USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ -129:sc= 0.00439 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -2.78! C(o=-2.8!,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 174:sc= -0.763 USER MOD Single : A 19 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.47) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.64 K(o=-0.64,f=-4.8!) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.129) USER MOD Single : A 60 SER OG : rot -47:sc= 0.027 USER MOD Single : A 67 ASN : amide:sc= -0.754 K(o=-0.75,f=-3.5!) USER MOD Single : A 68 GLN : amide:sc= -0.816 X(o=-0.82,f=-1.3!) USER MOD Single : A 76 SER OG : rot -1:sc= 1.03 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.004 -9.493 -33.170 1.00 0.00 N ATOM 2 CA GLY A 1 11.858 -8.605 -33.118 1.00 0.00 C ATOM 3 C GLY A 1 11.651 -8.005 -31.741 1.00 0.00 C ATOM 4 O GLY A 1 12.495 -7.257 -31.249 1.00 0.00 O ATOM 0 H1 GLY A 1 13.102 -9.877 -34.132 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.864 -8.965 -32.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.868 -10.275 -32.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.991 -7.803 -33.844 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.963 -9.154 -33.410 1.00 0.00 H new ATOM 8 N SER A 2 10.523 -8.333 -31.118 1.00 0.00 N ATOM 9 CA SER A 2 10.205 -7.817 -29.792 1.00 0.00 C ATOM 10 C SER A 2 10.440 -8.882 -28.725 1.00 0.00 C ATOM 11 O SER A 2 10.632 -10.057 -29.036 1.00 0.00 O ATOM 12 CB SER A 2 8.752 -7.341 -29.742 1.00 0.00 C ATOM 13 OG SER A 2 7.863 -8.431 -29.575 1.00 0.00 O ATOM 0 H SER A 2 9.815 -8.953 -31.510 1.00 0.00 H new ATOM 0 HA SER A 2 10.864 -6.972 -29.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.625 -6.636 -28.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.509 -6.807 -30.661 1.00 0.00 H new ATOM 0 HG SER A 2 6.941 -8.100 -29.545 1.00 0.00 H new ATOM 19 N SER A 3 10.423 -8.461 -27.464 1.00 0.00 N ATOM 20 CA SER A 3 10.637 -9.377 -26.349 1.00 0.00 C ATOM 21 C SER A 3 9.617 -9.132 -25.242 1.00 0.00 C ATOM 22 O SER A 3 9.305 -7.989 -24.911 1.00 0.00 O ATOM 23 CB SER A 3 12.055 -9.218 -25.797 1.00 0.00 C ATOM 24 OG SER A 3 12.295 -7.883 -25.385 1.00 0.00 O ATOM 0 H SER A 3 10.263 -7.492 -27.189 1.00 0.00 H new ATOM 0 HA SER A 3 10.510 -10.395 -26.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.198 -9.894 -24.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.780 -9.502 -26.560 1.00 0.00 H new ATOM 0 HG SER A 3 13.207 -7.808 -25.035 1.00 0.00 H new ATOM 30 N GLY A 4 9.101 -10.217 -24.671 1.00 0.00 N ATOM 31 CA GLY A 4 8.122 -10.100 -23.606 1.00 0.00 C ATOM 32 C GLY A 4 8.643 -10.616 -22.280 1.00 0.00 C ATOM 33 O GLY A 4 9.323 -11.641 -22.229 1.00 0.00 O ATOM 0 H GLY A 4 9.344 -11.174 -24.927 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.832 -9.055 -23.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.224 -10.653 -23.880 1.00 0.00 H new ATOM 37 N SER A 5 8.325 -9.905 -21.203 1.00 0.00 N ATOM 38 CA SER A 5 8.770 -10.294 -19.870 1.00 0.00 C ATOM 39 C SER A 5 7.885 -11.400 -19.303 1.00 0.00 C ATOM 40 O SER A 5 6.869 -11.130 -18.664 1.00 0.00 O ATOM 41 CB SER A 5 8.759 -9.085 -18.933 1.00 0.00 C ATOM 42 OG SER A 5 9.729 -8.129 -19.323 1.00 0.00 O ATOM 0 H SER A 5 7.760 -9.056 -21.228 1.00 0.00 H new ATOM 0 HA SER A 5 9.789 -10.673 -19.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.770 -8.627 -18.937 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.955 -9.411 -17.911 1.00 0.00 H new ATOM 0 HG SER A 5 9.701 -7.365 -18.710 1.00 0.00 H new ATOM 48 N SER A 6 8.280 -12.646 -19.543 1.00 0.00 N ATOM 49 CA SER A 6 7.521 -13.794 -19.060 1.00 0.00 C ATOM 50 C SER A 6 7.908 -14.136 -17.624 1.00 0.00 C ATOM 51 O SER A 6 9.047 -14.508 -17.348 1.00 0.00 O ATOM 52 CB SER A 6 7.757 -15.005 -19.965 1.00 0.00 C ATOM 53 OG SER A 6 7.363 -14.729 -21.299 1.00 0.00 O ATOM 0 H SER A 6 9.120 -12.886 -20.069 1.00 0.00 H new ATOM 0 HA SER A 6 6.463 -13.534 -19.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.812 -15.279 -19.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.197 -15.860 -19.587 1.00 0.00 H new ATOM 0 HG SER A 6 7.525 -15.518 -21.858 1.00 0.00 H new ATOM 59 N GLY A 7 6.948 -14.005 -16.713 1.00 0.00 N ATOM 60 CA GLY A 7 7.207 -14.303 -15.316 1.00 0.00 C ATOM 61 C GLY A 7 6.327 -13.499 -14.379 1.00 0.00 C ATOM 62 O GLY A 7 5.207 -13.904 -14.067 1.00 0.00 O ATOM 0 H GLY A 7 5.997 -13.698 -16.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.045 -15.366 -15.138 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.254 -14.098 -15.092 1.00 0.00 H new ATOM 66 N ASP A 8 6.835 -12.357 -13.928 1.00 0.00 N ATOM 67 CA ASP A 8 6.088 -11.494 -13.021 1.00 0.00 C ATOM 68 C ASP A 8 4.727 -11.136 -13.608 1.00 0.00 C ATOM 69 O ASP A 8 4.532 -11.182 -14.823 1.00 0.00 O ATOM 70 CB ASP A 8 6.881 -10.220 -12.727 1.00 0.00 C ATOM 71 CG ASP A 8 7.999 -10.451 -11.729 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.733 -11.056 -10.670 1.00 0.00 O ATOM 73 OD2 ASP A 8 9.140 -10.026 -12.007 1.00 0.00 O ATOM 0 H ASP A 8 7.761 -12.008 -14.176 1.00 0.00 H new ATOM 0 HA ASP A 8 5.930 -12.038 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.301 -9.835 -13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.206 -9.456 -12.341 1.00 0.00 H new ATOM 78 N SER A 9 3.787 -10.781 -12.738 1.00 0.00 N ATOM 79 CA SER A 9 2.442 -10.420 -13.170 1.00 0.00 C ATOM 80 C SER A 9 1.895 -9.264 -12.337 1.00 0.00 C ATOM 81 O SER A 9 2.209 -9.135 -11.154 1.00 0.00 O ATOM 82 CB SER A 9 1.508 -11.627 -13.063 1.00 0.00 C ATOM 83 OG SER A 9 1.753 -12.556 -14.105 1.00 0.00 O ATOM 0 H SER A 9 3.932 -10.736 -11.729 1.00 0.00 H new ATOM 0 HA SER A 9 2.495 -10.101 -14.211 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.647 -12.114 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.471 -11.293 -13.105 1.00 0.00 H new ATOM 0 HG SER A 9 1.145 -13.319 -14.013 1.00 0.00 H new ATOM 89 N ILE A 10 1.077 -8.427 -12.964 1.00 0.00 N ATOM 90 CA ILE A 10 0.485 -7.283 -12.282 1.00 0.00 C ATOM 91 C ILE A 10 -0.946 -7.580 -11.849 1.00 0.00 C ATOM 92 O ILE A 10 -1.857 -7.640 -12.676 1.00 0.00 O ATOM 93 CB ILE A 10 0.489 -6.029 -13.177 1.00 0.00 C ATOM 94 CG1 ILE A 10 1.894 -5.772 -13.725 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.012 -4.822 -12.400 1.00 0.00 C ATOM 96 CD1 ILE A 10 2.927 -5.526 -12.647 1.00 0.00 C ATOM 0 H ILE A 10 0.809 -8.519 -13.944 1.00 0.00 H new ATOM 0 HA ILE A 10 1.096 -7.092 -11.400 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.183 -6.199 -14.018 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.203 -6.628 -14.325 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.863 -4.910 -14.391 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.003 -3.944 -13.046 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.029 -5.008 -12.055 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.636 -4.647 -11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.899 -5.351 -13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.641 -4.652 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.986 -6.397 -11.994 1.00 0.00 H new ATOM 108 N VAL A 11 -1.139 -7.764 -10.547 1.00 0.00 N ATOM 109 CA VAL A 11 -2.461 -8.053 -10.003 1.00 0.00 C ATOM 110 C VAL A 11 -3.043 -6.833 -9.297 1.00 0.00 C ATOM 111 O VAL A 11 -2.339 -5.856 -9.042 1.00 0.00 O ATOM 112 CB VAL A 11 -2.415 -9.232 -9.013 1.00 0.00 C ATOM 113 CG1 VAL A 11 -1.664 -8.840 -7.750 1.00 0.00 C ATOM 114 CG2 VAL A 11 -3.823 -9.703 -8.682 1.00 0.00 C ATOM 0 H VAL A 11 -0.397 -7.718 -9.849 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.099 -8.321 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.881 -10.058 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.642 -9.686 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.644 -8.555 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.167 -7.998 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.773 -10.536 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.384 -8.884 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.323 -10.026 -9.595 1.00 0.00 H new ATOM 124 N SER A 12 -4.333 -6.897 -8.983 1.00 0.00 N ATOM 125 CA SER A 12 -5.011 -5.796 -8.309 1.00 0.00 C ATOM 126 C SER A 12 -5.755 -6.292 -7.073 1.00 0.00 C ATOM 127 O SER A 12 -6.491 -7.277 -7.131 1.00 0.00 O ATOM 128 CB SER A 12 -5.988 -5.110 -9.265 1.00 0.00 C ATOM 129 OG SER A 12 -7.170 -5.876 -9.424 1.00 0.00 O ATOM 0 H SER A 12 -4.929 -7.700 -9.185 1.00 0.00 H new ATOM 0 HA SER A 12 -4.257 -5.076 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.241 -4.121 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.512 -4.965 -10.235 1.00 0.00 H new ATOM 0 HG SER A 12 -7.817 -5.371 -9.960 1.00 0.00 H new ATOM 135 N ALA A 13 -5.556 -5.602 -5.955 1.00 0.00 N ATOM 136 CA ALA A 13 -6.209 -5.970 -4.704 1.00 0.00 C ATOM 137 C ALA A 13 -7.249 -4.930 -4.301 1.00 0.00 C ATOM 138 O ALA A 13 -7.058 -3.733 -4.517 1.00 0.00 O ATOM 139 CB ALA A 13 -5.176 -6.142 -3.600 1.00 0.00 C ATOM 0 H ALA A 13 -4.948 -4.785 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.723 -6.919 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.678 -6.417 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.473 -6.927 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.636 -5.206 -3.457 1.00 0.00 H new ATOM 145 N GLU A 14 -8.347 -5.394 -3.714 1.00 0.00 N ATOM 146 CA GLU A 14 -9.417 -4.503 -3.283 1.00 0.00 C ATOM 147 C GLU A 14 -9.464 -4.405 -1.761 1.00 0.00 C ATOM 148 O GLU A 14 -9.735 -5.389 -1.073 1.00 0.00 O ATOM 149 CB GLU A 14 -10.766 -4.993 -3.815 1.00 0.00 C ATOM 150 CG GLU A 14 -11.958 -4.276 -3.204 1.00 0.00 C ATOM 151 CD GLU A 14 -13.259 -5.029 -3.408 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.294 -6.242 -3.112 1.00 0.00 O ATOM 153 OE2 GLU A 14 -14.240 -4.406 -3.863 1.00 0.00 O ATOM 0 H GLU A 14 -8.519 -6.382 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.213 -3.512 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.790 -4.862 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.857 -6.062 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.786 -4.138 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.045 -3.283 -3.644 1.00 0.00 H new ATOM 160 N ALA A 15 -9.197 -3.211 -1.241 1.00 0.00 N ATOM 161 CA ALA A 15 -9.209 -2.984 0.198 1.00 0.00 C ATOM 162 C ALA A 15 -10.546 -3.394 0.807 1.00 0.00 C ATOM 163 O ALA A 15 -11.541 -2.679 0.683 1.00 0.00 O ATOM 164 CB ALA A 15 -8.912 -1.524 0.505 1.00 0.00 C ATOM 0 H ALA A 15 -8.970 -2.386 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.431 -3.603 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.924 -1.369 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.930 -1.262 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.669 -0.893 0.039 1.00 0.00 H new ATOM 170 N VAL A 16 -10.562 -4.548 1.465 1.00 0.00 N ATOM 171 CA VAL A 16 -11.777 -5.053 2.094 1.00 0.00 C ATOM 172 C VAL A 16 -11.983 -4.430 3.470 1.00 0.00 C ATOM 173 O VAL A 16 -13.116 -4.217 3.903 1.00 0.00 O ATOM 174 CB VAL A 16 -11.741 -6.586 2.237 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.916 -7.253 0.881 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.442 -7.028 2.894 1.00 0.00 C ATOM 0 H VAL A 16 -9.747 -5.151 1.577 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.607 -4.776 1.445 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.569 -6.894 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.888 -8.336 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.875 -6.960 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.111 -6.941 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.433 -8.114 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.598 -6.709 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.363 -6.578 3.884 1.00 0.00 H new ATOM 186 N TRP A 17 -10.882 -4.139 4.152 1.00 0.00 N ATOM 187 CA TRP A 17 -10.941 -3.540 5.480 1.00 0.00 C ATOM 188 C TRP A 17 -10.060 -2.297 5.557 1.00 0.00 C ATOM 189 O TRP A 17 -8.862 -2.357 5.280 1.00 0.00 O ATOM 190 CB TRP A 17 -10.507 -4.554 6.540 1.00 0.00 C ATOM 191 CG TRP A 17 -11.537 -5.608 6.810 1.00 0.00 C ATOM 192 CD1 TRP A 17 -12.158 -6.402 5.888 1.00 0.00 C ATOM 193 CD2 TRP A 17 -12.067 -5.982 8.086 1.00 0.00 C ATOM 194 NE1 TRP A 17 -13.042 -7.247 6.515 1.00 0.00 N ATOM 195 CE2 TRP A 17 -13.004 -7.010 7.863 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.840 -5.551 9.396 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -13.712 -7.610 8.902 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -12.543 -6.147 10.425 1.00 0.00 C ATOM 199 CH2 TRP A 17 -13.470 -7.167 10.174 1.00 0.00 C ATOM 0 H TRP A 17 -9.937 -4.308 3.807 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.972 -3.244 5.671 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.583 -5.033 6.217 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.285 -4.027 7.468 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.980 -6.370 4.823 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.631 -7.939 6.051 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -11.127 -4.766 9.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -14.427 -8.397 8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -12.375 -5.821 11.441 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -14.004 -7.612 11.000 1.00 0.00 H new ATOM 210 N ASP A 18 -10.661 -1.174 5.934 1.00 0.00 N ATOM 211 CA ASP A 18 -9.930 0.083 6.048 1.00 0.00 C ATOM 212 C ASP A 18 -8.643 -0.108 6.845 1.00 0.00 C ATOM 213 O ASP A 18 -8.634 -0.773 7.881 1.00 0.00 O ATOM 214 CB ASP A 18 -10.803 1.147 6.714 1.00 0.00 C ATOM 215 CG ASP A 18 -12.279 0.944 6.432 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.867 -0.002 6.997 1.00 0.00 O ATOM 217 OD2 ASP A 18 -12.846 1.732 5.647 1.00 0.00 O ATOM 0 H ASP A 18 -11.652 -1.108 6.166 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.669 0.415 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.636 1.128 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.501 2.133 6.362 1.00 0.00 H new ATOM 222 N HIS A 19 -7.556 0.479 6.353 1.00 0.00 N ATOM 223 CA HIS A 19 -6.263 0.374 7.019 1.00 0.00 C ATOM 224 C HIS A 19 -5.692 1.757 7.320 1.00 0.00 C ATOM 225 O HIS A 19 -4.826 2.253 6.598 1.00 0.00 O ATOM 226 CB HIS A 19 -5.283 -0.418 6.153 1.00 0.00 C ATOM 227 CG HIS A 19 -3.877 -0.399 6.670 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.830 0.180 5.983 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.347 -0.891 7.814 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.718 0.041 6.682 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.005 -0.605 7.798 1.00 0.00 N ATOM 0 H HIS A 19 -7.545 1.032 5.496 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.410 -0.152 7.963 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.623 -1.451 6.086 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.295 -0.012 5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.881 -1.412 8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.740 0.395 6.391 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.338 -0.851 8.529 1.00 0.00 H new ATOM 240 N VAL A 20 -6.183 2.375 8.389 1.00 0.00 N ATOM 241 CA VAL A 20 -5.722 3.700 8.785 1.00 0.00 C ATOM 242 C VAL A 20 -4.350 3.630 9.445 1.00 0.00 C ATOM 243 O VAL A 20 -3.951 2.588 9.966 1.00 0.00 O ATOM 244 CB VAL A 20 -6.712 4.372 9.755 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.089 4.488 9.119 1.00 0.00 C ATOM 246 CG2 VAL A 20 -6.784 3.599 11.063 1.00 0.00 C ATOM 0 H VAL A 20 -6.900 1.979 8.997 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.654 4.296 7.875 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.353 5.378 9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.774 4.965 9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.021 5.088 8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.459 3.494 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.488 4.088 11.736 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.118 2.580 10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.797 3.574 11.526 1.00 0.00 H new ATOM 256 N THR A 21 -3.629 4.747 9.420 1.00 0.00 N ATOM 257 CA THR A 21 -2.300 4.813 10.015 1.00 0.00 C ATOM 258 C THR A 21 -1.752 6.235 9.979 1.00 0.00 C ATOM 259 O THR A 21 -2.027 6.993 9.049 1.00 0.00 O ATOM 260 CB THR A 21 -1.314 3.876 9.292 1.00 0.00 C ATOM 261 OG1 THR A 21 0.004 4.049 9.823 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.304 4.151 7.796 1.00 0.00 C ATOM 0 H THR A 21 -3.944 5.619 8.994 1.00 0.00 H new ATOM 0 HA THR A 21 -2.401 4.492 11.052 1.00 0.00 H new ATOM 0 HB THR A 21 -1.638 2.848 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.625 3.449 9.360 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.600 3.477 7.307 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.303 3.990 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.002 5.183 7.618 1.00 0.00 H new ATOM 270 N MET A 22 -0.975 6.590 10.997 1.00 0.00 N ATOM 271 CA MET A 22 -0.386 7.922 11.080 1.00 0.00 C ATOM 272 C MET A 22 1.024 7.930 10.498 1.00 0.00 C ATOM 273 O MET A 22 1.960 8.431 11.120 1.00 0.00 O ATOM 274 CB MET A 22 -0.353 8.398 12.533 1.00 0.00 C ATOM 275 CG MET A 22 -1.672 8.982 13.011 1.00 0.00 C ATOM 276 SD MET A 22 -1.937 8.743 14.779 1.00 0.00 S ATOM 277 CE MET A 22 -2.956 10.165 15.164 1.00 0.00 C ATOM 0 H MET A 22 -0.739 5.975 11.775 1.00 0.00 H new ATOM 0 HA MET A 22 -1.005 8.603 10.496 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.082 7.560 13.175 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.429 9.150 12.643 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.696 10.048 12.785 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.491 8.520 12.459 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.204 10.158 16.225 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.411 11.078 14.925 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.873 10.125 14.577 1.00 0.00 H new ATOM 287 N ALA A 23 1.169 7.371 9.301 1.00 0.00 N ATOM 288 CA ALA A 23 2.464 7.316 8.634 1.00 0.00 C ATOM 289 C ALA A 23 2.325 7.587 7.140 1.00 0.00 C ATOM 290 O ALA A 23 1.744 6.789 6.406 1.00 0.00 O ATOM 