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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.646 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 30:sc= 1.04 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 22:sc= 0.0129 USER MOD Single : A 19 HIS : no HE2:sc= -2.26! K(o=-2.3!,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 170:sc= -1.26 USER MOD Single : A 22 MET CE :methyl 141:sc= -0.0855 (180deg=-0.531) USER MOD Single : A 24 ASN : amide:sc= 0.459 K(o=0.46,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 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 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.29! C(o=-5.3!,f=-9.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 76 SER OG : rot -54:sc= 0.0913 USER MOD Single : A 79 SER OG : rot 180:sc= -0.233 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.951 1.130 -9.232 1.00 0.00 N ATOM 2 CA GLY A 1 21.630 0.533 -9.302 1.00 0.00 C ATOM 3 C GLY A 1 21.044 0.585 -10.700 1.00 0.00 C ATOM 4 O GLY A 1 20.863 1.664 -11.264 1.00 0.00 O ATOM 0 H1 GLY A 1 23.308 1.070 -8.257 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.596 0.621 -9.869 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.897 2.128 -9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.686 -0.505 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.963 1.051 -8.612 1.00 0.00 H new ATOM 8 N SER A 2 20.748 -0.583 -11.260 1.00 0.00 N ATOM 9 CA SER A 2 20.184 -0.667 -12.602 1.00 0.00 C ATOM 10 C SER A 2 19.513 -2.018 -12.826 1.00 0.00 C ATOM 11 O SER A 2 20.183 -3.039 -12.983 1.00 0.00 O ATOM 12 CB SER A 2 21.276 -0.447 -13.651 1.00 0.00 C ATOM 13 OG SER A 2 21.401 0.927 -13.976 1.00 0.00 O ATOM 0 H SER A 2 20.889 -1.485 -10.805 1.00 0.00 H new ATOM 0 HA SER A 2 19.430 0.114 -12.702 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.227 -0.823 -13.275 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.041 -1.017 -14.550 1.00 0.00 H new ATOM 0 HG SER A 2 21.253 1.468 -13.172 1.00 0.00 H new ATOM 19 N SER A 3 18.183 -2.016 -12.840 1.00 0.00 N ATOM 20 CA SER A 3 17.419 -3.242 -13.041 1.00 0.00 C ATOM 21 C SER A 3 16.468 -3.101 -14.226 1.00 0.00 C ATOM 22 O SER A 3 16.211 -1.996 -14.702 1.00 0.00 O ATOM 23 CB SER A 3 16.630 -3.589 -11.777 1.00 0.00 C ATOM 24 OG SER A 3 17.403 -4.386 -10.897 1.00 0.00 O ATOM 0 H SER A 3 17.613 -1.179 -12.715 1.00 0.00 H new ATOM 0 HA SER A 3 18.121 -4.048 -13.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.326 -2.673 -11.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.718 -4.121 -12.048 1.00 0.00 H new ATOM 0 HG SER A 3 16.877 -4.593 -10.096 1.00 0.00 H new ATOM 30 N GLY A 4 15.947 -4.230 -14.697 1.00 0.00 N ATOM 31 CA GLY A 4 15.031 -4.212 -15.821 1.00 0.00 C ATOM 32 C GLY A 4 14.482 -5.587 -16.144 1.00 0.00 C ATOM 33 O GLY A 4 15.048 -6.313 -16.961 1.00 0.00 O ATOM 0 H GLY A 4 16.144 -5.157 -14.319 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.204 -3.537 -15.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.543 -3.814 -16.697 1.00 0.00 H new ATOM 37 N SER A 5 13.376 -5.948 -15.500 1.00 0.00 N ATOM 38 CA SER A 5 12.754 -7.248 -15.718 1.00 0.00 C ATOM 39 C SER A 5 11.253 -7.183 -15.455 1.00 0.00 C ATOM 40 O SER A 5 10.803 -6.508 -14.529 1.00 0.00 O ATOM 41 CB SER A 5 13.396 -8.303 -14.816 1.00 0.00 C ATOM 42 OG SER A 5 13.307 -9.593 -15.396 1.00 0.00 O ATOM 0 H SER A 5 12.893 -5.358 -14.823 1.00 0.00 H new ATOM 0 HA SER A 5 12.911 -7.528 -16.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.442 -8.050 -14.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.903 -8.303 -13.844 1.00 0.00 H new ATOM 0 HG SER A 5 13.726 -10.249 -14.801 1.00 0.00 H new ATOM 48 N SER A 6 10.482 -7.889 -16.276 1.00 0.00 N ATOM 49 CA SER A 6 9.031 -7.910 -16.135 1.00 0.00 C ATOM 50 C SER A 6 8.430 -9.101 -16.875 1.00 0.00 C ATOM 51 O SER A 6 8.803 -9.394 -18.010 1.00 0.00 O ATOM 52 CB SER A 6 8.428 -6.608 -16.666 1.00 0.00 C ATOM 53 OG SER A 6 8.481 -5.584 -15.687 1.00 0.00 O ATOM 0 H SER A 6 10.839 -8.454 -17.046 1.00 0.00 H new ATOM 0 HA SER A 6 8.795 -8.007 -15.075 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.968 -6.291 -17.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.393 -6.778 -16.963 1.00 0.00 H new ATOM 0 HG SER A 6 9.253 -5.731 -15.101 1.00 0.00 H new ATOM 59 N GLY A 7 7.495 -9.785 -16.221 1.00 0.00 N ATOM 60 CA GLY A 7 6.857 -10.937 -16.831 1.00 0.00 C ATOM 61 C GLY A 7 5.579 -11.335 -16.120 1.00 0.00 C ATOM 62 O GLY A 7 4.591 -11.697 -16.760 1.00 0.00 O ATOM 0 H GLY A 7 7.169 -9.562 -15.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.635 -10.715 -17.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.550 -11.778 -16.825 1.00 0.00 H new ATOM 66 N ASP A 8 5.597 -11.270 -14.793 1.00 0.00 N ATOM 67 CA ASP A 8 4.430 -11.628 -13.995 1.00 0.00 C ATOM 68 C ASP A 8 3.291 -10.640 -14.225 1.00 0.00 C ATOM 69 O ASP A 8 3.485 -9.426 -14.157 1.00 0.00 O ATOM 70 CB ASP A 8 4.795 -11.667 -12.510 1.00 0.00 C ATOM 71 CG ASP A 8 5.818 -12.741 -12.194 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.681 -13.864 -12.722 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.755 -12.458 -11.418 1.00 0.00 O ATOM 0 H ASP A 8 6.406 -10.973 -14.248 1.00 0.00 H new ATOM 0 HA ASP A 8 4.097 -12.618 -14.306 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.188 -10.696 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.894 -11.843 -11.922 1.00 0.00 H new ATOM 78 N SER A 9 2.102 -11.168 -14.498 1.00 0.00 N ATOM 79 CA SER A 9 0.932 -10.333 -14.743 1.00 0.00 C ATOM 80 C SER A 9 0.687 -9.385 -13.574 1.00 0.00 C ATOM 81 O SER A 9 0.971 -9.716 -12.422 1.00 0.00 O ATOM 82 CB SER A 9 -0.303 -11.205 -14.975 1.00 0.00 C ATOM 83 OG SER A 9 -0.539 -12.061 -13.870 1.00 0.00 O ATOM 0 H SER A 9 1.924 -12.171 -14.555 1.00 0.00 H new ATOM 0 HA SER A 9 1.121 -9.738 -15.637 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.174 -10.571 -15.140 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.167 -11.801 -15.878 1.00 0.00 H new ATOM 0 HG SER A 9 -1.335 -12.606 -14.043 1.00 0.00 H new ATOM 89 N ILE A 10 0.158 -8.205 -13.878 1.00 0.00 N ATOM 90 CA ILE A 10 -0.126 -7.208 -12.853 1.00 0.00 C ATOM 91 C ILE A 10 -1.209 -7.697 -11.896 1.00 0.00 C ATOM 92 O ILE A 10 -2.300 -8.078 -12.319 1.00 0.00 O ATOM 93 CB ILE A 10 -0.573 -5.872 -13.475 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.607 -5.189 -14.170 1.00 0.00 C ATOM 95 CG2 ILE A 10 -1.165 -4.963 -12.409 1.00 0.00 C ATOM 96 CD1 ILE A 10 0.949 -5.793 -15.514 1.00 0.00 C ATOM 0 H ILE A 10 -0.083 -7.916 -14.826 1.00 0.00 H new ATOM 0 HA ILE A 10 0.801 -7.051 -12.301 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.343 -6.074 -14.220 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.377 -4.132 -14.304 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.482 -5.245 -13.522 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.476 -4.023 -12.864 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.028 -5.449 -11.955 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.415 -4.765 -11.643 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.794 -5.259 -15.948 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.211 -6.843 -15.385 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.089 -5.712 -16.179 1.00 0.00 H new ATOM 108 N VAL A 11 -0.899 -7.683 -10.604 1.00 0.00 N ATOM 109 CA VAL A 11 -1.846 -8.122 -9.586 1.00 0.00 C ATOM 110 C VAL A 11 -2.616 -6.941 -9.006 1.00 0.00 C ATOM 111 O VAL A 11 -2.090 -5.833 -8.903 1.00 0.00 O ATOM 112 CB VAL A 11 -1.134 -8.868 -8.442 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.116 -9.201 -7.329 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.461 -10.128 -8.965 1.00 0.00 C ATOM 0 H VAL A 11 0.001 -7.372 -10.237 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.544 -8.802 -10.075 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.363 -8.216 -8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.595 -9.728 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.547 -8.280 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.911 -9.834 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.037 -10.642 -8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.211 -10.786 -9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.274 -9.860 -9.724 1.00 0.00 H new ATOM 124 N SER A 12 -3.867 -7.186 -8.628 1.00 0.00 N ATOM 125 CA SER A 12 -4.712 -6.141 -8.061 1.00 0.00 C ATOM 126 C SER A 12 -5.597 -6.701 -6.951 1.00 0.00 C ATOM 127 O SER A 12 -6.280 -7.708 -7.135 1.00 0.00 O ATOM 128 CB SER A 12 -5.581 -5.511 -9.152 1.00 0.00 C ATOM 129 OG SER A 12 -4.879 -4.486 -9.834 1.00 0.00 O ATOM 0 H SER A 12 -4.317 -8.098 -8.704 1.00 0.00 H new ATOM 0 HA SER A 12 -4.064 -5.375 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.892 -6.278 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.488 -5.101 -8.708 1.00 0.00 H new ATOM 0 HG SER A 12 -3.915 -4.616 -9.716 1.00 0.00 H new ATOM 135 N ALA A 13 -5.578 -6.040 -5.799 1.00 0.00 N ATOM 136 CA ALA A 13 -6.379 -6.470 -4.659 1.00 0.00 C ATOM 137 C ALA A 13 -7.283 -5.344 -4.168 1.00 0.00 C ATOM 138 O ALA A 13 -6.960 -4.166 -4.318 1.00 0.00 O ATOM 139 CB ALA A 13 -5.478 -6.954 -3.533 1.00 0.00 C ATOM 0 H ALA A 13 -5.017 -5.205 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.013 -7.296 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.090 -7.272 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.878 -7.794 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.820 -6.143 -3.220 1.00 0.00 H new ATOM 145 N GLU A 14 -8.417 -5.715 -3.582 1.00 0.00 N ATOM 146 CA GLU A 14 -9.368 -4.734 -3.071 1.00 0.00 C ATOM 147 C GLU A 14 -9.302 -4.655 -1.548 1.00 0.00 C ATOM 148 O GLU A 14 -9.359 -5.674 -0.860 1.00 0.00 O ATOM 149 CB GLU A 14 -10.789 -5.091 -3.513 1.00 0.00 C ATOM 150 CG GLU A 14 -11.717 -3.891 -3.606 1.00 0.00 C ATOM 151 CD GLU A 14 -13.146 -4.282 -3.928 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.879 -4.668 -2.994 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.531 -4.201 -5.113 1.00 0.00 O ATOM 0 H GLU A 14 -8.699 -6.686 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.102 -3.759 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.746 -5.582 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.209 -5.811 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.697 -3.347 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.349 -3.210 -4.374 1.00 0.00 H new ATOM 160 N ALA A 15 -9.182 -3.437 -1.030 1.00 0.00 N ATOM 161 CA ALA A 15 -9.109 -3.224 0.410 1.00 0.00 C ATOM 162 C ALA A 15 -10.411 -3.632 1.092 1.00 0.00 C ATOM 163 O ALA A 15 -11.410 -2.916 1.023 1.00 0.00 O ATOM 164 CB ALA A 15 -8.787 -1.768 0.712 1.00 0.00 C ATOM 0 H ALA A 15 -9.133 -2.583 -1.586 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.310 -3.851 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.736 -1.623 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.828 -1.507 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.567 -1.129 0.297 1.00 0.00 H new ATOM 170 N VAL A 16 -10.392 -4.787 1.750 1.00 0.00 N ATOM 171 CA VAL A 16 -11.571 -5.290 2.444 1.00 0.00 C ATOM 172 C VAL A 16 -11.720 -4.641 3.815 1.00 0.00 C ATOM 173 O VAL A 16 -12.827 -4.528 4.343 1.00 0.00 O ATOM 174 CB VAL A 16 -11.511 -6.820 2.617 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.763 -7.517 1.289 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.170 -7.237 3.201 1.00 0.00 C ATOM 0 H VAL A 16 -9.573 -5.392 1.817 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.433 -5.035 1.828 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.294 -7.121 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.717 -8.597 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.749 -7.242 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.004 -7.213 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.145 -8.321 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.369 -6.925 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.034 -6.765 4.174 1.00 0.00 H new ATOM 186 N TRP A 17 -10.600 -4.215 4.387 1.00 0.00 N ATOM 187 CA TRP A 17 -10.606 -3.575 5.698 1.00 0.00 C ATOM 188 C TRP A 17 -9.836 -2.259 5.665 1.00 0.00 C ATOM 189 O TRP A 17 -8.700 -2.206 5.192 1.00 0.00 O ATOM 190 CB TRP A 17 -9.999 -4.509 6.746 1.00 0.00 C ATOM 191 CG TRP A 17 -10.940 -5.584 7.199 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.537 -6.533 6.418 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.393 -5.820 8.536 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.334 -7.344 7.190 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.262 -6.927 8.493 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.148 -5.204 9.767 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.885 -7.429 9.633 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.767 -5.702 10.897 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.627 -6.806 10.824 1.00 0.00 C ATOM 0 H TRP A 17 -9.676 -4.301 3.964 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.641 -3.362 5.966 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.102 -4.971 6.334 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.687 -3.921 7.609 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.402 -6.631 5.351 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.889 -8.129 6.848 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.486 -4.353 9.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.548 -8.280 9.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.585 -5.233 11.853 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -13.095 -7.172 11.725 1.00 0.00 H new ATOM 210 N ASP A 18 -10.460 -1.201 6.170 1.00 0.00 N ATOM 211 CA ASP A 18 -9.832 0.115 6.199 1.00 0.00 C ATOM 212 C ASP A 18 -8.563 0.093 7.046 1.00 0.00 C ATOM 213 O ASP A 18 -8.559 -0.423 8.164 1.00 0.00 O ATOM 214 CB ASP A 18 -10.808 1.157 6.748 1.00 0.00 C ATOM 215 CG ASP A 18 -11.506 0.688 8.010 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.170 -0.368 7.963 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.389 1.379 9.044 1.00 0.00 O ATOM 0 H ASP A 18 -11.400 -1.229 6.565 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.561 0.384 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.269 2.081 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.554 1.388 5.988 1.00 0.00 H new ATOM 222 N HIS A 19 -7.487 0.655 6.504 1.00 0.00 N ATOM 223 CA HIS A 19 -6.211 0.699 7.210 1.00 0.00 C ATOM 224 C HIS A 19 -5.828 2.136 7.550 1.00 0.00 C ATOM 225 O HIS A 19 -5.017 2.753 6.860 1.00 0.00 O ATOM 226 CB HIS A 19 -5.114 0.053 6.363 1.00 0.00 C ATOM 227 CG HIS A 19 -3.787 -0.015 7.054 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.587 -0.079 6.376 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.474 -0.029 8.371 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.595 -0.130 7.246 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.106 -0.100 8.464 1.00 0.00 N ATOM 0 H HIS A 19 -7.473 1.086 5.580 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.318 0.141 8.140 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.424 -0.955 6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.003 0.615 5.436 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.483 -0.086 5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.171 0.009 9.195 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.544 -0.187 7.003 1.00 0.00 H new ATOM 240 N VAL A 20 -6.418 2.663 8.618 1.00 0.00 N ATOM 241 CA VAL A 20 -6.139 4.027 9.051 1.00 0.00 C ATOM 242 C VAL A 20 -4.705 4.162 9.551 1.00 0.00 C ATOM 243 O VAL A 20 -4.463 4.285 10.753 1.00 0.00 O ATOM 244 CB VAL A 20 -7.104 4.472 10.165 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.368 5.073 9.569 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.439 3.301 11.077 1.00 0.00 C ATOM 0 H VAL A 20 -7.093 2.166 9.200 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.280 4.670 8.182 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.613 5.240 10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.038 5.382 10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.107 5.939 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.866 4.329 8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.122 3.633 11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.911 2.510 10.495 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.524 2.921 11.532 1.00 0.00 H new ATOM 256 N THR A 21 -3.755 4.139 8.622 1.00 0.00 N ATOM 257 CA THR A 21 -2.344 4.258 8.968 1.00 0.00 C ATOM 258 C THR A 21 -2.093 5.484 9.839 1.00 0.00 C ATOM 259 O THR A 21 -1.383 5.410 10.841 1.00 0.00 O ATOM 260 CB THR A 21 -1.462 4.349 7.708 1.00 0.00 C ATOM 261 OG1 THR A 21 -1.804 5.517 6.954 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.630 3.111 6.840 1.00 0.00 C ATOM 0 H THR A 21 -3.937 4.039 7.623 1.00 0.00 H new ATOM 0 HA THR A 21 -2.078 3.359 9.525 1.00 0.00 H new ATOM 0 HB THR A 21 -0.421 4.413 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.139 5.657 6.248 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.998 3.198 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.341 2.227 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.672 3.020 6.533 1.00 0.00 H new ATOM 270 N MET A 22 -2.681 6.611 9.450 1.00 0.00 N ATOM 271 CA MET A 22 -2.523 7.853 10.198 1.00 0.00 C ATOM 272 C MET A 22 -1.079 8.342 10.139 1.00 0.00 C ATOM 273 O MET A 22 -0.509 8.747 11.151 1.00 0.00 O ATOM 274 CB MET A 22 -2.946 7.654 11.655 1.00 0.00 C ATOM 275 CG MET A 22 -3.480 8.917 12.310 1.00 0.00 C ATOM 276 SD MET A 22 -5.000 9.509 11.543 1.00 0.00 S ATOM 277 CE MET A 22 -6.129 8.182 11.959 1.00 0.00 C ATOM 0 H MET A 22 -3.271 6.690 8.622 1.00 0.00 H new ATOM 0 HA MET A 22 -3.164 8.607 9.741 1.00 0.00 H new ATOM 0 HB2 MET A 22 -3.712 6.879 11.700 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.092 7.291 12.227 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.663 8.724 13.367 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.722 9.698 12.255 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.104 8.599 12.209 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.230 