602 1.828 1.194 1.00 0.00 O ATOM 536 CB ARG A 37 -10.507 1.208 3.842 1.00 0.00 C ATOM 537 CG ARG A 37 -9.866 2.271 4.741 1.00 0.00 C ATOM 538 CD ARG A 37 -10.072 1.882 6.208 1.00 0.00 C ATOM 539 NE ARG A 37 -9.566 2.982 7.075 1.00 0.00 N ATOM 540 CZ ARG A 37 -10.395 3.603 7.869 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.091 4.601 7.398 1.00 0.00 N ATOM 542 NH2 ARG A 37 -10.500 3.205 9.107 1.00 0.00 N ATOM 0 H ARG A 37 -10.359 0.459 0.748 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.437 2.527 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.482 0.922 4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.892 0.308 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.802 2.356 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.311 3.246 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.129 1.702 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.544 0.954 6.430 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.581 3.247 7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.982 4.884 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.744 5.098 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.939 2.421 9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.143 3.678 9.742 1.00 0.00 H new ATOM 556 N CYS A 38 -9.059 3.575 2.476 1.00 0.00 N ATOM 557 CA CYS A 38 -7.769 4.247 2.114 1.00 0.00 C ATOM 558 C CYS A 38 -6.586 3.370 2.549 1.00 0.00 C ATOM 559 O CYS A 38 -6.538 2.905 3.670 1.00 0.00 O ATOM 560 CB CYS A 38 -7.690 5.595 2.829 1.00 0.00 C ATOM 561 SG CYS A 38 -8.482 7.012 2.027 1.00 0.00 S ATOM 0 H CYS A 38 -9.663 4.098 3.110 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.727 4.396 1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.132 5.478 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.637 5.837 2.977 1.00 0.00 H new ATOM 566 N GLU A 39 -5.653 3.162 1.653 1.00 0.00 N ATOM 567 CA GLU A 39 -4.477 2.312 2.015 1.00 0.00 C ATOM 568 C GLU A 39 -3.459 2.286 0.869 1.00 0.00 C ATOM 569 O GLU A 39 -3.724 2.767 -0.215 1.00 0.00 O ATOM 570 CB GLU A 39 -4.957 0.891 2.300 1.00 0.00 C ATOM 571 CG GLU A 39 -4.603 0.519 3.742 1.00 0.00 C ATOM 572 CD GLU A 39 -5.182 -0.861 4.063 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.998 -1.733 3.230 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.775 -0.965 5.125 1.00 0.00 O ATOM 0 H GLU A 39 -5.653 3.536 0.704 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.996 2.730 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.034 0.821 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.491 0.191 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.521 0.512 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.003 1.263 4.431 1.00 0.00 H new ATOM 581 N CYS A 40 -2.316 1.714 1.134 1.00 0.00 N ATOM 582 CA CYS A 40 -1.258 1.646 0.080 1.00 0.00 C ATOM 583 C CYS A 40 -1.797 0.959 -1.182 1.00 0.00 C ATOM 584 O CYS A 40 -2.844 0.342 -1.156 1.00 0.00 O ATOM 585 CB CYS A 40 -0.073 0.849 0.622 1.00 0.00 C ATOM 586 SG CYS A 40 1.587 1.453 0.227 1.00 0.00 S ATOM 0 H CYS A 40 -2.068 1.292 2.029 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.948 2.658 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.166 0.804 1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.157 -0.173 0.252 1.00 0.00 H new ATOM 591 N ILE A 41 -1.064 1.087 -2.262 1.00 0.00 N ATOM 592 CA ILE A 41 -1.507 0.452 -3.545 1.00 0.00 C ATOM 593 C ILE A 41 -0.322 -0.259 -4.218 1.00 0.00 C ATOM 594 O ILE A 41 0.520 0.373 -4.821 1.00 0.00 O ATOM 595 CB ILE A 41 -2.040 1.534 -4.490 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.060 2.406 -3.748 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.723 0.868 -5.686 