291 CB ALA A 23 3.120 5.963 8.868 1.00 0.00 C ATOM 0 H ALA A 23 0.405 6.949 8.773 1.00 0.00 H new ATOM 0 HA ALA A 23 3.098 8.094 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.086 5.935 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.263 5.808 9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.481 5.175 8.470 1.00 0.00 H new ATOM 297 N ASN A 24 2.861 8.719 6.697 1.00 0.00 N ATOM 298 CA ASN A 24 2.796 9.097 5.290 1.00 0.00 C ATOM 299 C ASN A 24 3.380 8.000 4.405 1.00 0.00 C ATOM 300 O ASN A 24 2.770 7.596 3.415 1.00 0.00 O ATOM 301 CB ASN A 24 3.545 10.410 5.057 1.00 0.00 C ATOM 302 CG ASN A 24 2.852 11.594 5.702 1.00 0.00 C ATOM 303 OD1 ASN A 24 3.148 11.956 6.841 1.00 0.00 O ATOM 304 ND2 ASN A 24 1.923 12.204 4.975 1.00 0.00 N ATOM 0 H ASN A 24 3.345 9.391 7.292 1.00 0.00 H new ATOM 0 HA ASN A 24 1.748 9.234 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.556 10.324 5.455 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.638 10.587 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.423 13.007 5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.710 11.870 4.035 1.00 0.00 H new ATOM 311 N ARG A 25 4.566 7.523 4.769 1.00 0.00 N ATOM 312 CA ARG A 25 5.234 6.474 4.008 1.00 0.00 C ATOM 313 C ARG A 25 4.303 5.284 3.790 1.00 0.00 C ATOM 314 O ARG A 25 4.190 4.769 2.678 1.00 0.00 O ATOM 315 CB ARG A 25 6.501 6.017 4.732 1.00 0.00 C ATOM 316 CG ARG A 25 7.458 7.152 5.060 1.00 0.00 C ATOM 317 CD ARG A 25 8.571 6.692 5.989 1.00 0.00 C ATOM 318 NE ARG A 25 8.048 6.049 7.192 1.00 0.00 N ATOM 319 CZ ARG A 25 8.813 5.438 8.090 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.128 5.388 7.922 1.00 0.00 N ATOM 321 NH2 ARG A 25 8.264 4.876 9.159 1.00 0.00 N ATOM 0 H ARG A 25 5.084 7.846 5.586 1.00 0.00 H new ATOM 0 HA ARG A 25 5.507 6.883 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.219 5.512 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.019 5.284 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.890 7.543 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.908 7.970 5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.221 5.996 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.184 7.548 6.272 1.00 0.00 H new ATOM 0 HE ARG A 25 7.041 6.070 7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.554 5.819 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.713 4.918 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.253 4.913 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.853 4.407 9.848 1.00 0.00 H new ATOM 335 N GLU A 26 3.640 4.854 4.859 1.00 0.00 N ATOM 336 CA GLU A 26 2.721 3.725 4.783 1.00 0.00 C ATOM 337 C GLU A 26 1.532 4.050 3.885 1.00 0.00 C ATOM 338 O GLU A 26 0.960 5.139 3.963 1.00 0.00 O ATOM 339 CB GLU A 26 2.229 3.345 6.181 1.00 0.00 C ATOM 340 CG GLU A 26 1.787 1.895 6.298 1.00 0.00 C ATOM 341 CD GLU A 26 2.933 0.962 6.637 1.00 0.00 C ATOM 342 OE1 GLU A 26 4.076 1.251 6.222 1.00 0.00 O ATOM 343 OE2 GLU A 26 2.689 -0.057 7.316 1.00 0.00 O ATOM 0 H GLU A 26 3.722 5.270 5.787 1.00 0.00 H new ATOM 0 HA GLU A 26 3.259 2.880 4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.026 3.532 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.396 3.993 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.018 1.814 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.333 1.580 5.358 1.00 0.00 H new ATOM 350 N LEU A 27 1.165 3.101 3.032 1.00 0.00 N ATOM 351 CA LEU A 27 0.044 3.285 2.117 1.00 0.00 C ATOM 352 C LEU A 27 -1.287 3.142 2.850 1.00 0.00 C ATOM 353 O LEU A 27 -1.694 2.037 3.207 1.00 0.00 O ATOM 354 CB LEU A 27 0.120 2.272 0.973 1.00 0.00 C ATOM 355 CG LEU A 27 -0.468 2.723 -0.364 1.00 0.00 C ATOM 356 CD1 LEU A 27 0.099 1.891 -1.504 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.987 2.630 -0.337 1.00 0.00 C ATOM 0 H LEU A 27 1.628 2.195 2.955 1.00 0.00 H new ATOM 0 HA LEU A 27 0.106 4.293 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.166 2.009 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.394 1.363 1.285 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.191 3.764 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.331 2.226 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.182 2.009 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.147 0.841 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.389 2.955 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.285 1.598 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.377 3.270 0.455 1.00 0.00 H new ATOM 369 N ALA A 28 -1.959 4.267 3.068 1.00 0.00 N ATOM 370 CA ALA A 28 -3.246 4.267 3.754 1.00 0.00 C ATOM 371 C ALA A 28 -4.400 4.281 2.758 1.00 0.00 C ATOM 372 O ALA A 28 -4.230 4.669 1.602 1.00 0.00 O ATOM 373 CB ALA A 28 -3.343 5.460 4.694 1.00 0.00 C ATOM 0 H ALA A 28 -1.634 5.190 2.780 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.317 3.350 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.309 5.447 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.545 5.405 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.245 6.383 4.122 1.00 0.00 H new ATOM 379 N PHE A 29 -5.573 3.853 3.212 1.00 0.00 N ATOM 380 CA PHE A 29 -6.755 3.815 2.359 1.00 0.00 C ATOM 381 C PHE A 29 -7.996 3.445 3.166 1.00 0.00 C ATOM 382 O PHE A 29 -7.926 3.248 4.380 1.00 0.00 O ATOM 383 CB PHE A 29 -6.556 2.812 1.221 1.00 0.00 C ATOM 384 CG PHE A 29 -5.870 1.547 1.649 1.00 0.00 C ATOM 385 CD1 PHE A 29 -4.489 1.443 1.603 1.00 0.00 C ATOM 386 CD2 PHE A 29 -6.605 0.462 2.097 1.00 0.00 C ATOM 387 CE1 PHE A 29 -3.854 0.280 1.997 1.00 0.00 C ATOM 388 CE2 PHE A 29 -5.976 -0.703 2.493 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.599 -0.795 2.441 1.00 0.00 C ATOM 0 H PHE A 29 -5.731 3.528 4.166 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.900 4.809 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.527 2.562 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.972 3.283 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.902 2.280 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.682 0.527 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.777 0.212 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.561 -1.541 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.106 -1.706 2.747 1.00 0.00 H new ATOM 399 N LYS A 30 -9.133 3.353 2.484 1.00 0.00 N ATOM 400 CA LYS A 30 -10.391 3.007 3.135 1.00 0.00 C ATOM 401 C LYS A 30 -11.127 1.923 2.354 1.00 0.00 C ATOM 402 O LYS A 30 -11.089 1.897 1.124 1.00 0.00 O ATOM 403 CB LYS A 30 -11.278 4.247 3.267 1.00 0.00 C ATOM 404 CG LYS A 30 -10.738 5.280 4.241 1.00 0.00 C ATOM 405 CD LYS A 30 -11.824 6.244 4.690 1.00 0.00 C ATOM 406 CE LYS A 30 -11.277 7.295 5.644 1.00 0.00 C ATOM 407 NZ LYS A 30 -12.364 8.099 6.267 1.00 0.00 N ATOM 0 H LYS A 30 -9.209 3.513 1.480 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.164 2.623 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.391 4.709 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.272 3.939 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.315 4.776 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.928 5.837 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.260 6.733 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.625 5.689 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.693 6.808 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.599 7.957 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.950 8.804 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.906 8.585 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.997 7.471 6.803 1.00 0.00 H new ATOM 421 N ALA A 31 -11.797 1.031 3.077 1.00 0.00 N ATOM 422 CA ALA A 31 -12.544 -0.052 2.451 1.00 0.00 C ATOM 423 C ALA A 31 -13.176 0.402 1.140 1.00 0.00 C ATOM 424 O ALA A 31 -13.883 1.408 1.096 1.00 0.00 O ATOM 425 CB ALA A 31 -13.612 -0.574 3.401 1.00 0.00 C ATOM 0 H ALA A 31 -11.837 1.038 4.096 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.846 -0.859 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.163 -1.383 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.140 -0.946 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.300 0.233 3.654 1.00 0.00 H new ATOM 431 N GLY A 32 -12.915 -0.346 0.072 1.00 0.00 N ATOM 432 CA GLY A 32 -13.466 -0.004 -1.226 1.00 0.00 C ATOM 433 C GLY A 32 -12.395 0.392 -2.224 1.00 0.00 C ATOM 434 O GLY A 32 -12.490 0.069 -3.408 1.00 0.00 O ATOM 0 H GLY A 32 -12.332 -1.183 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.025 -0.855 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.174 0.817 -1.112 1.00 0.00 H new ATOM 438 N ASP A 33 -11.375 1.096 -1.745 1.00 0.00 N ATOM 439 CA ASP A 33 -10.281 1.537 -2.604 1.00 0.00 C ATOM 440 C ASP A 33 -9.520 0.343 -3.171 1.00 0.00 C ATOM 441 O ASP A 33 -9.366 -0.681 -2.506 1.00 0.00 O ATOM 442 CB ASP A 33 -9.327 2.444 -1.825 1.00 0.00 C ATOM 443 CG ASP A 33 -9.936 3.797 -1.517 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.146 4.582 -2.465 1.00 0.00 O ATOM 445 OD2 ASP A 33 -10.202 4.072 -0.328 1.00 0.00 O ATOM 0 H ASP A 33 -11.283 1.373 -0.768 