7.510 11.107 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.741 7.629 12.814 1.00 0.00 H new ATOM 287 N ALA A 23 -0.494 8.301 8.946 1.00 0.00 N ATOM 288 CA ALA A 23 0.883 8.742 8.756 1.00 0.00 C ATOM 289 C ALA A 23 1.253 8.759 7.276 1.00 0.00 C ATOM 290 O ALA A 23 1.328 7.713 6.634 1.00 0.00 O ATOM 291 CB ALA A 23 1.836 7.845 9.531 1.00 0.00 C ATOM 0 H ALA A 23 -0.951 7.967 8.098 1.00 0.00 H new ATOM 0 HA ALA A 23 0.970 9.759 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.860 8.186 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.593 7.887 10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.739 6.819 9.176 1.00 0.00 H new ATOM 297 N ASN A 24 1.484 9.954 6.743 1.00 0.00 N ATOM 298 CA ASN A 24 1.846 10.107 5.338 1.00 0.00 C ATOM 299 C ASN A 24 2.844 9.033 4.914 1.00 0.00 C ATOM 300 O ASN A 24 2.658 8.368 3.895 1.00 0.00 O ATOM 301 CB ASN A 24 2.439 11.496 5.091 1.00 0.00 C ATOM 302 CG ASN A 24 1.618 12.597 5.733 1.00 0.00 C ATOM 303 OD1 ASN A 24 1.623 12.760 6.953 1.00 0.00 O ATOM 304 ND2 ASN A 24 0.907 13.361 4.911 1.00 0.00 N ATOM 0 H ASN A 24 1.427 10.830 7.262 1.00 0.00 H new ATOM 0 HA ASN A 24 0.941 9.994 4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.456 11.529 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.505 11.674 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.336 14.119 5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.933 13.190 3.906 1.00 0.00 H new ATOM 311 N ARG A 25 3.901 8.870 5.702 1.00 0.00 N ATOM 312 CA ARG A 25 4.928 7.878 5.408 1.00 0.00 C ATOM 313 C ARG A 25 4.301 6.575 4.919 1.00 0.00 C ATOM 314 O ARG A 25 4.720 6.016 3.907 1.00 0.00 O ATOM 315 CB ARG A 25 5.780 7.612 6.650 1.00 0.00 C ATOM 316 CG ARG A 25 7.017 6.773 6.371 1.00 0.00 C ATOM 317 CD ARG A 25 7.868 6.603 7.620 1.00 0.00 C ATOM 318 NE ARG A 25 9.191 6.067 7.312 1.00 0.00 N ATOM 319 CZ ARG A 25 10.026 5.597 8.232 1.00 0.00 C ATOM 320 NH1 ARG A 25 9.676 5.596 9.511 1.00 0.00 N ATOM 321 NH2 ARG A 25 11.214 5.126 7.873 1.00 0.00 N ATOM 0 H ARG A 25 4.069 9.412 6.549 1.00 0.00 H new ATOM 0 HA ARG A 25 5.565 8.274 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.087 8.565 7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.169 7.106 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.717 5.794 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.609 7.245 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.974 7.566 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.360 5.936 8.317 1.00 0.00 H new ATOM 0 HE ARG A 25 9.490 6.053 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.764 5.957 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.319 5.235 10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.486 5.125 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.855 4.765 8.580 1.00 0.00 H new ATOM 335 N GLU A 26 3.295 6.099 5.647 1.00 0.00 N ATOM 336 CA GLU A 26 2.612 4.862 5.287 1.00 0.00 C ATOM 337 C GLU A 26 1.477 5.133 4.305 1.00 0.00 C ATOM 338 O GLU A 26 0.903 6.223 4.287 1.00 0.00 O ATOM 339 CB GLU A 26 2.065 4.173 6.539 1.00 0.00 C ATOM 340 CG GLU A 26 3.146 3.723 7.508 1.00 0.00 C ATOM 341 CD GLU A 26 2.637 2.720 8.525 1.00 0.00 C ATOM 342 OE1 GLU A 26 1.807 1.865 8.152 1.00 0.00 O ATOM 343 OE2 GLU A 26 3.069 2.790 9.694 1.00 0.00 O ATOM 0 H GLU A 26 2.936 6.551 6.488 1.00 0.00 H new ATOM 0 HA GLU A 26 3.336 4.204 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.389 4.856 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.475 3.307 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.970 3.281 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.546 4.593 8.030 1.00 0.00 H new ATOM 350 N LEU A 27 1.157 4.134 3.489 1.00 0.00 N ATOM 351 CA LEU A 27 0.091 4.264 2.502 1.00 0.00 C ATOM 352 C LEU A 27 -1.279 4.121 3.159 1.00 0.00 C ATOM 353 O LEU A 27 -1.709 3.015 3.484 1.00 0.00 O ATOM 354 CB LEU A 27 0.255 3.212 1.404 1.00 0.00 C ATOM 355 CG LEU A 27 -0.272 3.598 0.021 1.00 0.00 C ATOM 356 CD1 LEU A 27 0.495 2.862 -1.066 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.761 3.305 -0.083 1.00 0.00 C ATOM 0 H LEU A 27 1.621 3.225 3.492 1.00 0.00 H new ATOM 0 HA LEU A 27 0.159 5.257 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.314 2.972 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.252 2.301 1.723 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.122 4.669 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.107 3.149 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.552 3.122 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.377 1.787 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.119 3.586 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.934 2.241 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.298 3.878 0.673 1.00 0.00 H new ATOM 369 N ALA A 28 -1.959 5.246 3.349 1.00 0.00 N ATOM 370 CA ALA A 28 -3.281 5.246 3.963 1.00 0.00 C ATOM 371 C ALA A 28 -4.365 4.957 2.930 1.00 0.00 C ATOM 372 O ALA A 28 -4.230 5.308 1.758 1.00 0.00 O ATOM 373 CB ALA A 28 -3.545 6.578 4.649 1.00 0.00 C ATOM 0 H ALA A 28 -1.616 6.170 3.086 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.307 4.454 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.536 6.563 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.794 6.744 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.494 7.382 3.915 1.00 0.00 H new ATOM 379 N PHE A 29 -5.441 4.314 3.373 1.00 0.00 N ATOM 380 CA PHE A 29 -6.548 3.977 2.486 1.00 0.00 C ATOM 381 C PHE A 29 -7.739 3.448 3.281 1.00 0.00 C ATOM 382 O PHE A 29 -7.637 3.196 4.482 1.00 0.00 O ATOM 383 CB PHE A 29 -6.105 2.935 1.457 1.00 0.00 C ATOM 384 CG PHE A 29 -5.401 1.755 2.062 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.121 0.665 2.525 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.020 1.735 2.168 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.475 -0.422 3.084 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.368 0.651 2.725 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.097 -0.430 3.183 1.00 0.00 C ATOM 0 H PHE A 29 -5.569 4.016 4.340 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.854 4.885 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.979 2.584 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.443 3.410 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.198 0.665 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.446 2.577 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.047 -1.265 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.291 0.649 2.802 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.591 -1.279 3.617 1.00 0.00 H new ATOM 399 N LYS A 30 -8.869 3.284 2.602 1.00 0.00 N ATOM 400 CA LYS A 30 -10.081 2.785 3.241 1.00 0.00 C ATOM 401 C LYS A 30 -10.742 1.706 2.389 1.00 0.00 C ATOM 402 O LYS A 30 -10.532 1.644 1.178 1.00 0.00 O ATOM 403 CB LYS A 30 -11.064 3.932 3.483 1.00 0.00 C ATOM 404 CG LYS A 30 -10.518 5.019 4.393 1.00 0.00 C ATOM 405 CD LYS A 30 -11.636 5.840 5.014 1.00 0.00 C ATOM 406 CE LYS A 30 -12.120 6.929 4.067 1.00 0.00 C ATOM 407 NZ LYS A 30 -13.425 7.501 4.500 1.00 0.00 N ATOM 0 H LYS A 30 -8.971 3.490 1.608 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.802 2.346 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.336 4.375 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.978 3.530 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.916 4.567 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.858 5.673 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.468 5.186 5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.285 6.292 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.375 7.723 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.219 6.519 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.720 8.239 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.143 6.749 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.325 7.915 5.449 1.00 0.00 H new ATOM 421 N ALA A 31 -11.543 0.861 3.029 1.00 0.00 N ATOM 422 CA ALA A 31 -12.237 -0.213 2.328 1.00 0.00 C ATOM 423 C ALA A 31 -12.882 0.298 1.044 1.00 0.00 C ATOM 424 O ALA A 31 -13.517 1.351 1.032 1.00 0.00 O ATOM 425 CB ALA A 31 -13.285 -0.842 3.233 1.00 0.00 C ATOM 0 H ALA A 31 -11.728 0.899 4.031 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.503 -0.972 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.795 -1.642 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.802 -1.250 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.010 -0.085 3.531 1.00 0.00 H new ATOM 431 N GLY A 32 -12.713 -0.457 -0.038 1.00 0.00 N ATOM 432 CA GLY A 32 -13.284 -0.064 -1.313 1.00 0.00 C ATOM 433 C GLY A 32 -12.227 0.351 -2.318 1.00 0.00 C ATOM 434 O GLY A 32 -12.396 0.158 -3.522 1.00 0.00 O ATOM 0 H GLY A 32 -12.191 -1.333 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.862 -0.894 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.978 0.762 -1.158 1.00 0.00 H new ATOM 438 N ASP A 33 -11.136 0.925 -1.824 1.00 0.00 N ATOM 439 CA ASP A 33 -10.048 1.369 -2.687 1.00 0.00 C ATOM 440 C ASP A 33 -9.140 0.202 -3.062 1.00 