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.355 3.651 -3.197 1.00 0.00 C ATOM 0 H ILE A 41 -0.184 1.600 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.290 -0.275 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.213 2.154 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.865 2.698 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.515 1.841 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.104 1.635 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.003 0.244 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.550 0.250 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.077 4.274 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.565 3.348 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.921 4.218 -4.021 1.00 0.00 H new ATOM 610 N ALA A 42 -0.287 -1.558 -4.104 1.00 0.00 N ATOM 611 CA ALA A 42 0.839 -2.315 -4.731 1.00 0.00 C ATOM 612 C ALA A 42 0.669 -2.367 -6.255 1.00 0.00 C ATOM 613 O ALA A 42 1.629 -2.265 -6.993 1.00 0.00 O ATOM 614 CB ALA A 42 0.856 -3.740 -4.174 1.00 0.00 C ATOM 0 H ALA A 42 -0.978 -2.124 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 42 1.777 -1.810 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.675 -4.298 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.994 -3.707 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.089 -4.232 -4.404 1.00 0.00 H new ATOM 620 N SER A 43 -0.552 -2.516 -6.692 1.00 0.00 N ATOM 621 CA SER A 43 -0.807 -2.591 -8.162 1.00 0.00 C ATOM 622 C SER A 43 -0.334 -1.312 -8.866 1.00 0.00 C ATOM 623 O SER A 43 -0.238 -1.272 -10.076 1.00 0.00 O ATOM 624 CB SER A 43 -2.305 -2.773 -8.398 1.00 0.00 C ATOM 625 OG SER A 43 -2.512 -4.168 -8.240 1.00 0.00 O ATOM 0 H SER A 43 -1.380 -2.589 -6.101 1.00 0.00 H new ATOM 0 HA SER A 43 -0.253 -3.435 -8.572 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.894 -2.199 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.596 -2.437 -9.393 1.00 0.00 H new ATOM 0 HG SER A 43 -3.460 -4.375 -8.375 1.00 0.00 H new ATOM 631 N ALA A 44 -0.045 -0.297 -8.098 1.00 0.00 N ATOM 632 CA ALA A 44 0.416 0.982 -8.721 1.00 0.00 C ATOM 633 C ALA A 44 1.947 1.056 -8.718 1.00 0.00 C ATOM 634 O ALA A 44 2.545 1.515 -9.672 1.00 0.00 O ATOM 635 CB ALA A 44 -0.152 2.158 -7.930 1.00 0.00 C ATOM 0 H ALA A 44 -0.106 -0.294 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 44 0.065 1.022 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.181 3.094 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.241 2.115 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.198 2.106 -6.899 1.00 0.00 H new ATOM 641 N GLY A 45 2.541 0.602 -7.646 1.00 0.00 N ATOM 642 CA GLY A 45 4.034 0.637 -7.555 1.00 0.00 C ATOM 643 C GLY A 45 4.483 1.184 -6.197 1.00 0.00 C ATOM 644 O GLY A 45 5.589 1.669 -6.055 1.00 0.00 O ATOM 0 H GLY A 45 2.063 0.211 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.435 -0.366 -7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.437 1.259 -8.354 1.00 0.00 H new ATOM 648 N PHE A 46 3.616 1.101 -5.223 1.00 0.00 N ATOM 649 CA PHE A 46 3.989 1.609 -3.871 1.00 0.00 C ATOM 650 C PHE A 46 4.590 0.475 -3.036 1.00 0.00 C ATOM 651 O PHE A 46 4.332 -0.685 -3.287 1.00 0.00 O ATOM 652 CB PHE A 46 2.744 2.154 -3.175 1.00 0.00 C ATOM 653 CG PHE A 46 2.349 3.490 -3.814 1.00 0.00 C ATOM 654 CD1 PHE A 46 1.480 3.524 -4.889 1.00 0.00 C ATOM 655 CD2 PHE A 46 2.857 4.679 -3.322 1.00 0.00 C ATOM 656 CE1 PHE A 46 1.125 4.727 -5.463 1.00 0.00 C ATOM 657 CE2 PHE A 46 2.500 5.881 -3.899 1.00 0.00 C ATOM 658 CZ PHE A 46 1.635 5.904 -4.969 1.00 0.00 C ATOM 0 H PHE A 46 2.678 0.709 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 46 4.728 2.404 -3.975 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.924 1.441 