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.707 2.100 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.046 1.955 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.412 2.583 -2.401 1.00 0.00 H new ATOM 450 N VAL A 34 -9.045 0.482 -4.404 1.00 0.00 N ATOM 451 CA VAL A 34 -8.299 -0.584 -5.061 1.00 0.00 C ATOM 452 C VAL A 34 -6.827 -0.215 -5.211 1.00 0.00 C ATOM 453 O VAL A 34 -6.494 0.922 -5.547 1.00 0.00 O ATOM 454 CB VAL A 34 -8.881 -0.902 -6.452 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.096 -2.024 -7.115 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.354 -1.264 -6.342 1.00 0.00 C ATOM 0 H VAL A 34 -9.164 1.323 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.386 -1.467 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.794 -0.012 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.521 -2.235 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.055 -1.722 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.149 -2.920 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.749 -1.486 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.467 -2.139 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.903 -0.427 -5.911 1.00 0.00 H new ATOM 466 N ILE A 35 -5.951 -1.182 -4.960 1.00 0.00 N ATOM 467 CA ILE A 35 -4.515 -0.958 -5.068 1.00 0.00 C ATOM 468 C ILE A 35 -3.899 -1.853 -6.138 1.00 0.00 C ATOM 469 O ILE A 35 -4.225 -3.036 -6.237 1.00 0.00 O ATOM 470 CB ILE A 35 -3.803 -1.214 -3.727 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.308 -0.239 -2.662 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.296 -1.089 -3.895 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.561 -0.711 -1.957 1.00 0.00 C ATOM 0 H ILE A 35 -6.211 -2.128 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.378 0.086 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.030 -2.229 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.522 -0.082 -1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.505 0.726 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.807 -1.273 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.950 -1.820 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.051 -0.085 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.862 0.029 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.361 -0.841 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.363 -1.661 -1.461 1.00 0.00 H new ATOM 485 N LYS A 36 -3.003 -1.282 -6.936 1.00 0.00 N ATOM 486 CA LYS A 36 -2.337 -2.027 -7.997 1.00 0.00 C ATOM 487 C LYS A 36 -0.945 -2.472 -7.558 1.00 0.00 C ATOM 488 O LYS A 36 -0.003 -1.680 -7.549 1.00 0.00 O ATOM 489 CB LYS A 36 -2.235 -1.173 -9.262 1.00 0.00 C ATOM 490 CG LYS A 36 -1.801 -1.954 -10.490 1.00 0.00 C ATOM 491 CD LYS A 36 -2.383 -1.361 -11.763 1.00 0.00 C ATOM 492 CE LYS A 36 -1.564 -0.176 -12.251 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.366 -0.610 -13.023 1.00 0.00 N ATOM 0 H LYS A 36 -2.721 -0.304 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.932 -2.914 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.203 -0.712 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.526 -0.363 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.713 -1.958 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.118 -2.992 -10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.417 -2.125 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.410 -1.045 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.187 0.463 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.248 0.424 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.480 -0.138 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.254 -1.641 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.487 -0.354 -14.024 1.00 0.00 H new ATOM 507 N VAL A 37 -0.823 -3.745 -7.195 1.00 0.00 N ATOM 508 CA VAL A 37 0.454 -4.296 -6.758 1.00 0.00 C ATOM 509 C VAL A 37 1.505 -4.188 -7.857 1.00 0.00 C ATOM 510 O VAL A 37 1.268 -4.587 -8.999 1.00 0.00 O ATOM 511 CB VAL A 37 0.315 -5.772 -6.340 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.521 -6.212 -5.525 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.973 -5.985 -5.559 1.00 0.00 C ATOM 0 H VAL A 37 -1.593 -4.414 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 37 0.772 -3.710 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 37 0.273 -6.384 -7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.405 -7.257 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.425 -6.098 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.598 -5.597 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.055 -7.033 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.963 -5.363 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.825 -5.712 -6.181 1.00 0.00 H new ATOM 523 N LEU A 38 2.666 -3.647 -7.507 1.00 0.00 N ATOM 524 CA LEU A 38 3.755 -3.486 -8.464 1.00 0.00 C ATOM 525 C LEU A 38 4.772 -4.615 -8.327 1.00 0.00 C ATOM 526 O LEU A 38 5.163 -5.235 -9.316 1.00 0.00 O ATOM 527 CB LEU A 38 4.445 -2.136 -8.260 1.00 0.00 C ATOM 528 CG LEU A 38 3.535 -0.907 -8.277 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.314 0.340 -7.891 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.896 -0.737 -9.648 1.00 0.00 C ATOM 0 H LEU A 38 2.878 -3.312 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 38 3.331 -3.523 -9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.971 -2.160 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.200 -2.015 -9.037 1.00 0.00 H new ATOM 0 HG LEU A 38 2.742 -1.055 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.650 1.204 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.723 0.217 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.128 0.494 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.252 0.142 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.675 -0.611 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.303 -1.620 -9.885 1.00 0.00 H new ATOM 542 N ASP A 39 5.193 -4.878 -7.095 1.00 0.00 N ATOM 543 CA ASP A 39 6.162 -5.935 -6.828 1.00 0.00 C ATOM 544 C ASP A 39 5.828 -6.662 -5.528 1.00 0.00 C ATOM 545 O ASP A 39 5.439 -6.040 -4.540 1.00 0.00 O ATOM 546 CB ASP A 39 7.575 -5.355 -6.753 1.00 0.00 C ATOM 547 CG ASP A 39 8.562 -6.313 -6.117 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.636 -6.346 -4.871 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.260 -7.030 -6.864 1.00 0.00 O ATOM 0 H ASP A 39 4.879 -4.374 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 39 6.115 -6.652 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.914 -5.102 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.554 -4.427 -6.181 1.00 0.00 H new ATOM 554 N ALA A 40 5.982 -7.982 -5.539 1.00 0.00 N ATOM 555 CA ALA A 40 5.698 -8.793 -4.361 1.00 0.00 C ATOM 556 C ALA A 40 6.861 -9.728 -4.045 1.00 0.00 C ATOM 557 O ALA A 40 6.821 -10.915 -4.368 1.00 0.00 O ATOM 558 CB ALA A 40 4.418 -9.590 -4.566 1.00 0.00 C ATOM 0 H ALA A 40 6.302 -8.512 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 40 5.564 -8.123 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.218 -10.191 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.587 -8.906 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.532 -10.245 -5.430 1.00 0.00 H new ATOM 564 N SER A 41 7.895 -9.184 -3.412 1.00 0.00 N ATOM 565 CA SER A 41 9.072 -9.969 -3.056 1.00 0.00 C ATOM 566 C SER A 41 8.881 -10.653 -1.706 1.00 0.00 C ATOM 567 O SER A 41 8.977 -11.874 -1.597 1.00 0.00 O ATOM 568 CB SER A 41 10.314 -9.076 -3.017 1.00 0.00 C ATOM 569 OG SER A 41 11.425 -9.772 -2.480 1.00 0.00 O ATOM 0 H SER A 41 7.942 -8.203 -3.135 1.00 0.00 H new ATOM 0 HA SER A 41 9.209 -10.737 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.549 -8.730 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.110 -8.190 -2.415 1.00 0.00 H new ATOM 0 HG SER A 41 12.206 -9.181 -2.467 1.00 0.00 H new ATOM 575 N ASN A 42 8.609 -9.854 -0.679 1.00 0.00 N ATOM 576 CA ASN A 42 8.404 -10.381 0.666 1.00 0.00 C ATOM 577 C ASN A 42 7.260 -11.390 0.686 1.00 0.00 C ATOM 578 O ASN A 42 6.693 -11.724 -0.354 1.00 0.00 O ATOM 579 CB ASN A 42 8.112 -9.242 1.644 1.00 0.00 C ATOM 580 CG ASN A 42 9.174 -8.159 1.604 1.00 0.00 C ATOM 581 OD1 ASN A 42 10.001 -8.119 0.693 1.00 0.00 O ATOM 582 ND2 ASN A 42 9.155 -7.275 2.595 1.00 0.00 N ATOM 0 H ASN A 42 8.525 -8.840 -0.752 1.00 0.00 H new ATOM 0 HA ASN A 42 9.318 -10.889 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.142 -8.805 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.044 -9.643 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.845 -6.524 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.451 -7.347 3.329 1.00 0.00 H new ATOM 589 N LYS A 43 6.925 -11.872 1.878 1.00 0.00 N ATOM 590 CA LYS A 43 5.847 -12.841 2.037 1.00 0.00 C ATOM 591 C LYS A 43 4.490 -12.145 2.067 1.00 0.00 C ATOM 592 O LYS A 43 3.633 -12.398 1.220 1.00 0.00 O ATOM 593 CB LYS A 43 6.046 -13.651 3.320 1.00 0.00 C ATOM 594 CG LYS A 43 6.867 -14.913 3.122 1.00 0.00 C ATOM 595 CD LYS A 43 7.607 -15.302 4.391 1.00 0.00 C ATOM 596 CE LYS A 43 6.701 -16.051 5.357 