0.00 C ATOM 441 O ASP A 33 -8.565 -0.454 -2.193 1.00 0.00 O ATOM 442 CB ASP A 33 -9.234 2.464 -1.995 1.00 0.00 C ATOM 443 CG ASP A 33 -10.082 3.658 -1.606 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.663 4.293 -2.510 1.00 0.00 O ATOM 445 OD2 ASP A 33 -10.165 3.958 -0.396 1.00 0.00 O ATOM 0 H ASP A 33 -10.981 1.094 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.484 1.774 -3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.761 2.052 -1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.433 2.791 -2.658 1.00 0.00 H new ATOM 450 N VAL A 34 -9.016 -0.052 -4.360 1.00 0.00 N ATOM 451 CA VAL A 34 -8.178 -1.140 -4.850 1.00 0.00 C ATOM 452 C VAL A 34 -6.771 -0.648 -5.170 1.00 0.00 C ATOM 453 O VAL A 34 -6.591 0.277 -5.962 1.00 0.00 O ATOM 454 CB VAL A 34 -8.782 -1.790 -6.110 1.00 0.00 C ATOM 455 CG1 VAL A 34 -8.904 -0.769 -7.231 1.00 0.00 C ATOM 456 CG2 VAL A 34 -7.941 -2.979 -6.549 1.00 0.00 C ATOM 0 H VAL A 34 -9.485 0.481 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.128 -1.884 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.782 -2.150 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.332 -1.246 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.550 0.048 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.917 -0.376 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.381 -3.427 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.928 -2.645 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.910 -3.718 -5.749 1.00 0.00 H new ATOM 466 N ILE A 35 -5.777 -1.274 -4.549 1.00 0.00 N ATOM 467 CA ILE A 35 -4.385 -0.901 -4.769 1.00 0.00 C ATOM 468 C ILE A 35 -3.752 -1.758 -5.860 1.00 0.00 C ATOM 469 O ILE A 35 -4.052 -2.946 -5.985 1.00 0.00 O ATOM 470 CB ILE A 35 -3.555 -1.038 -3.479 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.180 -0.210 -2.354 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.117 -0.605 -3.725 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.256 -0.947 -1.587 1.00 0.00 C ATOM 0 H ILE A 35 -5.909 -2.041 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.384 0.143 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.552 -2.085 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.396 0.096 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.605 0.700 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.543 -0.708 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.675 -1.232 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.101 0.436 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.654 -0.300 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.059 -1.230 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.831 -1.843 -1.134 1.00 0.00 H new ATOM 485 N LYS A 36 -2.873 -1.148 -6.648 1.00 0.00 N ATOM 486 CA LYS A 36 -2.194 -1.855 -7.728 1.00 0.00 C ATOM 487 C LYS A 36 -0.880 -2.459 -7.241 1.00 0.00 C ATOM 488 O LYS A 36 0.083 -1.741 -6.971 1.00 0.00 O ATOM 489 CB LYS A 36 -1.927 -0.905 -8.898 1.00 0.00 C ATOM 490 CG LYS A 36 -1.639 -1.619 -10.207 1.00 0.00 C ATOM 491 CD LYS A 36 -2.066 -0.785 -11.403 1.00 0.00 C ATOM 492 CE LYS A 36 -0.954 0.147 -11.858 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.482 1.309 -12.626 1.00 0.00 N ATOM 0 H LYS A 36 -2.614 -0.165 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.843 -2.663 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.791 -0.254 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.081 -0.264 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.573 -1.837 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.162 -2.575 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.349 -1.443 -12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.949 -0.201 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.403 0.506 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.247 -0.406 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.693 1.920 -12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.986 0.968 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.137 1.852 -12.028 1.00 0.00 H new ATOM 507 N VAL A 37 -0.848 -3.784 -7.133 1.00 0.00 N ATOM 508 CA VAL A 37 0.348 -4.485 -6.681 1.00 0.00 C ATOM 509 C VAL A 37 1.389 -4.566 -7.791 1.00 0.00 C ATOM 510 O VAL A 37 1.169 -5.211 -8.818 1.00 0.00 O ATOM 511 CB VAL A 37 0.015 -5.909 -6.199 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.267 -6.606 -5.688 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.060 -5.869 -5.123 1.00 0.00 C ATOM 0 H VAL A 37 -1.636 -4.393 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 37 0.754 -3.913 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.370 -6.480 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.012 -7.611 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.002 -6.667 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.685 -6.040 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.283 -6.884 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.705 -5.282 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.963 -5.412 -5.528 1.00 0.00 H new ATOM 523 N LEU A 38 2.524 -3.910 -7.579 1.00 0.00 N ATOM 524 CA LEU A 38 3.602 -3.908 -8.563 1.00 0.00 C ATOM 525 C LEU A 38 4.462 -5.161 -8.430 1.00 0.00 C ATOM 526 O LEU A 38 4.550 -5.966 -9.357 1.00 0.00 O ATOM 527 CB LEU A 38 4.470 -2.659 -8.394 1.00 0.00 C ATOM 528 CG LEU A 38 3.720 -1.344 -8.180 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.699 -0.192 -8.017 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.768 -1.078 -9.337 1.00 0.00 C ATOM 0 H LEU A 38 2.722 -3.373 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 38 3.155 -3.901 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.136 -2.816 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.099 -2.556 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 38 3.133 -1.427 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.147 0.736 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.339 -0.378 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.313 -0.107 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.243 -0.138 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.334 -1.015 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.044 -1.890 -9.407 1.00 0.00 H new ATOM 542 N ASP A 39 5.092 -5.319 -7.272 1.00 0.00 N ATOM 543 CA ASP A 39 5.943 -6.476 -7.016 1.00 0.00 C ATOM 544 C ASP A 39 5.458 -7.247 -5.793 1.00 0.00 C ATOM 545 O ASP A 39 5.113 -6.655 -4.771 1.00 0.00 O ATOM 546 CB ASP A 39 7.393 -6.035 -6.815 1.00 0.00 C ATOM 547 CG ASP A 39 7.812 -4.957 -7.796 1.00 0.00 C ATOM 548 OD1 ASP A 39 7.492 -5.091 -8.995 1.00 0.00 O ATOM 549 OD2 ASP A 39 8.461 -3.981 -7.364 1.00 0.00 O ATOM 0 H ASP A 39 5.030 -4.661 -6.495 1.00 0.00 H new ATOM 0 HA ASP A 39 5.889 -7.135 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.519 -5.665 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.050 -6.897 -6.925 1.00 0.00 H new ATOM 554 N ALA A 40 5.435 -8.571 -5.905 1.00 0.00 N ATOM 555 CA ALA A 40 4.993 -9.423 -4.808 1.00 0.00 C ATOM 556 C ALA A 40 5.974 -10.567 -4.572 1.00 0.00 C ATOM 557 O ALA A 40 5.569 -11.705 -4.332 1.00 0.00 O ATOM 558 CB ALA A 40 3.601 -9.969 -5.090 1.00 0.00 C ATOM 0 H ALA A 40 5.717 -9.077 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 40 4.957 -8.817 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.284 -10.603 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.901 -9.141 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.619 -10.554 -6.009 1.00 0.00 H new ATOM 564 N SER A 41 7.265 -10.258 -4.644 1.00 0.00 N ATOM 565 CA SER A 41 8.303 -11.262 -4.443 1.00 0.00 C ATOM 566 C SER A 41 8.470 -11.581 -2.960 1.00 0.00 C ATOM 567 O SER A 41 8.641 -12.738 -2.579 1.00 0.00 O ATOM 568 CB SER A 41 9.632 -10.775 -5.024 1.00 0.00 C ATOM 569 OG SER A 41 10.680 -11.683 -4.731 1.00 0.00 O ATOM 0 H SER A 41 7.617 -9.321 -4.840 1.00 0.00 H new ATOM 0 HA SER A 41 8.000 -12.172 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.539 -10.658 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.873 -9.793 -4.616 1.00 0.00 H new ATOM 0 HG SER A 41 11.518 -11.350 -5.114 1.00 0.00 H new ATOM 575 N ASN A 42 8.420 -10.546 -2.129 1.00 0.00 N ATOM 576 CA ASN A 42 8.566 -10.714 -0.688 1.00 0.00 C ATOM 577 C ASN A 42 7.442 -11.578 -0.124 1.00 0.00 C ATOM 578 O ASN A 42 6.580 -12.055 -0.863 1.00 0.00 O ATOM 579 CB ASN A 42 8.575 -9.352 0.008 1.00 0.00 C ATOM 580 CG ASN A 42 9.945 -8.701 -0.012 1.00 0.00 C ATOM 581 OD1 ASN A 42 10.696 -8.780 0.961 1.00 0.00 O ATOM 582 ND2 ASN A 42 10.277 -8.054 -1.123 1.00 0.00 N ATOM 0 H ASN A 42 8.279 -9.581 -2.429 1.00 0.00 H new ATOM 0 HA ASN A 42 9.515 -11.216 -0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.856 -8.693 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.248 -9.473 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.186 -7.597 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.623 -8.014 -1.905 1.00 0.00 H new ATOM 589 N LYS A 43 7.457 -11.775 1.190 1.00 0.00 N ATOM 590 CA LYS A 43 6.438 -12.579 1.855 1.00 0.00 C ATOM 591 C LYS A 43 5.393 -11.691 