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.939 2.290 -2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.076 2.602 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.536 4.667 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.445 4.744 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.900 6.805 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.357 6.845 -5.420 1.00 0.00 H new ATOM 668 N VAL A 47 5.381 0.835 -2.063 1.00 0.00 N ATOM 669 CA VAL A 47 6.010 -0.214 -1.204 1.00 0.00 C ATOM 670 C VAL A 47 6.090 0.259 0.244 1.00 0.00 C ATOM 671 O VAL A 47 6.201 1.440 0.510 1.00 0.00 O ATOM 672 CB VAL A 47 7.417 -0.494 -1.711 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.414 -0.486 -3.232 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.360 0.597 -1.207 1.00 0.00 C ATOM 0 H VAL A 47 5.619 1.798 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 47 5.403 -1.118 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 47 7.750 -1.466 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.421 -0.686 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.734 -1.255 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.085 0.489 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.370 0.401 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.025 1.566 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.359 0.604 -0.117 1.00 0.00 H new ATOM 684 N ARG A 48 6.033 -0.674 1.153 1.00 0.00 N ATOM 685 CA ARG A 48 6.114 -0.299 2.586 1.00 0.00 C ATOM 686 C ARG A 48 7.555 -0.416 3.086 1.00 0.00 C ATOM 687 O ARG A 48 8.124 -1.491 3.106 1.00 0.00 O ATOM 688 CB ARG A 48 5.210 -1.226 3.392 1.00 0.00 C ATOM 689 CG ARG A 48 3.905 -1.422 2.624 1.00 0.00 C ATOM 690 CD ARG A 48 2.839 -1.968 3.571 1.00 0.00 C ATOM 691 NE ARG A 48 3.484 -2.895 4.542 1.00 0.00 N ATOM 692 CZ ARG A 48 3.512 -4.173 4.284 1.00 0.00 C ATOM 693 NH1 ARG A 48 2.385 -4.800 4.080 1.00 0.00 N ATOM 694 NH2 ARG A 48 4.664 -4.783 4.236 1.00 0.00 N ATOM 0 H ARG A 48 5.935 -1.672 0.965 1.00 0.00 H new ATOM 0 HA ARG A 48 5.789 0.734 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.701 -2.185 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.010 -0.799 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.576 -0.475 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.058 -2.112 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.350 -1.150 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.066 -2.491 3.007 1.00 0.00 H new ATOM 0 HE ARG A 48 3.900 -2.534 5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.503 -4.290 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.387 -5.800 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.525 -4.261 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.704 -5.782 4.035 1.00 0.00 H new ATOM 708 N ASP A 49 8.117 0.694 3.479 1.00 0.00 N ATOM 709 CA ASP A 49 9.520 0.667 3.978 1.00 0.00 C ATOM 710 C ASP A 49 9.597 -0.160 5.260 1.00 0.00 C ATOM 711 O ASP A 49 8.627 -0.272 5.985 1.00 0.00 O ATOM 712 CB ASP A 49 9.980 2.090 4.268 1.00 0.00 C ATOM 713 CG ASP A 49 11.508 2.139 4.252 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.072 1.724 5.252 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.026 2.585 3.242 1.00 0.00 O ATOM 0 H ASP A 49 7.670 1.611 3.476 1.00 0.00 H new ATOM 0 HA ASP A 49 10.163 0.219 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.575 2.775 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.604 2.416 5.238 1.00 0.00 H new ATOM 720 N ALA A 50 10.754 -0.714 5.514 1.00 0.00 N ATOM 721 CA ALA A 50 10.920 -1.542 6.741 1.00 0.00 C ATOM 722 C ALA A 50 10.282 -0.835 7.932 1.00 0.00 C ATOM 723 O ALA A 50 9.925 -1.459 8.913 1.00 0.00 O ATOM 724 CB ALA A 50 12.409 -1.748 7.007 1.00 0.00 C ATOM 0 H ALA A 50 11.585 -0.629 4.928 1.00 0.00 H new ATOM 0 HA ALA A 50 10.434 -2.507 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.538 -2.354 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.863 -2.257 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.890 -0.781 7.150 1.00 0.00 H new ATOM 730 N GLN A 51 10.153 0.454 7.819 1.00 0.00 N ATOM 731 CA GLN A 51 9.533 1.227 8.930 1.00 0.00 C ATOM 732 C GLN A 51 8.011 1.197 8.791 1.00 0.00 C ATOM 733 O GLN A 51 7.319 2.053 9.306 1.00 0.00 O ATOM 734 CB GLN A 51 10.024 2.671 8.869 1.00 0.00 C ATOM 735 CG GLN A 51 11.539 2.697 9.078 1.00 0.00 C ATOM 736 CD GLN A 51 11.860 3.453 10.369 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.623 4.640 10.482 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.400 2.806 11.365 1.00 0.00 N ATOM 0 H GLN A 51 10.447 1.004 7.012 1.00 0.00 H new ATOM 0 HA GLN A 51 9.813 0.784 9.885 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.770 3.113 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.529 3.269 9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.927 1.680 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.026 3.179 8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.601 1.810 11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.621 3.296 12.232 1.00 0.00 H new ATOM 747 N GLY A 52 7.522 0.207 8.094 1.00 0.00 N ATOM 748 CA GLY A 52 6.051 0.105 7.901 1.00 0.00 C ATOM 749 C GLY A 52 5.512 1.420 7.347 1.00 0.00 C ATOM 750 O GLY A 52 4.450 1.868 7.733 1.00 0.00 O ATOM 0 H GLY A 52 8.074 -0.529 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.820 -0.711 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.566 -0.127 8.849 1.00 0.00 H new ATOM 754 N ASN A 53 6.259 2.008 6.441 1.00 0.00 N ATOM 755 CA ASN A 53 5.815 3.314 5.847 1.00 0.00 C ATOM 756 C ASN A 53 5.486 3.150 4.361 1.00 0.00 C ATOM 757 O ASN A 53 6.340 2.816 3.567 1.00 0.00 O ATOM 758 CB ASN A 53 6.934 4.338 6.003 1.00 0.00 C ATOM 759 CG ASN A 53 6.872 4.946 7.405 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.531 4.375 8.373 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 6.222 5.948 7.630 1.00 0.00 N flip ATOM 0 H ASN A 53 7.146 1.647 6.090 1.00 0.00 H new ATOM 0 HA ASN A 53 4.918 3.650 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.902 3.863 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.834 5.120 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.704 6.400 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.195 6.337 8.572 1.00 0.00 H new ATOM 768 N CYS A 54 4.255 3.406 4.019 1.00 0.00 N ATOM 769 CA CYS A 54 3.843 3.272 2.589 1.00 0.00 C ATOM 770 C CYS A 54 4.438 4.417 1.762 1.00 0.00 C ATOM 771 O CYS A 54 4.084 5.565 1.942 1.00 0.00 O ATOM 772 CB CYS A 54 2.316 3.316 2.503 1.00 0.00 C ATOM 773 SG CYS A 54 1.577 3.374 0.851 1.00 0.00 S ATOM 0 H CYS A 54 3.519 3.700 4.660 1.00 0.00 H new ATOM 0 HA CYS A 54 4.209 2.324 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.924 2.438 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.972 4.190 3.057 1.00 0.00 H new ATOM 778 N ILE A 55 5.332 4.077 0.872 1.00 0.00 N ATOM 779 CA ILE A 55 5.966 5.133 0.031 1.00 0.00 C ATOM 780 C ILE A 55 6.229 4.607 -1.384 1.00 0.00 C ATOM 781 O ILE A 55 6.382 3.419 -1.592 1.00 0.00 O ATOM 782 CB ILE A 55 7.289 5.553 0.673 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.184 4.318 0.823 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.015 6.149 2.056 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.463 4.710 1.566 1.00 0.00 C ATOM 0 H ILE A 55 5.648 3.124 0.692 1.00 0.00 H new ATOM 0 HA ILE A 55 5.293 5.988 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 55 7.784 6.296 