1.00 0.00 C ATOM 597 NZ LYS A 43 5.972 -15.125 6.266 1.00 0.00 N ATOM 0 H LYS A 43 7.385 -11.607 2.749 1.00 0.00 H new ATOM 0 HA LYS A 43 5.870 -13.516 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.535 -13.023 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.070 -13.922 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.213 -15.730 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.583 -14.759 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.464 -15.925 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.996 -14.407 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.983 -16.646 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.297 -16.746 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.272 -15.295 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.186 -14.142 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.949 -15.291 6.183 1.00 0.00 H new ATOM 611 N ASP A 44 4.302 -11.268 3.047 1.00 0.00 N ATOM 612 CA ASP A 44 3.050 -10.533 3.186 1.00 0.00 C ATOM 613 C ASP A 44 3.300 -9.029 3.194 1.00 0.00 C ATOM 614 O ASP A 44 2.674 -8.290 3.954 1.00 0.00 O ATOM 615 CB ASP A 44 2.329 -10.950 4.468 1.00 0.00 C ATOM 616 CG ASP A 44 2.442 -12.438 4.739 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.261 -13.229 3.790 1.00 0.00 O ATOM 618 OD2 ASP A 44 2.713 -12.810 5.899 1.00 0.00 O ATOM 0 H ASP A 44 5.001 -11.049 3.757 1.00 0.00 H new ATOM 0 HA ASP A 44 2.420 -10.773 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.744 -10.398 5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.277 -10.676 4.395 1.00 0.00 H new ATOM 623 N TRP A 45 4.220 -8.582 2.346 1.00 0.00 N ATOM 624 CA TRP A 45 4.554 -7.166 2.257 1.00 0.00 C ATOM 625 C TRP A 45 4.869 -6.770 0.818 1.00 0.00 C ATOM 626 O TRP A 45 5.930 -7.106 0.291 1.00 0.00 O ATOM 627 CB TRP A 45 5.745 -6.844 3.160 1.00 0.00 C ATOM 628 CG TRP A 45 5.348 -6.475 4.558 1.00 0.00 C ATOM 629 CD1 TRP A 45 5.828 -7.017 5.716 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.388 -5.485 4.943 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.224 -6.423 6.798 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.337 -5.479 6.351 1.00 0.00 C ATOM 633 CE3 TRP A 45 3.568 -4.601 4.236 1.00 0.00 C ATOM 634 CZ2 TRP A 45 3.498 -4.626 7.062 1.00 0.00 C ATOM 635 CZ3 TRP A 45 2.736 -3.755 4.943 1.00 0.00 C ATOM 636 CH2 TRP A 45 2.706 -3.771 6.344 1.00 0.00 C ATOM 0 H TRP A 45 4.748 -9.180 1.710 1.00 0.00 H new ATOM 0 HA TRP A 45 3.689 -6.593 2.591 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.409 -7.707 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.312 -6.023 2.722 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.572 -7.797 5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.406 -6.648 7.776 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.585 -4.580 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.473 -4.638 8.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.097 -3.069 4.407 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.045 -3.096 6.867 1.00 0.00 H new ATOM 647 N TRP A 46 3.943 -6.055 0.190 1.00 0.00 N ATOM 648 CA TRP A 46 4.124 -5.614 -1.189 1.00 0.00 C ATOM 649 C TRP A 46 3.804 -4.130 -1.332 1.00 0.00 C ATOM 650 O TRP A 46 3.047 -3.570 -0.539 1.00 0.00 O ATOM 651 CB TRP A 46 3.238 -6.433 -2.129 1.00 0.00 C ATOM 652 CG TRP A 46 3.144 -7.879 -1.747 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.177 -8.705 -1.404 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.954 -8.671 -1.672 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.700 -9.962 -1.120 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.339 -9.967 -1.277 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.599 -8.410 -1.899 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.418 -10.997 -1.105 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.313 -9.434 -1.728 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.099 -10.714 -1.334 1.00 0.00 C ATOM 0 H TRP A 46 3.060 -5.768 0.613 1.00 0.00 H new ATOM 0 HA TRP A 46 5.168 -5.769 -1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.237 -6.002 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.629 -6.357 -3.143 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.216 -8.413 -1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.267 -10.762 -0.838 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.271 -7.427 -2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.734 -11.984 -0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.362 -9.244 -1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.639 -11.492 -1.209 1.00 0.00 H new ATOM 671 N TRP A 47 4.384 -3.500 -2.346 1.00 0.00 N ATOM 672 CA TRP A 47 4.159 -2.080 -2.592 1.00 0.00 C ATOM 673 C TRP A 47 2.835 -1.855 -3.314 1.00 0.00 C ATOM 674 O TRP A 47 2.466 -2.619 -4.205 1.00 0.00 O ATOM 675 CB TRP A 47 5.309 -1.495 -3.416 1.00 0.00 C ATOM 676 CG TRP A 47 5.138 -0.039 -3.724 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.455 0.501 -4.776 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.660 1.063 -2.974 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.522 1.873 -4.726 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.255 2.243 -3.629 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.429 1.169 -1.812 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.594 3.509 -3.160 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.766 2.426 -1.348 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.348 3.582 -2.020 1.00 0.00 C ATOM 0 H TRP A 47 5.013 -3.949 -3.011 1.00 0.00 H new ATOM 0 HA TRP A 47 4.117 -1.573 -1.628 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.244 -1.637 -2.874 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.395 -2.049 -4.351 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.938 -0.067 -5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.095 2.512 -5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.754 0.284 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.274 4.401 -3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.362 2.519 -0.452 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.626 4.550 -1.631 1.00 0.00 H new ATOM 695 N GLY A 48 2.124 -0.801 -2.924 1.00 0.00 N ATOM 696 CA GLY A 48 0.849 -0.496 -3.545 1.00 0.00 C ATOM 697 C GLY A 48 0.893 0.779 -4.364 1.00 0.00 C ATOM 698 O GLY A 48 1.583 1.732 -4.003 1.00 0.00 O ATOM 0 H GLY A 48 2.409 -0.153 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.553 -1.326 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.086 -0.402 -2.773 1.00 0.00 H new ATOM 702 N GLN A 49 0.158 0.795 -5.471 1.00 0.00 N ATOM 703 CA GLN A 49 0.119 1.962 -6.345 1.00 0.00 C ATOM 704 C GLN A 49 -1.318 2.408 -6.593 1.00 0.00 C ATOM 705 O GLN A 49 -2.106 1.687 -7.206 1.00 0.00 O ATOM 706 CB GLN A 49 0.806 1.652 -7.676 1.00 0.00 C ATOM 707 CG GLN A 49 0.393 2.582 -8.805 1.00 0.00 C ATOM 708 CD GLN A 49 1.099 2.267 -10.109 1.00 0.00 C ATOM 709 OE1 GLN A 49 0.624 1.459 -10.907 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.242 2.906 -10.332 1.00 0.00 N ATOM 0 H GLN A 49 -0.418 0.014 -5.784 1.00 0.00 H new ATOM 0 HA GLN A 49 0.652 2.774 -5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.886 1.715 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.580 0.625 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.685 2.511 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.608 3.612 -8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.599 3.568 -9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.762 2.735 -11.192 1.00 0.00 H new ATOM 719 N ILE A 50 -1.653 3.601 -6.111 1.00 0.00 N ATOM 720 CA ILE A 50 -2.995 4.143 -6.282 1.00 0.00 C ATOM 721 C ILE A 50 -2.976 5.394 -7.153 1.00 0.00 C ATOM 722 O ILE A 50 -1.964 6.089 -7.237 1.00 0.00 O ATOM 723 CB ILE A 50 -3.640 4.486 -4.926 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.633 3.261 -4.009 1.00 0.00 C ATOM 725 CG2 ILE A 50 -5.060 4.994 -5.128 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.464 3.438 -2.757 1.00 0.00 C ATOM 0 H ILE A 50 -1.014 4.210 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.587 3.370 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.056 5.275 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.006 2.400 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.605 3.036 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.502 5.232 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.041 5.890 -5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.655 4.224 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.413 2.531 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.078 4.279 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.501 3.632 -3.033 1.00 0.00 H new ATOM 738 N ASP A 51 -4.103 5.675 -7.799 1.00 0.00 N ATOM 739 CA ASP A 51 -4.217 6.845 -8.663 1.00 0.00 C ATOM 740 C ASP A 51 -3.361 7.994 -8.138 1.00 0.00 C ATOM 741 O ASP A 51 -2.551 8.562 -8.871 1.00 0.00 O ATOM 742 CB ASP A 51 -5.677 7.287 -8.768 1.00 0.00 C ATOM 743 CG ASP A 51 -6.523 6.308 -9.558 