2.521 1.00 0.00 C ATOM 592 O LYS A 43 5.731 -10.760 3.254 1.00 0.00 O ATOM 593 CB LYS A 43 7.083 -13.495 2.897 1.00 0.00 C ATOM 594 CG LYS A 43 6.132 -14.534 3.465 1.00 0.00 C ATOM 595 CD LYS A 43 6.848 -15.493 4.402 1.00 0.00 C ATOM 596 CE LYS A 43 7.438 -16.674 3.647 1.00 0.00 C ATOM 597 NZ LYS A 43 6.430 -17.746 3.419 1.00 0.00 N ATOM 0 H LYS A 43 8.164 -11.389 1.816 1.00 0.00 H new ATOM 0 HA LYS A 43 5.942 -13.189 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.935 -14.003 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.472 -12.886 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.325 -14.035 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.675 -15.094 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.642 -14.964 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.150 -15.855 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.829 -16.333 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.279 -17.080 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.871 -18.533 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.075 -18.089 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.639 -17.366 2.861 1.00 0.00 H new ATOM 611 N ASP A 44 4.123 -11.984 2.264 1.00 0.00 N ATOM 612 CA ASP A 44 3.028 -11.213 2.841 1.00 0.00 C ATOM 613 C ASP A 44 3.369 -9.726 2.875 1.00 0.00 C ATOM 614 O ASP A 44 2.884 -8.988 3.732 1.00 0.00 O ATOM 615 CB ASP A 44 2.715 -11.710 4.253 1.00 0.00 C ATOM 616 CG ASP A 44 1.970 -13.030 4.251 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.570 -14.048 3.848 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.787 -13.045 4.651 1.00 0.00 O ATOM 0 H ASP A 44 3.826 -12.750 1.660 1.00 0.00 H new ATOM 0 HA ASP A 44 2.148 -11.351 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.645 -11.822 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.119 -10.961 4.775 1.00 0.00 H new ATOM 623 N TRP A 45 4.205 -9.295 1.938 1.00 0.00 N ATOM 624 CA TRP A 45 4.611 -7.896 1.861 1.00 0.00 C ATOM 625 C TRP A 45 4.834 -7.473 0.414 1.00 0.00 C ATOM 626 O TRP A 45 5.830 -7.845 -0.205 1.00 0.00 O ATOM 627 CB TRP A 45 5.887 -7.670 2.674 1.00 0.00 C ATOM 628 CG TRP A 45 5.636 -7.520 4.144 1.00 0.00 C ATOM 629 CD1 TRP A 45 6.101 -8.330 5.141 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.859 -6.501 4.781 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.659 -7.874 6.360 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.897 -6.753 6.167 1.00 0.00 C ATOM 633 CE3 TRP A 45 4.137 -5.398 4.317 1.00 0.00 C ATOM 634 CZ2 TRP A 45 4.239 -5.943 7.089 1.00 0.00 C ATOM 635 CZ3 TRP A 45 3.485 -4.595 5.234 1.00 0.00 C ATOM 636 CH2 TRP A 45 3.540 -4.871 6.607 1.00 0.00 C ATOM 0 H TRP A 45 4.615 -9.893 1.221 1.00 0.00 H new ATOM 0 HA TRP A 45 3.809 -7.287 2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.565 -8.508 2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.390 -6.776 2.306 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.724 -9.200 4.993 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.865 -8.302 7.263 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.089 -5.177 3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.279 -6.154 8.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.924 -3.740 4.887 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.020 -4.224 7.298 1.00 0.00 H new ATOM 647 N TRP A 46 3.901 -6.693 -0.120 1.00 0.00 N ATOM 648 CA TRP A 46 3.996 -6.218 -1.496 1.00 0.00 C ATOM 649 C TRP A 46 3.805 -4.707 -1.565 1.00 0.00 C ATOM 650 O TRP A 46 3.146 -4.116 -0.710 1.00 0.00 O ATOM 651 CB TRP A 46 2.955 -6.917 -2.371 1.00 0.00 C ATOM 652 CG TRP A 46 2.772 -8.366 -2.034 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.754 -9.273 -1.754 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.531 -9.075 -1.945 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.198 -10.503 -1.495 1.00 0.00 N ATOM 656 CE2 TRP A 46 1.836 -10.407 -1.605 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.192 -8.713 -2.117 1.00 0.00 C ATOM 658 CZ2 TRP A 46 0.851 -11.376 -1.436 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.784 -9.676 -1.949 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.452 -10.995 -1.610 1.00 0.00 C ATOM 0 H TRP A 46 3.070 -6.376 0.379 1.00 0.00 H new ATOM 0 HA TRP A 46 4.992 -6.456 -1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.999 -6.404 -2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.251 -6.829 -3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.812 -9.056 -1.738 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.716 -11.350 -1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.075 -7.699 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.106 -12.393 -1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.822 -9.408 -2.081 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.239 -11.724 -1.484 1.00 0.00 H new ATOM 671 N TRP A 47 4.384 -4.088 -2.587 1.00 0.00 N ATOM 672 CA TRP A 47 4.276 -2.645 -2.767 1.00 0.00 C ATOM 673 C TRP A 47 2.939 -2.273 -3.399 1.00 0.00 C ATOM 674 O TRP A 47 2.473 -2.938 -4.323 1.00 0.00 O ATOM 675 CB TRP A 47 5.426 -2.131 -3.636 1.00 0.00 C ATOM 676 CG TRP A 47 5.335 -0.665 -3.935 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.627 -0.077 -4.944 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.976 0.396 -3.219 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.790 1.287 -4.898 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.612 1.602 -3.849 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.821 0.445 -2.107 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.065 2.841 -3.403 1.00 0.00 C ATOM 683 CZ3 TRP A 47 7.269 1.675 -1.665 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.891 2.860 -2.312 1.00 0.00 C ATOM 0 H TRP A 47 4.933 -4.563 -3.304 1.00 0.00 H new ATOM 0 HA TRP A 47 4.335 -2.176 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.371 -2.334 -3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.439 -2.686 -4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.028 -0.606 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.367 1.956 -5.541 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.118 -0.462 -1.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.775 3.755 -3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.922 1.725 -0.806 1.00 0.00 H new ATOM 0 HH2 TRP A 47 7.259 3.806 -1.942 1.00 0.00 H new ATOM 695 N GLY A 48 2.327 -1.206 -2.895 1.00 0.00 N ATOM 696 CA GLY A 48 1.049 -0.765 -3.423 1.00 0.00 C ATOM 697 C GLY A 48 1.165 0.513 -4.230 1.00 0.00 C ATOM 698 O GLY A 48 1.987 1.376 -3.921 1.00 0.00 O ATOM 0 H GLY A 48 2.693 -0.639 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.628 -1.550 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.353 -0.609 -2.599 1.00 0.00 H new ATOM 702 N GLN A 49 0.342 0.633 -5.266 1.00 0.00 N ATOM 703 CA GLN A 49 0.358 1.815 -6.120 1.00 0.00 C ATOM 704 C GLN A 49 -1.060 2.287 -6.424 1.00 0.00 C ATOM 705 O GLN A 49 -1.829 1.587 -7.084 1.00 0.00 O ATOM 706 CB GLN A 49 1.099 1.516 -7.425 1.00 0.00 C ATOM 707 CG GLN A 49 0.925 2.593 -8.484 1.00 0.00 C ATOM 708 CD GLN A 49 1.685 2.287 -9.759 1.00 0.00 C ATOM 709 OE1 GLN A 49 1.605 1.180 -10.292 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.430 3.268 -10.255 1.00 0.00 N ATOM 0 H GLN A 49 -0.344 -0.073 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 49 0.879 2.610 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.161 1.397 -7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.746 0.565 -7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.135 2.702 -8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.264 3.548 -8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.467 4.170 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.965 3.119 -11.111 1.00 0.00 H new ATOM 719 N ILE A 50 -1.399 3.476 -5.938 1.00 0.00 N ATOM 720 CA ILE A 50 -2.725 4.041 -6.159 1.00 0.00 C ATOM 721 C ILE A 50 -2.647 5.318 -6.987 1.00 0.00 C ATOM 722 O ILE A 50 -1.622 6.001 -6.999 1.00 0.00 O ATOM 723 CB ILE A 50 -3.434 4.348 -4.827 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.332 3.150 -3.881 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.891 4.712 -5.074 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.119 3.322 -2.600 1.00 0.00 C ATOM 0 H ILE A 50 -0.775 4.067 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.301 3.293 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.941 5.200 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.686 2.258 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.284 2.981 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.379 4.926 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.943 5.592 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.397 3.878 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.000 2.435 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.750 4.195 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.174 3.461 -2.837 1.00 0.00 H new ATOM 738 N ASP A 51 -3.737 5.637 -7.677 1.00 0.00 N ATOM 739 CA ASP A 51 -3.794 6.835 -8.506 