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.657 3.536 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.429 3.911 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.957 6.449 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.367 7.019 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.526 5.403 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.103 3.835 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.991 5.478 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.207 5.097 2.552 1.00 0.00 H new ATOM 797 N LYS A 56 6.278 5.509 -2.325 1.00 0.00 N ATOM 798 CA LYS A 56 6.530 5.091 -3.739 1.00 0.00 C ATOM 799 C LYS A 56 7.793 4.224 -3.827 1.00 0.00 C ATOM 800 O LYS A 56 8.606 4.213 -2.925 1.00 0.00 O ATOM 801 CB LYS A 56 6.717 6.340 -4.603 1.00 0.00 C ATOM 802 CG LYS A 56 5.471 7.222 -4.499 1.00 0.00 C ATOM 803 CD LYS A 56 5.788 8.606 -5.071 1.00 0.00 C ATOM 804 CE LYS A 56 6.288 8.453 -6.509 1.00 0.00 C ATOM 805 NZ LYS A 56 6.064 9.710 -7.276 1.00 0.00 N ATOM 0 H LYS A 56 6.156 6.511 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 56 5.679 4.510 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.596 6.894 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.889 6.055 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.643 6.770 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.157 7.308 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.898 9.235 -5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.544 9.100 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.350 8.206 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.769 7.626 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.409 9.589 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.048 9.929 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.579 10.491 -6.821 1.00 0.00 H new ATOM 819 N PHE A 57 7.924 3.514 -4.916 1.00 0.00 N ATOM 820 CA PHE A 57 9.126 2.645 -5.091 1.00 0.00 C ATOM 821 C PHE A 57 10.381 3.509 -5.279 1.00 0.00 C ATOM 822 O PHE A 57 11.447 3.172 -4.803 1.00 0.00 O ATOM 823 CB PHE A 57 8.930 1.765 -6.326 1.00 0.00 C ATOM 824 CG PHE A 57 9.335 0.327 -6.000 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.602 0.048 -5.519 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.441 -0.716 -6.181 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.967 -1.249 -5.223 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.811 -2.012 -5.884 1.00 0.00 C ATOM 829 CZ PHE A 57 10.072 -2.276 -5.408 1.00 0.00 C ATOM 0 H PHE A 57 7.257 3.497 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 57 9.252 2.024 -4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.889 1.797 -6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.530 2.144 -7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.310 0.851 -5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.449 -0.514 -6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.957 -1.458 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.108 -2.820 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.361 -3.291 -5.179 1.00 0.00 H new ATOM 839 N GLU A 58 10.223 4.604 -5.972 1.00 0.00 N ATOM 840 CA GLU A 58 11.393 5.501 -6.209 1.00 0.00 C ATOM 841 C GLU A 58 11.952 6.020 -4.878 1.00 0.00 C ATOM 842 O GLU A 58 13.106 6.392 -4.790 1.00 0.00 O ATOM 843 CB GLU A 58 10.949 6.680 -7.071 1.00 0.00 C ATOM 844 CG GLU A 58 10.501 6.158 -8.438 1.00 0.00 C ATOM 845 CD GLU A 58 9.167 6.804 -8.814 1.00 0.00 C ATOM 846 OE1 GLU A 58 8.165 6.299 -8.332 1.00 0.00 O ATOM 847 OE2 GLU A 58 9.223 7.766 -9.562 1.00 0.00 O ATOM 0 H GLU A 58 9.342 4.916 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 58 12.176 4.939 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.132 