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.593 5.128 -9.158 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.114 6.723 -10.577 1.00 0.00 O ATOM 0 H ASP A 51 -4.950 5.109 -7.741 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.856 6.571 -9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.093 7.397 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.724 8.268 -9.242 1.00 0.00 H new ATOM 750 N ASP A 52 -3.547 8.330 -6.867 1.00 0.00 N ATOM 751 CA ASP A 52 -2.792 9.411 -6.244 1.00 0.00 C ATOM 752 C ASP A 52 -1.990 8.897 -5.053 1.00 0.00 C ATOM 753 O ASP A 52 -0.858 9.324 -4.824 1.00 0.00 O ATOM 754 CB ASP A 52 -3.736 10.528 -5.795 1.00 0.00 C ATOM 755 CG ASP A 52 -3.058 11.524 -4.875 1.00 0.00 C ATOM 756 OD1 ASP A 52 -2.764 11.157 -3.718 1.00 0.00 O ATOM 757 OD2 ASP A 52 -2.822 12.671 -5.310 1.00 0.00 O ATOM 0 H ASP A 52 -4.214 7.870 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.097 9.809 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.119 11.050 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.594 10.091 -5.284 1.00 0.00 H new ATOM 762 N GLU A 53 -2.584 7.980 -4.296 1.00 0.00 N ATOM 763 CA GLU A 53 -1.925 7.410 -3.127 1.00 0.00 C ATOM 764 C GLU A 53 -0.811 6.453 -3.544 1.00 0.00 C ATOM 765 O GLU A 53 -0.925 5.752 -4.548 1.00 0.00 O ATOM 766 CB GLU A 53 -2.940 6.677 -2.248 1.00 0.00 C ATOM 767 CG GLU A 53 -3.575 7.559 -1.187 1.00 0.00 C ATOM 768 CD GLU A 53 -4.600 6.818 -0.350 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.205 5.857 -0.868 1.00 0.00 O ATOM 770 OE2 GLU A 53 -4.797 7.200 0.823 1.00 0.00 O ATOM 0 H GLU A 53 -3.521 7.616 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.484 8.227 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.725 6.263 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.446 5.836 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.796 7.955 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.053 8.413 -1.668 1.00 0.00 H new ATOM 777 N GLU A 54 0.265 6.432 -2.763 1.00 0.00 N ATOM 778 CA GLU A 54 1.400 5.563 -3.052 1.00 0.00 C ATOM 779 C GLU A 54 2.129 5.175 -1.768 1.00 0.00 C ATOM 780 O GLU A 54 2.202 5.959 -0.822 1.00 0.00 O ATOM 781 CB GLU A 54 2.369 6.254 -4.013 1.00 0.00 C ATOM 782 CG GLU A 54 2.067 5.989 -5.478 1.00 0.00 C ATOM 783 CD GLU A 54 2.718 4.718 -5.988 1.00 0.00 C ATOM 784 OE1 GLU A 54 2.849 3.760 -5.198 1.00 0.00 O ATOM 785 OE2 GLU A 54 3.097 4.683 -7.177 1.00 0.00 O ATOM 0 H GLU A 54 0.374 7.006 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 54 1.020 4.656 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.340 7.329 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.384 5.921 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.988 5.920 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.412 6.834 -6.075 1.00 0.00 H new ATOM 792 N GLY A 55 2.666 3.960 -1.744 1.00 0.00 N ATOM 793 CA GLY A 55 3.382 3.488 -0.572 1.00 0.00 C ATOM 794 C GLY A 55 3.255 1.990 -0.379 1.00 0.00 C ATOM 795 O GLY A 55 2.982 1.256 -1.329 1.00 0.00 O ATOM 0 H GLY A 55 2.619 3.293 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.436 3.751 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.001 3.999 0.313 1.00 0.00 H new ATOM 799 N TRP A 56 3.456 1.535 0.852 1.00 0.00 N ATOM 800 CA TRP A 56 3.365 0.113 1.165 1.00 0.00 C ATOM 801 C TRP A 56 2.005 -0.226 1.766 1.00 0.00 C ATOM 802 O TRP A 56 1.573 0.396 2.737 1.00 0.00 O ATOM 803 CB TRP A 56 4.479 -0.289 2.133 1.00 0.00 C ATOM 804 CG TRP A 56 5.748 0.483 1.933 1.00 0.00 C ATOM 805 CD1 TRP A 56 5.970 1.792 2.253 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.968 -0.006 1.365 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.254 2.146 1.918 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.888 1.061 1.373 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.374 -1.241 0.853 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.186 0.928 0.888 1.00 0.00 C ATOM 811 CZ3 TRP A 56 8.662 -1.371 0.372 1.00 0.00 C ATOM 812 CH2 TRP A 56 9.556 -0.292 0.392 1.00 0.00 C ATOM 0 H TRP A 56 3.683 2.129 1.649 1.00 0.00 H new ATOM 0 HA TRP A 56 3.481 -0.446 0.237 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.131 -0.144 3.156 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.687 -1.352 2.015 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.243 2.452 2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.669 3.068 2.053 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.693 -2.079 0.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.876 1.758 0.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.986 -2.321 -0.027 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.557 -0.426 0.008 1.00 0.00 H new ATOM 823 N PHE A 57 1.336 -1.215 1.184 1.00 0.00 N ATOM 824 CA PHE A 57 0.024 -1.635 1.663 1.00 0.00 C ATOM 825 C PHE A 57 0.055 -3.088 2.128 1.00 0.00 C ATOM 826 O PHE A 57 0.738 -3.936 1.554 1.00 0.00 O ATOM 827 CB PHE A 57 -1.024 -1.463 0.561 1.00 0.00 C ATOM 828 CG PHE A 57 -1.069 -2.611 -0.407 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.010 -2.850 -1.268 1.00 0.00 C ATOM 830 CD2 PHE A 57 -2.170 -3.450 -0.456 1.00 0.00 C ATOM 831 CE1 PHE A 57 -0.050 -3.905 -2.161 1.00 0.00 C ATOM 832 CE2 PHE A 57 -2.215 -4.507 -1.346 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.153 -4.735 -2.199 1.00 0.00 C ATOM 0 H PHE A 57 1.680 -1.741 0.380 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.244 -1.005 2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.006 -1.346 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.816 -0.544 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.856 -2.205 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.003 -3.276 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.781 -4.080 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.080 -5.154 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.185 -5.561 -2.894 1.00 0.00 H new ATOM 843 N PRO A 58 -0.702 -3.383 3.196 1.00 0.00 N ATOM 844 CA PRO A 58 -0.779 -4.732 3.763 1.00 0.00 C ATOM 845 C PRO A 58 -1.516 -5.705 2.849 1.00 0.00 C ATOM 846 O PRO A 58 -2.577 -5.385 2.313 1.00 0.00 O ATOM 847 CB PRO A 58 -1.558 -4.526 5.064 1.00 0.00 C ATOM 848 CG PRO A 58 -2.369 -3.298 4.830 1.00 0.00 C ATOM 849 CD PRO A 58 -1.542 -2.422 3.930 1.00 0.00 C ATOM 0 HA PRO A 58 0.209 -5.170 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.193 -5.384 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.885 -4.400 5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.324 -3.544 4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.592 -2.792 5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.166 -1.837 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.939 -1.715 4.500 1.00 0.00 H new ATOM 857 N ALA A 59 -0.948 -6.893 2.675 1.00 0.00 N ATOM 858 CA ALA A 59 -1.553 -7.913 1.827 1.00 0.00 C ATOM 859 C ALA A 59 -2.583 -8.729 2.601 1.00 0.00 C ATOM 860 O ALA A 59 -3.569 -9.200 2.034 1.00 0.00 O ATOM 861 CB ALA A 59 -0.480 -8.824 1.249 1.00 0.00 C ATOM 0 H ALA A 59 -0.069 -7.173 3.110 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.067 -7.411 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.946 -9.581 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.216 -8.234 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.060 -9.311 2.061 1.00 0.00 H new ATOM 867 N SER A 60 -2.346 -8.895 3.898 1.00 0.00 N ATOM 868 CA SER A 60 -3.251 -9.659 4.748 1.00 0.00 C ATOM 869 C SER A 60 -4.504 -8.851 5.074 1.00 0.00 C ATOM 870 O SER A 60 -5.370 -9.301 5.824 1.00 0.00 O ATOM 871 CB SER A 60 -2.545 -10.069 6.042 1.00 0.00 C ATOM 872 OG SER A 60 -3.161 -11.207 6.621 1.00 0.00 O ATOM 0 H SER A 60 -1.535 -8.511 4.383 1.00 0.00 H new ATOM 0 HA SER A 60 -3.549 -10.556 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.497 -10.285 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.566 -9.240 6.750 1.00 0.00 H new ATOM 0 HG SER A 60 -4.133 -11.082 6.633 1.00 0.00 H new ATOM 878 N PHE A 61 -4.593 -7.654 4.502 1.00 0.00 N ATOM 879 CA PHE A 61 -5.738 -6.781 4.731 1.00 0.00 C ATOM 880 C PHE A 61 -6.496 -6.526 3.432 1.00 0.00 C ATOM 881 O PHE A 61 -7.497 -5.810 3.414 1.00 0.00 O ATOM 882 CB PHE A 61 -5.280 -5.452 5.337 1.00 0.00 C ATOM 883 CG PHE A 61 -5.249 -5.457 6.838 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.404 -6.315 7.524 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.063 -4.603 7.564 1.00 0.00 C ATOM 886 CE1 PHE A 61 -4.374 -6.321 8.906 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.037 -4.604 8.946 1.00 0.00 C ATOM 888 CZ PHE A 61 -5.190 -5.464 9.617 1.00 0.00 C ATOM 0 H PHE A 61 -3.886 -7.267 3.877 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.409 -7.279 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.285 -5.215 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.946 -4.659 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.762 -6.986 6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.726 -3.928 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.713 -6.996 9.429 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.678 -3.934 9.500 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.166 -5.466 10.697 1.00 0.00 H new ATOM 898 N VAL A 62 -6.011 -7.119 2.345 1.00 0.00 N ATOM 899 CA VAL A 62 -6.642 -6.957 1.041 1.00 0.00 C ATOM 900 C VAL A 62 -6.980 -8.309 0.423 1.00 0.00 C ATOM 901 O VAL A 62 -6.392 -9.331 0.779 1.00 0.00 O ATOM 902 CB VAL A 62 -5.736 -6.174 0.072 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.457 -4.780 0.611 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.439 -6.930 -0.172 1.00 0.00 C ATOM 0 H VAL A 62 -5.184 -7.715 2.342 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.561 -6.394 1.202 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.255 -6.072 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.816 -4.242 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.397 -4.241 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.958 -4.857 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.811 -6.363 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.913 -7.065 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.662 -7.905 -0.606 1.00 0.00 H new ATOM 914 N ARG A 63 -7.930 -8.308 -0.507 1.00 0.00 N ATOM 915 CA ARG A 63 -8.347 -9.535 -1.174 1.00 0.00 C ATOM 916 C ARG A 63 -7.866 -9.557 -2.622 1.00 0.00 C ATOM 917 O ARG A 63 -8.333 -8.778 -3.455 1.00 0.00 O ATOM 918 CB ARG A 63 -9.870 -9.674 -1.130 1.00 0.00 C ATOM 919 CG ARG A 63 -10.397 -10.164 0.209 1.00 0.00 C ATOM 920 CD ARG A 63 -10.014 -11.614 0.461 1.00 0.00 C ATOM 921 NE ARG A 63 -10.508 -12.501 -0.588 1.00 0.00 N ATOM 922 CZ ARG A 63 -10.463 -13.827 -0.511 1.00 0.00 C ATOM 923 NH1 ARG A 63 -9.951 -14.415 0.562 1.00 0.00 N ATOM 924 NH2 ARG A 63 -10.933 -14.567 -1.507 1.00 0.00 N ATOM 0 H ARG A 63 -8.425 -7.471 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.897 -10.376 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.322 -8.708 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.186 -10.366 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.001 -9.538 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.482 -10.064 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.929 -11.697 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.414 -11.933 1.423 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.910 -12.080 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.591 -13.849 1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.918 -15.433 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.329 -14.118 -2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.898 -15.585 -1.447 1.00 0.00 H new ATOM 938 N LEU A 64 -6.930 -10.453 -2.916 1.00 0.00 N ATOM 939 CA LEU A 64 -6.384 -10.576 -4.264 1.00 0.00 C ATOM 940 C LEU A 64 -7.476 -10.949 -5.261 1.00 0.00 C ATOM 941 O LEU A 64 -8.403 -11.690 -4.933 1.00 0.00 O ATOM 942 CB LEU A 64 -5.272 -11.626 -4.291 1.00 0.00 C ATOM 943 CG LEU A 64 -3.921 -11.187 -3.725 1.00 0.00 C ATOM 944 CD1 LEU A 64 -2.997 -12.384 -3.563 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.283 -10.135 -4.620 1.00 0.00 C ATOM 0 H LEU A 64 -6.533 -11.105 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.970 -9.610 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.611 -12.499 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.125 -11.944 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.086 -10.745 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.040 -12.053 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.450 -13.103 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.838 -12.855 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.323 -9.835 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.131 -10.549 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.938 -9.266 -4.684 1.00 0.00 H new ATOM 957 N TRP A 65 -7.359 -10.433 -6.479 1.00 0.00 N ATOM 958 CA TRP A 65 -8.336 -10.714 -7.525 1.00 0.00 C ATOM 959 C TRP A 65 -7.962 -11.977 -8.294 1.00 0.00 C ATOM 960 O TRP A 65 -8.245 -12.097 -9.486 1.00 0.00 O ATOM 961 CB TRP A 65 -8.439 -9.529 -8.487 1.00 0.00 C ATOM 962 CG TRP A 65 -9.421 -8.488 -8.043 1.00 0.00 C ATOM 963 CD1 TRP A 65 -10.028 -8.401 -6.822 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.912 -7.387 -8.816 1.00 0.00 C ATOM 965 NE1 TRP A 65 -10.866 -7.312 -6.790 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.812 -6.673 -8.000 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.677 -6.934 -10.117 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -11.476 -5.534 -8.446 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.337 -5.803 -10.557 1.00 0.00 C ATOM 970 CH2 TRP A 65 -11.227 -5.112 -9.724 1.00 0.00 C ATOM 0 H TRP A 65 -6.598 -9.818 -6.767 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.304 -10.873 -7.050 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.456 -9.070 -8.593 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.728 -9.894 -9.472 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -9.872 -9.087 -6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.436 -7.026 -5.994 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.992 -7.459 -10.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -12.164 -5.002 -7.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.164 -5.445 -11.561 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.726 -4.230 -10.097 1.00 0.00 H new ATOM 981 N VAL A 66 -7.324 -12.917 -7.604 1.00 0.00 N ATOM 982 CA VAL A 66 -6.913 -14.172 -8.222 1.00 0.00 C ATOM 983 C VAL A 66 -7.538 -15.366 -7.510 1.00 0.00 C ATOM 984 O VAL A 66 -7.626 -15.394 -6.283 1.00 0.00 O ATOM 985 CB VAL A 66 -5.380 -14.327 -8.212 1.00 0.00 C ATOM 986 CG1 VAL A 66 -4.882 -14.619 -6.804 1.00 0.00 C ATOM 987 CG2 VAL A 66 -4.949 -15.421 -9.177 1.00 0.00 C ATOM 0 H VAL A 66 -7.081 -12.833 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.262 -14.145 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.935 -13.388 -8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.797 -14.725 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.159 -13.798 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.333 -15.543 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.863 -15.517 -9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.402 -16.367 -8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.272 -15.164 -10.186 1.00 0.00 H new ATOM 997 N ASN A 67 -7.971 -16.352 -8.289 1.00 0.00 N ATOM 998 CA ASN A 67 -8.589 -17.550 -7.732 1.00 0.00 C ATOM 999 C ASN A 67 -7.555 -18.655 -7.537 1.00 0.00 C ATOM 1000 O ASN A 67 -7.819 -19.823 -7.821 1.00 0.00 O ATOM 1001 CB ASN A 67 -9.711 -18.043 -8.649 1.00 0.00 C ATOM 1002 CG ASN A 67 -10.638 -16.924 -9.081 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -10.196 -15.912 -9.625 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -11.932 -17.101 -8.840 1.00 0.00 N ATOM 0 H ASN A 67 -7.905 -16.345 -9.307 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.009 -17.294 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.276 -18.512 -9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.288 -18.810 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.604 -16.382 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.254 -17.956 -8.387 1.00 0.00 H new ATOM 1011 N GLN A 68 -6.377 -18.276 -7.050 1.00 0.00 N ATOM 1012 CA GLN A 68 -5.304 -19.235 -6.816 1.00 0.00 C ATOM 1013 C GLN A 68 -5.636 -20.149 -5.642 1.00 0.00 C ATOM 1014 O GLN A 68 -5.833 -19.685 -4.519 1.00 0.00 O ATOM 1015 CB GLN A 68 -3.987 -18.503 -6.552 1.00 0.00 C ATOM 1016 CG GLN A 68 -2.756 -19.306 -6.941 1.00 0.00 C ATOM 1017 CD GLN A 68 -2.240 -20.169 -5.806 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -2.533 -21.363 -5.736 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -1.465 -19.568 -4.911 1.00 0.00 N ATOM 0 H GLN A 68 -6.142 -17.313 -6.810 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.198 -19.849 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.987 -17.563 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.927 -18.251 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.995 -19.940 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.968 -18.624 -7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.248 -18.576 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.087 -20.098 -4.126 1.00 0.00 H new ATOM 1028 N GLU A 69 -5.697 -21.450 -5.909 1.00 0.00 N ATOM 1029 CA GLU A 69 -6.006 -22.428 -4.873 1.00 0.00 C ATOM 1030 C GLU A 69 -4.928 -22.438 -3.794 1.00 0.00 C ATOM 1031 O GLU A 69 -3.771 -22.766 -4.059 1.00 0.00 O ATOM 1032 CB GLU A 69 -6.145 -23.824 -5.484 1.00 0.00 C ATOM 1033 CG GLU A 69 -6.277 -24.930 -4.450 1.00 0.00 C ATOM 1034 CD GLU A 69 -7.656 -24.979 -3.821 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -8.557 -25.609 -4.413 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -7.833 -24.387 -2.736 1.00 0.00 O ATOM 0 H GLU A 69 -5.537 -21.851 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.953 -22.144 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.019 -23.841 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.276 -24.026 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.062 -25.890 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.531 -24.783 -3.669 1.00 0.00 H new ATOM 1043 N ASP A 70 -5.315 -22.075 -2.576 1.00 0.00 N ATOM 1044 CA ASP A 70 -4.382 -22.042 -1.455 1.00 0.00 C ATOM 1045 C ASP A 70 -4.843 -22.971 -0.337 1.00 0.00 C ATOM 1046 O ASP A 70 -5.923 -23.557 -0.410 1.00 0.00 O ATOM 1047 CB ASP A 70 -4.241 -20.615 -0.924 1.00 0.00 C ATOM 1048 CG ASP A 70 -3.066 -20.463 0.023 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -1.926 -20.751 -0.397 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -3.287 -20.057 1.183 1.00 0.00 O ATOM 0 H ASP A 70 -6.268 -21.799 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.411 -22.386 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.119 -19.929 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.158 -20.330 -0.409 1.00 0.00 H new ATOM 1055 N GLU A 71 -4.017 -23.101 0.696 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.340 -23.961 1.829 1.00 0.00 C ATOM 1057 C GLU A 71 -5.049 -23.173 2.926 1.00 0.00 C ATOM 1058 O GLU A 71 -4.913 -21.952 3.015 1.00 0.00 O ATOM 1059 CB GLU A 71 -3.069 -24.605 2.388 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.321 -25.910 3.123 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.536 -27.079 2.181 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -2.585 -27.441 1.458 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -4.656 -27.630 2.167 1.00 0.00 O ATOM 0 H GLU A 71 -3.120 -22.622 0.772 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.011 -24.745 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.374 -24.788 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.584 -23.903 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.474 -26.125 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.196 -25.799 3.763 1.00 0.00 H new ATOM 1070 N VAL A 72 -5.806 -23.879 3.759 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.537 -23.247 4.851 1.00 0.00 C ATOM 1072 C VAL A 72 -6.167 -23.869 6.192 1.00 0.00 C ATOM 1073 O VAL A 72 -6.035 -25.087 6.307 1.00 0.00 O ATOM 1074 CB VAL A 72 -8.059 -23.360 4.647 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -8.803 -22.759 5.831 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -8.474 -22.685 3.348 1.00 0.00 C ATOM 0 H VAL A 72 -5.929 -24.890 3.699 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.256 -22.194 4.853 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.322 -24.416 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.877 -22.848 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.528 -23.291 6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.537 -21.707 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.553 -22.775 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.199 -21.631 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.968 -23.165 2.511 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.002 -23.024 7.205 1.00 0.00 N ATOM 1087 CA GLU A 73 -5.646 -23.492 8.540 1.00 0.00 C ATOM 1088 C GLU A 73 -6.512 -22.818 9.601 1.00 0.00 C ATOM 1089 O GLU A 73 -6.376 -21.623 9.860 1.00 0.00 O ATOM 1090 CB GLU A 73 -4.168 -23.219 8.823 1.00 0.00 C ATOM 1091 CG GLU A 73 -3.559 -24.164 9.846 1.00 0.00 C ATOM 1092 CD GLU A 73 -3.273 -25.538 9.271 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -2.967 -25.623 8.064 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -3.354 -26.527 10.029 1.00 0.00 O ATOM 0 H GLU A 73 -6.109 -22.013 7.127 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.823 -24.567 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.608 -23.296 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.058 -22.194 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.633 -23.733 10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.237 -24.263 10.694 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.402 -23.595 10.210 1.00 0.00 N ATOM 1102 CA GLU A 74 -8.291 -23.073 11.242 1.00 0.00 C ATOM 1103 C GLU A 74 -7.602 -23.072 12.604 1.00 0.00 C ATOM 1104 O GLU A 74 -6.472 -23.539 12.740 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.574 -23.903 11.308 1.00 0.00 C ATOM 1106 CG GLU A 74 -9.355 -25.326 11.796 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.648 -26.109 11.909 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.166 -26.553 10.863 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -11.142 -26.278 13.044 1.00 0.00 O ATOM 0 H GLU A 74 -7.527 -24.587 10.007 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.545 -22.045 10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.284 -23.406 11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.028 -23.933 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.681 -25.841 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.863 -25.301 12.769 1.00 0.00 H new ATOM 1116 N GLY A 75 -8.293 -22.542 13.609 1.00 0.00 N ATOM 1117 CA GLY A 75 -7.732 -22.489 14.947 1.00 0.00 C ATOM 1118 C GLY A 75 -8.786 -22.240 16.007 1.00 0.00 C ATOM 1119 O GLY A 75 -9.980 -22.207 15.710 1.00 0.00 O ATOM 0 H GLY A 75 -9.230 -22.149 13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.221 -23.427 15.161 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.982 -21.700 14.992 1.00 0.00 H new ATOM 1123 N SER A 76 -8.344 -22.065 17.249 1.00 0.00 N ATOM 1124 CA SER A 76 -9.259 -21.823 18.358 1.00 0.00 C ATOM 1125 C SER A 76 -8.528 -21.184 19.536 1.00 0.00 C ATOM 1126 O SER A 76 -7.322 -20.947 19.477 1.00 0.00 O ATOM 1127 CB SER A 76 -9.915 -23.132 18.801 1.00 0.00 C ATOM 1128 OG SER A 76 -10.829 -23.600 17.824 1.00 0.00 O ATOM 0 H SER A 76 -7.359 -22.086 17.512 1.00 0.00 H new ATOM 0 HA SER A 76 -10.032 -21.135 18.015 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.148 -23.886 18.977 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.435 -22.980 19.747 1.00 0.00 H new ATOM 0 HG SER A 76 -10.853 -22.973 17.071 1.00 0.00 H new ATOM 1134 N GLY A 77 -9.268 -20.908 20.605 1.00 0.00 N ATOM 1135 CA GLY A 77 -8.675 -20.299 21.781 1.00 0.00 C ATOM 1136 C GLY A 77 -9.487 -20.550 23.036 1.00 0.00 C ATOM 1137 O GLY A 77 -10.715 -20.634 23.000 1.00 0.00 O ATOM 0 H GLY A 77 -10.268 -21.095 20.678 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.667 -20.690 21.920 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.581 -19.225 21.622 1.00 0.00 H new ATOM 1141 N PRO A 78 -8.795 -20.676 24.178 1.00 0.00 N ATOM 1142 CA PRO A 78 -9.439 -20.923 25.471 1.00 0.00 C ATOM 1143 C PRO A 78 -10.225 -19.713 25.967 1.00 0.00 C ATOM 1144 O PRO A 78 -10.372 -18.722 25.252 1.00 0.00 O ATOM 1145 CB PRO A 78 -8.262 -21.214 26.405 1.00 0.00 C ATOM 1146 CG PRO A 78 -7.102 -20.520 25.779 1.00 0.00 C ATOM 1147 CD PRO A 78 -7.329 -20.588 24.295 1.00 0.00 C ATOM 0 HA PRO A 78 -10.167 -21.733 25.415 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.452 -20.839 27.411 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.082 -22.285 26.493 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.038 -19.486 26.117 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.164 -21.003 26.053 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.938 -19.706 23.788 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.838 -21.455 23.853 1.00 0.00 H new ATOM 1155 N SER A 79 -10.728 -19.802 27.194 1.00 0.00 N ATOM 1156 CA SER A 79 -11.502 -18.716 27.784 1.00 0.00 C ATOM 1157 C SER A 79 -11.026 -18.419 29.203 1.00 0.00 C ATOM 1158 O SER A 79 -10.127 -19.081 29.720 1.00 0.00 O ATOM 1159 CB SER A 79 -12.990 -19.070 27.796 1.00 0.00 C ATOM 1160 OG SER A 79 -13.298 -19.943 28.869 1.00 0.00 O ATOM 0 H SER A 79 -10.613 -20.615 27.799 1.00 0.00 H new ATOM 0 HA SER A 79 -11.353 -17.824 27.175 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.583 -18.159 27.882 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.263 -19.540 26.851 1.00 0.00 H new ATOM 0 HG SER A 79 -14.255 -20.153 28.856 1.00 0.00 H new ATOM 1166 N SER A 80 -11.637 -17.416 29.826 1.00 0.00 N ATOM 1167 CA SER A 80 -11.275 -17.027 31.184 1.00 0.00 C ATOM 1168 C SER A 80 -12.520 -16.733 32.016 1.00 0.00 C ATOM 1169 O SER A 80 -13.642 -16.786 31.514 1.00 0.00 O ATOM 1170 CB SER A 80 -10.363 -15.799 31.159 1.00 0.00 C ATOM 1171 OG SER A 80 -10.928 -14.760 30.377 1.00 0.00 O ATOM 0 H SER A 80 -12.384 -16.859 29.412 1.00 0.00 H new ATOM 0 HA SER A 80 -10.741 -17.859 31.643 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.198 -15.444 32.176 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.389 -16.074 30.755 1.00 0.00 H new ATOM 0 HG SER A 80 -10.327 -13.986 30.378 1.00 0.00 H new ATOM 1177 N GLY A 81 -12.312 -16.424 33.292 1.00 0.00 N ATOM 1178 CA GLY A 81 -13.426 -16.126 34.174 1.00 0.00 C ATOM 1179 C GLY A 81 -13.560 -14.643 34.458 1.00 0.00 C ATOM 1180 O GLY A 81 -13.239 -13.810 33.611 1.00 0.00 O ATOM 0 H GLY A 81 -11.393 -16.375 33.731 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.349 -16.492 33.724 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.295 -16.662 35.114 1.00 0.00 H new TER 1184 GLY A 81