1.00 0.00 C ATOM 740 C ASP A 51 -2.933 7.947 -7.914 1.00 0.00 C ATOM 741 O ASP A 51 -1.968 8.395 -8.534 1.00 0.00 O ATOM 742 CB ASP A 51 -5.239 7.314 -8.649 1.00 0.00 C ATOM 743 CG ASP A 51 -6.133 6.273 -9.295 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.176 6.220 -10.543 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.787 5.511 -8.554 1.00 0.00 O ATOM 0 H ASP A 51 -4.593 5.082 -7.678 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.404 6.583 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.634 7.567 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.259 8.226 -9.245 1.00 0.00 H new ATOM 750 N ASP A 52 -3.289 8.388 -6.713 1.00 0.00 N ATOM 751 CA ASP A 52 -2.549 9.448 -6.037 1.00 0.00 C ATOM 752 C ASP A 52 -1.684 8.878 -4.918 1.00 0.00 C ATOM 753 O ASP A 52 -0.525 9.260 -4.762 1.00 0.00 O ATOM 754 CB ASP A 52 -3.514 10.492 -5.472 1.00 0.00 C ATOM 755 CG ASP A 52 -4.691 10.751 -6.392 1.00 0.00 C ATOM 756 OD1 ASP A 52 -4.479 11.335 -7.475 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.824 10.370 -6.028 1.00 0.00 O ATOM 0 H ASP A 52 -4.085 8.028 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.897 9.926 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.882 10.156 -4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.977 11.425 -5.303 1.00 0.00 H new ATOM 762 N GLU A 53 -2.256 7.963 -4.142 1.00 0.00 N ATOM 763 CA GLU A 53 -1.537 7.342 -3.036 1.00 0.00 C ATOM 764 C GLU A 53 -0.528 6.319 -3.549 1.00 0.00 C ATOM 765 O GLU A 53 -0.796 5.595 -4.508 1.00 0.00 O ATOM 766 CB GLU A 53 -2.518 6.670 -2.073 1.00 0.00 C ATOM 767 CG GLU A 53 -3.222 7.643 -1.143 1.00 0.00 C ATOM 768 CD GLU A 53 -4.573 7.134 -0.680 1.00 0.00 C ATOM 769 OE1 GLU A 53 -4.782 5.903 -0.698 1.00 0.00 O ATOM 770 OE2 GLU A 53 -5.421 7.967 -0.299 1.00 0.00 O ATOM 0 H GLU A 53 -3.215 7.635 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.996 8.124 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.266 6.127 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.980 5.934 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.591 7.830 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.353 8.597 -1.653 1.00 0.00 H new ATOM 777 N GLU A 54 0.633 6.265 -2.903 1.00 0.00 N ATOM 778 CA GLU A 54 1.682 5.331 -3.296 1.00 0.00 C ATOM 779 C GLU A 54 2.621 5.046 -2.127 1.00 0.00 C ATOM 780 O GLU A 54 2.972 5.945 -1.364 1.00 0.00 O ATOM 781 CB GLU A 54 2.477 5.890 -4.478 1.00 0.00 C ATOM 782 CG GLU A 54 1.692 5.920 -5.779 1.00 0.00 C ATOM 783 CD GLU A 54 2.508 6.455 -6.940 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.412 7.282 -6.697 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.242 6.048 -8.090 1.00 0.00 O ATOM 0 H GLU A 54 0.871 6.856 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 54 1.208 4.397 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.806 6.901 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.375 5.288 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.348 4.913 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.804 6.538 -5.649 1.00 0.00 H new ATOM 792 N GLY A 55 3.024 3.786 -1.993 1.00 0.00 N ATOM 793 CA GLY A 55 3.917 3.403 -0.915 1.00 0.00 C ATOM 794 C GLY A 55 3.771 1.944 -0.532 1.00 0.00 C ATOM 795 O GLY A 55 3.605 1.082 -1.395 1.00 0.00 O ATOM 0 H GLY A 55 2.748 3.024 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.947 3.595 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.717 4.026 -0.043 1.00 0.00 H new ATOM 799 N TRP A 56 3.835 1.666 0.765 1.00 0.00 N ATOM 800 CA TRP A 56 3.711 0.300 1.261 1.00 0.00 C ATOM 801 C TRP A 56 2.327 0.061 1.855 1.00 0.00 C ATOM 802 O TRP A 56 1.614 1.006 2.193 1.00 0.00 O ATOM 803 CB TRP A 56 4.786 0.017 2.311 1.00 0.00 C ATOM 804 CG TRP A 56 6.104 0.660 2.001 1.00 0.00 C ATOM 805 CD1 TRP A 56 6.381 1.998 1.994 1.00 0.00 C ATOM 806 CD2 TRP A 56 7.322 -0.006 1.650 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.698 2.203 1.660 1.00 0.00 N ATOM 808 CE2 TRP A 56 8.297 0.990 1.446 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.684 -1.346 1.492 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.608 0.685 1.090 1.00 0.00 C ATOM 811 CZ3 TRP A 56 8.985 -1.647 1.138 1.00 0.00 C ATOM 812 CH2 TRP A 56 9.935 -0.636 0.941 1.00 0.00 C ATOM 0 H TRP A 56 3.972 2.368 1.492 1.00 0.00 H new ATOM 0 HA TRP A 56 3.848 -0.380 0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.437 0.370 3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.927 -1.061 2.395 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.670 2.779 2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.155 3.111 1.584 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.960 -2.133 1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.341 1.463 0.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.275 -2.680 1.011 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.945 -0.904 0.666 1.00 0.00 H new ATOM 823 N PHE A 57 1.953 -1.208 1.981 1.00 0.00 N ATOM 824 CA PHE A 57 0.654 -1.571 2.534 1.00 0.00 C ATOM 825 C PHE A 57 0.583 -3.068 2.820 1.00 0.00 C ATOM 826 O PHE A 57 1.206 -3.886 2.142 1.00 0.00 O ATOM 827 CB PHE A 57 -0.465 -1.172 1.569 1.00 0.00 C ATOM 828 CG PHE A 57 -0.620 -2.114 0.409 1.00 0.00 C ATOM 829 CD1 PHE A 57 0.341 -2.172 -0.587 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.728 -2.941 0.316 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.199 -3.037 -1.655 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.874 -3.809 -0.750 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.909 -3.858 -1.736 1.00 0.00 C ATOM 0 H PHE A 57 2.532 -2.002 1.707 1.00 0.00 H new ATOM 0 HA PHE A 57 0.524 -1.033 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.406 -1.124 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.266 -0.170 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.211 -1.534 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.486 -2.907 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.954 -3.071 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.742 -4.448 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.020 -4.537 -2.569 1.00 0.00 H new ATOM 843 N PRO A 58 -0.193 -3.437 3.850 1.00 0.00 N ATOM 844 CA PRO A 58 -0.364 -4.837 4.250 1.00 0.00 C ATOM 845 C PRO A 58 -1.166 -5.638 3.231 1.00 0.00 C ATOM 846 O PRO A 58 -2.197 -5.179 2.740 1.00 0.00 O ATOM 847 CB PRO A 58 -1.128 -4.737 5.573 1.00 0.00 C ATOM 848 CG PRO A 58 -1.851 -3.436 5.495 1.00 0.00 C ATOM 849 CD PRO A 58 -0.965 -2.517 4.702 1.00 0.00 C ATOM 0 HA PRO A 58 0.591 -5.357 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.822 -5.569 5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.449 -4.762 6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.820 -3.557 5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.039 -3.034 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.547 -1.812 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.315 -1.928 5.349 1.00 0.00 H new ATOM 857 N ALA A 59 -0.687 -6.837 2.917 1.00 0.00 N ATOM 858 CA ALA A 59 -1.361 -7.703 1.958 1.00 0.00 C ATOM 859 C ALA A 59 -2.523 -8.445 2.610 1.00 0.00 C ATOM 860 O ALA A 59 -3.637 -8.455 2.089 1.00 0.00 O ATOM 861 CB ALA A 59 -0.374 -8.690 1.353 1.00 0.00 C ATOM 0 H ALA A 59 0.166 -7.231 3.313 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.765 -7.077 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.891 -9.330 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.420 -8.144 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.058 -9.304 2.144 1.00 0.00 H new ATOM 867 N SER A 60 -2.254 -9.068 3.754 1.00 0.00 N ATOM 868 CA SER A 60 -3.276 -9.817 4.475 1.00 0.00 C ATOM 869 C SER A 60 -4.509 -8.954 4.723 1.00 0.00 C ATOM 870 O SER A 60 -5.599 -9.466 4.975 1.00 0.00 O ATOM 871 CB SER A 60 -2.720 -10.326 5.806 1.00 0.00 C ATOM 872 OG SER A 60 -3.671 -11.132 6.481 1.00 0.00 O ATOM 0 H SER A 60 -1.337 -9.068 4.201 1.00 0.00 H new ATOM 0 HA SER A 60 -3.568 -10.669 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.812 -10.902 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.443 -9.480 6.435 1.00 0.00 H new ATOM 0 HG SER A 60 -3.291 -11.446 7.328 1.00 0.00 H new ATOM 878 N PHE A 61 -4.328 -7.639 4.649 1.00 0.00 N ATOM 879 CA PHE A 61 -5.425 -6.703 4.866 1.00 0.00 C ATOM 880 C PHE A 61 -6.312 -6.608 3.628 1.00 0.00 C ATOM 881 O PHE A 61 -7.508 -6.335 3.728 1.00 0.00 O ATOM 882 CB PHE A 61 -4.879 -5.319 5.223 1.00 0.00 C ATOM 883 CG PHE A 61 -4.452 -5.195 6.658 1.00 0.00 C ATOM 884 CD1 PHE A 61 -3.639 -6.155 7.238 1.00 0.00 C ATOM 885 CD2 PHE A 61 -4.862 -4.117 7.425 1.00 0.00 C ATOM 886 CE1 PHE A 61 -3.245 -6.044 8.558 1.00 0.00 C ATOM 887 CE2 PHE A 61 -4.471 -4.000 8.746 1.00 0.00 C ATOM 888 CZ PHE A 61 -3.661 -4.964 9.313 1.00 0.00 C ATOM 0 H PHE A 61 -3.432 -7.198 4.440 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.027 -7.074 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.029 -5.095 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.643 -4.571 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.309 -7.000 