7.214 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.768 7.389 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.254 6.387 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.398 5.073 -8.410 1.00 0.00 H new ATOM 854 N ASP A 59 11.121 6.036 -3.871 1.00 0.00 N ATOM 855 CA ASP A 59 11.592 6.527 -2.542 1.00 0.00 C ATOM 856 C ASP A 59 12.103 5.354 -1.701 1.00 0.00 C ATOM 857 O ASP A 59 12.149 5.426 -0.488 1.00 0.00 O ATOM 858 CB ASP A 59 10.430 7.208 -1.818 1.00 0.00 C ATOM 859 CG ASP A 59 10.091 8.520 -2.527 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.157 8.511 -3.745 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.787 9.460 -1.810 1.00 0.00 O ATOM 0 H ASP A 59 10.147 5.734 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 59 12.405 7.239 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.559 6.552 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.697 7.401 -0.779 1.00 0.00 H new ATOM 866 N CYS A 60 12.475 4.298 -2.367 1.00 0.00 N ATOM 867 CA CYS A 60 12.985 3.105 -1.631 1.00 0.00 C ATOM 868 C CYS A 60 14.256 3.478 -0.836 1.00 0.00 C ATOM 869 O CYS A 60 14.901 4.464 -1.133 1.00 0.00 O ATOM 870 CB CYS A 60 13.318 2.016 -2.649 1.00 0.00 C ATOM 871 SG CYS A 60 12.144 0.655 -2.827 1.00 0.00 S ATOM 0 H CYS A 60 12.449 4.207 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 60 12.228 2.749 -0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.434 2.490 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.287 1.592 -2.384 1.00 0.00 H new ATOM 876 N PRO A 61 14.594 2.677 0.168 1.00 0.00 N ATOM 877 CA PRO A 61 15.789 2.934 0.983 1.00 0.00 C ATOM 878 C PRO A 61 17.038 3.041 0.098 1.00 0.00 C ATOM 879 O PRO A 61 16.940 3.094 -1.112 1.00 0.00 O ATOM 880 CB PRO A 61 15.902 1.730 1.927 1.00 0.00 C ATOM 881 CG PRO A 61 14.693 0.792 1.632 1.00 0.00 C ATOM 882 CD PRO A 61 13.830 1.475 0.557 1.00 0.00 C ATOM 0 HA PRO A 61 15.711 3.874 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.844 1.204 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.891 2.055 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.039 -0.182 1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.112 0.619 2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.667 0.817 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.848 1.740 0.948 1.00 0.00 H new ATOM 890 N LYS A 62 18.184 3.068 0.722 1.00 0.00 N ATOM 891 CA LYS A 62 19.444 3.173 -0.070 1.00 0.00 C ATOM 892 C LYS A 62 19.524 2.029 -1.088 1.00 0.00 C ATOM 893 O LYS A 62 19.018 0.970 -0.755 1.00 0.00 O ATOM 894 CB LYS A 62 20.638 3.095 0.877 1.00 0.00 C ATOM 895 CG LYS A 62 20.587 4.283 1.845 1.00 0.00 C ATOM 896 CD LYS A 62 20.683 3.771 3.289 1.00 0.00 C ATOM 897 CE LYS A 62 21.999 2.998 3.489 1.00 0.00 C ATOM 898 NZ LYS A 62 23.010 3.385 2.464 1.00 0.00 N ATOM 899 OXT LYS A 62 20.089 2.280 -2.141 1.00 0.00 O ATOM 0 H LYS A 62 18.303 3.023 1.734 1.00 0.00 H new ATOM 0 HA LYS A 62 19.455 4.123 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.618 2.157 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.569 3.111 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.406 4.971 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 62 19.660 4.840 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.635 4.609 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.835 3.124 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.393 3.196 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.808 1.927 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.965 3.192 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.853 2.834 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.919 4.399 2.252 1.00 0.00 H new TER 913 LYS A 62