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.494 -3.359 6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.613 -6.800 8.999 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.799 -3.155 9.334 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.353 -4.874 10.344 1.00 0.00 H new ATOM 898 N VAL A 62 -5.716 -6.836 2.462 1.00 0.00 N ATOM 899 CA VAL A 62 -6.451 -6.777 1.204 1.00 0.00 C ATOM 900 C VAL A 62 -6.477 -8.139 0.519 1.00 0.00 C ATOM 901 O VAL A 62 -5.594 -8.970 0.733 1.00 0.00 O ATOM 902 CB VAL A 62 -5.837 -5.742 0.243 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.787 -4.370 0.897 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.449 -6.183 -0.198 1.00 0.00 C ATOM 0 H VAL A 62 -4.727 -7.063 2.362 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.470 -6.476 1.446 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.470 -5.673 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.350 -3.652 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.797 -4.054 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.178 -4.419 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.030 -5.440 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.804 -6.282 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.518 -7.143 -0.709 1.00 0.00 H new ATOM 914 N ARG A 63 -7.494 -8.360 -0.307 1.00 0.00 N ATOM 915 CA ARG A 63 -7.636 -9.622 -1.025 1.00 0.00 C ATOM 916 C ARG A 63 -7.393 -9.428 -2.518 1.00 0.00 C ATOM 917 O ARG A 63 -7.668 -8.362 -3.070 1.00 0.00 O ATOM 918 CB ARG A 63 -9.029 -10.209 -0.796 1.00 0.00 C ATOM 919 CG ARG A 63 -10.158 -9.238 -1.102 1.00 0.00 C ATOM 920 CD ARG A 63 -11.518 -9.864 -0.839 1.00 0.00 C ATOM 921 NE ARG A 63 -11.993 -10.641 -1.981 1.00 0.00 N ATOM 922 CZ ARG A 63 -13.213 -11.161 -2.061 1.00 0.00 C ATOM 923 NH1 ARG A 63 -14.077 -10.987 -1.070 1.00 0.00 N ATOM 924 NH2 ARG A 63 -13.571 -11.855 -3.133 1.00 0.00 N ATOM 0 H ARG A 63 -8.232 -7.682 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.889 -10.316 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.146 -11.097 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.111 -10.533 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.044 -8.342 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.096 -8.923 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.457 -10.509 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.239 -9.080 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.353 -10.793 -2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.805 -10.453 -0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.013 -11.387 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.909 -11.990 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.508 -12.254 -3.193 1.00 0.00 H new ATOM 938 N LEU A 64 -6.875 -10.465 -3.167 1.00 0.00 N ATOM 939 CA LEU A 64 -6.594 -10.410 -4.598 1.00 0.00 C ATOM 940 C LEU A 64 -7.883 -10.493 -5.410 1.00 0.00 C ATOM 941 O LEU A 64 -8.918 -10.929 -4.906 1.00 0.00 O ATOM 942 CB LEU A 64 -5.652 -11.547 -4.997 1.00 0.00 C ATOM 943 CG LEU A 64 -4.392 -11.705 -4.146 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.763 -13.071 -4.371 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.395 -10.598 -4.460 1.00 0.00 C ATOM 0 H LEU A 64 -6.641 -11.354 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.113 -9.456 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.210 -12.483 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.350 -11.395 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.674 -11.627 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.867 -13.165 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.475 -13.849 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.495 -13.180 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.504 -10.726 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.119 -10.645 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.847 -9.630 -4.246 1.00 0.00 H new ATOM 957 N TRP A 65 -7.811 -10.073 -6.668 1.00 0.00 N ATOM 958 CA TRP A 65 -8.972 -10.103 -7.550 1.00 0.00 C ATOM 959 C TRP A 65 -9.153 -11.485 -8.167 1.00 0.00 C ATOM 960 O TRP A 65 -10.274 -11.977 -8.295 1.00 0.00 O ATOM 961 CB TRP A 65 -8.826 -9.054 -8.654 1.00 0.00 C ATOM 962 CG TRP A 65 -9.299 -7.691 -8.245 1.00 0.00 C ATOM 963 CD1 TRP A 65 -9.342 -7.185 -6.977 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.798 -6.663 -9.107 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.838 -5.904 -7.000 1.00 0.00 N ATOM 966 CE2 TRP A 65 -10.124 -5.560 -8.295 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.999 -6.566 -10.487 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.641 -4.377 -8.817 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.512 -5.392 -11.004 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.828 -4.310 -10.171 1.00 0.00 C ATOM 0 H TRP A 65 -6.962 -9.708 -7.100 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.855 -9.874 -6.954 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.779 -8.993 -8.951 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.388 -9.378 -9.530 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -9.032 -7.714 -6.088 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.972 -5.306 -6.185 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -9.758 -7.394 -11.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.886 -3.543 -8.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.672 -5.307 -12.069 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.227 -3.406 -10.606 1.00 0.00 H new ATOM 981 N VAL A 66 -8.042 -12.109 -8.546 1.00 0.00 N ATOM 982 CA VAL A 66 -8.078 -13.436 -9.148 1.00 0.00 C ATOM 983 C VAL A 66 -8.200 -14.520 -8.083 1.00 0.00 C ATOM 984 O VAL A 66 -7.403 -14.578 -7.148 1.00 0.00 O ATOM 985 CB VAL A 66 -6.819 -13.704 -9.995 1.00 0.00 C ATOM 986 CG1 VAL A 66 -5.589 -13.805 -9.105 1.00 0.00 C ATOM 987 CG2 VAL A 66 -6.993 -14.967 -10.824 1.00 0.00 C ATOM 0 H VAL A 66 -7.106 -11.716 -8.447 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.955 -13.465 -9.795 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.676 -12.866 -10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.709 -13.994 -9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.456 -12.870 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.719 -14.623 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.094 -15.141 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.161 -15.816 -10.162 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.849 -14.851 -11.489 1.00 0.00 H new ATOM 997 N ASN A 67 -9.205 -15.378 -8.231 1.00 0.00 N ATOM 998 CA ASN A 67 -9.432 -16.461 -7.281 1.00 0.00 C ATOM 999 C ASN A 67 -8.191 -17.339 -7.151 1.00 0.00 C ATOM 1000 O ASN A 67 -7.439 -17.512 -8.109 1.00 0.00 O ATOM 1001 CB ASN A 67 -10.627 -17.309 -7.719 1.00 0.00 C ATOM 1002 CG ASN A 67 -11.300 -18.005 -6.552 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -11.763 -17.358 -5.612 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -11.358 -19.331 -6.607 1.00 0.00 N ATOM 0 H ASN A 67 -9.875 -15.344 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.646 -16.019 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.353 -16.674 -8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.295 -18.055 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.799 -19.854 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.961 -19.826 -7.406 1.00 0.00 H new ATOM 1011 N GLN A 68 -7.985 -17.890 -5.959 1.00 0.00 N ATOM 1012 CA GLN A 68 -6.836 -18.750 -5.704 1.00 0.00 C ATOM 1013 C GLN A 68 -7.159 -19.788 -4.633 1.00 0.00 C ATOM 1014 O GLN A 68 -7.334 -19.451 -3.463 1.00 0.00 O ATOM 1015 CB GLN A 68 -5.631 -17.913 -5.271 1.00 0.00 C ATOM 1016 CG GLN A 68 -4.310 -18.660 -5.352 1.00 0.00 C ATOM 1017 CD GLN A 68 -3.118 -17.772 -5.051 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -3.145 -16.975 -4.113 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -2.064 -17.906 -5.847 1.00 0.00 N ATOM 0 H GLN A 68 -8.599 -17.756 -5.155 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.594 -19.272 -6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.574 -17.022 -5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.784 -17.573 -4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.324 -19.493 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.198 -19.086 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.086 -18.580 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.233 -17.335 -5.693 1.00 0.00 H new ATOM 1028 N GLU A 69 -7.238 -21.050 -5.044 1.00 0.00 N ATOM 1029 CA GLU A 69 -7.542 -22.135 -4.119 1.00 0.00 C ATOM 1030 C GLU A 69 -8.551 -21.686 -3.065 1.00 0.00 C ATOM 1031 O GLU A 69 -8.419 -22.014 -1.886 1.00 0.00 O ATOM 1032 CB GLU A 69 -6.263 -22.629 -3.440 1.00 0.00 C ATOM 1033 CG GLU A 69 -5.201 -23.107 -4.415 1.00 0.00 C ATOM 1034 CD GLU A 69 -3.854 -23.320 -3.753 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -3.657 -24.388 -3.136 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -2.996 -22.417 -3.851 1.00 0.00 O ATOM 0 H GLU A 69 -7.096 -21.346 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.981 -22.953 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.850 -21.824 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.514 -23.444 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.528 -24.040 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.096 -22.377 -5.218 1.00 0.00 H new ATOM 1043 N ASP A 70 -9.556 -20.935 -3.500 1.00 0.00 N ATOM 1044 CA ASP A 70 -10.587 -20.440 -2.595 1.00 0.00 C ATOM 1045 C ASP A 70 -11.152 -21.573 -1.744 1.00 0.00 C ATOM 1046 O ASP A 70 -11.482 -22.642 -2.258 1.00 0.00 O ATOM 1047 CB ASP A 70 -11.712 -19.770 -3.387 1.00 0.00 C ATOM 1048 CG ASP A 70 -12.844 -19.297 -2.496 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -12.677 -18.255 -1.829 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -13.896 -19.968 -2.467 1.00 0.00 O ATOM 0 H ASP A 70 -9.679 -20.655 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.132 -19.704 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.308 -18.921 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.102 -20.472 -4.124 1.00 0.00 H new ATOM 1055 N GLU A 71 -11.260 -21.332 -0.442 1.00 0.00 N ATOM 1056 CA GLU A 71 -11.784 -22.333 0.480 1.00 0.00 C ATOM 1057 C GLU A 71 -13.279 -22.547 0.259 1.00 0.00 C ATOM 1058 O GLU A 71 -14.054 -21.591 0.213 1.00 0.00 O ATOM 1059 CB GLU A 71 -11.526 -21.911 1.927 1.00 0.00 C ATOM 1060 CG GLU A 71 -11.834 -22.999 2.943 1.00 0.00 C ATOM 1061 CD GLU A 71 -11.722 -22.510 4.374 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -12.714 -21.956 4.891 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -10.641 -22.682 4.976 1.00 0.00 O ATOM 0 H GLU A 71 -10.992 -20.452 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.268 -23.273 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.482 -21.615 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.130 -21.033 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.841 -23.377 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.150 -23.834 2.794 1.00 0.00 H new ATOM 1070 N VAL A 72 -13.677 -23.808 0.124 1.00 0.00 N ATOM 1071 CA VAL A 72 -15.078 -24.148 -0.091 1.00 0.00 C ATOM 1072 C VAL A 72 -15.951 -23.628 1.046 1.00 0.00 C ATOM 1073 O VAL A 72 -15.504 -23.531 2.188 1.00 0.00 O ATOM 1074 CB VAL A 72 -15.273 -25.671 -0.219 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -14.401 -26.407 0.787 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -16.738 -26.037 -0.036 1.00 0.00 C ATOM 0 H VAL A 72 -13.049 -24.611 0.160 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.380 -23.671 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.968 -25.977 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.552 -27.481 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.353 -26.168 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.672 -26.100 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -16.858 -27.116 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -17.072 -25.719 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -17.336 -25.538 -0.799 1.00 0.00 H new ATOM 1086 N GLU A 73 -17.197 -23.296 0.724 1.00 0.00 N ATOM 1087 CA GLU A 73 -18.132 -22.786 1.720 1.00 0.00 C ATOM 1088 C GLU A 73 -18.320 -23.790 2.854 1.00 0.00 C ATOM 1089 O GLU A 73 -18.881 -24.867 2.656 1.00 0.00 O ATOM 1090 CB GLU A 73 -19.482 -22.474 1.071 1.00 0.00 C ATOM 1091 CG GLU A 73 -20.167 -23.693 0.475 1.00 0.00 C ATOM 1092 CD GLU A 73 -21.318 -23.325 -0.441 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -21.053 -22.820 -1.552 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -22.483 -23.542 -0.048 1.00 0.00 O ATOM 0 H GLU A 73 -17.582 -23.371 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.716 -21.868 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -20.139 -22.027 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -19.336 -21.730 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -19.437 -24.279 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -20.537 -24.327 1.280 1.00 0.00 H new ATOM 1101 N GLU A 74 -17.846 -23.427 4.042 1.00 0.00 N ATOM 1102 CA GLU A 74 -17.961 -24.296 5.207 1.00 0.00 C ATOM 1103 C GLU A 74 -19.422 -24.485 5.603 1.00 0.00 C ATOM 1104 O GLU A 74 -20.212 -23.543 5.573 1.00 0.00 O ATOM 1105 CB GLU A 74 -17.173 -23.715 6.384 1.00 0.00 C ATOM 1106 CG GLU A 74 -15.704 -23.480 6.076 1.00 0.00 C ATOM 1107 CD GLU A 74 -14.995 -22.709 7.172 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -15.613 -21.787 7.746 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -13.821 -23.027 7.457 1.00 0.00 O ATOM 0 H GLU A 74 -17.379 -22.538 4.223 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.545 -25.269 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.628 -22.771 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.253 -24.393 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.208 -24.440 5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.616 -22.933 5.137 1.00 0.00 H new ATOM 1116 N GLY A 75 -19.775 -25.713 5.974 1.00 0.00 N ATOM 1117 CA GLY A 75 -21.140 -26.005 6.370 1.00 0.00 C ATOM 1118 C GLY A 75 -21.790 -24.850 7.106 1.00 0.00 C ATOM 1119 O GLY A 75 -22.449 -24.009 6.496 1.00 0.00 O ATOM 0 H GLY A 75 -19.140 -26.510 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.729 -26.245 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.149 -26.889 7.008 1.00 0.00 H new ATOM 1123 N SER A 76 -21.605 -24.810 8.422 1.00 0.00 N ATOM 1124 CA SER A 76 -22.183 -23.753 9.243 1.00 0.00 C ATOM 1125 C SER A 76 -23.641 -23.508 8.866 1.00 0.00 C ATOM 1126 O SER A 76 -24.116 -22.373 8.884 1.00 0.00 O ATOM 1127 CB SER A 76 -21.380 -22.460 9.087 1.00 0.00 C ATOM 1128 OG SER A 76 -21.641 -21.566 10.155 1.00 0.00 O ATOM 0 H SER A 76 -21.059 -25.497 8.942 1.00 0.00 H new ATOM 0 HA SER A 76 -22.144 -24.073 10.284 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.315 -22.691 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.632 -21.983 8.140 1.00 0.00 H new ATOM 0 HG SER A 76 -22.607 -21.416 10.227 1.00 0.00 H new ATOM 1134 N GLY A 77 -24.346 -24.582 8.524 1.00 0.00 N ATOM 1135 CA GLY A 77 -25.742 -24.464 8.147 1.00 0.00 C ATOM 1136 C GLY A 77 -26.620 -24.028 9.303 1.00 0.00 C ATOM 1137 O GLY A 77 -26.146 -23.477 10.297 1.00 0.00 O ATOM 0 H GLY A 77 -23.975 -25.532 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -25.836 -23.746 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -26.095 -25.423 7.768 1.00 0.00 H new ATOM 1141 N PRO A 78 -27.933 -24.273 9.180 1.00 0.00 N ATOM 1142 CA PRO A 78 -28.907 -23.909 10.213 1.00 0.00 C ATOM 1143 C PRO A 78 -28.766 -24.762 11.469 1.00 0.00 C ATOM 1144 O PRO A 78 -28.033 -25.751 11.480 1.00 0.00 O ATOM 1145 CB PRO A 78 -30.255 -24.170 9.538 1.00 0.00 C ATOM 1146 CG PRO A 78 -29.966 -25.201 8.502 1.00 0.00 C ATOM 1147 CD PRO A 78 -28.568 -24.925 8.022 1.00 0.00 C ATOM 0 HA PRO A 78 -28.777 -22.881 10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -30.995 -24.526 10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -30.656 -23.261 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -30.045 -26.205 8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -30.680 -25.140 7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -28.050 -25.843 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.565 -24.278 7.145 1.00 0.00 H new ATOM 1155 N SER A 79 -29.471 -24.372 12.526 1.00 0.00 N ATOM 1156 CA SER A 79 -29.422 -25.099 13.789 1.00 0.00 C ATOM 1157 C SER A 79 -30.628 -24.761 14.659 1.00 0.00 C ATOM 1158 O SER A 79 -31.389 -23.842 14.354 1.00 0.00 O ATOM 1159 CB SER A 79 -28.130 -24.772 14.540 1.00 0.00 C ATOM 1160 OG SER A 79 -28.029 -25.527 15.735 1.00 0.00 O ATOM 0 H SER A 79 -30.083 -23.556 12.533 1.00 0.00 H new ATOM 0 HA SER A 79 -29.445 -26.166 13.566 1.00 0.00 H new ATOM 0 HB2 SER A 79 -27.272 -24.980 13.901 1.00 0.00 H new ATOM 0 HB3 SER A 79 -28.102 -23.708 14.775 1.00 0.00 H new ATOM 0 HG SER A 79 -27.194 -25.301 16.195 1.00 0.00 H new ATOM 1166 N SER A 80 -30.797 -25.510 15.744 1.00 0.00 N ATOM 1167 CA SER A 80 -31.913 -25.293 16.657 1.00 0.00 C ATOM 1168 C SER A 80 -31.879 -23.879 17.229 1.00 0.00 C ATOM 1169 O SER A 80 -30.821 -23.256 17.314 1.00 0.00 O ATOM 1170 CB SER A 80 -31.876 -26.316 17.793 1.00 0.00 C ATOM 1171 OG SER A 80 -32.066 -27.632 17.301 1.00 0.00 O ATOM 0 H SER A 80 -30.175 -26.273 16.012 1.00 0.00 H new ATOM 0 HA SER A 80 -32.839 -25.417 16.096 1.00 0.00 H new ATOM 0 HB2 SER A 80 -30.920 -26.253 18.312 1.00 0.00 H new ATOM 0 HB3 SER A 80 -32.651 -26.082 18.523 1.00 0.00 H new ATOM 0 HG SER A 80 -32.036 -28.267 18.047 1.00 0.00 H new ATOM 1177 N GLY A 81 -33.047 -23.378 17.621 1.00 0.00 N ATOM 1178 CA GLY A 81 -33.130 -22.041 18.181 1.00 0.00 C ATOM 1179 C GLY A 81 -33.619 -22.043 19.615 1.00 0.00 C ATOM 1180 O GLY A 81 -34.551 -22.770 19.960 1.00 0.00 O ATOM 0 H GLY A 81 -33.936 -23.874 17.561 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -32.148 -21.570 18.136 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -33.802 -21.436 17.572 1.00 0.00 H new TER 1184 GLY A 81